id	sid	tid	token	lemma	pos
eurjchem-2498	1	1	comparative	comparative	ADJ
eurjchem-2498	1	2	study	study	NOUN
eurjchem-2498	1	3	of	of	ADP
eurjchem-2498	1	4	4-((4	4-((4	PROPN
eurjchem-2498	1	5	-	-	PUNCT
eurjchem-2498	1	6	aminophenyl)diazenyl)-2-((2	aminophenyl)diazenyl)-2-((2	NOUN
eurjchem-2498	1	7	-	-	PUNCT
eurjchem-2498	1	8	phenylhydrazono)methyl)phenol	phenylhydrazono)methyl)phenol	NOUN
eurjchem-2498	1	9	and	and	CCONJ
eurjchem-2498	1	10	n-(4-((4	n-(4-((4	NOUN
eurjchem-2498	1	11	-	-	PUNCT
eurjchem-2498	1	12	hydroxy-3-((2	hydroxy-3-((2	NOUN
eurjchem-2498	1	13	-	-	ADJ
eurjchem-2498	1	14	phenylhydrazono)methyl)phenyl)diazenyl)phenyl)acetamide	phenylhydrazono)methyl)phenyl)diazenyl)phenyl)acetamide	ADJ
eurjchem-2498	1	15	dft	dft	PROPN
eurjchem-2498	1	16	method	method	PROPN
eurjchem-2498	1	17	european	european	PROPN
eurjchem-2498	1	18	journal	journal	PROPN
eurjchem-2498	1	19	of	of	ADP
eurjchem-2498	1	20	chemistry	chemistry	NOUN
eurjchem-2498	1	21	15	15	NUM
eurjchem-2498	1	22	(	(	PUNCT
eurjchem-2498	1	23	1	1	NUM
eurjchem-2498	1	24	)	)	PUNCT
eurjchem-2498	1	25	(	(	PUNCT
eurjchem-2498	1	26	2024	2024	NUM
eurjchem-2498	1	27	)	)	PUNCT
eurjchem-2498	1	28	50	50	NUM
eurjchem-2498	1	29	-	-	SYM
eurjchem-2498	1	30	70	70	NUM
eurjchem-2498	1	31	european	european	ADJ
eurjchem-2498	1	32	journal	journal	NOUN
eurjchem-2498	1	33	of	of	ADP
eurjchem-2498	1	34	chemistry	chemistry	NOUN
eurjchem-2498	1	35	issn	issn	VERB
eurjchem-2498	1	36	2153	2153	NUM
eurjchem-2498	1	37	-	-	SYM
eurjchem-2498	1	38	2249	2249	NUM
eurjchem-2498	1	39	(	(	PUNCT
eurjchem-2498	1	40	print	print	NOUN
eurjchem-2498	1	41	)	)	PUNCT
eurjchem-2498	1	42	/	/	PUNCT
eurjchem-2498	1	43	issn	issn	PROPN
eurjchem-2498	1	44	2153	2153	NUM
eurjchem-2498	1	45	-	-	SYM
eurjchem-2498	1	46	2257	2257	NUM
eurjchem-2498	1	47	(	(	PUNCT
eurjchem-2498	1	48	online	online	ADJ
eurjchem-2498	1	49	)	)	PUNCT
eurjchem-2498	1	50	–	–	PUNCT
eurjchem-2498	2	1	copyright	copyright	NOUN
eurjchem-2498	2	2	©	©	PROPN
eurjchem-2498	2	3	2024	2024	NUM
eurjchem-2498	2	4	the	the	DET
eurjchem-2498	2	5	authors	author	NOUN
eurjchem-2498	2	6	–	–	PUNCT
eurjchem-2498	2	7	atlanta	atlanta	PROPN
eurjchem-2498	2	8	publishing	publishing	PROPN
eurjchem-2498	2	9	house	house	PROPN
eurjchem-2498	2	10	llc	llc	PROPN
eurjchem-2498	2	11	–	–	PUNCT
eurjchem-2498	2	12	printed	print	VERB
eurjchem-2498	2	13	in	in	ADP
eurjchem-2498	2	14	the	the	DET
eurjchem-2498	2	15	usa	usa	PROPN
eurjchem-2498	2	16	.	.	PUNCT
eurjchem-2498	3	1	this	this	DET
eurjchem-2498	3	2	work	work	NOUN
eurjchem-2498	3	3	is	be	AUX
eurjchem-2498	3	4	published	publish	VERB
eurjchem-2498	3	5	and	and	CCONJ
eurjchem-2498	3	6	licensed	license	VERB
eurjchem-2498	3	7	by	by	ADP
eurjchem-2498	3	8	atlanta	atlanta	PROPN
eurjchem-2498	3	9	publishing	publishing	PROPN
eurjchem-2498	3	10	house	house	PROPN
eurjchem-2498	3	11	llc	llc	PROPN
eurjchem-2498	3	12	–	–	PUNCT
eurjchem-2498	3	13	cc	cc	PROPN
eurjchem-2498	3	14	by	by	ADP
eurjchem-2498	3	15	nc	nc	PROPN
eurjchem-2498	3	16	–	–	PUNCT
eurjchem-2498	3	17	some	some	DET
eurjchem-2498	3	18	rights	right	NOUN
eurjchem-2498	3	19	reserved	reserve	VERB
eurjchem-2498	3	20	.	.	PUNCT
eurjchem-2498	4	1	https://dx.doi.org/10.5155/eurjchem.15.1.50-70.2498	https://dx.doi.org/10.5155/eurjchem.15.1.50-70.2498	PROPN
eurjchem-2498	4	2	european	european	PROPN
eurjchem-2498	4	3	journal	journal	PROPN
eurjchem-2498	4	4	of	of	ADP
eurjchem-2498	4	5	chemistry	chemistry	NOUN
eurjchem-2498	4	6	view	view	NOUN
eurjchem-2498	4	7	journal	journal	PROPN
eurjchem-2498	4	8	online	online	PROPN
eurjchem-2498	4	9	view	view	NOUN
eurjchem-2498	4	10	article	article	NOUN
eurjchem-2498	4	11	online	online	PROPN
eurjchem-2498	4	12	comparative	comparative	ADJ
eurjchem-2498	4	13	study	study	NOUN
eurjchem-2498	4	14	of	of	ADP
eurjchem-2498	4	15	4-((4	4-((4	PROPN
eurjchem-2498	4	16	-	-	PUNCT
eurjchem-2498	4	17	aminophenyl)diazenyl)-2-((2	aminophenyl)diazenyl)-2-((2	NOUN
eurjchem-2498	4	18	-	-	PUNCT
eurjchem-2498	4	19	phenylhydrazono	phenylhydrazono	NOUN
eurjchem-2498	4	20	)	)	PUNCT
eurjchem-2498	4	21	methyl)phenol	methyl)phenol	PROPN
eurjchem-2498	4	22	and	and	CCONJ
eurjchem-2498	4	23	n-(4-((4	n-(4-((4	PROPN
eurjchem-2498	4	24	-	-	PUNCT
eurjchem-2498	4	25	hydroxy-3-((2	hydroxy-3-((2	PROPN
eurjchem-2498	4	26	-	-	PUNCT
eurjchem-2498	4	27	phenylhydrazono)methyl)phenyl	phenylhydrazono)methyl)phenyl	NOUN
eurjchem-2498	4	28	)	)	PUNCT
eurjchem-2498	4	29	diazenyl)phenyl)acetamide	diazenyl)phenyl)acetamide	NOUN
eurjchem-2498	4	30	dft	dft	PROPN
eurjchem-2498	4	31	method	method	PROPN
eurjchem-2498	4	32	richard	richard	PROPN
eurjchem-2498	4	33	rajkumar	rajkumar	PROPN
eurjchem-2498	4	34	siluvairaj	siluvairaj	VERB
eurjchem-2498	4	35	1	1	NUM
eurjchem-2498	4	36	,	,	PUNCT
eurjchem-2498	4	37	vallal	vallal	NOUN
eurjchem-2498	4	38	perumal	perumal	NOUN
eurjchem-2498	4	39	govindasamy	govindasamy	NOUN
eurjchem-2498	4	40	2	2	NUM
eurjchem-2498	4	41	,	,	PUNCT
eurjchem-2498	4	42	rajarajan	rajarajan	ADJ
eurjchem-2498	4	43	govindasamy	govindasamy	NOUN
eurjchem-2498	4	44	2	2	NUM
eurjchem-2498	4	45	,	,	PUNCT
eurjchem-2498	4	46	periyanayagasamy	periyanayagasamy	ADJ
eurjchem-2498	4	47	vanathu	vanathu	NOUN
eurjchem-2498	4	48	chinnappan	chinnappan	PROPN
eurjchem-2498	4	49	1	1	NUM
eurjchem-2498	4	50	and	and	CCONJ
eurjchem-2498	4	51	thanikachalam	thanikachalam	PROPN
eurjchem-2498	4	52	venugopal	venugopal	PROPN
eurjchem-2498	4	53	2	2	NUM
eurjchem-2498	4	54	,	,	PUNCT
eurjchem-2498	4	55	*	*	PROPN
eurjchem-2498	4	56	1	1	NUM
eurjchem-2498	4	57	department	department	NOUN
eurjchem-2498	4	58	of	of	ADP
eurjchem-2498	4	59	chemistry	chemistry	PROPN
eurjchem-2498	4	60	,	,	PUNCT
eurjchem-2498	4	61	st	st	PROPN
eurjchem-2498	4	62	.	.	PROPN
eurjchem-2498	4	63	joseph	joseph	PROPN
eurjchem-2498	4	64	’s	’s	PART
eurjchem-2498	4	65	college	college	PROPN
eurjchem-2498	4	66	of	of	ADP
eurjchem-2498	4	67	arts	art	NOUN
eurjchem-2498	4	68	and	and	CCONJ
eurjchem-2498	4	69	science	science	NOUN
eurjchem-2498	4	70	,	,	PUNCT
eurjchem-2498	4	71	cuddalore-607001	cuddalore-607001	ADJ
eurjchem-2498	4	72	,	,	PUNCT
eurjchem-2498	4	73	tamilnadu	tamilnadu	ADJ
eurjchem-2498	4	74	,	,	PUNCT
eurjchem-2498	4	75	india	india	PROPN
eurjchem-2498	4	76	2	2	NUM
eurjchem-2498	4	77	department	department	NOUN
eurjchem-2498	4	78	of	of	ADP
eurjchem-2498	4	79	chemistry	chemistry	PROPN
eurjchem-2498	4	80	,	,	PUNCT
eurjchem-2498	4	81	annamalai	annamalai	PROPN
eurjchem-2498	4	82	university	university	PROPN
eurjchem-2498	4	83	,	,	PUNCT
eurjchem-2498	4	84	annamalainagar-608002	annamalainagar-608002	NOUN
eurjchem-2498	4	85	,	,	PUNCT
eurjchem-2498	4	86	tamilnadu	tamilnadu	NOUN
eurjchem-2498	4	87	,	,	PUNCT
eurjchem-2498	4	88	india	india	PROPN
eurjchem-2498	4	89	*	*	PUNCT
eurjchem-2498	4	90	corresponding	correspond	VERB
eurjchem-2498	4	91	author	author	NOUN
eurjchem-2498	4	92	at	at	ADP
eurjchem-2498	4	93	:	:	PUNCT
eurjchem-2498	4	94	department	department	NOUN
eurjchem-2498	4	95	of	of	ADP
eurjchem-2498	4	96	chemistry	chemistry	PROPN
eurjchem-2498	4	97	,	,	PUNCT
eurjchem-2498	4	98	annamalai	annamalai	PROPN
eurjchem-2498	4	99	university	university	PROPN
eurjchem-2498	4	100	,	,	PUNCT
eurjchem-2498	4	101	annamalainagar-608002	annamalainagar-608002	NOUN
eurjchem-2498	4	102	,	,	PUNCT
eurjchem-2498	4	103	tamilnadu	tamilnadu	NOUN
eurjchem-2498	4	104	,	,	PUNCT
eurjchem-2498	4	105	india	india	PROPN
eurjchem-2498	4	106	.	.	PUNCT
eurjchem-2498	5	1	e	e	X
eurjchem-2498	5	2	-	-	NOUN
eurjchem-2498	5	3	mail	mail	NOUN
eurjchem-2498	5	4	:	:	PUNCT
eurjchem-2498	5	5	pvta1998@yahoo.co.in	pvta1998@yahoo.co.in	PROPN
eurjchem-2498	5	6	(	(	PUNCT
eurjchem-2498	5	7	t.	t.	NOUN
eurjchem-2498	5	8	venugopal	venugopal	PROPN
eurjchem-2498	5	9	)	)	PUNCT
eurjchem-2498	5	10	.	.	PUNCT
eurjchem-2498	6	1	10.5155	10.5155	NUM
eurjchem-2498	6	2	/	/	SYM
eurjchem-2498	6	3	eurjchem.15.1.50	eurjchem.15.1.50	PROPN
eurjchem-2498	6	4	-	-	SYM
eurjchem-2498	6	5	70.2498	70.2498	NUM
eurjchem-2498	6	6	received	receive	VERB
eurjchem-2498	6	7	:	:	PUNCT
eurjchem-2498	6	8	31	31	NUM
eurjchem-2498	6	9	october	october	PROPN
eurjchem-2498	6	10	2023	2023	NUM
eurjchem-2498	6	11	received	receive	VERB
eurjchem-2498	6	12	in	in	ADP
eurjchem-2498	6	13	revised	revise	VERB
eurjchem-2498	6	14	form	form	NOUN
eurjchem-2498	6	15	:	:	PUNCT
eurjchem-2498	6	16	09	09	NUM
eurjchem-2498	6	17	january	january	NOUN
eurjchem-2498	6	18	2024	2024	NUM
eurjchem-2498	6	19	accepted	accept	VERB
eurjchem-2498	6	20	:	:	PUNCT
eurjchem-2498	6	21	06	06	NUM
eurjchem-2498	6	22	february	february	PROPN
eurjchem-2498	6	23	2024	2024	NUM
eurjchem-2498	6	24	published	publish	VERB
eurjchem-2498	6	25	online	online	ADV
eurjchem-2498	6	26	:	:	PUNCT
eurjchem-2498	6	27	31	31	NUM
eurjchem-2498	6	28	march	march	NOUN
eurjchem-2498	6	29	2024	2024	NUM
eurjchem-2498	6	30	printed	print	VERB
eurjchem-2498	6	31	:	:	PUNCT
eurjchem-2498	6	32	31	31	NUM
eurjchem-2498	6	33	march	march	NOUN
eurjchem-2498	6	34	2024	2024	NUM
eurjchem-2498	6	35	theoretical	theoretical	ADJ
eurjchem-2498	6	36	calculation	calculation	NOUN
eurjchem-2498	6	37	of	of	ADP
eurjchem-2498	6	38	4-((4	4-((4	NUM
eurjchem-2498	6	39	-	-	PUNCT
eurjchem-2498	6	40	aminophenyl)diazenyl)-2-((2	aminophenyl)diazenyl)-2-((2	NOUN
eurjchem-2498	6	41	-	-	PUNCT
eurjchem-2498	6	42	phenylhydrazono)methyl	phenylhydrazono)methyl	NOUN
eurjchem-2498	6	43	)	)	PUNCT
eurjchem-2498	6	44	phenol	phenol	NOUN
eurjchem-2498	6	45	(	(	PUNCT
eurjchem-2498	6	46	1	1	NUM
eurjchem-2498	6	47	)	)	PUNCT
eurjchem-2498	6	48	and	and	CCONJ
eurjchem-2498	6	49	n-(4-((4	n-(4-((4	PROPN
eurjchem-2498	6	50	-	-	PUNCT
eurjchem-2498	6	51	hydroxy-3-((2	hydroxy-3-((2	NOUN
eurjchem-2498	6	52	-	-	PUNCT
eurjchem-2498	6	53	phenylhydrazono)methyl)phenyl)diazenyl)phenyl	phenylhydrazono)methyl)phenyl)diazenyl)phenyl	ADJ
eurjchem-2498	6	54	)	)	PUNCT
eurjchem-2498	6	55	acetamide	acetamide	NOUN
eurjchem-2498	6	56	(	(	PUNCT
eurjchem-2498	6	57	2	2	X
eurjchem-2498	6	58	)	)	PUNCT
eurjchem-2498	6	59	was	be	AUX
eurjchem-2498	6	60	studied	study	VERB
eurjchem-2498	6	61	by	by	ADP
eurjchem-2498	6	62	dft	dft	PROPN
eurjchem-2498	6	63	/	/	SYM
eurjchem-2498	6	64	b3lyp/6	b3lyp/6	PROPN
eurjchem-2498	6	65	-	-	NOUN
eurjchem-2498	6	66	311+g(d	311+g(d	PROPN
eurjchem-2498	6	67	,	,	PUNCT
eurjchem-2498	6	68	p	p	NOUN
eurjchem-2498	6	69	)	)	PUNCT
eurjchem-2498	6	70	basis	basis	NOUN
eurjchem-2498	6	71	set	set	NOUN
eurjchem-2498	6	72	.	.	PUNCT
eurjchem-2498	7	1	the	the	DET
eurjchem-2498	7	2	calculated	calculated	ADJ
eurjchem-2498	7	3	values	value	NOUN
eurjchem-2498	7	4	of	of	ADP
eurjchem-2498	7	5	geometric	geometric	ADJ
eurjchem-2498	7	6	structural	structural	ADJ
eurjchem-2498	7	7	parameters	parameter	NOUN
eurjchem-2498	7	8	,	,	PUNCT
eurjchem-2498	7	9	fourier	fourier	NOUN
eurjchem-2498	7	10	transform	transform	VERB
eurjchem-2498	7	11	infrared	infrared	ADJ
eurjchem-2498	7	12	spectral	spectral	ADJ
eurjchem-2498	7	13	data	data	PROPN
eurjchem-2498	7	14	,	,	PUNCT
eurjchem-2498	7	15	highest	highest	ADV
eurjchem-2498	7	16	occupied	occupy	VERB
eurjchem-2498	7	17	molecular	molecular	ADJ
eurjchem-2498	7	18	orbital	orbital	ADJ
eurjchem-2498	7	19	and	and	CCONJ
eurjchem-2498	7	20	lowest	low	ADJ
eurjchem-2498	7	21	unoccupied	unoccupied	ADJ
eurjchem-2498	7	22	molecular	molecular	ADJ
eurjchem-2498	7	23	orbital	orbital	ADJ
eurjchem-2498	7	24	,	,	PUNCT
eurjchem-2498	7	25	natural	natural	ADJ
eurjchem-2498	7	26	bond	bond	NOUN
eurjchem-2498	7	27	orbital	orbital	NOUN
eurjchem-2498	7	28	,	,	PUNCT
eurjchem-2498	7	29	nucleusindependent	nucleusindependent	ADJ
eurjchem-2498	7	30	chemical	chemical	NOUN
eurjchem-2498	7	31	shifts	shift	NOUN
eurjchem-2498	7	32	,	,	PUNCT
eurjchem-2498	7	33	fukui	fukui	PROPN
eurjchem-2498	7	34	function	function	PROPN
eurjchem-2498	7	35	,	,	PUNCT
eurjchem-2498	7	36	polarizability	polarizability	NOUN
eurjchem-2498	7	37	,	,	PUNCT
eurjchem-2498	7	38	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2498	7	39	,	,	PUNCT
eurjchem-2498	7	40	and	and	CCONJ
eurjchem-2498	7	41	uv	uv	NOUN
eurjchem-2498	7	42	data	datum	NOUN
eurjchem-2498	7	43	of	of	ADP
eurjchem-2498	7	44	compounds	compound	NOUN
eurjchem-2498	7	45	1	1	NUM
eurjchem-2498	7	46	and	and	CCONJ
eurjchem-2498	7	47	2	2	NUM
eurjchem-2498	7	48	clearly	clearly	ADV
eurjchem-2498	7	49	indicate	indicate	VERB
eurjchem-2498	7	50	that	that	DET
eurjchem-2498	7	51	substitution	substitution	NOUN
eurjchem-2498	7	52	of	of	ADP
eurjchem-2498	7	53	the	the	DET
eurjchem-2498	7	54	amino	amino	NOUN
eurjchem-2498	7	55	group	group	NOUN
eurjchem-2498	7	56	alters	alter	VERB
eurjchem-2498	7	57	the	the	DET
eurjchem-2498	7	58	physical	physical	ADJ
eurjchem-2498	7	59	properties	property	NOUN
eurjchem-2498	7	60	of	of	ADP
eurjchem-2498	7	61	compound	compound	NOUN
eurjchem-2498	7	62	2	2	NUM
eurjchem-2498	7	63	.	.	PUNCT
eurjchem-2498	8	1	the	the	DET
eurjchem-2498	8	2	nucleus	nucleus	NOUN
eurjchem-2498	8	3	-	-	PUNCT
eurjchem-2498	8	4	independent	independent	ADJ
eurjchem-2498	8	5	chemical	chemical	NOUN
eurjchem-2498	8	6	shift	shift	NOUN
eurjchem-2498	8	7	values	value	NOUN
eurjchem-2498	8	8	of	of	ADP
eurjchem-2498	8	9	the	the	DET
eurjchem-2498	8	10	amino	amino	NOUN
eurjchem-2498	8	11	-	-	PUNCT
eurjchem-2498	8	12	substituted	substitute	VERB
eurjchem-2498	8	13	phenyl	phenyl	NOUN
eurjchem-2498	8	14	ring	ring	NOUN
eurjchem-2498	8	15	reduces	reduce	VERB
eurjchem-2498	8	16	the	the	DET
eurjchem-2498	8	17	aromatic	aromatic	ADJ
eurjchem-2498	8	18	character	character	NOUN
eurjchem-2498	8	19	due	due	ADP
eurjchem-2498	8	20	to	to	ADP
eurjchem-2498	8	21	the	the	DET
eurjchem-2498	8	22	lone	lone	ADJ
eurjchem-2498	8	23	pair	pair	NOUN
eurjchem-2498	8	24	electron	electron	NOUN
eurjchem-2498	8	25	on	on	ADP
eurjchem-2498	8	26	nitrogen	nitrogen	NOUN
eurjchem-2498	8	27	involved	involve	VERB
eurjchem-2498	8	28	in	in	ADP
eurjchem-2498	8	29	inductive	inductive	ADJ
eurjchem-2498	8	30	and	and	CCONJ
eurjchem-2498	8	31	conjunction	conjunction	NOUN
eurjchem-2498	8	32	effects	effect	NOUN
eurjchem-2498	8	33	,	,	PUNCT
eurjchem-2498	8	34	as	as	ADV
eurjchem-2498	8	35	well	well	ADV
eurjchem-2498	8	36	as	as	ADP
eurjchem-2498	8	37	due	due	ADJ
eurjchem-2498	8	38	to	to	ADP
eurjchem-2498	8	39	oh	oh	INTJ
eurjchem-2498	8	40	,	,	PUNCT
eurjchem-2498	8	41	nh2	nh2	PROPN
eurjchem-2498	8	42	and	and	CCONJ
eurjchem-2498	8	43	oh	oh	INTJ
eurjchem-2498	8	44	,	,	PUNCT
eurjchem-2498	8	45	nhcoch3	nhcoch3	ADJ
eurjchem-2498	8	46	in	in	ADP
eurjchem-2498	8	47	compounds	compound	NOUN
eurjchem-2498	8	48	1	1	NUM
eurjchem-2498	8	49	and	and	CCONJ
eurjchem-2498	8	50	2	2	NUM
eurjchem-2498	8	51	,	,	PUNCT
eurjchem-2498	8	52	respectively	respectively	ADV
eurjchem-2498	8	53	.	.	PUNCT
eurjchem-2498	9	1	the	the	DET
eurjchem-2498	9	2	effect	effect	NOUN
eurjchem-2498	9	3	of	of	ADP
eurjchem-2498	9	4	the	the	DET
eurjchem-2498	9	5	solvent	solvent	NOUN
eurjchem-2498	9	6	on	on	ADP
eurjchem-2498	9	7	different	different	ADJ
eurjchem-2498	9	8	parameters	parameter	NOUN
eurjchem-2498	9	9	was	be	AUX
eurjchem-2498	9	10	studied	study	VERB
eurjchem-2498	9	11	,	,	PUNCT
eurjchem-2498	9	12	and	and	CCONJ
eurjchem-2498	9	13	it	it	PRON
eurjchem-2498	9	14	was	be	AUX
eurjchem-2498	9	15	found	find	VERB
eurjchem-2498	9	16	that	that	SCONJ
eurjchem-2498	9	17	increasing	increase	VERB
eurjchem-2498	9	18	the	the	DET
eurjchem-2498	9	19	dielectric	dielectric	ADJ
eurjchem-2498	9	20	constant	constant	NOUN
eurjchem-2498	9	21	increased	increase	VERB
eurjchem-2498	9	22	the	the	DET
eurjchem-2498	9	23	parameter	parameter	NOUN
eurjchem-2498	9	24	studied	study	VERB
eurjchem-2498	9	25	.	.	PUNCT
eurjchem-2498	10	1	the	the	DET
eurjchem-2498	10	2	stability	stability	NOUN
eurjchem-2498	10	3	and	and	CCONJ
eurjchem-2498	10	4	planarity	planarity	NOUN
eurjchem-2498	10	5	of	of	ADP
eurjchem-2498	10	6	the	the	DET
eurjchem-2498	10	7	molecule	molecule	NOUN
eurjchem-2498	10	8	’s	’s	PART
eurjchem-2498	10	9	effects	effect	NOUN
eurjchem-2498	10	10	on	on	ADP
eurjchem-2498	10	11	dipole	dipole	NOUN
eurjchem-2498	10	12	moment	moment	NOUN
eurjchem-2498	10	13	,	,	PUNCT
eurjchem-2498	10	14	energy	energy	NOUN
eurjchem-2498	10	15	,	,	PUNCT
eurjchem-2498	10	16	polarizability	polarizability	NOUN
eurjchem-2498	10	17	,	,	PUNCT
eurjchem-2498	10	18	and	and	CCONJ
eurjchem-2498	10	19	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2498	10	20	were	be	AUX
eurjchem-2498	10	21	studied	study	VERB
eurjchem-2498	10	22	extensively	extensively	ADV
eurjchem-2498	10	23	.	.	PUNCT
eurjchem-2498	11	1	nbo	nbo	PROPN
eurjchem-2498	11	2	homo	homo	ADJ
eurjchem-2498	11	3	-	-	PUNCT
eurjchem-2498	11	4	lumo	lumo	NOUN
eurjchem-2498	11	5	solvent	solvent	NOUN
eurjchem-2498	11	6	effect	effect	NOUN
eurjchem-2498	11	7	uv	uv	NOUN
eurjchem-2498	11	8	-	-	PUNCT
eurjchem-2498	11	9	vis	vis	X
eurjchem-2498	11	10	studies	study	NOUN
eurjchem-2498	11	11	dihedral	dihedral	ADJ
eurjchem-2498	11	12	angle	angle	NOUN
eurjchem-2498	11	13	dipole	dipole	NOUN
eurjchem-2498	11	14	moment	moment	NOUN
eurjchem-2498	11	15	cite	cite	VERB
eurjchem-2498	11	16	this	this	PRON
eurjchem-2498	11	17	:	:	PUNCT
eurjchem-2498	11	18	eur	eur	PROPN
eurjchem-2498	11	19	.	.	PUNCT
eurjchem-2498	12	1	j.	j.	PROPN
eurjchem-2498	12	2	chem	chem	PROPN
eurjchem-2498	12	3	.	.	PUNCT
eurjchem-2498	13	1	2024	2024	NUM
eurjchem-2498	13	2	,	,	PUNCT
eurjchem-2498	13	3	15(1	15(1	NUM
eurjchem-2498	13	4	)	)	PUNCT
eurjchem-2498	13	5	,	,	PUNCT
eurjchem-2498	13	6	50	50	NUM
eurjchem-2498	13	7	-	-	SYM
eurjchem-2498	13	8	70	70	NUM
eurjchem-2498	13	9	journal	journal	NOUN
eurjchem-2498	13	10	website	website	NOUN
eurjchem-2498	13	11	:	:	PUNCT
eurjchem-2498	13	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2498	13	13	1	1	X
eurjchem-2498	13	14	.	.	PUNCT
eurjchem-2498	13	15	introduction	introduction	NOUN
eurjchem-2498	13	16	zubrys	zubry	NOUN
eurjchem-2498	13	17	and	and	CCONJ
eurjchem-2498	13	18	siebenmann	siebenmann	PROPN
eurjchem-2498	13	19	have	have	AUX
eurjchem-2498	13	20	synthesized	synthesize	VERB
eurjchem-2498	13	21	condensation	condensation	NOUN
eurjchem-2498	13	22	products	product	NOUN
eurjchem-2498	13	23	of	of	ADP
eurjchem-2498	13	24	iso	iso	NOUN
eurjchem-2498	13	25	-	-	PUNCT
eurjchem-2498	13	26	nicotinylhydrazones	nicotinylhydrazone	NOUN
eurjchem-2498	13	27	,	,	PUNCT
eurjchem-2498	13	28	monohydroxyl	monohydroxyl	PROPN
eurjchem-2498	13	29	benzaldehydes	benzaldehyde	VERB
eurjchem-2498	13	30	,	,	PUNCT
eurjchem-2498	13	31	and	and	CCONJ
eurjchem-2498	13	32	the	the	DET
eurjchem-2498	13	33	corresponding	correspond	VERB
eurjchem-2498	13	34	aldehyde	aldehyde	NOUN
eurjchem-2498	13	35	phenoxyacetic	phenoxyacetic	ADJ
eurjchem-2498	13	36	acid	acid	NOUN
eurjchem-2498	13	37	.	.	PUNCT
eurjchem-2498	14	1	of	of	ADP
eurjchem-2498	14	2	6	6	NUM
eurjchem-2498	14	3	-	-	PUNCT
eurjchem-2498	14	4	methoxy-2	methoxy-2	NUM
eurjchem-2498	14	5	-	-	PUNCT
eurjchem-2498	14	6	formylphenoxyacetic	formylphenoxyacetic	ADJ
eurjchem-2498	14	7	acid	acid	NOUN
eurjchem-2498	14	8	,	,	PUNCT
eurjchem-2498	14	9	these	these	PRON
eurjchem-2498	14	10	are	be	AUX
eurjchem-2498	14	11	considered	consider	VERB
eurjchem-2498	14	12	to	to	PART
eurjchem-2498	14	13	have	have	VERB
eurjchem-2498	14	14	the	the	DET
eurjchem-2498	14	15	most	most	ADV
eurjchem-2498	14	16	pronounced	pronounce	VERB
eurjchem-2498	14	17	antituberculous	antituberculous	ADJ
eurjchem-2498	14	18	exertion	exertion	NOUN
eurjchem-2498	14	19	combined	combine	VERB
eurjchem-2498	14	20	with	with	ADP
eurjchem-2498	14	21	low	low	ADJ
eurjchem-2498	14	22	toxin	toxin	NOUN
eurjchem-2498	15	1	[	[	X
eurjchem-2498	15	2	1	1	NUM
eurjchem-2498	15	3	]	]	PUNCT
eurjchem-2498	15	4	.	.	PUNCT
eurjchem-2498	16	1	thermal	thermal	ADJ
eurjchem-2498	16	2	recyclization	recyclization	NOUN
eurjchem-2498	16	3	of	of	ADP
eurjchem-2498	16	4	3methyl-4	3methyl-4	NUM
eurjchem-2498	16	5	-	-	PUNCT
eurjchem-2498	16	6	acetyl(benzoyl)furoxans(3	acetyl(benzoyl)furoxans(3	NOUN
eurjchem-2498	16	7	-	-	PUNCT
eurjchem-2498	16	8	methyl-4	methyl-4	NOUN
eurjchem-2498	16	9	-	-	PUNCT
eurjchem-2498	16	10	acetyl(benzoyl	acetyl(benzoyl	NOUN
eurjchem-2498	16	11	)	)	PUNCT
eurjchem-2498	16	12	-2	-2	NOUN
eurjchem-2498	16	13	-	-	PUNCT
eurjchem-2498	16	14	oxides)phenylhydrazonesto	oxides)phenylhydrazonesto	ADJ
eurjchem-2498	16	15	oximes	oxime	NOUN
eurjchem-2498	16	16	of	of	ADP
eurjchem-2498	16	17	5	5	NUM
eurjchem-2498	16	18	-	-	PUNCT
eurjchem-2498	16	19	acetyl-4	acetyl-4	NOUN
eurjchem-2498	16	20	-	-	PUNCT
eurjchem-2498	16	21	phenyl	phenyl	NOUN
eurjchem-2498	16	22	(	(	PUNCT
eurjchem-2498	16	23	methyl)-1	methyl)-1	NOUN
eurjchem-2498	16	24	-	-	PUNCT
eurjchem-2498	16	25	oxide	oxide	NOUN
eurjchem-2498	16	26	and	and	CCONJ
eurjchem-2498	16	27	base	base	NOUN
eurjchem-2498	16	28	-	-	PUNCT
eurjchem-2498	16	29	convinced	convince	VERB
eurjchem-2498	16	30	mononuclear	mononuclear	ADJ
eurjchem-2498	16	31	heterocyclic	heterocyclic	ADJ
eurjchem-2498	16	32	rearrangement	rearrangement	NOUN
eurjchem-2498	16	33	of	of	ADP
eurjchem-2498	16	34	below	below	ADP
eurjchem-2498	16	35	phenylhydrazones	phenylhydrazone	NOUN
eurjchem-2498	16	36	to	to	ADP
eurjchem-2498	16	37	4	4	NUM
eurjchem-2498	16	38	-	-	PUNCT
eurjchem-2498	16	39	phenyl	phenyl	NOUN
eurjchem-2498	16	40	(	(	PUNCT
eurjchem-2498	16	41	methyl)-5-(1	methyl)-5-(1	NOUN
eurjchem-2498	16	42	-	-	PUNCT
eurjchem-2498	16	43	nitroethyl	nitroethyl	NOUN
eurjchem-2498	16	44	)	)	PUNCT
eurjchem-2498	16	45	were	be	AUX
eurjchem-2498	16	46	prepared	prepare	VERB
eurjchem-2498	16	47	by	by	ADP
eurjchem-2498	16	48	baryshnikova	baryshnikova	NOUN
eurjchem-2498	16	49	and	and	CCONJ
eurjchem-2498	16	50	makhova	makhova	X
eurjchem-2498	17	1	[	[	X
eurjchem-2498	17	2	2	2	NUM
eurjchem-2498	17	3	]	]	PUNCT
eurjchem-2498	17	4	.	.	PUNCT
eurjchem-2498	18	1	dimmock	dimmock	PROPN
eurjchem-2498	18	2	et	et	PROPN
eurjchem-2498	18	3	al	al	PROPN
eurjchem-2498	18	4	.	.	PROPN
eurjchem-2498	18	5	were	be	AUX
eurjchem-2498	18	6	synthesized	synthesize	VERB
eurjchem-2498	18	7	colorful	colorful	ADJ
eurjchem-2498	18	8	acetylhydrazones	acetylhydrazone	NOUN
eurjchem-2498	18	9	,	,	PUNCT
eurjchem-2498	18	10	oxamoylhydrazones	oxamoylhydrazone	NOUN
eurjchem-2498	18	11	,	,	PUNCT
eurjchem-2498	18	12	and	and	CCONJ
eurjchem-2498	18	13	semicarbazones	semicarbazone	NOUN
eurjchem-2498	18	14	as	as	SCONJ
eurjchem-2498	18	15	seeker	seeker	NOUN
eurjchem-2498	18	16	anticonvulsants	anticonvulsant	VERB
eurjchem-2498	18	17	with	with	ADP
eurjchem-2498	18	18	a	a	DET
eurjchem-2498	18	19	view	view	NOUN
eurjchem-2498	18	20	to	to	ADP
eurjchem-2498	18	21	examining	examine	VERB
eurjchem-2498	18	22	the	the	DET
eurjchem-2498	18	23	viability	viability	NOUN
eurjchem-2498	18	24	of	of	ADP
eurjchem-2498	18	25	an	an	DET
eurjchem-2498	18	26	apparent	apparent	ADJ
eurjchem-2498	18	27	list	list	NOUN
eurjchem-2498	18	28	thesis	thesis	NOUN
eurjchem-2498	19	1	[	[	X
eurjchem-2498	19	2	3	3	NUM
eurjchem-2498	19	3	]	]	PUNCT
eurjchem-2498	19	4	.	.	PUNCT
eurjchem-2498	20	1	the	the	DET
eurjchem-2498	20	2	natural	natural	ADJ
eurjchem-2498	20	3	results	result	NOUN
eurjchem-2498	20	4	revealed	reveal	VERB
eurjchem-2498	20	5	that	that	SCONJ
eurjchem-2498	20	6	,	,	PUNCT
eurjchem-2498	20	7	in	in	ADP
eurjchem-2498	20	8	general	general	ADJ
eurjchem-2498	20	9	,	,	PUNCT
eurjchem-2498	20	10	the	the	DET
eurjchem-2498	20	11	acetylhydrazones	acetylhydrazone	NOUN
eurjchem-2498	20	12	and	and	CCONJ
eurjchem-2498	20	13	semicarbazones	semicarbazone	NOUN
eurjchem-2498	20	14	showed	show	VERB
eurjchem-2498	20	15	good	good	ADJ
eurjchem-2498	20	16	protection	protection	NOUN
eurjchem-2498	20	17	against	against	ADP
eurjchem-2498	20	18	storms	storm	NOUN
eurjchem-2498	20	19	,	,	PUNCT
eurjchem-2498	20	20	whereas	whereas	SCONJ
eurjchem-2498	20	21	the	the	DET
eurjchem-2498	20	22	oxamoyl	oxamoyl	NOUN
eurjchem-2498	20	23	-	-	PUNCT
eurjchem-2498	20	24	hydrazones	hydrazone	NOUN
eurjchem-2498	20	25	were	be	AUX
eurjchem-2498	20	26	significantly	significantly	ADV
eurjchem-2498	20	27	less	less	ADV
eurjchem-2498	20	28	active	active	ADJ
eurjchem-2498	20	29	.	.	PUNCT
eurjchem-2498	21	1	sevim	sevim	VERB
eurjchem-2498	21	2	rollas	rolla	NOUN
eurjchem-2498	21	3	et	et	PROPN
eurjchem-2498	21	4	al	al	PROPN
eurjchem-2498	21	5	.	.	PROPN
eurjchem-2498	22	1	prepared	prepare	VERB
eurjchem-2498	22	2	a	a	DET
eurjchem-2498	22	3	series	series	NOUN
eurjchem-2498	22	4	of	of	ADP
eurjchem-2498	22	5	hydrazidehydrazones	hydrazidehydrazone	NOUN
eurjchem-2498	22	6	and	and	CCONJ
eurjchem-2498	22	7	1,3,4	1,3,4	NUM
eurjchem-2498	22	8	-	-	PUNCT
eurjchem-2498	22	9	oxadiazolines	oxadiazoline	NOUN
eurjchem-2498	22	10	of	of	ADP
eurjchem-2498	22	11	4fluorobenzoic	4fluorobenzoic	NUM
eurjchem-2498	22	12	acid	acid	NOUN
eurjchem-2498	22	13	hydrazide	hydrazide	ADV
eurjchem-2498	23	1	[	[	X
eurjchem-2498	23	2	4	4	NUM
eurjchem-2498	23	3	]	]	PUNCT
eurjchem-2498	23	4	.	.	PUNCT
eurjchem-2498	24	1	these	these	DET
eurjchem-2498	24	2	compounds	compound	NOUN
eurjchem-2498	24	3	were	be	AUX
eurjchem-2498	24	4	tested	test	VERB
eurjchem-2498	24	5	for	for	ADP
eurjchem-2498	24	6	their	their	PRON
eurjchem-2498	24	7	antibacterial	antibacterial	ADJ
eurjchem-2498	24	8	and	and	CCONJ
eurjchem-2498	24	9	antifungal	antifungal	ADJ
eurjchem-2498	24	10	conditioning	conditioning	NOUN
eurjchem-2498	24	11	against	against	ADP
eurjchem-2498	24	12	staphylococcus	staphylococcus	NOUN
eurjchem-2498	24	13	aureus	aureus	NOUN
eurjchem-2498	24	14	,	,	PUNCT
eurjchem-2498	24	15	escherichia	escherichia	NOUN
eurjchem-2498	24	16	coli	coli	NOUN
eurjchem-2498	24	17	,	,	PUNCT
eurjchem-2498	24	18	pseudomonas	pseudomona	NOUN
eurjchem-2498	24	19	aeruginosa	aeruginosa	NOUN
eurjchem-2498	24	20	,	,	PUNCT
eurjchem-2498	24	21	and	and	CCONJ
eurjchem-2498	24	22	candida	candida	PROPN
eurjchem-2498	24	23	albicans	albican	NOUN
eurjchem-2498	24	24	.	.	PUNCT
eurjchem-2498	25	1	rosanna	rosanna	PROPN
eurjchem-2498	25	2	maccari	maccari	PROPN
eurjchem-2498	25	3	et	et	PROPN
eurjchem-2498	25	4	al	al	PROPN
eurjchem-2498	25	5	.	.	PUNCT
eurjchem-2498	26	1	[	[	X
eurjchem-2498	26	2	5	5	NUM
eurjchem-2498	26	3	]	]	PUNCT
eurjchem-2498	26	4	studied	study	VERB
eurjchem-2498	26	5	an	an	DET
eurjchem-2498	26	6	in	in	ADP
eurjchem-2498	26	7	vitro	vitro	X
eurjchem-2498	26	8	antimycobacterial	antimycobacterial	NOUN
eurjchem-2498	26	9	of	of	ADP
eurjchem-2498	26	10	isoniazid	isoniazid	NOUN
eurjchem-2498	26	11	-	-	PUNCT
eurjchem-2498	26	12	related	relate	VERB
eurjchem-2498	26	13	isonicotinoylhydrazones	isonicotinoylhydrazone	NOUN
eurjchem-2498	26	14	(	(	PUNCT
eurjchem-2498	26	15	isne	isne	NOUN
eurjchem-2498	26	16	)	)	PUNCT
eurjchem-2498	26	17	,	,	PUNCT
eurjchem-2498	26	18	2'-monosubstituted	2'-monosubstitute	VERB
eurjchem-2498	26	19	isonicotino	isonicotino	NOUN
eurjchem-2498	26	20	-	-	PUNCT
eurjchem-2498	26	21	hydrazides	hydrazide	NOUN
eurjchem-2498	26	22	and	and	CCONJ
eurjchem-2498	26	23	cyanoboranes	cyanoborane	NOUN
eurjchem-2498	26	24	.	.	PUNCT
eurjchem-2498	27	1	the	the	DET
eurjchem-2498	27	2	most	most	ADV
eurjchem-2498	27	3	intriguing	intriguing	ADJ
eurjchem-2498	27	4	result	result	NOUN
eurjchem-2498	27	5	is	be	AUX
eurjchem-2498	27	6	that	that	SCONJ
eurjchem-2498	27	7	some	some	DET
eurjchem-2498	27	8	hydrazides	hydrazide	NOUN
eurjchem-2498	27	9	and	and	CCONJ
eurjchem-2498	27	10	isnes	isne	NOUN
eurjchem-2498	27	11	were	be	AUX
eurjchem-2498	27	12	shown	show	VERB
eurjchem-2498	27	13	to	to	PART
eurjchem-2498	27	14	be	be	AUX
eurjchem-2498	27	15	more	more	ADV
eurjchem-2498	27	16	effective	effective	ADJ
eurjchem-2498	27	17	antimycobacterial	antimycobacterial	ADJ
eurjchem-2498	27	18	agents	agent	NOUN
eurjchem-2498	27	19	than	than	ADP
eurjchem-2498	27	20	maternal	maternal	ADJ
eurjchem-2498	27	21	isoniazid	isoniazid	NOUN
eurjchem-2498	27	22	in	in	ADP
eurjchem-2498	27	23	a	a	DET
eurjchem-2498	27	24	model	model	NOUN
eurjchem-2498	27	25	of	of	ADP
eurjchem-2498	27	26	tuberculosis	tuberculosis	NOUN
eurjchem-2498	27	27	-	-	PUNCT
eurjchem-2498	27	28	infected	infect	VERB
eurjchem-2498	27	29	macrophages	macrophage	NOUN
eurjchem-2498	27	30	.	.	PUNCT
eurjchem-2498	28	1	a	a	DET
eurjchem-2498	28	2	new	new	ADJ
eurjchem-2498	28	3	series	series	NOUN
eurjchem-2498	28	4	of	of	ADP
eurjchem-2498	28	5	imidazo-(1,2	imidazo-(1,2	PROPN
eurjchem-2498	28	6	-	-	PUNCT
eurjchem-2498	28	7	a)-pyrazine-2	a)-pyrazine-2	ADP
eurjchem-2498	28	8	-	-	PUNCT
eurjchem-2498	28	9	carboxylic	carboxylic	ADJ
eurjchem-2498	28	10	acid	acid	NOUN
eurjchem-2498	28	11	arylidenehydrazides	arylidenehydrazide	NOUN
eurjchem-2498	28	12	was	be	AUX
eurjchem-2498	28	13	prepared	prepare	VERB
eurjchem-2498	28	14	and	and	CCONJ
eurjchem-2498	28	15	characterized	characterize	VERB
eurjchem-2498	28	16	by	by	ADP
eurjchem-2498	28	17	infrared	infrared	ADJ
eurjchem-2498	28	18	spectroscopy	spectroscopy	NOUN
eurjchem-2498	28	19	(	(	PUNCT
eurjchem-2498	28	20	ir	ir	NOUN
eurjchem-2498	28	21	)	)	PUNCT
eurjchem-2498	28	22	,	,	PUNCT
eurjchem-2498	28	23	proton	proton	NOUN
eurjchem-2498	28	24	nuclear	nuclear	ADJ
eurjchem-2498	28	25	magnetic	magnetic	ADJ
eurjchem-2498	28	26	resonance	resonance	NOUN
eurjchem-2498	28	27	(	(	PUNCT
eurjchem-2498	28	28	1h	1h	NUM
eurjchem-2498	28	29	nmr	nmr	NOUN
eurjchem-2498	28	30	)	)	PUNCT
eurjchem-2498	28	31	,	,	PUNCT
eurjchem-2498	28	32	and	and	CCONJ
eurjchem-2498	28	33	fast	fast	ADJ
eurjchem-2498	28	34	atom	atom	NOUN
eurjchem-2498	28	35	bombardment	bombardment	NOUN
eurjchem-2498	28	36	mass	mass	NOUN
eurjchem-2498	28	37	spectrometry	spectrometry	NOUN
eurjchem-2498	28	38	(	(	PUNCT
eurjchem-2498	28	39	fab	fab	NOUN
eurjchem-2498	28	40	-	-	PUNCT
eurjchem-2498	28	41	ms	ms	NOUN
eurjchem-2498	28	42	)	)	PUNCT
eurjchem-2498	28	43	spectral	spectral	ADJ
eurjchem-2498	28	44	data	datum	NOUN
eurjchem-2498	28	45	.	.	PUNCT
eurjchem-2498	29	1	three	three	NUM
eurjchem-2498	29	2	compounds	compound	NOUN
eurjchem-2498	29	3	were	be	AUX
eurjchem-2498	29	4	also	also	ADV
eurjchem-2498	29	5	estimated	estimate	VERB
eurjchem-2498	29	6	for	for	ADP
eurjchem-2498	29	7	anti	anti	ADJ
eurjchem-2498	29	8	-	-	ADJ
eurjchem-2498	29	9	tuberculosis	tuberculosis	ADJ
eurjchem-2498	29	10	exertion	exertion	NOUN
eurjchem-2498	29	11	against	against	ADP
eurjchem-2498	29	12	mycobacterium	mycobacterium	NOUN
eurjchem-2498	29	13	tuberculosis	tuberculosis	NOUN
eurjchem-2498	29	14	h37rv	h37rv	ADP
eurjchem-2498	29	15	using	use	VERB
eurjchem-2498	29	16	the	the	DET
eurjchem-2498	29	17	bactec460	bactec460	PROPN
eurjchem-2498	29	18	radiometric	radiometric	ADJ
eurjchem-2498	29	19	system	system	NOUN
eurjchem-2498	29	20	and	and	CCONJ
eurjchem-2498	29	21	bactec12b	bactec12b	NOUN
eurjchem-2498	29	22	medium	medium	ADJ
eurjchem-2498	29	23	.	.	PUNCT
eurjchem-2498	30	1	the	the	DET
eurjchem-2498	30	2	compound	compound	NOUN
eurjchem-2498	30	3	showed	show	VERB
eurjchem-2498	30	4	moderately	moderately	ADV
eurjchem-2498	30	5	good	good	ADJ
eurjchem-2498	30	6	assets	asset	NOUN
eurjchem-2498	30	7	against	against	ADP
eurjchem-2498	30	8	mortal	mortal	ADJ
eurjchem-2498	30	9	pathogenic	pathogenic	ADJ
eurjchem-2498	30	10	microorganisms	microorganism	NOUN
eurjchem-2498	30	11	and	and	CCONJ
eurjchem-2498	30	12	is	be	AUX
eurjchem-2498	30	13	inactive	inactive	ADJ
eurjchem-2498	30	14	against	against	ADP
eurjchem-2498	30	15	mycobacterium	mycobacterium	NOUN
eurjchem-2498	30	16	tuberculosis	tuberculosis	NOUN
eurjchem-2498	30	17	h37rv	h37rv	PROPN
eurjchem-2498	31	1	[	[	X
eurjchem-2498	31	2	6	6	NUM
eurjchem-2498	31	3	]	]	PUNCT
eurjchem-2498	31	4	.	.	PUNCT
eurjchem-2498	32	1	abstract	abstract	ADJ
eurjchem-2498	32	2	research	research	NOUN
eurjchem-2498	32	3	article	article	NOUN
eurjchem-2498	32	4	keywords	keyword	VERB
eurjchem-2498	32	5	https://dx.doi.org/10.5155/eurjchem.15.1.50-70.2498	https://dx.doi.org/10.5155/eurjchem.15.1.50-70.2498	PROPN
eurjchem-2498	32	6	https://www.eurjchem.com/	https://www.eurjchem.com/	VERB
eurjchem-2498	32	7	https://dx.doi.org/10.5155/eurjchem.15.1.50-70.2498	https://dx.doi.org/10.5155/eurjchem.15.1.50-70.2498	PROPN
eurjchem-2498	32	8	mailto:pvta1998@yahoo.co.in	mailto:pvta1998@yahoo.co.in	PROPN
eurjchem-2498	32	9	http://www.eurjchem.com/	http://www.eurjchem.com/	NOUN
eurjchem-2498	32	10	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.15.1.50-70.2498&domain=pdf&date_stamp=2024-03-31	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.15.1.50-70.2498&domain=pdf&date_stamp=2024-03-31	NOUN
eurjchem-2498	32	11	siluvairaj	siluvairaj	VERB
eurjchem-2498	32	12	et	et	PROPN
eurjchem-2498	32	13	al	al	PROPN
eurjchem-2498	32	14	.	.	PUNCT
eurjchem-2498	32	15	/	/	SYM
eurjchem-2498	32	16	european	european	PROPN
eurjchem-2498	32	17	journal	journal	PROPN
eurjchem-2498	32	18	of	of	ADP
eurjchem-2498	32	19	chemistry	chemistry	NOUN
eurjchem-2498	32	20	15	15	NUM
eurjchem-2498	32	21	(	(	PUNCT
eurjchem-2498	32	22	1	1	NUM
eurjchem-2498	32	23	)	)	PUNCT
eurjchem-2498	32	24	(	(	PUNCT
eurjchem-2498	32	25	2024	2024	NUM
eurjchem-2498	32	26	)	)	PUNCT
eurjchem-2498	32	27	50	50	NUM
eurjchem-2498	32	28	-	-	SYM
eurjchem-2498	32	29	70	70	NUM
eurjchem-2498	32	30	51	51	NUM
eurjchem-2498	32	31	2024	2024	NUM
eurjchem-2498	32	32	–	–	PUNCT
eurjchem-2498	32	33	european	european	ADJ
eurjchem-2498	32	34	journal	journal	NOUN
eurjchem-2498	32	35	of	of	ADP
eurjchem-2498	32	36	chemistry	chemistry	NOUN
eurjchem-2498	32	37	–	–	PUNCT
eurjchem-2498	32	38	cc	cc	NOUN
eurjchem-2498	32	39	by	by	ADP
eurjchem-2498	32	40	nc	nc	PROPN
eurjchem-2498	32	41	–	–	PUNCT
eurjchem-2498	32	42	doi	doi	NOUN
eurjchem-2498	32	43	:	:	PUNCT
eurjchem-2498	32	44	10.5155	10.5155	NUM
eurjchem-2498	32	45	/	/	SYM
eurjchem-2498	32	46	eurjchem.15.1.50	eurjchem.15.1.50	ADJ
eurjchem-2498	32	47	-	-	SYM
eurjchem-2498	32	48	70.2498	70.2498	NUM
eurjchem-2498	32	49	scheme	scheme	NOUN
eurjchem-2498	32	50	1	1	NUM
eurjchem-2498	32	51	.	.	PUNCT
eurjchem-2498	32	52	synthesis	synthesis	NOUN
eurjchem-2498	32	53	scheme	scheme	NOUN
eurjchem-2498	32	54	for	for	ADP
eurjchem-2498	32	55	n-(4-((4	n-(4-((4	PROPN
eurjchem-2498	32	56	-	-	PUNCT
eurjchem-2498	32	57	hydroxy-3-((2	hydroxy-3-((2	NOUN
eurjchem-2498	32	58	-	-	ADJ
eurjchem-2498	32	59	phenylhydrazono)methyl)phenyl)diazenyl)phenyl)acetamide	phenylhydrazono)methyl)phenyl)diazenyl)phenyl)acetamide	ADJ
eurjchem-2498	32	60	(	(	PUNCT
eurjchem-2498	32	61	2	2	NUM
eurjchem-2498	32	62	)	)	PUNCT
eurjchem-2498	32	63	.	.	PUNCT
eurjchem-2498	33	1	a	a	DET
eurjchem-2498	33	2	series	series	NOUN
eurjchem-2498	33	3	of	of	ADP
eurjchem-2498	33	4	2	2	NUM
eurjchem-2498	33	5	-	-	PUNCT
eurjchem-2498	33	6	quinoxalinone-3	quinoxalinone-3	NUM
eurjchem-2498	33	7	-	-	PUNCT
eurjchem-2498	33	8	hydrazzone	hydrazzone	NOUN
eurjchem-2498	33	9	derivatives	derivative	NOUN
eurjchem-2498	33	10	was	be	AUX
eurjchem-2498	33	11	prepared	prepare	VERB
eurjchem-2498	33	12	using	use	VERB
eurjchem-2498	33	13	a	a	DET
eurjchem-2498	33	14	microwave	microwave	NOUN
eurjchem-2498	33	15	oven	oven	NOUN
eurjchem-2498	33	16	system	system	NOUN
eurjchem-2498	33	17	,	,	PUNCT
eurjchem-2498	33	18	structurally	structurally	ADV
eurjchem-2498	33	19	verified	verify	VERB
eurjchem-2498	33	20	by	by	ADP
eurjchem-2498	33	21	logical	logical	ADJ
eurjchem-2498	33	22	and	and	CCONJ
eurjchem-2498	33	23	spectral	spectral	ADJ
eurjchem-2498	33	24	data	datum	NOUN
eurjchem-2498	33	25	,	,	PUNCT
eurjchem-2498	33	26	and	and	CCONJ
eurjchem-2498	33	27	estimated	estimate	VERB
eurjchem-2498	33	28	for	for	ADP
eurjchem-2498	33	29	their	their	PRON
eurjchem-2498	33	30	antimicrobial	antimicrobial	ADJ
eurjchem-2498	33	31	conditioning	conditioning	NOUN
eurjchem-2498	33	32	.	.	PUNCT
eurjchem-2498	34	1	the	the	DET
eurjchem-2498	34	2	mortal	mortal	ADJ
eurjchem-2498	34	3	frame	frame	NOUN
eurjchem-2498	34	4	displayed	display	VERB
eurjchem-2498	34	5	pronounced	pronounce	VERB
eurjchem-2498	34	6	energy	energy	NOUN
eurjchem-2498	34	7	as	as	ADP
eurjchem-2498	34	8	antimicrobial	antimicrobial	ADJ
eurjchem-2498	34	9	agents	agent	NOUN
eurjchem-2498	34	10	.	.	PUNCT
eurjchem-2498	35	1	the	the	DET
eurjchem-2498	35	2	most	most	ADV
eurjchem-2498	35	3	active	active	ADJ
eurjchem-2498	35	4	antibacterial	antibacterial	ADJ
eurjchem-2498	35	5	agent	agent	NOUN
eurjchem-2498	35	6	was	be	AUX
eurjchem-2498	35	7	3-{2-(1-(6	3-{2-(1-(6	NUM
eurjchem-2498	35	8	-	-	PUNCT
eurjchem-2498	35	9	chloro-2	chloro-2	VERB
eurjchem-2498	35	10	-	-	PUNCT
eurjchem-2498	35	11	oxo-2h	oxo-2h	ADJ
eurjchem-2498	35	12	-	-	PUNCT
eurjchem-2498	35	13	chromen3	chromen3	NOUN
eurjchem-2498	35	14	-	-	PUNCT
eurjchem-2498	35	15	yl)ethylidene	yl)ethylidene	NOUN
eurjchem-2498	35	16	)	)	PUNCT
eurjchem-2498	35	17	hydra	hydra	NOUN
eurjchem-2498	35	18	-	-	PUNCT
eurjchem-2498	35	19	zinyl	zinyl	NOUN
eurjchem-2498	35	20	}	}	PUNCT
eurjchem-2498	35	21	quinoxalin-2(1h)-one	quinoxalin-2(1h)-one	NOUN
eurjchem-2498	35	22	,	,	PUNCT
eurjchem-2498	35	23	while	while	SCONJ
eurjchem-2498	35	24	(	(	PUNCT
eurjchem-2498	35	25	propanylidene)hydrazinyl	propanylidene)hydrazinyl	NOUN
eurjchem-2498	35	26	)	)	PUNCT
eurjchem-2498	35	27	quinoxalin-2(1h)-one	quinoxalin-2(1h)-one	NOUN
eurjchem-2498	35	28	,	,	PUNCT
eurjchem-2498	35	29	appeared	appear	VERB
eurjchem-2498	35	30	to	to	PART
eurjchem-2498	35	31	be	be	AUX
eurjchem-2498	35	32	the	the	DET
eurjchem-2498	35	33	most	most	ADV
eurjchem-2498	35	34	active	active	ADJ
eurjchem-2498	35	35	antifungal	antifungal	ADJ
eurjchem-2498	35	36	agent	agent	NOUN
eurjchem-2498	35	37	[	[	X
eurjchem-2498	35	38	7	7	NUM
eurjchem-2498	35	39	]	]	PUNCT
eurjchem-2498	35	40	.	.	PUNCT
eurjchem-2498	36	1	the	the	DET
eurjchem-2498	36	2	colorimetric	colorimetric	ADJ
eurjchem-2498	36	3	and	and	CCONJ
eurjchem-2498	36	4	turn	turn	NOUN
eurjchem-2498	36	5	-	-	PUNCT
eurjchem-2498	36	6	off	off	ADP
eurjchem-2498	36	7	fluorescent	fluorescent	ADJ
eurjchem-2498	36	8	selective	selective	ADJ
eurjchem-2498	36	9	detection	detection	NOUN
eurjchem-2498	36	10	of	of	ADP
eurjchem-2498	36	11	cu2	cu2	NOUN
eurjchem-2498	36	12	+	+	CCONJ
eurjchem-2498	36	13	was	be	AUX
eurjchem-2498	36	14	attributed	attribute	VERB
eurjchem-2498	36	15	to	to	ADP
eurjchem-2498	36	16	the	the	DET
eurjchem-2498	36	17	2:1	2:1	NUM
eurjchem-2498	36	18	complex	complex	NOUN
eurjchem-2498	36	19	of	of	ADP
eurjchem-2498	36	20	diarylethene	diarylethene	PROPN
eurjchem-2498	36	21	and	and	CCONJ
eurjchem-2498	36	22	cu2	cu2	NOUN
eurjchem-2498	36	23	+	+	CCONJ
eurjchem-2498	36	24	ions	ion	NOUN
eurjchem-2498	36	25	.	.	PUNCT
eurjchem-2498	37	1	in	in	ADP
eurjchem-2498	37	2	addition	addition	NOUN
eurjchem-2498	37	3	,	,	PUNCT
eurjchem-2498	37	4	the	the	DET
eurjchem-2498	37	5	metal	metal	NOUN
eurjchem-2498	37	6	-	-	PUNCT
eurjchem-2498	37	7	responsive	responsive	ADJ
eurjchem-2498	37	8	photochromic	photochromic	ADJ
eurjchem-2498	37	9	behavior	behavior	NOUN
eurjchem-2498	37	10	of	of	ADP
eurjchem-2498	37	11	diarylethene	diarylethene	PROPN
eurjchem-2498	37	12	was	be	AUX
eurjchem-2498	37	13	successfully	successfully	ADV
eurjchem-2498	37	14	applied	apply	VERB
eurjchem-2498	37	15	to	to	ADP
eurjchem-2498	37	16	the	the	DET
eurjchem-2498	37	17	construction	construction	NOUN
eurjchem-2498	37	18	of	of	ADP
eurjchem-2498	37	19	a	a	DET
eurjchem-2498	37	20	molecular	molecular	ADJ
eurjchem-2498	37	21	logic	logic	NOUN
eurjchem-2498	37	22	circuit	circuit	NOUN
eurjchem-2498	37	23	[	[	X
eurjchem-2498	37	24	8	8	NUM
eurjchem-2498	37	25	]	]	PUNCT
eurjchem-2498	37	26	.	.	PUNCT
eurjchem-2498	38	1	a	a	DET
eurjchem-2498	38	2	novel	novel	ADJ
eurjchem-2498	38	3	aryl	aryl	NOUN
eurjchem-2498	38	4	hydrazone	hydrazone	NOUN
eurjchem-2498	38	5	was	be	AUX
eurjchem-2498	38	6	synthesized	synthesize	VERB
eurjchem-2498	38	7	via	via	ADP
eurjchem-2498	38	8	the	the	DET
eurjchem-2498	38	9	japp	japp	PROPN
eurjchem-2498	38	10	-	-	PROPN
eurjchem-2498	38	11	klingemann	klingemann	PROPN
eurjchem-2498	38	12	reaction	reaction	NOUN
eurjchem-2498	38	13	between	between	ADP
eurjchem-2498	38	14	diazotized	diazotize	VERB
eurjchem-2498	38	15	4	4	NUM
eurjchem-2498	38	16	-	-	PUNCT
eurjchem-2498	38	17	aminoantipyrine	aminoantipyrine	ADJ
eurjchem-2498	38	18	and	and	CCONJ
eurjchem-2498	38	19	barbituric	barbituric	NOUN
eurjchem-2498	38	20	acid	acid	NOUN
eurjchem-2498	38	21	.	.	PUNCT
eurjchem-2498	39	1	various	various	ADJ
eurjchem-2498	39	2	spectroscopic	spectroscopic	ADJ
eurjchem-2498	39	3	methods	method	NOUN
eurjchem-2498	39	4	and	and	CCONJ
eurjchem-2498	39	5	x	x	NOUN
eurjchem-2498	39	6	-	-	NOUN
eurjchem-2498	39	7	ray	ray	ADJ
eurjchem-2498	39	8	single	single	ADJ
eurjchem-2498	39	9	-	-	PUNCT
eurjchem-2498	39	10	crystal	crystal	NOUN
eurjchem-2498	39	11	analysis	analysis	NOUN
eurjchem-2498	39	12	have	have	AUX
eurjchem-2498	39	13	characterized	characterize	VERB
eurjchem-2498	39	14	it	it	PRON
eurjchem-2498	39	15	.	.	PUNCT
eurjchem-2498	40	1	the	the	DET
eurjchem-2498	40	2	effect	effect	NOUN
eurjchem-2498	40	3	of	of	ADP
eurjchem-2498	40	4	ph	ph	NOUN
eurjchem-2498	40	5	on	on	ADP
eurjchem-2498	40	6	the	the	DET
eurjchem-2498	40	7	azohydra	azohydra	PROPN
eurjchem-2498	40	8	-	-	PUNCT
eurjchem-2498	40	9	zone	zone	NOUN
eurjchem-2498	40	10	tautomerism	tautomerism	NOUN
eurjchem-2498	40	11	of	of	ADP
eurjchem-2498	40	12	the	the	DET
eurjchem-2498	40	13	ligand	ligand	NOUN
eurjchem-2498	40	14	has	have	AUX
eurjchem-2498	40	15	been	be	AUX
eurjchem-2498	40	16	studied	study	VERB
eurjchem-2498	40	17	with	with	ADP
eurjchem-2498	40	18	uv	uv	NOUN
eurjchem-2498	40	19	-	-	PUNCT
eurjchem-2498	40	20	vis	vis	X
eurjchem-2498	40	21	spectroscopy	spectroscopy	NOUN
eurjchem-2498	40	22	.	.	PUNCT
eurjchem-2498	41	1	two	two	NUM
eurjchem-2498	41	2	types	type	NOUN
eurjchem-2498	41	3	of	of	ADP
eurjchem-2498	41	4	complexes	complex	NOUN
eurjchem-2498	41	5	were	be	AUX
eurjchem-2498	41	6	obtained	obtain	VERB
eurjchem-2498	41	7	by	by	ADP
eurjchem-2498	41	8	reaction	reaction	NOUN
eurjchem-2498	41	9	of	of	ADP
eurjchem-2498	41	10	the	the	DET
eurjchem-2498	41	11	ligand	ligand	NOUN
eurjchem-2498	41	12	with	with	ADP
eurjchem-2498	41	13	copper	copper	NOUN
eurjchem-2498	41	14	sulphatepentahydrate	sulphatepentahydrate	NOUN
eurjchem-2498	41	15	in	in	ADP
eurjchem-2498	41	16	methanol	methanol	NOUN
eurjchem-2498	41	17	under	under	ADP
eurjchem-2498	41	18	different	different	ADJ
eurjchem-2498	41	19	experimental	experimental	ADJ
eurjchem-2498	41	20	conditions	condition	NOUN
eurjchem-2498	41	21	[	[	X
eurjchem-2498	41	22	9	9	NUM
eurjchem-2498	41	23	]	]	PUNCT
eurjchem-2498	41	24	.	.	PUNCT
eurjchem-2498	42	1	in	in	ADP
eurjchem-2498	42	2	the	the	DET
eurjchem-2498	42	3	case	case	NOUN
eurjchem-2498	42	4	of	of	ADP
eurjchem-2498	42	5	polymorphism	polymorphism	NOUN
eurjchem-2498	42	6	,	,	PUNCT
eurjchem-2498	42	7	different	different	ADJ
eurjchem-2498	42	8	structures	structure	NOUN
eurjchem-2498	42	9	melt	melt	VERB
eurjchem-2498	42	10	into	into	ADP
eurjchem-2498	42	11	the	the	DET
eurjchem-2498	42	12	same	same	ADJ
eurjchem-2498	42	13	liquid	liquid	NOUN
eurjchem-2498	42	14	.	.	PUNCT
eurjchem-2498	43	1	the	the	DET
eurjchem-2498	43	2	same	same	ADJ
eurjchem-2498	43	3	structure	structure	NOUN
eurjchem-2498	43	4	melts	melt	NOUN
eurjchem-2498	43	5	in	in	ADP
eurjchem-2498	43	6	different	different	ADJ
eurjchem-2498	43	7	liquids	liquid	NOUN
eurjchem-2498	43	8	[	[	X
eurjchem-2498	43	9	10	10	NUM
eurjchem-2498	43	10	]	]	PUNCT
eurjchem-2498	43	11	.	.	PUNCT
eurjchem-2498	44	1	sumita	sumita	PROPN
eurjchem-2498	44	2	and	and	CCONJ
eurjchem-2498	44	3	enoch	enoch	PROPN
eurjchem-2498	44	4	reported	report	VERB
eurjchem-2498	44	5	the	the	DET
eurjchem-2498	44	6	mg2	mg2	PROPN
eurjchem-2498	44	7	+	+	NOUN
eurjchem-2498	44	8	ion	ion	NOUN
eurjchem-2498	44	9	sensing	sense	VERB
eurjchem-2498	44	10	behavior	behavior	NOUN
eurjchem-2498	44	11	of	of	ADP
eurjchem-2498	44	12	the	the	DET
eurjchem-2498	44	13	phenylhydrazone	phenylhydrazone	NOUN
eurjchem-2498	44	14	derivative	derivative	NOUN
eurjchem-2498	44	15	of	of	ADP
eurjchem-2498	44	16	difluorenylpiperidin-4	difluorenylpiperidin-4	PROPN
eurjchem-2498	44	17	-	-	PUNCT
eurjchem-2498	44	18	one	one	NUM
eurjchem-2498	44	19	[	[	X
eurjchem-2498	44	20	11	11	NUM
eurjchem-2498	44	21	]	]	PUNCT
eurjchem-2498	44	22	.	.	PUNCT
eurjchem-2498	45	1	the	the	DET
eurjchem-2498	45	2	composition	composition	NOUN
eurjchem-2498	45	3	and	and	CCONJ
eurjchem-2498	45	4	binding	bind	VERB
eurjchem-2498	45	5	strength	strength	NOUN
eurjchem-2498	45	6	of	of	ADP
eurjchem-2498	45	7	the	the	DET
eurjchem-2498	45	8	mg2	mg2	PROPN
eurjchem-2498	45	9	+	+	PROPN
eurjchem-2498	45	10	complex	complex	NOUN
eurjchem-2498	45	11	of	of	ADP
eurjchem-2498	45	12	phenylhydrazone	phenylhydrazone	NOUN
eurjchem-2498	45	13	are	be	AUX
eurjchem-2498	45	14	determined	determine	VERB
eurjchem-2498	45	15	.	.	PUNCT
eurjchem-2498	46	1	the	the	DET
eurjchem-2498	46	2	compound	compound	NOUN
eurjchem-2498	46	3	shows	show	VERB
eurjchem-2498	46	4	an	an	DET
eurjchem-2498	46	5	association	association	NOUN
eurjchem-2498	46	6	constant	constant	ADJ
eurjchem-2498	46	7	of	of	ADP
eurjchem-2498	46	8	3375.36	3375.36	NUM
eurjchem-2498	46	9	m-1	m-1	NOUN
eurjchem-2498	46	10	for	for	ADP
eurjchem-2498	46	11	binding	bind	VERB
eurjchem-2498	46	12	to	to	ADP
eurjchem-2498	46	13	mg2	mg2	PROPN
eurjchem-2498	46	14	+	+	PROPN
eurjchem-2498	46	15	ions	ion	NOUN
eurjchem-2498	46	16	.	.	PUNCT
eurjchem-2498	47	1	the	the	DET
eurjchem-2498	47	2	detection	detection	NOUN
eurjchem-2498	47	3	range	range	NOUN
eurjchem-2498	47	4	and	and	CCONJ
eurjchem-2498	47	5	competitive	competitive	ADJ
eurjchem-2498	47	6	binding	bind	VERB
eurjchem-2498	47	7	behavior	behavior	NOUN
eurjchem-2498	47	8	of	of	ADP
eurjchem-2498	47	9	mg2	mg2	PROPN
eurjchem-2498	47	10	+	+	PROPN
eurjchem-2498	47	11	ions	ion	NOUN
eurjchem-2498	47	12	are	be	AUX
eurjchem-2498	47	13	reported	report	VERB
eurjchem-2498	47	14	.	.	PUNCT
eurjchem-2498	48	1	the	the	DET
eurjchem-2498	48	2	phenylhydrazone	phenylhydrazone	NOUN
eurjchem-2498	48	3	of	of	ADP
eurjchem-2498	48	4	difluorenylpiperidin-4	difluorenylpiperidin-4	PROPN
eurjchem-2498	48	5	-	-	PUNCT
eurjchem-2498	48	6	one	one	NUM
eurjchem-2498	48	7	shows	show	VERB
eurjchem-2498	48	8	appreciable	appreciable	ADJ
eurjchem-2498	48	9	selectivity	selectivity	NOUN
eurjchem-2498	48	10	and	and	CCONJ
eurjchem-2498	48	11	detection	detection	NOUN
eurjchem-2498	48	12	sensitivity	sensitivity	NOUN
eurjchem-2498	48	13	for	for	ADP
eurjchem-2498	48	14	mg2	mg2	PROPN
eurjchem-2498	48	15	+	+	PROPN
eurjchem-2498	48	16	ions	ion	NOUN
eurjchem-2498	48	17	.	.	PUNCT
eurjchem-2498	49	1	the	the	DET
eurjchem-2498	49	2	molecular	molecular	ADJ
eurjchem-2498	49	3	properties	property	NOUN
eurjchem-2498	49	4	of	of	ADP
eurjchem-2498	49	5	4hydroxy-6	4hydroxy-6	NUM
eurjchem-2498	49	6	-	-	PUNCT
eurjchem-2498	49	7	methyl-3-[(1e)-1-(2	methyl-3-[(1e)-1-(2	NOUN
eurjchem-2498	49	8	-	-	PUNCT
eurjchem-2498	49	9	phenylhydrazinylidene)ethyl]2h	phenylhydrazinylidene)ethyl]2h	NOUN
eurjchem-2498	49	10	-	-	PUNCT
eurjchem-2498	49	11	pyran-2	pyran-2	NOUN
eurjchem-2498	49	12	-	-	PUNCT
eurjchem-2498	49	13	one	one	NUM
eurjchem-2498	49	14	(	(	PUNCT
eurjchem-2498	49	15	dhaa	dhaa	NOUN
eurjchem-2498	49	16	-	-	PUNCT
eurjchem-2498	49	17	ph	ph	NOUN
eurjchem-2498	49	18	)	)	PUNCT
eurjchem-2498	49	19	[	[	X
eurjchem-2498	49	20	12	12	NUM
eurjchem-2498	49	21	]	]	PUNCT
eurjchem-2498	49	22	,	,	PUNCT
eurjchem-2498	49	23	have	have	AUX
eurjchem-2498	49	24	been	be	AUX
eurjchem-2498	49	25	carried	carry	VERB
eurjchem-2498	49	26	out	out	ADP
eurjchem-2498	49	27	using	use	VERB
eurjchem-2498	49	28	the	the	DET
eurjchem-2498	49	29	hybrid	hybrid	ADJ
eurjchem-2498	49	30	density	density	NOUN
eurjchem-2498	49	31	functional	functional	ADJ
eurjchem-2498	49	32	theory	theory	NOUN
eurjchem-2498	49	33	(	(	PUNCT
eurjchem-2498	49	34	dft	dft	NOUN
eurjchem-2498	49	35	)	)	PUNCT
eurjchem-2498	49	36	and	and	CCONJ
eurjchem-2498	49	37	timedependent	timedependent	NOUN
eurjchem-2498	49	38	density	density	NOUN
eurjchem-2498	49	39	functional	functional	ADJ
eurjchem-2498	49	40	theory	theory	NOUN
eurjchem-2498	49	41	(	(	PUNCT
eurjchem-2498	49	42	tdft	tdft	ADJ
eurjchem-2498	49	43	)	)	PUNCT
eurjchem-2498	49	44	methods	method	NOUN
eurjchem-2498	49	45	at	at	ADP
eurjchem-2498	49	46	b3lyp/6	b3lyp/6	PROPN
eurjchem-2498	49	47	-	-	X
eurjchem-2498	49	48	31+g(d	31+g(d	PROPN
eurjchem-2498	49	49	,	,	PUNCT
eurjchem-2498	49	50	p	p	NOUN
eurjchem-2498	49	51	)	)	PUNCT
eurjchem-2498	49	52	levels	level	NOUN
eurjchem-2498	49	53	of	of	ADP
eurjchem-2498	49	54	theory	theory	NOUN
eurjchem-2498	49	55	.	.	PUNCT
eurjchem-2498	50	1	to	to	PART
eurjchem-2498	50	2	substantiate	substantiate	VERB
eurjchem-2498	50	3	the	the	DET
eurjchem-2498	50	4	sensitivity	sensitivity	NOUN
eurjchem-2498	50	5	of	of	ADP
eurjchem-2498	50	6	functionally	functionally	ADV
eurjchem-2498	50	7	applied	apply	VERB
eurjchem-2498	50	8	m06	m06	NOUN
eurjchem-2498	50	9	-	-	PUNCT
eurjchem-2498	50	10	2x/6	2x/6	NUM
eurjchem-2498	50	11	-	-	PUNCT
eurjchem-2498	50	12	311++g(2d,2p	311++g(2d,2p	NUM
eurjchem-2498	50	13	)	)	PUNCT
eurjchem-2498	50	14	and	and	CCONJ
eurjchem-2498	50	15	mpwb1w/6	mpwb1w/6	NOUN
eurjchem-2498	50	16	-	-	PUNCT
eurjchem-2498	50	17	311++g(2d,2p	311++g(2d,2p	NUM
eurjchem-2498	50	18	)	)	PUNCT
eurjchem-2498	50	19	were	be	AUX
eurjchem-2498	50	20	used	use	VERB
eurjchem-2498	50	21	to	to	PART
eurjchem-2498	50	22	calculate	calculate	VERB
eurjchem-2498	50	23	geometric	geometric	ADJ
eurjchem-2498	50	24	,	,	PUNCT
eurjchem-2498	50	25	ir	ir	INTJ
eurjchem-2498	50	26	,	,	PUNCT
eurjchem-2498	50	27	1h	1h	NUM
eurjchem-2498	50	28	nmr	nmr	NOUN
eurjchem-2498	50	29	,	,	PUNCT
eurjchem-2498	50	30	and	and	CCONJ
eurjchem-2498	50	31	energy	energy	NOUN
eurjchem-2498	50	32	gap	gap	NOUN
eurjchem-2498	50	33	calculations	calculation	NOUN
eurjchem-2498	50	34	.	.	PUNCT
eurjchem-2498	51	1	dft	dft	PROPN
eurjchem-2498	51	2	calculations	calculation	NOUN
eurjchem-2498	51	3	with	with	ADP
eurjchem-2498	51	4	m06	m06	NOUN
eurjchem-2498	51	5	-	-	PUNCT
eurjchem-2498	51	6	2x	2x	NOUN
eurjchem-2498	51	7	and	and	CCONJ
eurjchem-2498	51	8	mpwb1w	mpwb1w	ADJ
eurjchem-2498	51	9	were	be	AUX
eurjchem-2498	51	10	predicted	predict	VERB
eurjchem-2498	51	11	to	to	PART
eurjchem-2498	51	12	agree	agree	VERB
eurjchem-2498	51	13	with	with	ADP
eurjchem-2498	51	14	the	the	DET
eurjchem-2498	51	15	experiment	experiment	NOUN
eurjchem-2498	51	16	compared	compare	VERB
eurjchem-2498	51	17	to	to	ADP
eurjchem-2498	51	18	b3lyp	b3lyp	SYM
eurjchem-2498	51	19	functional	functional	ADJ
eurjchem-2498	51	20	.	.	PUNCT
eurjchem-2498	52	1	benzaldehydesemicarbazone	benzaldehydesemicarbazone	NOUN
eurjchem-2498	52	2	(	(	PUNCT
eurjchem-2498	52	3	bsc	bsc	PROPN
eurjchem-2498	52	4	)	)	PUNCT
eurjchem-2498	52	5	was	be	AUX
eurjchem-2498	52	6	grown	grow	VERB
eurjchem-2498	52	7	by	by	ADP
eurjchem-2498	52	8	the	the	DET
eurjchem-2498	52	9	slow	slow	ADJ
eurjchem-2498	52	10	evaporation	evaporation	NOUN
eurjchem-2498	52	11	technique	technique	NOUN
eurjchem-2498	52	12	for	for	ADP
eurjchem-2498	52	13	single	single	ADJ
eurjchem-2498	52	14	crystals	crystal	NOUN
eurjchem-2498	52	15	.	.	PUNCT
eurjchem-2498	53	1	the	the	DET
eurjchem-2498	53	2	grown	grown	ADJ
eurjchem-2498	53	3	crystals	crystal	NOUN
eurjchem-2498	53	4	were	be	AUX
eurjchem-2498	53	5	identified	identify	VERB
eurjchem-2498	53	6	by	by	ADP
eurjchem-2498	53	7	the	the	DET
eurjchem-2498	53	8	xrd	xrd	PROPN
eurjchem-2498	53	9	method	method	NOUN
eurjchem-2498	53	10	.	.	PUNCT
eurjchem-2498	54	1	the	the	DET
eurjchem-2498	54	2	functional	functional	ADJ
eurjchem-2498	54	3	groups	group	NOUN
eurjchem-2498	54	4	were	be	AUX
eurjchem-2498	54	5	identified	identify	VERB
eurjchem-2498	54	6	from	from	ADP
eurjchem-2498	54	7	the	the	DET
eurjchem-2498	54	8	ft	ft	PROPN
eurjchem-2498	54	9	-	-	PUNCT
eurjchem-2498	54	10	ir	ir	NOUN
eurjchem-2498	54	11	spectrum	spectrum	NOUN
eurjchem-2498	54	12	.	.	PUNCT
eurjchem-2498	55	1	uv	uv	NOUN
eurjchem-2498	55	2	-	-	PUNCT
eurjchem-2498	55	3	vis	vis	X
eurjchem-2498	55	4	and	and	CCONJ
eurjchem-2498	55	5	thermal	thermal	ADJ
eurjchem-2498	55	6	gravimetric	gravimetric	ADJ
eurjchem-2498	55	7	analyses	analysis	NOUN
eurjchem-2498	55	8	were	be	AUX
eurjchem-2498	55	9	performed	perform	VERB
eurjchem-2498	55	10	[	[	PUNCT
eurjchem-2498	55	11	13	13	NUM
eurjchem-2498	55	12	]	]	PUNCT
eurjchem-2498	55	13	.	.	PUNCT
eurjchem-2498	56	1	the	the	DET
eurjchem-2498	56	2	data	datum	NOUN
eurjchem-2498	56	3	of	of	ADP
eurjchem-2498	56	4	the	the	DET
eurjchem-2498	56	5	literature	literature	NOUN
eurjchem-2498	56	6	show	show	VERB
eurjchem-2498	56	7	that	that	SCONJ
eurjchem-2498	56	8	no	no	DET
eurjchem-2498	56	9	theoretical	theoretical	ADJ
eurjchem-2498	56	10	studies	study	NOUN
eurjchem-2498	56	11	of	of	ADP
eurjchem-2498	56	12	the	the	DET
eurjchem-2498	56	13	compounds	compound	NOUN
eurjchem-2498	56	14	4((4	4((4	NOUN
eurjchem-2498	56	15	-	-	ADJ
eurjchem-2498	56	16	aminophenyl)diazenyl)-2-((2	aminophenyl)diazenyl)-2-((2	ADJ
eurjchem-2498	56	17	-	-	PUNCT
eurjchem-2498	56	18	phenyl	phenyl	NOUN
eurjchem-2498	56	19	hydrazono)methyl	hydrazono)methyl	NOUN
eurjchem-2498	56	20	)	)	PUNCT
eurjchem-2498	56	21	phenol	phenol	NOUN
eurjchem-2498	56	22	(	(	PUNCT
eurjchem-2498	56	23	1	1	NUM
eurjchem-2498	56	24	)	)	PUNCT
eurjchem-2498	56	25	and	and	CCONJ
eurjchem-2498	56	26	n-(4-((4	n-(4-((4	PROPN
eurjchem-2498	56	27	-	-	PUNCT
eurjchem-2498	56	28	hydroxy-3-((2	hydroxy-3-((2	NOUN
eurjchem-2498	56	29	-	-	ADJ
eurjchem-2498	56	30	phenylhydrazono)methyl)phenyl)-diazenyl)phenyl)acetamide	phenylhydrazono)methyl)phenyl)-diazenyl)phenyl)acetamide	INTJ
eurjchem-2498	56	31	(	(	PUNCT
eurjchem-2498	56	32	2	2	X
eurjchem-2498	56	33	)	)	PUNCT
eurjchem-2498	56	34	was	be	AUX
eurjchem-2498	56	35	studied	study	VERB
eurjchem-2498	56	36	using	use	VERB
eurjchem-2498	56	37	the	the	DET
eurjchem-2498	56	38	dft	dft	PROPN
eurjchem-2498	56	39	/	/	SYM
eurjchem-2498	56	40	b3lyp/6	b3lyp/6	PROPN
eurjchem-2498	56	41	-	-	NOUN
eurjchem-2498	56	42	311+g(d	311+g(d	PROPN
eurjchem-2498	56	43	,	,	PUNCT
eurjchem-2498	56	44	p	p	NOUN
eurjchem-2498	56	45	)	)	PUNCT
eurjchem-2498	56	46	.	.	PUNCT
eurjchem-2498	57	1	compound	compound	NOUN
eurjchem-2498	57	2	1	1	NUM
eurjchem-2498	57	3	is	be	AUX
eurjchem-2498	57	4	not	not	PART
eurjchem-2498	57	5	synthesized	synthesize	VERB
eurjchem-2498	57	6	and	and	CCONJ
eurjchem-2498	57	7	is	be	AUX
eurjchem-2498	57	8	used	use	VERB
eurjchem-2498	57	9	only	only	ADV
eurjchem-2498	57	10	for	for	ADP
eurjchem-2498	57	11	theoretical	theoretical	ADJ
eurjchem-2498	57	12	comparisons	comparison	NOUN
eurjchem-2498	57	13	.	.	PUNCT
eurjchem-2498	58	1	2	2	X
eurjchem-2498	58	2	.	.	X
eurjchem-2498	58	3	experimental	experimental	ADJ
eurjchem-2498	58	4	2.1	2.1	NUM
eurjchem-2498	58	5	.	.	PUNCT
eurjchem-2498	58	6	synthesis	synthesis	NOUN
eurjchem-2498	58	7	of	of	ADP
eurjchem-2498	58	8	n-(4-((4hydroxy-3-((2	n-(4-((4hydroxy-3-((2	NOUN
eurjchem-2498	58	9	-	-	PUNCT
eurjchem-2498	58	10	phenylhydrazono	phenylhydrazono	NOUN
eurjchem-2498	58	11	)	)	PUNCT
eurjchem-2498	58	12	methyl)phenyl)diazenyl)phenyl)acetamide	methyl)phenyl)diazenyl)phenyl)acetamide	ADP
eurjchem-2498	58	13	(	(	PUNCT
eurjchem-2498	58	14	2	2	X
eurjchem-2498	58	15	)	)	PUNCT
eurjchem-2498	58	16	a	a	DET
eurjchem-2498	58	17	substituted	substitute	VERB
eurjchem-2498	58	18	imine	imine	NOUN
eurjchem-2498	58	19	derivative	derivative	NOUN
eurjchem-2498	58	20	was	be	AUX
eurjchem-2498	58	21	synthesized	synthesize	VERB
eurjchem-2498	58	22	as	as	ADP
eurjchem-2498	58	23	a	a	DET
eurjchem-2498	58	24	twostep	twostep	NOUN
eurjchem-2498	58	25	synthetic	synthetic	ADJ
eurjchem-2498	58	26	protocol	protocol	NOUN
eurjchem-2498	58	27	.	.	PUNCT
eurjchem-2498	59	1	to	to	ADP
eurjchem-2498	59	2	the	the	DET
eurjchem-2498	59	3	azo	azo	NOUN
eurjchem-2498	59	4	dye	dye	NOUN
eurjchem-2498	59	5	n-(4-((3	n-(4-((3	NOUN
eurjchem-2498	59	6	-	-	PUNCT
eurjchem-2498	59	7	formyl-4hydroxyphenyl)diazenyl)phenyl)acetamide	formyl-4hydroxyphenyl)diazenyl)phenyl)acetamide	NOUN
eurjchem-2498	59	8	(	(	PUNCT
eurjchem-2498	59	9	parent	parent	NOUN
eurjchem-2498	59	10	compound	compound	NOUN
eurjchem-2498	59	11	)	)	PUNCT
eurjchem-2498	59	12	(	(	PUNCT
eurjchem-2498	59	13	0.4	0.4	NUM
eurjchem-2498	59	14	g	g	NOUN
eurjchem-2498	59	15	)	)	PUNCT
eurjchem-2498	59	16	obtained	obtain	VERB
eurjchem-2498	59	17	,	,	PUNCT
eurjchem-2498	59	18	0.5	0.5	NUM
eurjchem-2498	59	19	g	g	NOUN
eurjchem-2498	59	20	of	of	ADP
eurjchem-2498	59	21	phenylhydrazine	phenylhydrazine	NOUN
eurjchem-2498	59	22	hydrochloride	hydrochloride	NOUN
eurjchem-2498	59	23	and	and	CCONJ
eurjchem-2498	59	24	0.8	0.8	NUM
eurjchem-2498	59	25	g	g	NOUN
eurjchem-2498	59	26	of	of	ADP
eurjchem-2498	59	27	sodium	sodium	NOUN
eurjchem-2498	59	28	acetate	acetate	NOUN
eurjchem-2498	59	29	were	be	AUX
eurjchem-2498	59	30	added	add	VERB
eurjchem-2498	59	31	and	and	CCONJ
eurjchem-2498	59	32	refluxed	refluxe	VERB
eurjchem-2498	59	33	for	for	ADP
eurjchem-2498	59	34	15	15	NUM
eurjchem-2498	59	35	minutes	minute	NOUN
eurjchem-2498	59	36	in	in	ADP
eurjchem-2498	59	37	ethanol	ethanol	NOUN
eurjchem-2498	59	38	to	to	PART
eurjchem-2498	59	39	obtain	obtain	VERB
eurjchem-2498	59	40	compound	compound	NOUN
eurjchem-2498	59	41	(	(	PUNCT
eurjchem-2498	59	42	n-(4-((4	n-(4-((4	NOUN
eurjchem-2498	59	43	-	-	PUNCT
eurjchem-2498	59	44	hydroxy-3-((2phenylhydrazono)methyl)phenyl)diazenyl)phenyl)acetamide	hydroxy-3-((2phenylhydrazono)methyl)phenyl)diazenyl)phenyl)acetamide	NOUN
eurjchem-2498	59	45	)	)	PUNCT
eurjchem-2498	59	46	,	,	PUNCT
eurjchem-2498	59	47	from	from	ADP
eurjchem-2498	59	48	now	now	ADV
eurjchem-2498	59	49	referred	refer	VERB
eurjchem-2498	59	50	to	to	ADP
eurjchem-2498	59	51	as	as	ADP
eurjchem-2498	59	52	compound	compound	NOUN
eurjchem-2498	59	53	2	2	NUM
eurjchem-2498	59	54	,	,	PUNCT
eurjchem-2498	59	55	which	which	PRON
eurjchem-2498	59	56	was	be	AUX
eurjchem-2498	59	57	recrystallized	recrystallize	VERB
eurjchem-2498	59	58	from	from	ADP
eurjchem-2498	59	59	ethanol	ethanol	NOUN
eurjchem-2498	59	60	[	[	X
eurjchem-2498	59	61	14	14	NUM
eurjchem-2498	59	62	]	]	PUNCT
eurjchem-2498	59	63	.	.	PUNCT
eurjchem-2498	60	1	microanalysis	microanalysis	PROPN
eurjchem-2498	60	2	,	,	PUNCT
eurjchem-2498	60	3	ir	ir	PROPN
eurjchem-2498	60	4	,	,	PUNCT
eurjchem-2498	60	5	1h	1h	NUM
eurjchem-2498	60	6	,	,	PUNCT
eurjchem-2498	60	7	13c	13c	NOUN
eurjchem-2498	60	8	nmr	nmr	NOUN
eurjchem-2498	60	9	,	,	PUNCT
eurjchem-2498	60	10	and	and	CCONJ
eurjchem-2498	60	11	uv	uv	NOUN
eurjchem-2498	60	12	spectra	spectra	NOUN
eurjchem-2498	60	13	characterized	characterize	VERB
eurjchem-2498	60	14	the	the	DET
eurjchem-2498	60	15	compound	compound	NOUN
eurjchem-2498	60	16	obtained	obtain	VERB
eurjchem-2498	60	17	.	.	PUNCT
eurjchem-2498	61	1	the	the	DET
eurjchem-2498	61	2	synthesized	synthesize	VERB
eurjchem-2498	61	3	compound	compound	NOUN
eurjchem-2498	61	4	2	2	NUM
eurjchem-2498	61	5	and	and	CCONJ
eurjchem-2498	61	6	its	its	PRON
eurjchem-2498	61	7	amine	amine	ADJ
eurjchem-2498	61	8	counterpart	counterpart	NOUN
eurjchem-2498	61	9	4-((4	4-((4	NUM
eurjchem-2498	61	10	-	-	PUNCT
eurjchem-2498	61	11	amino	amino	NOUN
eurjchem-2498	61	12	phenyl	phenyl	NOUN
eurjchem-2498	61	13	)	)	PUNCT
eurjchem-2498	61	14	diazenyl)-2-((2	diazenyl)-2-((2	NOUN
eurjchem-2498	61	15	-	-	PUNCT
eurjchem-2498	61	16	phenylhydrazono)methyl)phenol	phenylhydrazono)methyl)phenol	NOUN
eurjchem-2498	61	17	from	from	ADP
eurjchem-2498	61	18	now	now	ADV
eurjchem-2498	61	19	on	on	ADV
eurjchem-2498	61	20	referred	refer	VERB
eurjchem-2498	61	21	to	to	ADP
eurjchem-2498	61	22	as	as	SCONJ
eurjchem-2498	61	23	compound	compound	NOUN
eurjchem-2498	61	24	1	1	NUM
eurjchem-2498	61	25	were	be	AUX
eurjchem-2498	61	26	studied	study	VERB
eurjchem-2498	61	27	using	use	VERB
eurjchem-2498	61	28	the	the	DET
eurjchem-2498	61	29	dft	dft	PROPN
eurjchem-2498	61	30	method	method	NOUN
eurjchem-2498	61	31	(	(	PUNCT
eurjchem-2498	61	32	scheme	scheme	NOUN
eurjchem-2498	61	33	1	1	NUM
eurjchem-2498	61	34	)	)	PUNCT
eurjchem-2498	61	35	.	.	PUNCT
eurjchem-2498	62	1	n-(4-((4	n-(4-((4	PROPN
eurjchem-2498	62	2	-	-	PUNCT
eurjchem-2498	62	3	hydroxy-3-((2	hydroxy-3-((2	ADJ
eurjchem-2498	62	4	-	-	ADJ
eurjchem-2498	62	5	phenyl	phenyl	ADJ
eurjchem-2498	62	6	hydrazono)methyl)phenyl	hydrazono)methyl)phenyl	NOUN
eurjchem-2498	62	7	)	)	PUNCT
eurjchem-2498	62	8	diazenyl)phenyl)acetamide	diazenyl)phenyl)acetamide	NOUN
eurjchem-2498	62	9	(	(	PUNCT
eurjchem-2498	62	10	2	2	NUM
eurjchem-2498	62	11	):	):	PUNCT
eurjchem-2498	62	12	color	color	NOUN
eurjchem-2498	62	13	:	:	PUNCT
eurjchem-2498	62	14	yellow	yellow	ADJ
eurjchem-2498	62	15	.	.	PUNCT
eurjchem-2498	63	1	yield	yield	NOUN
eurjchem-2498	63	2	:	:	PUNCT
eurjchem-2498	63	3	78	78	NUM
eurjchem-2498	63	4	%	%	NOUN
eurjchem-2498	63	5	.	.	PUNCT
eurjchem-2498	64	1	m.p	m.p	PROPN
eurjchem-2498	64	2	.	.	PROPN
eurjchem-2498	64	3	:	:	PUNCT
eurjchem-2498	65	1	120	120	NUM
eurjchem-2498	65	2	-	-	SYM
eurjchem-2498	65	3	122	122	NUM
eurjchem-2498	65	4	°	°	SYM
eurjchem-2498	65	5	c	c	NOUN
eurjchem-2498	65	6	.	.	PUNCT
eurjchem-2498	66	1	ft	ft	PROPN
eurjchem-2498	66	2	-	-	PUNCT
eurjchem-2498	66	3	ir	ir	PROPN
eurjchem-2498	66	4	(	(	PUNCT
eurjchem-2498	66	5	kbr	kbr	PROPN
eurjchem-2498	66	6	,	,	PUNCT
eurjchem-2498	66	7	ν	ν	PROPN
eurjchem-2498	66	8	,	,	PUNCT
eurjchem-2498	66	9	cm-1	cm-1	NUM
eurjchem-2498	66	10	):	):	PUNCT
eurjchem-2498	66	11	3300	3300	NUM
eurjchem-2498	66	12	(	(	PUNCT
eurjchem-2498	66	13	oh	oh	INTJ
eurjchem-2498	66	14	)	)	PUNCT
eurjchem-2498	66	15	,	,	PUNCT
eurjchem-2498	66	16	1650	1650	NUM
eurjchem-2498	66	17	(	(	PUNCT
eurjchem-2498	66	18	c	c	NOUN
eurjchem-2498	66	19	=	=	NOUN
eurjchem-2498	66	20	o	o	NOUN
eurjchem-2498	66	21	)	)	PUNCT
eurjchem-2498	66	22	.	.	PUNCT
eurjchem-2498	67	1	1h	1h	NUM
eurjchem-2498	67	2	nmr	nmr	NOUN
eurjchem-2498	67	3	(	(	PUNCT
eurjchem-2498	67	4	400	400	NUM
eurjchem-2498	67	5	mhz	mhz	NOUN
eurjchem-2498	67	6	,	,	PUNCT
eurjchem-2498	67	7	dmso	dmso	NOUN
eurjchem-2498	67	8	-	-	PUNCT
eurjchem-2498	67	9	d6	d6	NOUN
eurjchem-2498	67	10	,	,	PUNCT
eurjchem-2498	67	11	ppm	ppm	NOUN
eurjchem-2498	67	12	):	):	PUNCT
eurjchem-2498	67	13	11.12	11.12	NUM
eurjchem-2498	67	14	(	(	PUNCT
eurjchem-2498	67	15	s	s	PROPN
eurjchem-2498	67	16	,	,	PUNCT
eurjchem-2498	67	17	1h	1h	NUM
eurjchem-2498	67	18	,	,	PUNCT
eurjchem-2498	67	19	nh	nh	PROPN
eurjchem-2498	67	20	)	)	PUNCT
eurjchem-2498	67	21	,	,	PUNCT
eurjchem-2498	67	22	10.56	10.56	NUM
eurjchem-2498	67	23	(	(	PUNCT
eurjchem-2498	67	24	s	s	PROPN
eurjchem-2498	67	25	,	,	PUNCT
eurjchem-2498	67	26	1h	1h	NUM
eurjchem-2498	67	27	,	,	PUNCT
eurjchem-2498	67	28	nh	nh	PROPN
eurjchem-2498	67	29	)	)	PUNCT
eurjchem-2498	67	30	,	,	PUNCT
eurjchem-2498	67	31	10.29	10.29	NUM
eurjchem-2498	67	32	(	(	PUNCT
eurjchem-2498	67	33	s	s	PROPN
eurjchem-2498	67	34	,	,	PUNCT
eurjchem-2498	67	35	1h	1h	NUM
eurjchem-2498	67	36	,	,	PUNCT
eurjchem-2498	67	37	oh	oh	INTJ
eurjchem-2498	67	38	)	)	PUNCT
eurjchem-2498	67	39	,	,	PUNCT
eurjchem-2498	67	40	8.223	8.223	NUM
eurjchem-2498	67	41	-	-	SYM
eurjchem-2498	67	42	6.772	6.772	NUM
eurjchem-2498	67	43	(	(	PUNCT
eurjchem-2498	67	44	m	m	PROPN
eurjchem-2498	67	45	,	,	PUNCT
eurjchem-2498	67	46	12h	12h	NUM
eurjchem-2498	67	47	,	,	PUNCT
eurjchem-2498	67	48	arh	arh	VERB
eurjchem-2498	67	49	+	+	CCONJ
eurjchem-2498	67	50	1h	1h	NUM
eurjchem-2498	67	51	,	,	PUNCT
eurjchem-2498	67	52	ch	ch	NOUN
eurjchem-2498	67	53	=	=	NOUN
eurjchem-2498	67	54	n	n	CCONJ
eurjchem-2498	67	55	)	)	PUNCT
eurjchem-2498	67	56	,	,	PUNCT
eurjchem-2498	67	57	2.098	2.098	NUM
eurjchem-2498	67	58	(	(	PUNCT
eurjchem-2498	67	59	s	s	PROPN
eurjchem-2498	67	60	,	,	PUNCT
eurjchem-2498	67	61	3h	3h	NUM
eurjchem-2498	67	62	,	,	PUNCT
eurjchem-2498	67	63	ch3	ch3	PROPN
eurjchem-2498	67	64	)	)	PUNCT
eurjchem-2498	67	65	.	.	PUNCT
eurjchem-2498	68	1	13c	13c	NOUN
eurjchem-2498	68	2	nmr	nmr	NOUN
eurjchem-2498	68	3	(	(	PUNCT
eurjchem-2498	68	4	100	100	NUM
eurjchem-2498	68	5	mhz	mhz	NOUN
eurjchem-2498	68	6	,	,	PUNCT
eurjchem-2498	68	7	dmso	dmso	NOUN
eurjchem-2498	68	8	-	-	PUNCT
eurjchem-2498	68	9	d6	d6	NOUN
eurjchem-2498	68	10	,	,	PUNCT
eurjchem-2498	68	11	ppm	ppm	NOUN
eurjchem-2498	68	12	):	):	PUNCT
eurjchem-2498	68	13	169.17	169.17	NUM
eurjchem-2498	68	14	(	(	PUNCT
eurjchem-2498	68	15	c	c	NOUN
eurjchem-2498	68	16	-	-	PUNCT
eurjchem-2498	68	17	o	o	NOUN
eurjchem-2498	68	18	)	)	PUNCT
eurjchem-2498	68	19	,	,	PUNCT
eurjchem-2498	68	20	158.53	158.53	NUM
eurjchem-2498	68	21	(	(	PUNCT
eurjchem-2498	68	22	c	c	NOUN
eurjchem-2498	68	23	=	=	SYM
eurjchem-2498	68	24	n	n	NUM
eurjchem-2498	68	25	)	)	PUNCT
eurjchem-2498	68	26	,	,	PUNCT
eurjchem-2498	68	27	148.00	148.00	NUM
eurjchem-2498	68	28	(	(	PUNCT
eurjchem-2498	68	29	c	c	NOUN
eurjchem-2498	68	30	-	-	PUNCT
eurjchem-2498	68	31	n	n	CCONJ
eurjchem-2498	68	32	)	)	PUNCT
eurjchem-2498	68	33	,	,	PUNCT
eurjchem-2498	68	34	145.90	145.90	NUM
eurjchem-2498	68	35	(	(	PUNCT
eurjchem-2498	68	36	c	c	NOUN
eurjchem-2498	68	37	-	-	PUNCT
eurjchem-2498	68	38	n	n	CCONJ
eurjchem-2498	68	39	)	)	PUNCT
eurjchem-2498	68	40	,	,	PUNCT
eurjchem-2498	68	41	145.18	145.18	NUM
eurjchem-2498	68	42	(	(	PUNCT
eurjchem-2498	68	43	c	c	NOUN
eurjchem-2498	68	44	-	-	PUNCT
eurjchem-2498	68	45	n	n	CCONJ
eurjchem-2498	68	46	)	)	PUNCT
eurjchem-2498	68	47	,	,	PUNCT
eurjchem-2498	68	48	142.20	142.20	NUM
eurjchem-2498	68	49	,	,	PUNCT
eurjchem-2498	68	50	139.00	139.00	NUM
eurjchem-2498	68	51	,	,	PUNCT
eurjchem-2498	68	52	137.00	137.00	NUM
eurjchem-2498	68	53	,	,	PUNCT
eurjchem-2498	68	54	129.77	129.77	NUM
eurjchem-2498	68	55	,	,	PUNCT
eurjchem-2498	68	56	129.77	129.77	NUM
eurjchem-2498	68	57	,	,	PUNCT
eurjchem-2498	68	58	123.7	123.7	NUM
eurjchem-2498	68	59	,	,	PUNCT
eurjchem-2498	68	60	119.60	119.60	NUM
eurjchem-2498	68	61	,	,	PUNCT
eurjchem-2498	68	62	112.18	112.18	NUM
eurjchem-2498	68	63	(	(	PUNCT
eurjchem-2498	68	64	ar	ar	NOUN
eurjchem-2498	68	65	-	-	NOUN
eurjchem-2498	68	66	c	c	NOUN
eurjchem-2498	68	67	)	)	PUNCT
eurjchem-2498	68	68	,	,	PUNCT
eurjchem-2498	68	69	24.00	24.00	NUM
eurjchem-2498	68	70	(	(	PUNCT
eurjchem-2498	68	71	c	c	NOUN
eurjchem-2498	68	72	-	-	PUNCT
eurjchem-2498	68	73	h	h	NOUN
eurjchem-2498	68	74	)	)	PUNCT
eurjchem-2498	68	75	.	.	PUNCT
eurjchem-2498	69	1	anal	anal	PROPN
eurjchem-2498	69	2	.	.	PUNCT
eurjchem-2498	69	3	calcd	calcd	NOUN
eurjchem-2498	69	4	.	.	PUNCT
eurjchem-2498	70	1	for	for	SCONJ
eurjchem-2498	70	2	c21h19n5o2	c21h19n5o2	PROPN
eurjchem-2498	70	3	:	:	PUNCT
eurjchem-2498	70	4	c	c	X
eurjchem-2498	70	5	,	,	PUNCT
eurjchem-2498	70	6	67.55	67.55	NUM
eurjchem-2498	70	7	;	;	PUNCT
eurjchem-2498	70	8	h	h	NOUN
eurjchem-2498	70	9	,	,	PUNCT
eurjchem-2498	70	10	5.13	5.13	NUM
eurjchem-2498	70	11	;	;	PUNCT
eurjchem-2498	70	12	n	n	CCONJ
eurjchem-2498	70	13	,	,	PUNCT
eurjchem-2498	70	14	18.76	18.76	NUM
eurjchem-2498	70	15	.	.	PUNCT
eurjchem-2498	70	16	found	find	VERB
eurjchem-2498	70	17	:	:	PUNCT
eurjchem-2498	71	1	c	c	X
eurjchem-2498	71	2	,	,	PUNCT
eurjchem-2498	71	3	67.05	67.05	NUM
eurjchem-2498	71	4	;	;	PUNCT
eurjchem-2498	72	1	h	h	NOUN
eurjchem-2498	72	2	,	,	PUNCT
eurjchem-2498	72	3	5.08	5.08	NUM
eurjchem-2498	72	4	;	;	PUNCT
eurjchem-2498	72	5	n	n	CCONJ
eurjchem-2498	72	6	,	,	PUNCT
eurjchem-2498	72	7	18.70	18.70	NUM
eurjchem-2498	72	8	%	%	NOUN
eurjchem-2498	72	9	.	.	PUNCT
eurjchem-2498	73	1	uv	uv	NOUN
eurjchem-2498	73	2	/	/	SYM
eurjchem-2498	73	3	vis	vis	X
eurjchem-2498	73	4	(	(	PUNCT
eurjchem-2498	73	5	chcl3	chcl3	PROPN
eurjchem-2498	73	6	,	,	PUNCT
eurjchem-2498	73	7	λmax	λmax	NOUN
eurjchem-2498	73	8	,	,	PUNCT
eurjchem-2498	73	9	nm	nm	NOUN
eurjchem-2498	73	10	,	,	PUNCT
eurjchem-2498	73	11	(	(	PUNCT
eurjchem-2498	73	12	ε	ε	PROPN
eurjchem-2498	73	13	)	)	PUNCT
eurjchem-2498	73	14	):	):	PUNCT
eurjchem-2498	73	15	355	355	NUM
eurjchem-2498	73	16	(	(	PUNCT
eurjchem-2498	73	17	3.62	3.62	NUM
eurjchem-2498	73	18	)	)	PUNCT
eurjchem-2498	73	19	.	.	PUNCT
eurjchem-2498	74	1	2.2	2.2	NUM
eurjchem-2498	74	2	.	.	PUNCT
eurjchem-2498	74	3	computational	computational	ADJ
eurjchem-2498	74	4	details	detail	NOUN
eurjchem-2498	74	5	geometry	geometry	NOUN
eurjchem-2498	74	6	optimization	optimization	NOUN
eurjchem-2498	74	7	and	and	CCONJ
eurjchem-2498	74	8	vibrational	vibrational	ADJ
eurjchem-2498	74	9	frequency	frequency	NOUN
eurjchem-2498	74	10	calculations	calculation	NOUN
eurjchem-2498	74	11	have	have	AUX
eurjchem-2498	74	12	been	be	AUX
eurjchem-2498	74	13	performed	perform	VERB
eurjchem-2498	74	14	at	at	ADP
eurjchem-2498	74	15	dft	dft	PROPN
eurjchem-2498	74	16	hybrid	hybrid	PROPN
eurjchem-2498	74	17	b3lyp/6311+g(d	b3lyp/6311+g(d	PROPN
eurjchem-2498	74	18	,	,	PUNCT
eurjchem-2498	74	19	p	p	NOUN
eurjchem-2498	74	20	)	)	PUNCT
eurjchem-2498	74	21	level	level	NOUN
eurjchem-2498	74	22	theory	theory	NOUN
eurjchem-2498	74	23	.	.	PUNCT
eurjchem-2498	75	1	the	the	DET
eurjchem-2498	75	2	general	general	ADJ
eurjchem-2498	75	3	tendency	tendency	NOUN
eurjchem-2498	75	4	of	of	ADP
eurjchem-2498	75	5	the	the	DET
eurjchem-2498	75	6	quantum	quantum	ADJ
eurjchem-2498	75	7	chemical	chemical	NOUN
eurjchem-2498	75	8	method	method	NOUN
eurjchem-2498	75	9	is	be	AUX
eurjchem-2498	75	10	to	to	PART
eurjchem-2498	75	11	overestimate	overestimate	VERB
eurjchem-2498	75	12	the	the	DET
eurjchem-2498	75	13	force	force	NOUN
eurjchem-2498	75	14	constant	constant	ADJ
eurjchem-2498	75	15	at	at	ADP
eurjchem-2498	75	16	the	the	DET
eurjchem-2498	75	17	exact	exact	ADJ
eurjchem-2498	75	18	equilibrium	equilibrium	NOUN
eurjchem-2498	75	19	geometry	geometry	NOUN
eurjchem-2498	75	20	of	of	ADP
eurjchem-2498	75	21	the	the	DET
eurjchem-2498	75	22	molecule	molecule	NOUN
eurjchem-2498	75	23	[	[	X
eurjchem-2498	75	24	15	15	NUM
eurjchem-2498	75	25	]	]	PUNCT
eurjchem-2498	75	26	.	.	PUNCT
eurjchem-2498	76	1	hence	hence	ADV
eurjchem-2498	76	2	,	,	PUNCT
eurjchem-2498	76	3	the	the	DET
eurjchem-2498	76	4	hybrid	hybrid	PROPN
eurjchem-2498	76	5	dft	dft	PROPN
eurjchem-2498	76	6	hybrid	hybrid	PROPN
eurjchem-2498	76	7	b3lyp	b3lyp	PROPN
eurjchem-2498	76	8	functional	functional	ADJ
eurjchem-2498	76	9	method	method	NOUN
eurjchem-2498	76	10	was	be	AUX
eurjchem-2498	76	11	used	use	VERB
eurjchem-2498	76	12	for	for	ADP
eurjchem-2498	76	13	obtaining	obtain	VERB
eurjchem-2498	76	14	considerably	considerably	ADV
eurjchem-2498	76	15	better	well	ADJ
eurjchem-2498	76	16	agreement	agreement	NOUN
eurjchem-2498	76	17	with	with	ADP
eurjchem-2498	76	18	experimental	experimental	ADJ
eurjchem-2498	76	19	data	datum	NOUN
eurjchem-2498	76	20	[	[	X
eurjchem-2498	76	21	16	16	NUM
eurjchem-2498	76	22	]	]	PUNCT
eurjchem-2498	76	23	.	.	PUNCT
eurjchem-2498	77	1	the	the	DET
eurjchem-2498	77	2	molecular	molecular	ADJ
eurjchem-2498	77	3	orbital	orbital	NOUN
eurjchem-2498	77	4	(	(	PUNCT
eurjchem-2498	77	5	mo	mo	NOUN
eurjchem-2498	77	6	)	)	PUNCT
eurjchem-2498	77	7	figures	figure	NOUN
eurjchem-2498	77	8	were	be	AUX
eurjchem-2498	77	9	prepared	prepare	VERB
eurjchem-2498	77	10	using	use	VERB
eurjchem-2498	77	11	the	the	DET
eurjchem-2498	77	12	gaussview	gaussview	NOUN
eurjchem-2498	77	13	3.09	3.09	NUM
eurjchem-2498	77	14	package	package	NOUN
eurjchem-2498	77	15	[	[	X
eurjchem-2498	77	16	17	17	NUM
eurjchem-2498	77	17	]	]	PUNCT
eurjchem-2498	77	18	with	with	ADP
eurjchem-2498	77	19	a	a	DET
eurjchem-2498	77	20	contour	contour	NOUN
eurjchem-2498	77	21	value	value	NOUN
eurjchem-2498	77	22	of	of	ADP
eurjchem-2498	77	23	0.020	0.020	NUM
eurjchem-2498	77	24	,	,	PUNCT
eurjchem-2498	77	25	and	and	CCONJ
eurjchem-2498	77	26	the	the	DET
eurjchem-2498	77	27	molecular	molecular	ADJ
eurjchem-2498	77	28	orbital	orbital	ADJ
eurjchem-2498	77	29	contributions	contribution	NOUN
eurjchem-2498	77	30	(	(	PUNCT
eurjchem-2498	77	31	mocs	moc	NOUN
eurjchem-2498	77	32	)	)	PUNCT
eurjchem-2498	77	33	of	of	ADP
eurjchem-2498	77	34	different	different	ADJ
eurjchem-2498	77	35	molecular	molecular	ADJ
eurjchem-2498	77	36	parts	part	NOUN
eurjchem-2498	77	37	were	be	AUX
eurjchem-2498	77	38	calculated	calculate	VERB
eurjchem-2498	77	39	at	at	ADP
eurjchem-2498	77	40	the	the	DET
eurjchem-2498	77	41	b3lyp/6311+g(d	b3lyp/6311+g(d	PROPN
eurjchem-2498	77	42	,	,	PUNCT
eurjchem-2498	77	43	p	p	NOUN
eurjchem-2498	77	44	)	)	PUNCT
eurjchem-2498	77	45	level	level	NOUN
eurjchem-2498	77	46	.	.	PUNCT
eurjchem-2498	78	1	a	a	DET
eurjchem-2498	78	2	great	great	ADJ
eurjchem-2498	78	3	variety	variety	NOUN
eurjchem-2498	78	4	of	of	ADP
eurjchem-2498	78	5	quantum	quantum	ADJ
eurjchem-2498	78	6	chemical	chemical	NOUN
eurjchem-2498	78	7	indices	index	NOUN
eurjchem-2498	78	8	were	be	AUX
eurjchem-2498	78	9	taken	take	VERB
eurjchem-2498	78	10	from	from	ADP
eurjchem-2498	78	11	the	the	DET
eurjchem-2498	78	12	calculation	calculation	NOUN
eurjchem-2498	78	13	results	result	NOUN
eurjchem-2498	78	14	,	,	PUNCT
eurjchem-2498	78	15	such	such	ADJ
eurjchem-2498	78	16	as	as	ADP
eurjchem-2498	78	17	the	the	DET
eurjchem-2498	78	18	energy	energy	NOUN
eurjchem-2498	78	19	of	of	ADP
eurjchem-2498	78	20	the	the	DET
eurjchem-2498	78	21	highest	high	ADJ
eurjchem-2498	78	22	occupied	occupy	VERB
eurjchem-2498	78	23	molecular	molecular	ADJ
eurjchem-2498	78	24	orbital	orbital	ADJ
eurjchem-2498	78	25	(	(	PUNCT
eurjchem-2498	78	26	homo	homo	NOUN
eurjchem-2498	78	27	)	)	PUNCT
eurjchem-2498	78	28	,	,	PUNCT
eurjchem-2498	78	29	the	the	DET
eurjchem-2498	78	30	energy	energy	NOUN
eurjchem-2498	78	31	of	of	ADP
eurjchem-2498	78	32	the	the	DET
eurjchem-2498	78	33	lowest	low	ADJ
eurjchem-2498	78	34	unoccupied	unoccupied	ADJ
eurjchem-2498	78	35	molecular	molecular	ADJ
eurjchem-2498	78	36	orbital	orbital	ADJ
eurjchem-2498	78	37	(	(	PUNCT
eurjchem-2498	78	38	lumo	lumo	NOUN
eurjchem-2498	78	39	)	)	PUNCT
eurjchem-2498	78	40	,	,	PUNCT
eurjchem-2498	78	41	electronegativity	electronegativity	NOUN
eurjchem-2498	78	42	,	,	PUNCT
eurjchem-2498	78	43	global	global	ADJ
eurjchem-2498	78	44	hardness	hardness	NOUN
eurjchem-2498	78	45	and	and	CCONJ
eurjchem-2498	78	46	softness	softness	NOUN
eurjchem-2498	78	47	,	,	PUNCT
eurjchem-2498	78	48	electron	electron	NOUN
eurjchem-2498	78	49	affinity	affinity	NOUN
eurjchem-2498	78	50	,	,	PUNCT
eurjchem-2498	78	51	ionization	ionization	NOUN
eurjchem-2498	78	52	potential	potential	NOUN
eurjchem-2498	78	53	,	,	PUNCT
eurjchem-2498	78	54	etc	etc	X
eurjchem-2498	78	55	.	.	X
eurjchem-2498	79	1	these	these	DET
eurjchem-2498	79	2	quantities	quantity	NOUN
eurjchem-2498	79	3	are	be	AUX
eurjchem-2498	79	4	often	often	ADV
eurjchem-2498	79	5	defined	define	VERB
eurjchem-2498	79	6	following	follow	VERB
eurjchem-2498	79	7	the	the	DET
eurjchem-2498	79	8	koopmans	koopman	NOUN
eurjchem-2498	79	9	’	'	PUNCT
eurjchem-2498	79	10	theorem	theorem	VERB
eurjchem-2498	79	11	[	[	X
eurjchem-2498	79	12	18	18	NUM
eurjchem-2498	79	13	]	]	PUNCT
eurjchem-2498	79	14	.	.	PUNCT
eurjchem-2498	80	1	electronegativity	electronegativity	NOUN
eurjchem-2498	80	2	(	(	PUNCT
eurjchem-2498	80	3	χ	χ	X
eurjchem-2498	80	4	)	)	PUNCT
eurjchem-2498	80	5	is	be	AUX
eurjchem-2498	80	6	the	the	DET
eurjchem-2498	80	7	measure	measure	NOUN
eurjchem-2498	80	8	of	of	ADP
eurjchem-2498	80	9	the	the	DET
eurjchem-2498	80	10	power	power	NOUN
eurjchem-2498	80	11	of	of	ADP
eurjchem-2498	80	12	an	an	DET
eurjchem-2498	80	13	electron	electron	NOUN
eurjchem-2498	80	14	or	or	CCONJ
eurjchem-2498	80	15	a	a	DET
eurjchem-2498	80	16	group	group	NOUN
eurjchem-2498	80	17	of	of	ADP
eurjchem-2498	80	18	atoms	atom	NOUN
eurjchem-2498	80	19	to	to	PART
eurjchem-2498	80	20	attract	attract	VERB
eurjchem-2498	80	21	electrons	electron	NOUN
eurjchem-2498	80	22	toward	toward	ADP
eurjchem-2498	80	23	itself	itself	PRON
eurjchem-2498	80	24	[	[	X
eurjchem-2498	80	25	19	19	NUM
eurjchem-2498	80	26	]	]	PUNCT
eurjchem-2498	80	27	,	,	PUNCT
eurjchem-2498	80	28	and	and	CCONJ
eurjchem-2498	80	29	according	accord	VERB
eurjchem-2498	80	30	to	to	ADP
eurjchem-2498	80	31	the	the	DET
eurjchem-2498	80	32	koopmans	koopman	NOUN
eurjchem-2498	80	33	’	'	PUNCT
eurjchem-2498	80	34	theorem	theorem	PROPN
eurjchem-2498	80	35	,	,	PUNCT
eurjchem-2498	80	36	it	it	PRON
eurjchem-2498	80	37	was	be	AUX
eurjchem-2498	80	38	estimated	estimate	VERB
eurjchem-2498	80	39	using	use	VERB
eurjchem-2498	80	40	equation	equation	NOUN
eurjchem-2498	80	41	1	1	NUM
eurjchem-2498	80	42	,	,	PUNCT
eurjchem-2498	80	43	so	so	ADV
eurjchem-2498	80	44	the	the	DET
eurjchem-2498	80	45	other	other	ADJ
eurjchem-2498	80	46	global	global	ADJ
eurjchem-2498	80	47	parameters	parameter	NOUN
eurjchem-2498	80	48	were	be	AUX
eurjchem-2498	80	49	calculated	calculate	VERB
eurjchem-2498	80	50	using	use	VERB
eurjchem-2498	80	51	equations	equation	NOUN
eurjchem-2498	80	52	2	2	NUM
eurjchem-2498	80	53	-	-	SYM
eurjchem-2498	80	54	4	4	NUM
eurjchem-2498	80	55	.	.	NOUN
eurjchem-2498	80	56	52	52	NUM
eurjchem-2498	80	57	siluvairaj	siluvairaj	VERB
eurjchem-2498	80	58	et	et	PROPN
eurjchem-2498	80	59	al	al	PROPN
eurjchem-2498	80	60	.	.	PUNCT
eurjchem-2498	80	61	/	/	SYM
eurjchem-2498	80	62	european	european	PROPN
eurjchem-2498	80	63	journal	journal	PROPN
eurjchem-2498	80	64	of	of	ADP
eurjchem-2498	80	65	chemistry	chemistry	NOUN
eurjchem-2498	80	66	15	15	NUM
eurjchem-2498	80	67	(	(	PUNCT
eurjchem-2498	80	68	1	1	NUM
eurjchem-2498	80	69	)	)	PUNCT
eurjchem-2498	80	70	(	(	PUNCT
eurjchem-2498	80	71	2024	2024	NUM
eurjchem-2498	80	72	)	)	PUNCT
eurjchem-2498	80	73	50	50	NUM
eurjchem-2498	80	74	-	-	SYM
eurjchem-2498	80	75	70	70	NUM
eurjchem-2498	80	76	2024	2024	NUM
eurjchem-2498	80	77	–	–	PUNCT
eurjchem-2498	80	78	european	european	ADJ
eurjchem-2498	80	79	journal	journal	NOUN
eurjchem-2498	80	80	of	of	ADP
eurjchem-2498	80	81	chemistry	chemistry	NOUN
eurjchem-2498	80	82	–	–	PUNCT
eurjchem-2498	80	83	cc	cc	NOUN
eurjchem-2498	80	84	by	by	ADP
eurjchem-2498	80	85	nc	nc	PROPN
eurjchem-2498	80	86	–	–	PUNCT
eurjchem-2498	80	87	doi	doi	NOUN
eurjchem-2498	80	88	:	:	PUNCT
eurjchem-2498	80	89	10.5155	10.5155	NUM
eurjchem-2498	80	90	/	/	SYM
eurjchem-2498	80	91	eurjchem.15.1.50	eurjchem.15.1.50	ADJ
eurjchem-2498	80	92	-	-	SYM
eurjchem-2498	80	93	70.2498	70.2498	NUM
eurjchem-2498	80	94	figure	figure	NOUN
eurjchem-2498	80	95	1	1	NUM
eurjchem-2498	80	96	.	.	PUNCT
eurjchem-2498	80	97	optimized	optimize	VERB
eurjchem-2498	80	98	structure	structure	NOUN
eurjchem-2498	80	99	of	of	ADP
eurjchem-2498	80	100	compound	compound	NOUN
eurjchem-2498	80	101	1	1	NUM
eurjchem-2498	80	102	.	.	PUNCT
eurjchem-2498	81	1	figure	figure	NOUN
eurjchem-2498	81	2	2	2	NUM
eurjchem-2498	81	3	.	.	PUNCT
eurjchem-2498	81	4	optimized	optimize	VERB
eurjchem-2498	81	5	structure	structure	NOUN
eurjchem-2498	81	6	of	of	ADP
eurjchem-2498	81	7	compound	compound	NOUN
eurjchem-2498	81	8	2	2	NUM
eurjchem-2498	81	9	.	.	PUNCT
eurjchem-2498	82	1	the	the	DET
eurjchem-2498	82	2	fukui	fukui	PROPN
eurjchem-2498	82	3	function	function	PROPN
eurjchem-2498	82	4	(	(	PUNCT
eurjchem-2498	82	5	ff	ff	NOUN
eurjchem-2498	82	6	)	)	PUNCT
eurjchem-2498	82	7	[	[	X
eurjchem-2498	82	8	20	20	NUM
eurjchem-2498	82	9	]	]	PUNCT
eurjchem-2498	82	10	is	be	AUX
eurjchem-2498	82	11	one	one	NUM
eurjchem-2498	82	12	of	of	ADP
eurjchem-2498	82	13	the	the	DET
eurjchem-2498	82	14	most	most	ADV
eurjchem-2498	82	15	widely	widely	ADV
eurjchem-2498	82	16	used	use	VERB
eurjchem-2498	82	17	local	local	ADJ
eurjchem-2498	82	18	density	density	NOUN
eurjchem-2498	82	19	functional	functional	ADJ
eurjchem-2498	82	20	descriptors	descriptor	NOUN
eurjchem-2498	82	21	to	to	AUX
eurjchem-2498	82	22	model	model	VERB
eurjchem-2498	82	23	chemical	chemical	NOUN
eurjchem-2498	82	24	reactivity	reactivity	NOUN
eurjchem-2498	82	25	and	and	CCONJ
eurjchem-2498	82	26	site	site	NOUN
eurjchem-2498	82	27	selectivity	selectivity	NOUN
eurjchem-2498	82	28	.	.	PUNCT
eurjchem-2498	83	1	it	it	PRON
eurjchem-2498	83	2	is	be	AUX
eurjchem-2498	83	3	defined	define	VERB
eurjchem-2498	83	4	as	as	ADP
eurjchem-2498	83	5	the	the	DET
eurjchem-2498	83	6	derivative	derivative	NOUN
eurjchem-2498	83	7	of	of	ADP
eurjchem-2498	83	8	the	the	DET
eurjchem-2498	83	9	electron	electron	NOUN
eurjchem-2498	83	10	density	density	NOUN
eurjchem-2498	83	11	ρ(r	ρ(r	PROPN
eurjchem-2498	83	12	)	)	PUNCT
eurjchem-2498	83	13	with	with	ADP
eurjchem-2498	83	14	respect	respect	NOUN
eurjchem-2498	83	15	to	to	ADP
eurjchem-2498	83	16	the	the	DET
eurjchem-2498	83	17	total	total	ADJ
eurjchem-2498	83	18	number	number	NOUN
eurjchem-2498	83	19	of	of	ADP
eurjchem-2498	83	20	electrons	electron	NOUN
eurjchem-2498	83	21	n	n	CCONJ
eurjchem-2498	83	22	in	in	ADP
eurjchem-2498	83	23	the	the	DET
eurjchem-2498	83	24	system	system	NOUN
eurjchem-2498	83	25	at	at	ADP
eurjchem-2498	83	26	a	a	DET
eurjchem-2498	83	27	constant	constant	ADJ
eurjchem-2498	83	28	external	external	ADJ
eurjchem-2498	83	29	potential	potential	ADJ
eurjchem-2498	83	30	v(r	v(r	NOUN
eurjchem-2498	83	31	)	)	PUNCT
eurjchem-2498	83	32	acting	act	VERB
eurjchem-2498	83	33	on	on	ADP
eurjchem-2498	83	34	an	an	DET
eurjchem-2498	83	35	electron	electron	NOUN
eurjchem-2498	83	36	due	due	ADP
eurjchem-2498	83	37	to	to	ADP
eurjchem-2498	83	38	all	all	DET
eurjchem-2498	83	39	nuclei	nucleus	NOUN
eurjchem-2498	83	40	in	in	ADP
eurjchem-2498	83	41	the	the	DET
eurjchem-2498	83	42	system	system	NOUN
eurjchem-2498	83	43	,	,	PUNCT
eurjchem-2498	83	44	and	and	CCONJ
eurjchem-2498	83	45	therefore	therefore	ADV
eurjchem-2498	83	46	mulliken	mulliken	ADJ
eurjchem-2498	83	47	population	population	NOUN
eurjchem-2498	83	48	analyzes	analyze	NOUN
eurjchem-2498	83	49	were	be	AUX
eurjchem-2498	83	50	performed	perform	VERB
eurjchem-2498	83	51	on	on	ADP
eurjchem-2498	83	52	the	the	DET
eurjchem-2498	83	53	optimized	optimize	VERB
eurjchem-2498	83	54	geometries	geometry	NOUN
eurjchem-2498	83	55	of	of	ADP
eurjchem-2498	83	56	neutral	neutral	ADJ
eurjchem-2498	83	57	,	,	PUNCT
eurjchem-2498	83	58	cationic	cationic	ADJ
eurjchem-2498	83	59	and	and	CCONJ
eurjchem-2498	83	60	anionic	anionic	ADJ
eurjchem-2498	83	61	states	state	NOUN
eurjchem-2498	83	62	of	of	ADP
eurjchem-2498	83	63	the	the	DET
eurjchem-2498	83	64	investigated	investigate	VERB
eurjchem-2498	83	65	molecules	molecule	NOUN
eurjchem-2498	83	66	.	.	PUNCT
eurjchem-2498	84	1	mulliken	mulliken	NOUN
eurjchem-2498	84	2	charges	charge	NOUN
eurjchem-2498	84	3	of	of	ADP
eurjchem-2498	84	4	each	each	DET
eurjchem-2498	84	5	atom	atom	NOUN
eurjchem-2498	84	6	in	in	ADP
eurjchem-2498	84	7	neutral	neutral	ADJ
eurjchem-2498	84	8	and	and	CCONJ
eurjchem-2498	84	9	charged	charge	VERB
eurjchem-2498	84	10	states	state	NOUN
eurjchem-2498	84	11	were	be	AUX
eurjchem-2498	84	12	substituted	substitute	VERB
eurjchem-2498	84	13	in	in	ADP
eurjchem-2498	84	14	the	the	DET
eurjchem-2498	84	15	equations	equation	NOUN
eurjchem-2498	84	16	proposed	propose	VERB
eurjchem-2498	84	17	by	by	ADP
eurjchem-2498	84	18	yang	yang	PROPN
eurjchem-2498	84	19	and	and	CCONJ
eurjchem-2498	84	20	mortier	mortier	NOUN
eurjchem-2498	85	1	[	[	X
eurjchem-2498	85	2	21	21	NUM
eurjchem-2498	85	3	]	]	PUNCT
eurjchem-2498	85	4	,	,	PUNCT
eurjchem-2498	85	5	based	base	VERB
eurjchem-2498	85	6	on	on	ADP
eurjchem-2498	85	7	a	a	DET
eurjchem-2498	85	8	finite	finite	ADJ
eurjchem-2498	85	9	-	-	PUNCT
eurjchem-2498	85	10	difference	difference	NOUN
eurjchem-2498	85	11	method	method	NOUN
eurjchem-2498	85	12	.	.	PUNCT
eurjchem-2498	86	1	χ	χ	X
eurjchem-2498	86	2	=	=	SYM
eurjchem-2498	86	3	𝐸𝐸𝐻𝐻𝐻𝐻𝐻𝐻𝐻𝐻+𝐸𝐸𝐿𝐿𝐿𝐿𝐻𝐻𝐻𝐻	𝐸𝐸𝐻𝐻𝐻𝐻𝐻𝐻𝐻𝐻+𝐸𝐸𝐿𝐿𝐿𝐿𝐻𝐻𝐻𝐻	NOUN
eurjchem-2498	86	4	2	2	NUM
eurjchem-2498	86	5	(	(	PUNCT
eurjchem-2498	86	6	1	1	NUM
eurjchem-2498	86	7	)	)	PUNCT
eurjchem-2498	86	8	𝑓𝑓𝑘𝑘+	𝑓𝑓𝑘𝑘+	NOUN
eurjchem-2498	87	1	=	=	PUNCT
eurjchem-2498	87	2	𝑞𝑞𝑘𝑘(n	𝑞𝑞𝑘𝑘(n	NUM
eurjchem-2498	87	3	+	+	NOUN
eurjchem-2498	87	4	1	1	NUM
eurjchem-2498	87	5	)	)	PUNCT
eurjchem-2498	87	6	−	−	PROPN
eurjchem-2498	88	1	𝑞𝑞𝑘𝑘	𝑞𝑞𝑘𝑘	NOUN
eurjchem-2498	88	2	(	(	PUNCT
eurjchem-2498	88	3	n	n	CCONJ
eurjchem-2498	88	4	)	)	PUNCT
eurjchem-2498	88	5	for	for	ADP
eurjchem-2498	88	6	nucleophilic	nucleophilic	ADJ
eurjchem-2498	88	7	attack	attack	NOUN
eurjchem-2498	88	8	(	(	PUNCT
eurjchem-2498	88	9	2	2	NUM
eurjchem-2498	88	10	)	)	PUNCT
eurjchem-2498	88	11	𝑓𝑓𝑘𝑘−=𝑞𝑞𝑘𝑘(n	𝑓𝑓𝑘𝑘−=𝑞𝑞𝑘𝑘(n	NOUN
eurjchem-2498	88	12	)	)	PUNCT
eurjchem-2498	88	13	𝑞𝑞𝑘𝑘	𝑞𝑞𝑘𝑘	NOUN
eurjchem-2498	88	14	(	(	PUNCT
eurjchem-2498	88	15	n-1	n-1	PROPN
eurjchem-2498	88	16	)	)	PUNCT
eurjchem-2498	88	17	for	for	ADP
eurjchem-2498	88	18	electrophilic	electrophilic	ADJ
eurjchem-2498	88	19	attack	attack	NOUN
eurjchem-2498	88	20	(	(	PUNCT
eurjchem-2498	88	21	3	3	NUM
eurjchem-2498	88	22	)	)	PUNCT
eurjchem-2498	88	23	𝑓𝑓𝑘𝑘𝑜𝑜=𝑞𝑞𝑘𝑘(n+1	𝑓𝑓𝑘𝑘𝑜𝑜=𝑞𝑞𝑘𝑘(n+1	NOUN
eurjchem-2498	88	24	)	)	PUNCT
eurjchem-2498	88	25	𝑞𝑞𝑘𝑘	𝑞𝑞𝑘𝑘	NOUN
eurjchem-2498	88	26	(	(	PUNCT
eurjchem-2498	88	27	n	n	CCONJ
eurjchem-2498	88	28	)	)	PUNCT
eurjchem-2498	88	29	(	(	PUNCT
eurjchem-2498	88	30	4	4	X
eurjchem-2498	88	31	)	)	PUNCT
eurjchem-2498	88	32	for	for	ADP
eurjchem-2498	88	33	a	a	DET
eurjchem-2498	88	34	radical	radical	ADJ
eurjchem-2498	88	35	attack	attack	NOUN
eurjchem-2498	88	36	to	to	PART
eurjchem-2498	88	37	evaluate	evaluate	VERB
eurjchem-2498	88	38	the	the	DET
eurjchem-2498	88	39	fukui	fukui	PROPN
eurjchem-2498	88	40	indices	index	NOUN
eurjchem-2498	88	41	.	.	PUNCT
eurjchem-2498	89	1	again	again	ADV
eurjchem-2498	89	2	,	,	PUNCT
eurjchem-2498	89	3	fukui	fukui	PROPN
eurjchem-2498	89	4	indices	index	NOUN
eurjchem-2498	89	5	and	and	CCONJ
eurjchem-2498	89	6	global	global	ADJ
eurjchem-2498	89	7	indices	index	NOUN
eurjchem-2498	89	8	were	be	AUX
eurjchem-2498	89	9	substituted	substitute	VERB
eurjchem-2498	89	10	in	in	ADP
eurjchem-2498	89	11	equations	equation	NOUN
eurjchem-2498	89	12	5	5	NUM
eurjchem-2498	89	13	-	-	SYM
eurjchem-2498	89	14	9	9	NUM
eurjchem-2498	89	15	to	to	PART
eurjchem-2498	89	16	determine	determine	VERB
eurjchem-2498	89	17	the	the	DET
eurjchem-2498	89	18	local	local	ADJ
eurjchem-2498	89	19	reactivity	reactivity	NOUN
eurjchem-2498	89	20	indices	index	NOUN
eurjchem-2498	89	21	such	such	ADJ
eurjchem-2498	89	22	as	as	ADP
eurjchem-2498	89	23	local	local	ADJ
eurjchem-2498	89	24	philicity	philicity	NOUN
eurjchem-2498	89	25	,	,	PUNCT
eurjchem-2498	89	26	local	local	ADJ
eurjchem-2498	89	27	softness	softness	NOUN
eurjchem-2498	89	28	,	,	PUNCT
eurjchem-2498	89	29	relative	relative	ADJ
eurjchem-2498	89	30	nucleophilicity	nucleophilicity	NOUN
eurjchem-2498	89	31	(	(	PUNCT
eurjchem-2498	89	32	𝑆𝑆𝑘𝑘−/𝑆𝑆𝑘𝑘+	𝑆𝑆𝑘𝑘−/𝑆𝑆𝑘𝑘+	PROPN
eurjchem-2498	89	33	)	)	PUNCT
eurjchem-2498	89	34	,	,	PUNCT
eurjchem-2498	89	35	relative	relative	ADJ
eurjchem-2498	89	36	electrophilicity	electrophilicity	NOUN
eurjchem-2498	89	37	(	(	PUNCT
eurjchem-2498	89	38	𝑆𝑆𝑘𝑘+/𝑆𝑆𝑘𝑘−	𝑆𝑆𝑘𝑘+/𝑆𝑆𝑘𝑘−	NOUN
eurjchem-2498	89	39	)	)	PUNCT
eurjchem-2498	89	40	,	,	PUNCT
eurjchem-2498	89	41	dual	dual	ADJ
eurjchem-2498	89	42	descriptor	descriptor	NOUN
eurjchem-2498	89	43	(	(	PUNCT
eurjchem-2498	89	44	δf(r	δf(r	NOUN
eurjchem-2498	89	45	)	)	PUNCT
eurjchem-2498	89	46	)	)	PUNCT
eurjchem-2498	89	47	,	,	PUNCT
eurjchem-2498	89	48	dual	dual	ADJ
eurjchem-2498	89	49	local	local	ADJ
eurjchem-2498	89	50	softness	softness	ADJ
eurjchem-2498	89	51	δ𝑆𝑆𝑘𝑘	δ𝑆𝑆𝑘𝑘	PROPN
eurjchem-2498	89	52	,	,	PUNCT
eurjchem-2498	89	53	and	and	CCONJ
eurjchem-2498	89	54	multiphilic	multiphilic	PROPN
eurjchem-2498	89	55	descriptor	descriptor	PROPN
eurjchem-2498	89	56	δωk	δωk	PROPN
eurjchem-2498	89	57	.	.	PUNCT
eurjchem-2498	90	1	ω𝑘𝑘	ω𝑘𝑘	PROPN
eurjchem-2498	90	2	α	α	NOUN
eurjchem-2498	90	3	=	=	PUNCT
eurjchem-2498	90	4	ω𝑓𝑓𝑘𝑘α	ω𝑓𝑓𝑘𝑘α	NOUN
eurjchem-2498	90	5	(	(	PUNCT
eurjchem-2498	90	6	5	5	NUM
eurjchem-2498	90	7	)	)	PUNCT
eurjchem-2498	90	8	𝑆𝑆𝑘𝑘α	𝑆𝑆𝑘𝑘α	PROPN
eurjchem-2498	90	9	=	=	SYM
eurjchem-2498	90	10	s𝑓𝑓𝑘𝑘α	s𝑓𝑓𝑘𝑘α	NOUN
eurjchem-2498	90	11	(	(	PUNCT
eurjchem-2498	90	12	6	6	NUM
eurjchem-2498	90	13	)	)	PUNCT
eurjchem-2498	90	14	δf(r	δf(r	NOUN
eurjchem-2498	90	15	)	)	PUNCT
eurjchem-2498	91	1	=[	=[	NOUN
eurjchem-2498	91	2	(	(	PUNCT
eurjchem-2498	91	3	𝑓𝑓+(r	𝑓𝑓+(r	PROPN
eurjchem-2498	91	4	)	)	PUNCT
eurjchem-2498	91	5	(	(	PUNCT
eurjchem-2498	91	6	𝑓𝑓−	𝑓𝑓−	X
eurjchem-2498	91	7	(	(	PUNCT
eurjchem-2498	91	8	r	r	NOUN
eurjchem-2498	91	9	)	)	PUNCT
eurjchem-2498	91	10	]	]	PUNCT
eurjchem-2498	91	11	(	(	PUNCT
eurjchem-2498	91	12	7	7	X
eurjchem-2498	91	13	)	)	PUNCT
eurjchem-2498	91	14	δ𝑠𝑠𝑘𝑘	δ𝑠𝑠𝑘𝑘	NOUN
eurjchem-2498	91	15	=	=	SYM
eurjchem-2498	91	16	s	s	X
eurjchem-2498	91	17	(	(	PUNCT
eurjchem-2498	91	18	𝑓𝑓𝑘𝑘+	𝑓𝑓𝑘𝑘+	NOUN
eurjchem-2498	91	19	−	−	NOUN
eurjchem-2498	91	20	𝑓𝑓𝑘𝑘−	𝑓𝑓𝑘𝑘−	NOUN
eurjchem-2498	91	21	)	)	PUNCT
eurjchem-2498	91	22	=	=	PUNCT
eurjchem-2498	92	1	𝑠𝑠𝑘𝑘+	𝑠𝑠𝑘𝑘+	SCONJ
eurjchem-2498	92	2	−	−	NOUN
eurjchem-2498	92	3	𝑠𝑠𝑘𝑘−	𝑠𝑠𝑘𝑘−	NOUN
eurjchem-2498	92	4	(	(	PUNCT
eurjchem-2498	92	5	8)	8)	NUM
eurjchem-2498	92	6	δω𝑘𝑘	δω𝑘𝑘	NOUN
eurjchem-2498	92	7	=	=	PUNCT
eurjchem-2498	93	1	[	[	X
eurjchem-2498	93	2	ω𝑘𝑘	ω𝑘𝑘	NOUN
eurjchem-2498	93	3	+	+	X
eurjchem-2498	93	4	−ω𝑘𝑘	−ω𝑘𝑘	NOUN
eurjchem-2498	93	5	−	−	NOUN
eurjchem-2498	93	6	]	]	X
eurjchem-2498	94	1	=	=	SYM
eurjchem-2498	94	2	ω	ω	PROPN
eurjchem-2498	95	1	[	[	X
eurjchem-2498	95	2	δ𝑓𝑓𝑘𝑘	δ𝑓𝑓𝑘𝑘	X
eurjchem-2498	95	3	]	]	X
eurjchem-2498	95	4	(	(	PUNCT
eurjchem-2498	95	5	9	9	NUM
eurjchem-2498	95	6	)	)	PUNCT
eurjchem-2498	95	7	where	where	SCONJ
eurjchem-2498	95	8	(	(	PUNCT
eurjchem-2498	95	9	α	α	NOUN
eurjchem-2498	95	10	=	=	SYM
eurjchem-2498	95	11	+	+	ADJ
eurjchem-2498	95	12	,	,	PUNCT
eurjchem-2498	95	13	-	-	PUNCT
eurjchem-2498	95	14	,	,	PUNCT
eurjchem-2498	95	15	and	and	CCONJ
eurjchem-2498	95	16	0	0	X
eurjchem-2498	95	17	)	)	PUNCT
eurjchem-2498	95	18	represent	represent	VERB
eurjchem-2498	95	19	local	local	ADJ
eurjchem-2498	95	20	philic	philic	ADJ
eurjchem-2498	95	21	quantities	quantity	NOUN
eurjchem-2498	95	22	that	that	PRON
eurjchem-2498	95	23	describe	describe	VERB
eurjchem-2498	95	24	nucleophilic	nucleophilic	ADJ
eurjchem-2498	95	25	,	,	PUNCT
eurjchem-2498	95	26	electrophilic	electrophilic	ADJ
eurjchem-2498	95	27	,	,	PUNCT
eurjchem-2498	95	28	and	and	CCONJ
eurjchem-2498	95	29	radical	radical	ADJ
eurjchem-2498	95	30	attacks	attack	NOUN
eurjchem-2498	95	31	,	,	PUNCT
eurjchem-2498	95	32	respectively	respectively	ADV
eurjchem-2498	95	33	.	.	PUNCT
eurjchem-2498	96	1	the	the	DET
eurjchem-2498	96	2	condensed	condense	VERB
eurjchem-2498	96	3	fukui	fukui	PROPN
eurjchem-2498	96	4	function	function	PROPN
eurjchem-2498	96	5	,	,	PUNCT
eurjchem-2498	96	6	local	local	ADJ
eurjchem-2498	96	7	softness	softness	NOUN
eurjchem-2498	96	8	,	,	PUNCT
eurjchem-2498	96	9	and	and	CCONJ
eurjchem-2498	96	10	multiphilic	multiphilic	ADJ
eurjchem-2498	96	11	descriptor	descriptor	NOUN
eurjchem-2498	96	12	for	for	ADP
eurjchem-2498	96	13	each	each	DET
eurjchem-2498	96	14	reactive	reactive	ADJ
eurjchem-2498	96	15	atom	atom	NOUN
eurjchem-2498	96	16	of	of	ADP
eurjchem-2498	96	17	the	the	DET
eurjchem-2498	96	18	candidate	candidate	NOUN
eurjchem-2498	96	19	molecule	molecule	NOUN
eurjchem-2498	96	20	was	be	AUX
eurjchem-2498	96	21	calculated	calculate	VERB
eurjchem-2498	96	22	using	use	VERB
eurjchem-2498	96	23	mulliken	mulliken	ADJ
eurjchem-2498	96	24	population	population	NOUN
eurjchem-2498	96	25	analysis	analysis	NOUN
eurjchem-2498	96	26	[	[	X
eurjchem-2498	96	27	22	22	NUM
eurjchem-2498	96	28	]	]	PUNCT
eurjchem-2498	96	29	.	.	PUNCT
eurjchem-2498	97	1	nuclear	nuclear	ADJ
eurjchem-2498	97	2	magnetic	magnetic	ADJ
eurjchem-2498	97	3	resonance	resonance	NOUN
eurjchem-2498	97	4	(	(	PUNCT
eurjchem-2498	97	5	nmr)/nucleus	nmr)/nucleus	ADV
eurjchem-2498	97	6	-	-	PUNCT
eurjchem-2498	97	7	independent	independent	ADJ
eurjchem-2498	97	8	chemical	chemical	NOUN
eurjchem-2498	97	9	shift	shift	NOUN
eurjchem-2498	97	10	(	(	PUNCT
eurjchem-2498	97	11	nics	nic	NOUN
eurjchem-2498	97	12	)	)	PUNCT
eurjchem-2498	97	13	calculations	calculation	NOUN
eurjchem-2498	98	1	[	[	X
eurjchem-2498	98	2	23,24	23,24	X
eurjchem-2498	98	3	]	]	PUNCT
eurjchem-2498	98	4	for	for	ADP
eurjchem-2498	98	5	all	all	DET
eurjchem-2498	98	6	test	test	NOUN
eurjchem-2498	98	7	molecules	molecule	NOUN
eurjchem-2498	98	8	were	be	AUX
eurjchem-2498	98	9	performed	perform	VERB
eurjchem-2498	98	10	using	use	VERB
eurjchem-2498	98	11	the	the	DET
eurjchem-2498	98	12	gauge	gauge	NOUN
eurjchem-2498	98	13	-	-	PUNCT
eurjchem-2498	98	14	including	include	VERB
eurjchem-2498	98	15	-	-	PUNCT
eurjchem-2498	98	16	atomic	atomic	NOUN
eurjchem-2498	98	17	-	-	PUNCT
eurjchem-2498	98	18	orbital	orbital	NOUN
eurjchem-2498	98	19	(	(	PUNCT
eurjchem-2498	98	20	giao	giao	NOUN
eurjchem-2498	98	21	)	)	PUNCT
eurjchem-2498	98	22	method	method	NOUN
eurjchem-2498	98	23	with	with	ADP
eurjchem-2498	98	24	the	the	DET
eurjchem-2498	98	25	basis	basis	NOUN
eurjchem-2498	98	26	set	set	NOUN
eurjchem-2498	98	27	b3lyp/6	b3lyp/6	NOUN
eurjchem-2498	98	28	-	-	ADJ
eurjchem-2498	98	29	311+g(2d	311+g(2d	ADJ
eurjchem-2498	98	30	,	,	PUNCT
eurjchem-2498	98	31	p	p	NOUN
eurjchem-2498	98	32	)	)	PUNCT
eurjchem-2498	98	33	.	.	PUNCT
eurjchem-2498	99	1	nics(1)zz	nics(1)zz	PRON
eurjchem-2498	99	2	was	be	AUX
eurjchem-2498	99	3	calculated	calculate	VERB
eurjchem-2498	99	4	using	use	VERB
eurjchem-2498	99	5	the	the	DET
eurjchem-2498	99	6	component	component	NOUN
eurjchem-2498	99	7	of	of	ADP
eurjchem-2498	99	8	the	the	DET
eurjchem-2498	99	9	magnetic	magnetic	ADJ
eurjchem-2498	99	10	shift	shift	NOUN
eurjchem-2498	99	11	tensor	tensor	NOUN
eurjchem-2498	99	12	in	in	ADP
eurjchem-2498	99	13	the	the	DET
eurjchem-2498	99	14	z	z	NOUN
eurjchem-2498	99	15	-	-	PUNCT
eurjchem-2498	99	16	direction	direction	NOUN
eurjchem-2498	99	17	,	,	PUNCT
eurjchem-2498	99	18	perpendicular	perpendicular	ADJ
eurjchem-2498	99	19	to	to	ADP
eurjchem-2498	99	20	the	the	DET
eurjchem-2498	99	21	plane	plane	NOUN
eurjchem-2498	99	22	of	of	ADP
eurjchem-2498	99	23	the	the	DET
eurjchem-2498	99	24	ring	ring	NOUN
eurjchem-2498	99	25	,	,	PUNCT
eurjchem-2498	99	26	for	for	ADP
eurjchem-2498	99	27	a	a	DET
eurjchem-2498	99	28	dummy	dummy	ADJ
eurjchem-2498	99	29	atom	atom	NOUN
eurjchem-2498	99	30	2	2	NUM
eurjchem-2498	99	31	å	å	NOUN
eurjchem-2498	99	32	above	above	ADP
eurjchem-2498	99	33	[	[	X
eurjchem-2498	99	34	25	25	NUM
eurjchem-2498	99	35	]	]	PUNCT
eurjchem-2498	99	36	,	,	PUNCT
eurjchem-2498	99	37	the	the	DET
eurjchem-2498	99	38	plane	plane	NOUN
eurjchem-2498	99	39	of	of	ADP
eurjchem-2498	99	40	the	the	DET
eurjchem-2498	99	41	ring	ring	NOUN
eurjchem-2498	99	42	.	.	PUNCT
eurjchem-2498	100	1	the	the	DET
eurjchem-2498	100	2	nics	nic	NOUN
eurjchem-2498	100	3	[	[	X
eurjchem-2498	100	4	23,24,26	23,24,26	NUM
eurjchem-2498	100	5	]	]	X
eurjchem-2498	100	6	probes	probe	NOUN
eurjchem-2498	100	7	(	(	PUNCT
eurjchem-2498	100	8	bq	bq	INTJ
eurjchem-2498	100	9	)	)	PUNCT
eurjchem-2498	100	10	were	be	AUX
eurjchem-2498	100	11	placed	place	VERB
eurjchem-2498	100	12	up	up	ADP
eurjchem-2498	100	13	and	and	CCONJ
eurjchem-2498	100	14	down	down	ADV
eurjchem-2498	100	15	from	from	ADP
eurjchem-2498	100	16	the	the	DET
eurjchem-2498	100	17	geometric	geometric	ADJ
eurjchem-2498	100	18	center	center	NOUN
eurjchem-2498	100	19	of	of	ADP
eurjchem-2498	100	20	the	the	DET
eurjchem-2498	100	21	ring	ring	NOUN
eurjchem-2498	100	22	,	,	PUNCT
eurjchem-2498	100	23	perpendicular	perpendicular	ADJ
eurjchem-2498	100	24	to	to	ADP
eurjchem-2498	100	25	the	the	DET
eurjchem-2498	100	26	average	average	ADJ
eurjchem-2498	100	27	ring	ring	NOUN
eurjchem-2498	100	28	plane	plane	NOUN
eurjchem-2498	100	29	,	,	PUNCT
eurjchem-2498	100	30	from	from	ADP
eurjchem-2498	100	31	-2	-2	INTJ
eurjchem-2498	100	32	to	to	ADP
eurjchem-2498	100	33	+2	+2	PROPN
eurjchem-2498	100	34	å	å	PROPN
eurjchem-2498	100	35	,	,	PUNCT
eurjchem-2498	100	36	in	in	ADP
eurjchem-2498	100	37	increments	increment	NOUN
eurjchem-2498	100	38	of	of	ADP
eurjchem-2498	100	39	0.2	0.2	NUM
eurjchem-2498	100	40	å	å	NOUN
eurjchem-2498	100	41	.	.	PUNCT
eurjchem-2498	101	1	the	the	DET
eurjchem-2498	101	2	nics	nic	NOUN
eurjchem-2498	101	3	values	value	NOUN
eurjchem-2498	101	4	[	[	X
eurjchem-2498	101	5	23,24	23,24	NOUN
eurjchem-2498	101	6	]	]	PUNCT
eurjchem-2498	101	7	were	be	AUX
eurjchem-2498	101	8	calculated	calculate	VERB
eurjchem-2498	101	9	for	for	ADP
eurjchem-2498	101	10	all	all	DET
eurjchem-2498	101	11	ghost	ghost	NOUN
eurjchem-2498	101	12	atoms	atom	NOUN
eurjchem-2498	101	13	using	use	VERB
eurjchem-2498	101	14	the	the	DET
eurjchem-2498	101	15	gaussian	gaussian	ADJ
eurjchem-2498	101	16	09	09	NUM
eurjchem-2498	101	17	software	software	NOUN
eurjchem-2498	101	18	package	package	NOUN
eurjchem-2498	101	19	[	[	X
eurjchem-2498	101	20	17	17	NUM
eurjchem-2498	101	21	]	]	PUNCT
eurjchem-2498	101	22	.	.	PUNCT
eurjchem-2498	102	1	the	the	DET
eurjchem-2498	102	2	appropriate	appropriate	ADJ
eurjchem-2498	102	3	structural	structural	ADJ
eurjchem-2498	102	4	parameters	parameter	NOUN
eurjchem-2498	102	5	of	of	ADP
eurjchem-2498	102	6	the	the	DET
eurjchem-2498	102	7	optimized	optimize	VERB
eurjchem-2498	102	8	structure	structure	NOUN
eurjchem-2498	102	9	of	of	ADP
eurjchem-2498	102	10	the	the	DET
eurjchem-2498	102	11	given	give	VERB
eurjchem-2498	102	12	molecule	molecule	NOUN
eurjchem-2498	102	13	obtained	obtain	VERB
eurjchem-2498	102	14	using	use	VERB
eurjchem-2498	102	15	the	the	DET
eurjchem-2498	102	16	b3lyp	b3lyp	NUM
eurjchem-2498	102	17	method	method	NOUN
eurjchem-2498	102	18	with	with	ADP
eurjchem-2498	102	19	a	a	DET
eurjchem-2498	102	20	6	6	NUM
eurjchem-2498	102	21	-	-	SYM
eurjchem-2498	102	22	311+g(d	311+g(d	NOUN
eurjchem-2498	102	23	,	,	PUNCT
eurjchem-2498	102	24	p	p	NOUN
eurjchem-2498	102	25	)	)	PUNCT
eurjchem-2498	102	26	basis	basis	NOUN
eurjchem-2498	102	27	set	set	NOUN
eurjchem-2498	102	28	have	have	AUX
eurjchem-2498	102	29	been	be	AUX
eurjchem-2498	102	30	used	use	VERB
eurjchem-2498	102	31	for	for	ADP
eurjchem-2498	102	32	the	the	DET
eurjchem-2498	102	33	calculation	calculation	NOUN
eurjchem-2498	102	34	of	of	ADP
eurjchem-2498	102	35	the	the	DET
eurjchem-2498	102	36	harmonic	harmonic	ADJ
eurjchem-2498	102	37	oscillator	oscillator	NOUN
eurjchem-2498	102	38	model	model	NOUN
eurjchem-2498	102	39	of	of	ADP
eurjchem-2498	102	40	aromaticity	aromaticity	NOUN
eurjchem-2498	102	41	(	(	PUNCT
eurjchem-2498	102	42	homa	homa	NOUN
eurjchem-2498	102	43	)	)	PUNCT
eurjchem-2498	103	1	[	[	X
eurjchem-2498	103	2	24,27	24,27	NUM
eurjchem-2498	103	3	]	]	NUM
eurjchem-2498	103	4	,	,	PUNCT
eurjchem-2498	103	5	values	value	NOUN
eurjchem-2498	103	6	.	.	PUNCT
eurjchem-2498	104	1	the	the	DET
eurjchem-2498	104	2	non	non	ADJ
eurjchem-2498	104	3	-	-	ADJ
eurjchem-2498	104	4	linear	linear	ADJ
eurjchem-2498	104	5	optical	optical	ADJ
eurjchem-2498	104	6	(	(	PUNCT
eurjchem-2498	104	7	nlo	nlo	PROPN
eurjchem-2498	104	8	)	)	PUNCT
eurjchem-2498	104	9	properties	property	NOUN
eurjchem-2498	104	10	were	be	AUX
eurjchem-2498	104	11	evaluated	evaluate	VERB
eurjchem-2498	104	12	at	at	ADP
eurjchem-2498	104	13	the	the	DET
eurjchem-2498	104	14	dft	dft	PROPN
eurjchem-2498	104	15	level	level	NOUN
eurjchem-2498	104	16	based	base	VERB
eurjchem-2498	104	17	.	.	PUNCT
eurjchem-2498	105	1	based	base	VERB
eurjchem-2498	105	2	on	on	ADP
eurjchem-2498	105	3	the	the	DET
eurjchem-2498	105	4	geometries	geometry	NOUN
eurjchem-2498	105	5	of	of	ADP
eurjchem-2498	105	6	the	the	DET
eurjchem-2498	105	7	ground	ground	NOUN
eurjchem-2498	105	8	state	state	NOUN
eurjchem-2498	105	9	,	,	PUNCT
eurjchem-2498	105	10	where	where	SCONJ
eurjchem-2498	105	11	µ	µ	NOUN
eurjchem-2498	105	12	and	and	CCONJ
eurjchem-2498	105	13	αij	αij	NOUN
eurjchem-2498	105	14	have	have	AUX
eurjchem-2498	105	15	been	be	AUX
eurjchem-2498	105	16	calculated	calculate	VERB
eurjchem-2498	105	17	analytically	analytically	ADV
eurjchem-2498	105	18	[	[	X
eurjchem-2498	105	19	28	28	NUM
eurjchem-2498	105	20	]	]	PUNCT
eurjchem-2498	105	21	.	.	PUNCT
eurjchem-2498	106	1	βijk	βijk	PROPN
eurjchem-2498	106	2	has	have	AUX
eurjchem-2498	106	3	been	be	AUX
eurjchem-2498	106	4	computed	compute	VERB
eurjchem-2498	106	5	by	by	ADP
eurjchem-2498	106	6	using	use	VERB
eurjchem-2498	106	7	the	the	DET
eurjchem-2498	106	8	afinite	afinite	ADJ
eurjchem-2498	106	9	field	field	NOUN
eurjchem-2498	106	10	procedure	procedure	NOUN
eurjchem-2498	106	11	based	base	VERB
eurjchem-2498	106	12	on	on	ADP
eurjchem-2498	106	13	the	the	DET
eurjchem-2498	106	14	numerical	numerical	ADJ
eurjchem-2498	106	15	differentiation	differentiation	NOUN
eurjchem-2498	106	16	of	of	ADP
eurjchem-2498	106	17	the	the	DET
eurjchem-2498	106	18	analytic	analytic	ADJ
eurjchem-2498	106	19	polarizabilities	polarizabilitie	NOUN
eurjchem-2498	106	20	evaluated	evaluate	VERB
eurjchem-2498	106	21	under	under	ADP
eurjchem-2498	106	22	several	several	ADJ
eurjchem-2498	106	23	electric	electric	ADJ
eurjchem-2498	106	24	field	field	NOUN
eurjchem-2498	106	25	amplitudes	amplitude	NOUN
eurjchem-2498	106	26	.	.	PUNCT
eurjchem-2498	107	1	the	the	DET
eurjchem-2498	107	2	first	first	ADJ
eurjchem-2498	107	3	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2498	107	4	(	(	PUNCT
eurjchem-2498	107	5	β0	β0	NOUN
eurjchem-2498	107	6	)	)	PUNCT
eurjchem-2498	107	7	and	and	CCONJ
eurjchem-2498	107	8	related	related	ADJ
eurjchem-2498	107	9	properties	property	NOUN
eurjchem-2498	107	10	(	(	PUNCT
eurjchem-2498	107	11	β	β	X
eurjchem-2498	107	12	,	,	PUNCT
eurjchem-2498	107	13	0	0	NUM
eurjchem-2498	107	14	,	,	PUNCT
eurjchem-2498	107	15	and	and	CCONJ
eurjchem-2498	107	16	∆	∆	NUM
eurjchem-2498	107	17	)	)	PUNCT
eurjchem-2498	107	18	for	for	ADP
eurjchem-2498	107	19	the	the	DET
eurjchem-2498	107	20	respective	respective	ADJ
eurjchem-2498	107	21	molecules	molecule	NOUN
eurjchem-2498	107	22	(	(	PUNCT
eurjchem-2498	107	23	from	from	ADP
eurjchem-2498	107	24	the	the	DET
eurjchem-2498	107	25	components	component	NOUN
eurjchem-2498	107	26	of	of	ADP
eurjchem-2498	107	27	β	β	PROPN
eurjchem-2498	107	28	)	)	PUNCT
eurjchem-2498	107	29	were	be	AUX
eurjchem-2498	107	30	calculated	calculate	VERB
eurjchem-2498	107	31	.	.	PUNCT
eurjchem-2498	108	1	3	3	X
eurjchem-2498	108	2	.	.	X
eurjchem-2498	108	3	results	result	NOUN
eurjchem-2498	108	4	and	and	CCONJ
eurjchem-2498	108	5	discussion	discussion	NOUN
eurjchem-2498	108	6	3.1	3.1	NUM
eurjchem-2498	108	7	.	.	PUNCT
eurjchem-2498	108	8	optimized	optimize	VERB
eurjchem-2498	108	9	parameters	parameter	NOUN
eurjchem-2498	108	10	the	the	DET
eurjchem-2498	108	11	optimized	optimize	VERB
eurjchem-2498	108	12	parameters	parameter	NOUN
eurjchem-2498	108	13	of	of	ADP
eurjchem-2498	108	14	compounds	compound	NOUN
eurjchem-2498	108	15	1	1	NUM
eurjchem-2498	108	16	and	and	CCONJ
eurjchem-2498	108	17	2	2	NUM
eurjchem-2498	108	18	are	be	AUX
eurjchem-2498	108	19	presented	present	VERB
eurjchem-2498	108	20	in	in	ADP
eurjchem-2498	108	21	tables	table	NOUN
eurjchem-2498	108	22	1	1	NUM
eurjchem-2498	108	23	and	and	CCONJ
eurjchem-2498	108	24	2	2	NUM
eurjchem-2498	108	25	,	,	PUNCT
eurjchem-2498	108	26	and	and	CCONJ
eurjchem-2498	108	27	figures	figure	NOUN
eurjchem-2498	108	28	1	1	NUM
eurjchem-2498	108	29	and	and	CCONJ
eurjchem-2498	108	30	2	2	NUM
eurjchem-2498	108	31	,	,	PUNCT
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eurjchem-2498	108	33	c	c	NOUN
eurjchem-2498	108	34	-	-	PUNCT
eurjchem-2498	108	35	c	c	NOUN
eurjchem-2498	108	36	bond	bond	NOUN
eurjchem-2498	108	37	lengths	length	NOUN
eurjchem-2498	108	38	of	of	ADP
eurjchem-2498	108	39	the	the	DET
eurjchem-2498	108	40	phenyl	phenyl	NOUN
eurjchem-2498	108	41	ring	ring	NOUN
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eurjchem-2498	108	44	1.3817	1.3817	NUM
eurjchem-2498	108	45	-	-	SYM
eurjchem-2498	108	46	1.4159	1.4159	NUM
eurjchem-2498	108	47	å	å	NOUN
eurjchem-2498	108	48	for	for	ADP
eurjchem-2498	108	49	compound	compound	NOUN
eurjchem-2498	108	50	1	1	NUM
eurjchem-2498	108	51	,	,	PUNCT
eurjchem-2498	108	52	1.3848	1.3848	NUM
eurjchem-2498	108	53	-	-	SYM
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eurjchem-2498	108	55	å	å	NOUN
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eurjchem-2498	108	58	2	2	NUM
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eurjchem-2498	109	1	in	in	ADP
eurjchem-2498	109	2	the	the	DET
eurjchem-2498	109	3	present	present	ADJ
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eurjchem-2498	109	5	,	,	PUNCT
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eurjchem-2498	109	9	-	-	PUNCT
eurjchem-2498	109	10	n	n	PRON
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eurjchem-2498	109	14	1	1	NUM
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eurjchem-2498	109	16	from	from	ADP
eurjchem-2498	109	17	1.3859	1.3859	NUM
eurjchem-2498	109	18	to	to	ADP
eurjchem-2498	109	19	1.4365	1.4365	NUM
eurjchem-2498	109	20	å	å	PROPN
eurjchem-2498	109	21	and	and	CCONJ
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eurjchem-2498	109	24	2	2	NUM
eurjchem-2498	109	25	from	from	ADP
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eurjchem-2498	109	27	-	-	SYM
eurjchem-2498	109	28	1.4139	1.4139	NUM
eurjchem-2498	109	29	å	å	NOUN
eurjchem-2498	109	30	,	,	PUNCT
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eurjchem-2498	109	32	their	their	PRON
eurjchem-2498	109	33	xrd	xrd	NOUN
eurjchem-2498	109	34	values	value	NOUN
eurjchem-2498	109	35	are	be	AUX
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eurjchem-2498	109	37	-	-	SYM
eurjchem-2498	109	38	1.3776	1.3776	NUM
eurjchem-2498	109	39	å	å	PROPN
eurjchem-2498	110	1	[	[	X
eurjchem-2498	110	2	29,30	29,30	NUM
eurjchem-2498	110	3	]	]	PUNCT
eurjchem-2498	110	4	.	.	PUNCT
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eurjchem-2498	111	7	journal	journal	PROPN
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eurjchem-2498	111	11	(	(	PUNCT
eurjchem-2498	111	12	1	1	NUM
eurjchem-2498	111	13	)	)	PUNCT
eurjchem-2498	111	14	(	(	PUNCT
eurjchem-2498	111	15	2024	2024	NUM
eurjchem-2498	111	16	)	)	PUNCT
eurjchem-2498	111	17	50	50	NUM
eurjchem-2498	111	18	-	-	SYM
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eurjchem-2498	111	22	–	–	PUNCT
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eurjchem-2498	111	26	chemistry	chemistry	NOUN
eurjchem-2498	111	27	–	–	PUNCT
eurjchem-2498	111	28	cc	cc	NOUN
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eurjchem-2498	111	30	nc	nc	PROPN
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eurjchem-2498	111	37	-	-	SYM
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eurjchem-2498	111	40	1	1	NUM
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eurjchem-2498	111	64	-	-	PUNCT
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eurjchem-2498	112	5	b3lyp/6	b3lyp/6	PROPN
eurjchem-2498	112	6	-	-	NOUN
eurjchem-2498	112	7	311+g(d	311+g(d	PROPN
eurjchem-2498	112	8	,	,	PUNCT
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eurjchem-2498	112	13	,	,	PUNCT
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eurjchem-2498	112	16	-	-	X
eurjchem-2498	112	17	311+g(d	311+g(d	PROPN
eurjchem-2498	112	18	,	,	PUNCT
eurjchem-2498	112	19	p	p	NOUN
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eurjchem-2498	112	21	dihedral	dihedral	ADJ
eurjchem-2498	112	22	angle	angle	NOUN
eurjchem-2498	112	23	,	,	PUNCT
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eurjchem-2498	112	25	b3lyp/6	b3lyp/6	PROPN
eurjchem-2498	112	26	-	-	X
eurjchem-2498	112	27	311+g(d	311+g(d	PROPN
eurjchem-2498	112	28	,	,	PUNCT
eurjchem-2498	112	29	p	p	NOUN
eurjchem-2498	112	30	)	)	PUNCT
eurjchem-2498	112	31	c1	c1	PROPN
eurjchem-2498	112	32	-	-	PUNCT
eurjchem-2498	112	33	c2	c2	PROPN
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eurjchem-2498	112	35	n15	n15	PROPN
eurjchem-2498	112	36	-	-	PUNCT
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eurjchem-2498	112	38	-	-	PUNCT
eurjchem-2498	112	39	c18	c18	NOUN
eurjchem-2498	112	40	120.1	120.1	NUM
eurjchem-2498	112	41	c1	c1	PROPN
eurjchem-2498	112	42	-	-	PUNCT
eurjchem-2498	112	43	c6	c6	PROPN
eurjchem-2498	112	44	-	-	PUNCT
eurjchem-2498	112	45	n11	n11	NOUN
eurjchem-2498	112	46	-	-	PUNCT
eurjchem-2498	112	47	h13	h13	NOUN
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eurjchem-2498	112	49	c1	c1	PROPN
eurjchem-2498	112	50	-	-	PUNCT
eurjchem-2498	112	51	c6	c6	PROPN
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eurjchem-2498	112	55	c16	c16	NOUN
eurjchem-2498	112	56	-	-	PUNCT
eurjchem-2498	112	57	c18	c18	NOUN
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eurjchem-2498	112	59	c5	c5	PROPN
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eurjchem-2498	112	67	c1	c1	PROPN
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eurjchem-2498	112	77	c5	c5	PROPN
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eurjchem-2498	112	79	c6	c6	PROPN
eurjchem-2498	112	80	-	-	PUNCT
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eurjchem-2498	112	83	h13	h13	NOUN
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eurjchem-2498	112	92	-	-	PUNCT
eurjchem-2498	112	93	h20	h20	PROPN
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eurjchem-2498	112	105	h8	h8	PROPN
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eurjchem-2498	112	110	-	-	PUNCT
eurjchem-2498	112	111	h20	h20	PROPN
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eurjchem-2498	113	18	c21	c21	PROPN
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eurjchem-2498	113	35	-	-	PUNCT
eurjchem-2498	113	36	h22	h22	PROPN
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eurjchem-2498	113	41	-	-	PUNCT
eurjchem-2498	113	42	c17	c17	NOUN
eurjchem-2498	113	43	-	-	PUNCT
eurjchem-2498	113	44	c19	c19	NOUN
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eurjchem-2498	113	46	c4	c4	PROPN
eurjchem-2498	113	47	-	-	PUNCT
eurjchem-2498	113	48	c5	c5	PROPN
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eurjchem-2498	113	51	-	-	PUNCT
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eurjchem-2498	113	53	-	-	PUNCT
eurjchem-2498	113	54	h22	h22	PROPN
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eurjchem-2498	113	57	-	-	PUNCT
eurjchem-2498	113	58	c16	c16	PROPN
eurjchem-2498	113	59	-	-	PUNCT
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eurjchem-2498	113	61	-	-	PUNCT
eurjchem-2498	113	62	h20	h20	PROPN
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eurjchem-2498	113	72	c23	c23	PROPN
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eurjchem-2498	113	75	-	-	PUNCT
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eurjchem-2498	113	77	-	-	PUNCT
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eurjchem-2498	113	84	c6	c6	PROPN
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eurjchem-2498	113	87	-	-	PUNCT
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eurjchem-2498	113	89	-	-	PUNCT
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eurjchem-2498	113	94	c16	c16	PROPN
eurjchem-2498	113	95	-	-	PUNCT
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eurjchem-2498	113	126	c23	c23	PROPN
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eurjchem-2498	113	134	h22	h22	PROPN
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eurjchem-2498	113	179	-	-	PUNCT
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eurjchem-2498	113	198	o25	o25	VERB
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eurjchem-2498	113	216	o25	o25	VERB
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eurjchem-2498	113	241	-	-	PUNCT
eurjchem-2498	113	242	h24	h24	PROPN
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eurjchem-2498	113	245	-	-	PUNCT
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eurjchem-2498	113	251	-	-	PUNCT
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eurjchem-2498	113	257	-	-	PUNCT
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eurjchem-2498	113	295	-	-	PUNCT
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eurjchem-2498	113	300	h22	h22	PROPN
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eurjchem-2498	113	422	o25	o25	NOUN
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eurjchem-2498	113	449	-	-	PUNCT
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eurjchem-2498	113	458	o25	o25	NOUN
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eurjchem-2498	113	487	120.3	120.3	NUM
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eurjchem-2498	113	491	-	-	PUNCT
eurjchem-2498	113	492	c27	c27	NOUN
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eurjchem-2498	113	494	n29	n29	NOUN
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eurjchem-2498	113	496	n30	n30	PROPN
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eurjchem-2498	113	500	c32	c32	NOUN
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eurjchem-2498	113	502	c34	c34	NOUN
eurjchem-2498	113	503	-	-	PUNCT
eurjchem-2498	113	504	h38	h38	NOUN
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eurjchem-2498	113	510	c27	c27	NOUN
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eurjchem-2498	113	512	h28	h28	NOUN
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eurjchem-2498	113	514	c32	c32	NOUN
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eurjchem-2498	113	520	c34	c34	NOUN
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eurjchem-2498	113	522	h38	h38	NOUN
eurjchem-2498	113	523	120.2	120.2	NUM
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eurjchem-2498	113	527	-	-	PUNCT
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eurjchem-2498	113	529	-	-	PUNCT
eurjchem-2498	113	530	n29	n29	NOUN
eurjchem-2498	113	531	1.3	1.3	NUM
eurjchem-2498	113	532	c32	c32	NOUN
eurjchem-2498	113	533	-	-	PUNCT
eurjchem-2498	113	534	c34	c34	NOUN
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eurjchem-2498	113	540	c39	c39	NOUN
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eurjchem-2498	113	547	-	-	ADJ
eurjchem-2498	113	548	h26	h26	ADJ
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eurjchem-2498	113	550	c33	c33	NOUN
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eurjchem-2498	113	552	c35	c35	NOUN
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eurjchem-2498	113	558	h40	h40	PROPN
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eurjchem-2498	113	564	o25	o25	NOUN
eurjchem-2498	113	565	-	-	PUNCT
eurjchem-2498	113	566	h26	h26	ADJ
eurjchem-2498	113	567	0.1	0.1	NUM
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eurjchem-2498	113	570	h36	h36	VERB
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eurjchem-2498	113	576	h40	h40	PROPN
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eurjchem-2498	113	582	n29	n29	NOUN
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eurjchem-2498	113	584	n30	n30	NOUN
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eurjchem-2498	113	594	c39	c39	NOUN
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eurjchem-2498	113	600	n29	n29	NOUN
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eurjchem-2498	113	602	n30	n30	NOUN
eurjchem-2498	113	603	2.5	2.5	NUM
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eurjchem-2498	114	29	c27	c27	NOUN
eurjchem-2498	114	30	-	-	PUNCT
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eurjchem-2498	114	33	n30	n30	NOUN
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eurjchem-2498	114	50	-	-	PUNCT
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eurjchem-2498	114	211	c5	c5	PROPN
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eurjchem-2498	115	95	h42	h42	NOUN
eurjchem-2498	115	96	-0.1	-0.1	PROPN
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eurjchem-2498	115	99	n	n	CCONJ
eurjchem-2498	115	100	-	-	PUNCT
eurjchem-2498	115	101	h	h	NOUN
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eurjchem-2498	115	103	distance	distance	NOUN
eurjchem-2498	115	104	ranges	range	VERB
eurjchem-2498	115	105	from	from	ADP
eurjchem-2498	115	106	1.0082	1.0082	NUM
eurjchem-2498	115	107	to	to	ADP
eurjchem-2498	115	108	1.0094	1.0094	NUM
eurjchem-2498	115	109	å	å	PROPN
eurjchem-2498	115	110	in	in	ADP
eurjchem-2498	115	111	compound	compound	NOUN
eurjchem-2498	115	112	1	1	NUM
eurjchem-2498	115	113	,	,	PUNCT
eurjchem-2498	115	114	1.0125	1.0125	NUM
eurjchem-2498	115	115	-	-	SYM
eurjchem-2498	115	116	1.0144	1.0144	NUM
eurjchem-2498	115	117	å	å	NOUN
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eurjchem-2498	115	119	compound	compound	NOUN
eurjchem-2498	115	120	2	2	NUM
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eurjchem-2498	115	122	comparable	comparable	ADJ
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eurjchem-2498	115	124	the	the	DET
eurjchem-2498	115	125	literature	literature	NOUN
eurjchem-2498	115	126	value	value	NOUN
eurjchem-2498	115	127	of	of	ADP
eurjchem-2498	115	128	0.85	0.85	NUM
eurjchem-2498	115	129	å	å	X
eurjchem-2498	116	1	[	[	X
eurjchem-2498	116	2	31	31	NUM
eurjchem-2498	116	3	]	]	PUNCT
eurjchem-2498	116	4	.	.	PUNCT
eurjchem-2498	117	1	the	the	DET
eurjchem-2498	117	2	optimized	optimize	VERB
eurjchem-2498	117	3	c	c	NOUN
eurjchem-2498	117	4	-	-	PUNCT
eurjchem-2498	117	5	h	h	NOUN
eurjchem-2498	117	6	bond	bond	NOUN
eurjchem-2498	117	7	lengths	length	NOUN
eurjchem-2498	117	8	vary	vary	VERB
eurjchem-2498	117	9	from	from	ADP
eurjchem-2498	117	10	1.0809	1.0809	NUM
eurjchem-2498	117	11	-	-	SYM
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eurjchem-2498	117	13	å	å	NOUN
eurjchem-2498	117	14	for	for	ADP
eurjchem-2498	117	15	compounds	compound	NOUN
eurjchem-2498	117	16	1	1	NUM
eurjchem-2498	117	17	and	and	CCONJ
eurjchem-2498	117	18	2	2	NUM
eurjchem-2498	117	19	.	.	X
eurjchem-2498	118	1	the	the	DET
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eurjchem-2498	118	3	bond	bond	NOUN
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eurjchem-2498	118	5	of	of	ADP
eurjchem-2498	118	6	c	c	NOUN
eurjchem-2498	118	7	-	-	PUNCT
eurjchem-2498	118	8	c	c	NOUN
eurjchem-2498	118	9	-	-	PUNCT
eurjchem-2498	118	10	c	c	NOUN
eurjchem-2498	118	11	,	,	PUNCT
eurjchem-2498	118	12	c	c	NOUN
eurjchem-2498	118	13	-	-	PUNCT
eurjchem-2498	118	14	c	c	NOUN
eurjchem-2498	118	15	-	-	PUNCT
eurjchem-2498	118	16	h	h	NOUN
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eurjchem-2498	118	18	c	c	NOUN
eurjchem-2498	118	19	-	-	PUNCT
eurjchem-2498	118	20	n	n	CCONJ
eurjchem-2498	118	21	-	-	PUNCT
eurjchem-2498	118	22	n	n	NOUN
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eurjchem-2498	118	24	cn	cn	PROPN
eurjchem-2498	118	25	-	-	PROPN
eurjchem-2498	118	26	h	h	NOUN
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eurjchem-2498	118	29	-	-	PUNCT
eurjchem-2498	118	30	n	n	CCONJ
eurjchem-2498	118	31	-	-	PUNCT
eurjchem-2498	118	32	n	n	CCONJ
eurjchem-2498	118	33	,	,	PUNCT
eurjchem-2498	118	34	n	n	CCONJ
eurjchem-2498	118	35	-	-	PUNCT
eurjchem-2498	118	36	n	n	CCONJ
eurjchem-2498	118	37	-	-	PUNCT
eurjchem-2498	118	38	c	c	NOUN
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eurjchem-2498	118	40	n	n	CCONJ
eurjchem-2498	118	41	-	-	PUNCT
eurjchem-2498	118	42	n	n	CCONJ
eurjchem-2498	118	43	-	-	PUNCT
eurjchem-2498	118	44	h	h	NOUN
eurjchem-2498	118	45	range	range	NOUN
eurjchem-2498	118	46	from	from	ADP
eurjchem-2498	118	47	115.9	115.9	NUM
eurjchem-2498	118	48	-	-	SYM
eurjchem-2498	118	49	120.4	120.4	NUM
eurjchem-2498	118	50	°	°	NOUN
eurjchem-2498	119	1	[	[	X
eurjchem-2498	119	2	32	32	NUM
eurjchem-2498	119	3	]	]	PUNCT
eurjchem-2498	119	4	.	.	PUNCT
eurjchem-2498	120	1	the	the	DET
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eurjchem-2498	120	3	dihedral	dihedral	ADJ
eurjchem-2498	120	4	angles	angle	NOUN
eurjchem-2498	120	5	of	of	ADP
eurjchem-2498	120	6	the	the	DET
eurjchem-2498	120	7	title	title	NOUN
eurjchem-2498	120	8	molecules	molecule	NOUN
eurjchem-2498	120	9	are	be	AUX
eurjchem-2498	120	10	given	give	VERB
eurjchem-2498	120	11	in	in	ADP
eurjchem-2498	120	12	tables	table	NOUN
eurjchem-2498	120	13	1	1	NUM
eurjchem-2498	120	14	and	and	CCONJ
eurjchem-2498	120	15	2	2	NUM
eurjchem-2498	120	16	.	.	X
eurjchem-2498	121	1	compound	compound	NOUN
eurjchem-2498	121	2	1	1	NUM
eurjchem-2498	121	3	is	be	AUX
eurjchem-2498	121	4	not	not	PART
eurjchem-2498	121	5	synthesized	synthesize	VERB
eurjchem-2498	121	6	and	and	CCONJ
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eurjchem-2498	121	9	only	only	ADV
eurjchem-2498	121	10	for	for	ADP
eurjchem-2498	121	11	theoretical	theoretical	ADJ
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eurjchem-2498	121	13	.	.	PUNCT
eurjchem-2498	122	1	3.2	3.2	NUM
eurjchem-2498	122	2	.	.	PUNCT
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eurjchem-2498	123	2	assignments	assignment	NOUN
eurjchem-2498	123	3	vibrational	vibrational	NOUN
eurjchem-2498	123	4	spectroscopy	spectroscopy	NOUN
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eurjchem-2498	123	6	widely	widely	ADV
eurjchem-2498	123	7	employed	employ	VERB
eurjchem-2498	123	8	in	in	ADP
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eurjchem-2498	123	10	chemistry	chemistry	NOUN
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eurjchem-2498	123	12	the	the	DET
eurjchem-2498	123	13	identification	identification	NOUN
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eurjchem-2498	123	22	,	,	PUNCT
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eurjchem-2498	123	24	,	,	PUNCT
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eurjchem-2498	124	3	vibrational	vibrational	ADJ
eurjchem-2498	124	4	wave	wave	NOUN
eurjchem-2498	124	5	numbers	number	NOUN
eurjchem-2498	124	6	for	for	ADP
eurjchem-2498	124	7	the	the	DET
eurjchem-2498	124	8	optimized	optimize	VERB
eurjchem-2498	124	9	geometry	geometry	NOUN
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eurjchem-2498	124	11	compounds	compound	NOUN
eurjchem-2498	124	12	1	1	NUM
eurjchem-2498	124	13	and	and	CCONJ
eurjchem-2498	124	14	2	2	NUM
eurjchem-2498	124	15	and	and	CCONJ
eurjchem-2498	124	16	the	the	DET
eurjchem-2498	124	17	proposed	propose	VERB
eurjchem-2498	124	18	assignments	assignment	NOUN
eurjchem-2498	124	19	are	be	AUX
eurjchem-2498	124	20	given	give	VERB
eurjchem-2498	124	21	in	in	ADP
eurjchem-2498	124	22	tables	table	NOUN
eurjchem-2498	124	23	3	3	NUM
eurjchem-2498	124	24	and	and	CCONJ
eurjchem-2498	124	25	4	4	NUM
eurjchem-2498	124	26	.	.	X
eurjchem-2498	124	27	54	54	NUM
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eurjchem-2498	124	32	/	/	SYM
eurjchem-2498	124	33	european	european	PROPN
eurjchem-2498	124	34	journal	journal	PROPN
eurjchem-2498	124	35	of	of	ADP
eurjchem-2498	124	36	chemistry	chemistry	NOUN
eurjchem-2498	124	37	15	15	NUM
eurjchem-2498	124	38	(	(	PUNCT
eurjchem-2498	124	39	1	1	NUM
eurjchem-2498	124	40	)	)	PUNCT
eurjchem-2498	124	41	(	(	PUNCT
eurjchem-2498	124	42	2024	2024	NUM
eurjchem-2498	124	43	)	)	PUNCT
eurjchem-2498	124	44	50	50	NUM
eurjchem-2498	124	45	-	-	SYM
eurjchem-2498	124	46	70	70	NUM
eurjchem-2498	124	47	2024	2024	NUM
eurjchem-2498	124	48	–	–	PUNCT
eurjchem-2498	124	49	european	european	ADJ
eurjchem-2498	124	50	journal	journal	NOUN
eurjchem-2498	124	51	of	of	ADP
eurjchem-2498	124	52	chemistry	chemistry	NOUN
eurjchem-2498	124	53	–	–	PUNCT
eurjchem-2498	124	54	cc	cc	NOUN
eurjchem-2498	124	55	by	by	ADP
eurjchem-2498	124	56	nc	nc	PROPN
eurjchem-2498	124	57	–	–	PUNCT
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eurjchem-2498	124	59	:	:	PUNCT
eurjchem-2498	124	60	10.5155	10.5155	NUM
eurjchem-2498	124	61	/	/	SYM
eurjchem-2498	124	62	eurjchem.15.1.50	eurjchem.15.1.50	ADJ
eurjchem-2498	124	63	-	-	SYM
eurjchem-2498	124	64	70.2498	70.2498	NUM
eurjchem-2498	124	65	table	table	NOUN
eurjchem-2498	124	66	2	2	NUM
eurjchem-2498	124	67	.	.	PUNCT
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eurjchem-2498	124	69	bond	bond	NOUN
eurjchem-2498	124	70	lengths	length	NOUN
eurjchem-2498	124	71	(	(	PUNCT
eurjchem-2498	124	72	å	å	NOUN
eurjchem-2498	124	73	)	)	PUNCT
eurjchem-2498	124	74	,	,	PUNCT
eurjchem-2498	124	75	bond	bond	NOUN
eurjchem-2498	124	76	angles	angle	NOUN
eurjchem-2498	124	77	,	,	PUNCT
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eurjchem-2498	124	81	(	(	PUNCT
eurjchem-2498	124	82	°	°	NOUN
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eurjchem-2498	124	85	compound	compound	NOUN
eurjchem-2498	124	86	2	2	NUM
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eurjchem-2498	124	89	dft	dft	PROPN
eurjchem-2498	124	90	-	-	PUNCT
eurjchem-2498	124	91	b3lyp/6	b3lyp/6	NOUN
eurjchem-2498	124	92	-	-	NOUN
eurjchem-2498	124	93	311+g(d	311+g(d	PROPN
eurjchem-2498	124	94	,	,	PUNCT
eurjchem-2498	124	95	p	p	NOUN
eurjchem-2498	124	96	)	)	PUNCT
eurjchem-2498	124	97	basis	basis	NOUN
eurjchem-2498	124	98	set	set	NOUN
eurjchem-2498	124	99	.	.	PUNCT
eurjchem-2498	125	1	bond	bond	NOUN
eurjchem-2498	125	2	length	length	NOUN
eurjchem-2498	125	3	,	,	PUNCT
eurjchem-2498	125	4	å	å	PROPN
eurjchem-2498	125	5	b3lyp/6	b3lyp/6	PROPN
eurjchem-2498	125	6	-	-	NOUN
eurjchem-2498	125	7	311+g(d	311+g(d	PROPN
eurjchem-2498	125	8	,	,	PUNCT
eurjchem-2498	125	9	p	p	NOUN
eurjchem-2498	125	10	)	)	PUNCT
eurjchem-2498	125	11	bond	bond	NOUN
eurjchem-2498	125	12	angle	angle	NOUN
eurjchem-2498	125	13	,	,	PUNCT
eurjchem-2498	125	14	°	°	NUM
eurjchem-2498	125	15	b3lyp/6	b3lyp/6	PROPN
eurjchem-2498	125	16	-	-	X
eurjchem-2498	125	17	311+g(d	311+g(d	PROPN
eurjchem-2498	125	18	,	,	PUNCT
eurjchem-2498	125	19	p	p	NOUN
eurjchem-2498	125	20	)	)	PUNCT
eurjchem-2498	125	21	dihedral	dihedral	ADJ
eurjchem-2498	125	22	angle	angle	NOUN
eurjchem-2498	125	23	,	,	PUNCT
eurjchem-2498	125	24	°	°	NUM
eurjchem-2498	125	25	b3lyp/6	b3lyp/6	PROPN
eurjchem-2498	125	26	-	-	X
eurjchem-2498	125	27	311+g(d	311+g(d	PROPN
eurjchem-2498	125	28	,	,	PUNCT
eurjchem-2498	125	29	p	p	NOUN
eurjchem-2498	125	30	)	)	PUNCT
eurjchem-2498	125	31	c1	c1	PROPN
eurjchem-2498	125	32	-	-	PUNCT
eurjchem-2498	125	33	c2	c2	PROPN
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eurjchem-2498	125	35	h16	h16	PROPN
eurjchem-2498	125	36	-	-	PUNCT
eurjchem-2498	125	37	c15	c15	NOUN
eurjchem-2498	125	38	-	-	PUNCT
eurjchem-2498	125	39	h17	h17	PROPN
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eurjchem-2498	125	41	c1	c1	PROPN
eurjchem-2498	125	42	-	-	PUNCT
eurjchem-2498	125	43	c6	c6	PROPN
eurjchem-2498	125	44	-	-	PUNCT
eurjchem-2498	125	45	n11	n11	PROPN
eurjchem-2498	125	46	-	-	PUNCT
eurjchem-2498	125	47	c13	c13	PROPN
eurjchem-2498	125	48	140.4	140.4	NUM
eurjchem-2498	125	49	c1	c1	PROPN
eurjchem-2498	125	50	-	-	PUNCT
eurjchem-2498	125	51	c6	c6	PROPN
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eurjchem-2498	125	54	-	-	PUNCT
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eurjchem-2498	125	56	-	-	PUNCT
eurjchem-2498	125	57	h18	h18	NOUN
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eurjchem-2498	125	74	-	-	PUNCT
eurjchem-2498	125	75	h18	h18	NOUN
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eurjchem-2498	125	77	c5	c5	PROPN
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eurjchem-2498	125	79	c6	c6	PROPN
eurjchem-2498	125	80	-	-	PUNCT
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eurjchem-2498	125	83	c13	c13	NOUN
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eurjchem-2498	125	85	c2	c2	PROPN
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eurjchem-2498	125	87	c3	c3	PROPN
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eurjchem-2498	125	89	c3	c3	PROPN
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eurjchem-2498	125	93	n20	n20	NOUN
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eurjchem-2498	125	95	c6	c6	PROPN
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eurjchem-2498	125	97	n11	n11	PROPN
eurjchem-2498	125	98	-	-	PUNCT
eurjchem-2498	125	99	c13	c13	NOUN
eurjchem-2498	125	100	-	-	PUNCT
eurjchem-2498	125	101	o14	o14	NOUN
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eurjchem-2498	125	103	c2	c2	PROPN
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eurjchem-2498	125	105	h8	h8	PROPN
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eurjchem-2498	125	109	n20	n20	NOUN
eurjchem-2498	125	110	-	-	PUNCT
eurjchem-2498	125	111	c21	c21	NOUN
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eurjchem-2498	125	113	c6	c6	PROPN
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eurjchem-2498	125	115	n11	n11	PROPN
eurjchem-2498	125	116	-	-	PUNCT
eurjchem-2498	125	117	c13	c13	NOUN
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eurjchem-2498	125	119	c15	c15	PROPN
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eurjchem-2498	125	128	-	-	PUNCT
eurjchem-2498	125	129	c22	c22	NOUN
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eurjchem-2498	126	612	n11	n11	PROPN
eurjchem-2498	126	613	118.5	118.5	NUM
eurjchem-2498	126	614	c2	c2	PROPN
eurjchem-2498	126	615	-	-	PUNCT
eurjchem-2498	126	616	c3	c3	PROPN
eurjchem-2498	126	617	-	-	PUNCT
eurjchem-2498	126	618	n19	n19	NOUN
eurjchem-2498	126	619	-	-	PUNCT
eurjchem-2498	126	620	n20	n20	NOUN
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eurjchem-2498	126	622	h41	h41	NOUN
eurjchem-2498	126	623	-	-	PUNCT
eurjchem-2498	126	624	c38	c38	NOUN
eurjchem-2498	126	625	-	-	PUNCT
eurjchem-2498	126	626	c40	c40	NOUN
eurjchem-2498	126	627	-	-	PUNCT
eurjchem-2498	126	628	h45	h45	NOUN
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eurjchem-2498	126	630	c5	c5	PROPN
eurjchem-2498	126	631	-	-	PUNCT
eurjchem-2498	126	632	c6	c6	PROPN
eurjchem-2498	126	633	-	-	PUNCT
eurjchem-2498	126	634	n11	n11	PROPN
eurjchem-2498	126	635	122.5	122.5	NUM
eurjchem-2498	126	636	c4	c4	NOUN
eurjchem-2498	126	637	-	-	PUNCT
eurjchem-2498	126	638	c3	c3	NOUN
eurjchem-2498	126	639	-	-	PUNCT
eurjchem-2498	126	640	n19	n19	NOUN
eurjchem-2498	126	641	-	-	PUNCT
eurjchem-2498	126	642	n20	n20	NOUN
eurjchem-2498	126	643	1.6	1.6	NUM
eurjchem-2498	126	644	c37	c37	NOUN
eurjchem-2498	126	645	-	-	PUNCT
eurjchem-2498	126	646	c39	c39	NOUN
eurjchem-2498	126	647	-	-	PUNCT
eurjchem-2498	126	648	c42	c42	NOUN
eurjchem-2498	126	649	-	-	PUNCT
eurjchem-2498	126	650	c44	c44	NOUN
eurjchem-2498	126	651	0.0	0.0	NUM
eurjchem-2498	126	652	c6	c6	PROPN
eurjchem-2498	126	653	-	-	PUNCT
eurjchem-2498	126	654	n11	n11	PROPN
eurjchem-2498	126	655	-	-	PUNCT
eurjchem-2498	126	656	h12	h12	NOUN
eurjchem-2498	126	657	116.3	116.3	NUM
eurjchem-2498	126	658	c3	c3	PROPN
eurjchem-2498	126	659	-	-	PUNCT
eurjchem-2498	126	660	c4	c4	NOUN
eurjchem-2498	126	661	-	-	PUNCT
eurjchem-2498	126	662	c5	c5	PROPN
eurjchem-2498	126	663	-	-	PUNCT
eurjchem-2498	126	664	c6	c6	PROPN
eurjchem-2498	126	665	1.3	1.3	NUM
eurjchem-2498	126	666	c37	c37	NOUN
eurjchem-2498	126	667	-	-	PUNCT
eurjchem-2498	126	668	c39	c39	NOUN
eurjchem-2498	126	669	-	-	PUNCT
eurjchem-2498	126	670	c42	c42	NOUN
eurjchem-2498	126	671	-	-	PUNCT
eurjchem-2498	126	672	h46	h46	PROPN
eurjchem-2498	126	673	180.0	180.0	NUM
eurjchem-2498	126	674	c6	c6	PROPN
eurjchem-2498	126	675	-	-	PUNCT
eurjchem-2498	126	676	n11	n11	PROPN
eurjchem-2498	126	677	-	-	PUNCT
eurjchem-2498	126	678	c13	c13	NOUN
eurjchem-2498	126	679	131.8	131.8	NUM
eurjchem-2498	126	680	c3	c3	PROPN
eurjchem-2498	126	681	-	-	PUNCT
eurjchem-2498	126	682	c4	c4	NOUN
eurjchem-2498	126	683	-	-	PUNCT
eurjchem-2498	126	684	c5	c5	PROPN
eurjchem-2498	126	685	-	-	PUNCT
eurjchem-2498	126	686	h10	h10	PROPN
eurjchem-2498	126	687	-176.9	-176.9	PROPN
eurjchem-2498	126	688	h43	h43	ADJ
eurjchem-2498	126	689	-	-	PUNCT
eurjchem-2498	126	690	c39	c39	NOUN
eurjchem-2498	126	691	-	-	PUNCT
eurjchem-2498	126	692	c42	c42	NOUN
eurjchem-2498	126	693	-	-	PUNCT
eurjchem-2498	126	694	c44	c44	NOUN
eurjchem-2498	126	695	179.9	179.9	NUM
eurjchem-2498	126	696	h12	h12	NOUN
eurjchem-2498	126	697	-	-	PUNCT
eurjchem-2498	126	698	n11	n11	NOUN
eurjchem-2498	126	699	-	-	PUNCT
eurjchem-2498	126	700	c13	c13	PROPN
eurjchem-2498	126	701	111.5	111.5	NUM
eurjchem-2498	126	702	h9	h9	NOUN
eurjchem-2498	126	703	-	-	PUNCT
eurjchem-2498	126	704	c4	c4	NOUN
eurjchem-2498	126	705	-	-	PUNCT
eurjchem-2498	126	706	c5	c5	PROPN
eurjchem-2498	126	707	-	-	PUNCT
eurjchem-2498	126	708	c6	c6	PROPN
eurjchem-2498	126	709	179.8	179.8	NUM
eurjchem-2498	126	710	h43	h43	ADJ
eurjchem-2498	126	711	-	-	PUNCT
eurjchem-2498	126	712	c39	c39	NOUN
eurjchem-2498	126	713	-	-	PUNCT
eurjchem-2498	126	714	c42	c42	NOUN
eurjchem-2498	126	715	-	-	PUNCT
eurjchem-2498	126	716	h46	h46	PROPN
eurjchem-2498	126	717	-0.1	-0.1	PROPN
eurjchem-2498	126	718	n11	n11	PROPN
eurjchem-2498	126	719	-	-	PUNCT
eurjchem-2498	126	720	c13	c13	NOUN
eurjchem-2498	126	721	-	-	PUNCT
eurjchem-2498	126	722	o14	o14	NOUN
eurjchem-2498	126	723	119.1	119.1	NUM
eurjchem-2498	126	724	h9	h9	NOUN
eurjchem-2498	126	725	-	-	PUNCT
eurjchem-2498	126	726	c4	c4	NOUN
eurjchem-2498	126	727	-	-	PUNCT
eurjchem-2498	126	728	c5	c5	PROPN
eurjchem-2498	126	729	-	-	PUNCT
eurjchem-2498	126	730	h10	h10	PROPN
eurjchem-2498	126	731	1.6	1.6	NUM
eurjchem-2498	126	732	c38	c38	NOUN
eurjchem-2498	126	733	-	-	PUNCT
eurjchem-2498	126	734	c40	c40	NOUN
eurjchem-2498	126	735	-	-	PUNCT
eurjchem-2498	126	736	c44	c44	NOUN
eurjchem-2498	126	737	-	-	PUNCT
eurjchem-2498	126	738	c42	c42	NOUN
eurjchem-2498	126	739	0.0	0.0	NUM
eurjchem-2498	126	740	n11	n11	PROPN
eurjchem-2498	126	741	-	-	PUNCT
eurjchem-2498	126	742	c13	c13	NOUN
eurjchem-2498	126	743	-	-	PUNCT
eurjchem-2498	126	744	c15	c15	PROPN
eurjchem-2498	126	745	119.0	119.0	NUM
eurjchem-2498	126	746	c4	c4	PROPN
eurjchem-2498	126	747	-	-	PUNCT
eurjchem-2498	126	748	c5	c5	PROPN
eurjchem-2498	126	749	-	-	PUNCT
eurjchem-2498	126	750	c6	c6	PROPN
eurjchem-2498	126	751	-	-	PUNCT
eurjchem-2498	126	752	c1	c1	PROPN
eurjchem-2498	126	753	-1.8	-1.8	PROPN
eurjchem-2498	126	754	c38	c38	PROPN
eurjchem-2498	126	755	-	-	PUNCT
eurjchem-2498	126	756	c40	c40	NOUN
eurjchem-2498	126	757	-	-	PUNCT
eurjchem-2498	126	758	c44	c44	NOUN
eurjchem-2498	126	759	-	-	PUNCT
eurjchem-2498	126	760	h47	h47	NOUN
eurjchem-2498	126	761	-180.0	-180.0	PROPN
eurjchem-2498	126	762	o14	o14	NOUN
eurjchem-2498	126	763	-	-	PUNCT
eurjchem-2498	126	764	c13	c13	NOUN
eurjchem-2498	126	765	-	-	PUNCT
eurjchem-2498	126	766	c15	c15	PROPN
eurjchem-2498	126	767	121.8	121.8	NUM
eurjchem-2498	126	768	c4	c4	PROPN
eurjchem-2498	126	769	-	-	PUNCT
eurjchem-2498	126	770	c5	c5	PROPN
eurjchem-2498	126	771	-	-	PUNCT
eurjchem-2498	126	772	c6	c6	PROPN
eurjchem-2498	126	773	-	-	PUNCT
eurjchem-2498	126	774	n11	n11	PROPN
eurjchem-2498	126	775	-178.8	-178.8	PROPN
eurjchem-2498	126	776	h45	h45	PROPN
eurjchem-2498	126	777	-	-	PUNCT
eurjchem-2498	126	778	c40	c40	NOUN
eurjchem-2498	126	779	-	-	PUNCT
eurjchem-2498	126	780	c44	c44	NOUN
eurjchem-2498	126	781	-	-	PUNCT
eurjchem-2498	126	782	c42	c42	NOUN
eurjchem-2498	126	783	179.9	179.9	NUM
eurjchem-2498	126	784	c13	c13	PROPN
eurjchem-2498	126	785	-	-	PUNCT
eurjchem-2498	126	786	c15	c15	PROPN
eurjchem-2498	126	787	-	-	PUNCT
eurjchem-2498	126	788	h16	h16	PROPN
eurjchem-2498	126	789	113.2	113.2	NUM
eurjchem-2498	126	790	h10	h10	NOUN
eurjchem-2498	126	791	-	-	PUNCT
eurjchem-2498	126	792	c5	c5	PROPN
eurjchem-2498	126	793	-	-	PUNCT
eurjchem-2498	126	794	c6	c6	PROPN
eurjchem-2498	126	795	-	-	PUNCT
eurjchem-2498	126	796	c1	c1	PROPN
eurjchem-2498	126	797	176.4	176.4	NUM
eurjchem-2498	126	798	h45	h45	PROPN
eurjchem-2498	126	799	-	-	PUNCT
eurjchem-2498	126	800	c40	c40	NOUN
eurjchem-2498	126	801	-	-	PUNCT
eurjchem-2498	126	802	c44	c44	NOUN
eurjchem-2498	126	803	-	-	PUNCT
eurjchem-2498	126	804	h47	h47	VERB
eurjchem-2498	126	805	-0.1	-0.1	PROPN
eurjchem-2498	126	806	c13	c13	PROPN
eurjchem-2498	126	807	-	-	PUNCT
eurjchem-2498	126	808	c15	c15	PROPN
eurjchem-2498	126	809	-	-	PUNCT
eurjchem-2498	126	810	h17	h17	PROPN
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eurjchem-2498	126	812	h10	h10	PROPN
eurjchem-2498	126	813	-	-	PUNCT
eurjchem-2498	126	814	c5	c5	PROPN
eurjchem-2498	126	815	-	-	PUNCT
eurjchem-2498	126	816	c6	c6	PROPN
eurjchem-2498	126	817	-	-	PUNCT
eurjchem-2498	126	818	n11	n11	PROPN
eurjchem-2498	126	819	-0.5	-0.5	PROPN
eurjchem-2498	126	820	c39	c39	NOUN
eurjchem-2498	126	821	-	-	PUNCT
eurjchem-2498	126	822	c42	c42	VERB
eurjchem-2498	126	823	-	-	PUNCT
eurjchem-2498	126	824	c44	c44	NOUN
eurjchem-2498	126	825	-	-	PUNCT
eurjchem-2498	126	826	c40	c40	NOUN
eurjchem-2498	126	827	0.0	0.0	NUM
eurjchem-2498	126	828	c13	c13	NOUN
eurjchem-2498	126	829	-	-	PUNCT
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eurjchem-2498	126	831	-	-	PUNCT
eurjchem-2498	126	832	h18	h18	NOUN
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eurjchem-2498	126	834	c1	c1	PROPN
eurjchem-2498	126	835	-	-	PUNCT
eurjchem-2498	126	836	c6	c6	PROPN
eurjchem-2498	126	837	-	-	PUNCT
eurjchem-2498	126	838	n11	n11	PROPN
eurjchem-2498	126	839	-	-	PUNCT
eurjchem-2498	126	840	c12	c12	NOUN
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eurjchem-2498	126	842	c39	c39	NOUN
eurjchem-2498	126	843	-	-	PUNCT
eurjchem-2498	126	844	c42	c42	VERB
eurjchem-2498	126	845	-	-	PUNCT
eurjchem-2498	126	846	c44	c44	NOUN
eurjchem-2498	126	847	-	-	PUNCT
eurjchem-2498	126	848	h47	h47	NOUN
eurjchem-2498	126	849	-180.0	-180.0	PROPN
eurjchem-2498	126	850	siluvairaj	siluvairaj	VERB
eurjchem-2498	126	851	et	et	PROPN
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eurjchem-2498	126	854	/	/	SYM
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eurjchem-2498	126	857	of	of	ADP
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eurjchem-2498	126	859	15	15	NUM
eurjchem-2498	126	860	(	(	PUNCT
eurjchem-2498	126	861	1	1	NUM
eurjchem-2498	126	862	)	)	PUNCT
eurjchem-2498	126	863	(	(	PUNCT
eurjchem-2498	126	864	2024	2024	NUM
eurjchem-2498	126	865	)	)	PUNCT
eurjchem-2498	126	866	50	50	NUM
eurjchem-2498	126	867	-	-	SYM
eurjchem-2498	126	868	70	70	NUM
eurjchem-2498	126	869	55	55	NUM
eurjchem-2498	126	870	2024	2024	NUM
eurjchem-2498	126	871	–	–	PUNCT
eurjchem-2498	126	872	european	european	ADJ
eurjchem-2498	126	873	journal	journal	NOUN
eurjchem-2498	126	874	of	of	ADP
eurjchem-2498	126	875	chemistry	chemistry	NOUN
eurjchem-2498	126	876	–	–	PUNCT
eurjchem-2498	126	877	cc	cc	NOUN
eurjchem-2498	126	878	by	by	ADP
eurjchem-2498	126	879	nc	nc	PROPN
eurjchem-2498	126	880	–	–	PUNCT
eurjchem-2498	126	881	doi	doi	NOUN
eurjchem-2498	126	882	:	:	PUNCT
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eurjchem-2498	126	884	/	/	SYM
eurjchem-2498	126	885	eurjchem.15.1.50	eurjchem.15.1.50	ADJ
eurjchem-2498	126	886	-	-	SYM
eurjchem-2498	126	887	70.2498	70.2498	NUM
eurjchem-2498	126	888	table	table	NOUN
eurjchem-2498	126	889	3	3	NUM
eurjchem-2498	126	890	.	.	PUNCT
eurjchem-2498	126	891	vibrational	vibrational	ADJ
eurjchem-2498	126	892	wavenumbers	wavenumber	NOUN
eurjchem-2498	126	893	obtained	obtain	VERB
eurjchem-2498	126	894	for	for	ADP
eurjchem-2498	126	895	compound	compound	NOUN
eurjchem-2498	126	896	1	1	NUM
eurjchem-2498	126	897	with	with	ADP
eurjchem-2498	126	898	dft	dft	PROPN
eurjchem-2498	126	899	-	-	PUNCT
eurjchem-2498	126	900	b3lyp/6	b3lyp/6	NOUN
eurjchem-2498	126	901	-	-	NOUN
eurjchem-2498	126	902	311+g(d	311+g(d	PROPN
eurjchem-2498	126	903	,	,	PUNCT
eurjchem-2498	126	904	p	p	NOUN
eurjchem-2498	126	905	)	)	PUNCT
eurjchem-2498	126	906	(	(	PUNCT
eurjchem-2498	126	907	harmonic	harmonic	ADJ
eurjchem-2498	126	908	frequency	frequency	NOUN
eurjchem-2498	126	909	(	(	PUNCT
eurjchem-2498	126	910	cm-1	cm-1	PROPN
eurjchem-2498	126	911	)	)	PUNCT
eurjchem-2498	126	912	,	,	PUNCT
eurjchem-2498	126	913	ir	ir	PROPN
eurjchem-2498	126	914	intensity	intensity	NOUN
eurjchem-2498	126	915	,	,	PUNCT
eurjchem-2498	126	916	raman	raman	NOUN
eurjchem-2498	126	917	activity	activity	NOUN
eurjchem-2498	126	918	(	(	PUNCT
eurjchem-2498	126	919	km	km	NOUN
eurjchem-2498	126	920	/	/	SYM
eurjchem-2498	126	921	mol	mol	NOUN
eurjchem-2498	126	922	)	)	PUNCT
eurjchem-2498	126	923	,	,	PUNCT
eurjchem-2498	126	924	reduced	reduce	VERB
eurjchem-2498	126	925	masses	masse	NOUN
eurjchem-2498	126	926	(	(	PUNCT
eurjchem-2498	126	927	a.m.u	a.m.u	NOUN
eurjchem-2498	126	928	.	.	PUNCT
eurjchem-2498	126	929	)	)	PUNCT
eurjchem-2498	127	1	and	and	CCONJ
eurjchem-2498	127	2	force	force	NOUN
eurjchem-2498	127	3	constants	constant	NOUN
eurjchem-2498	127	4	(	(	PUNCT
eurjchem-2498	127	5	n	n	CCONJ
eurjchem-2498	127	6	/	/	SYM
eurjchem-2498	127	7	m	m	NOUN
eurjchem-2498	127	8	)	)	PUNCT
eurjchem-2498	127	9	)	)	PUNCT
eurjchem-2498	128	1	*	*	PUNCT
eurjchem-2498	128	2	.	.	PUNCT
eurjchem-2498	129	1	mode	mode	PROPN
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eurjchem-2498	129	3	calculated	calculated	ADJ
eurjchem-2498	129	4	freq	freq	NOUN
eurjchem-2498	129	5	.	.	PUNCT
eurjchem-2498	130	1	(	(	PUNCT
eurjchem-2498	130	2	cm-1	cm-1	PROPN
eurjchem-2498	130	3	)	)	PUNCT
eurjchem-2498	130	4	ir	ir	PROPN
eurjchem-2498	130	5	intensity	intensity	NOUN
eurjchem-2498	130	6	raman	raman	NOUN
eurjchem-2498	130	7	activity	activity	NOUN
eurjchem-2498	130	8	reduced	reduce	VERB
eurjchem-2498	130	9	mass	mass	ADJ
eurjchem-2498	130	10	force	force	NOUN
eurjchem-2498	130	11	constant	constant	ADJ
eurjchem-2498	130	12	vibrational	vibrational	ADJ
eurjchem-2498	130	13	assignments	assignment	NOUN
eurjchem-2498	130	14	with	with	ADP
eurjchem-2498	130	15	>	>	SYM
eurjchem-2498	130	16	10	10	NUM
eurjchem-2498	130	17	%	%	NOUN
eurjchem-2498	130	18	ped	ped	NOUN
eurjchem-2498	130	19	1	1	NUM
eurjchem-2498	130	20	3543	3543	NUM
eurjchem-2498	130	21	23.40	23.40	NUM
eurjchem-2498	130	22	86.76	86.76	NUM
eurjchem-2498	130	23	1.10	1.10	NUM
eurjchem-2498	130	24	8.82	8.82	NUM
eurjchem-2498	130	25	νn11	νn11	PROPN
eurjchem-2498	130	26	-	-	PUNCT
eurjchem-2498	130	27	h12+n11	h12+n11	ADJ
eurjchem-2498	130	28	-	-	PUNCT
eurjchem-2498	130	29	h13(50	h13(50	NOUN
eurjchem-2498	130	30	)	)	PUNCT
eurjchem-2498	130	31	2	2	NUM
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eurjchem-2498	130	33	34.20	34.20	NUM
eurjchem-2498	130	34	298.58	298.58	NUM
eurjchem-2498	130	35	1.08	1.08	NUM
eurjchem-2498	130	36	8.23	8.23	NUM
eurjchem-2498	131	1	νn30	νn30	PROPN
eurjchem-2498	131	2	-	-	PUNCT
eurjchem-2498	131	3	h31(100	h31(100	NOUN
eurjchem-2498	131	4	)	)	PUNCT
eurjchem-2498	131	5	3	3	NUM
eurjchem-2498	131	6	3444	3444	NUM
eurjchem-2498	131	7	72.92	72.92	NUM
eurjchem-2498	131	8	537.60	537.60	NUM
eurjchem-2498	131	9	1.05	1.05	NUM
eurjchem-2498	131	10	7.92	7.92	NUM
eurjchem-2498	131	11	νn11	νn11	PROPN
eurjchem-2498	131	12	-	-	PUNCT
eurjchem-2498	131	13	h12+n11	h12+n11	ADJ
eurjchem-2498	131	14	-	-	PUNCT
eurjchem-2498	131	15	h13(50	h13(50	NOUN
eurjchem-2498	131	16	)	)	PUNCT
eurjchem-2498	131	17	4	4	NUM
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eurjchem-2498	135	396	c34(13)+	c34(13)+	NOUN
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eurjchem-2498	136	28	(	(	PUNCT
eurjchem-2498	136	29	2024	2024	NUM
eurjchem-2498	136	30	)	)	PUNCT
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eurjchem-2498	136	32	-	-	SYM
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eurjchem-2498	136	35	–	–	PUNCT
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eurjchem-2498	136	40	–	–	PUNCT
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eurjchem-2498	136	50	-	-	SYM
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eurjchem-2498	138	30	-	-	PUNCT
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eurjchem-2498	138	42	-	-	PUNCT
eurjchem-2498	138	43	c23(18	c23(18	NOUN
eurjchem-2498	138	44	)	)	PUNCT
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eurjchem-2498	138	51	τc5	τc5	NOUN
eurjchem-2498	138	52	-	-	PUNCT
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eurjchem-2498	138	54	-	-	PUNCT
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eurjchem-2498	138	56	-	-	PUNCT
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eurjchem-2498	140	55	0.06	0.06	NUM
eurjchem-2498	140	56	βc18	βc18	PROPN
eurjchem-2498	140	57	-	-	PUNCT
eurjchem-2498	140	58	c21	c21	NOUN
eurjchem-2498	140	59	-	-	PUNCT
eurjchem-2498	140	60	c27(15	c27(15	NOUN
eurjchem-2498	140	61	)	)	PUNCT
eurjchem-2498	140	62	103	103	NUM
eurjchem-2498	140	63	119	119	NUM
eurjchem-2498	140	64	0.06	0.06	NUM
eurjchem-2498	140	65	6.15	6.15	NUM
eurjchem-2498	140	66	7.55	7.55	NUM
eurjchem-2498	140	67	0.07	0.07	NUM
eurjchem-2498	140	68	τn14	τn14	PROPN
eurjchem-2498	140	69	-	-	PUNCT
eurjchem-2498	140	70	n15	n15	PROPN
eurjchem-2498	140	71	-	-	PUNCT
eurjchem-2498	140	72	c16	c16	PROPN
eurjchem-2498	140	73	-	-	PUNCT
eurjchem-2498	140	74	c18(62)+c2	c18(62)+c2	NOUN
eurjchem-2498	140	75	-	-	PUNCT
eurjchem-2498	140	76	c3	c3	NOUN
eurjchem-2498	140	77	-	-	PUNCT
eurjchem-2498	140	78	n14	n14	NOUN
eurjchem-2498	140	79	-	-	PUNCT
eurjchem-2498	140	80	n15(16	n15(16	NOUN
eurjchem-2498	140	81	)	)	PUNCT
eurjchem-2498	140	82	104	104	NUM
eurjchem-2498	140	83	87	87	NUM
eurjchem-2498	140	84	1.16	1.16	NUM
eurjchem-2498	140	85	8.75	8.75	NUM
eurjchem-2498	140	86	5.52	5.52	NUM
eurjchem-2498	140	87	0.03	0.03	NUM
eurjchem-2498	140	88	τc16	τc16	PROPN
eurjchem-2498	140	89	-	-	PUNCT
eurjchem-2498	140	90	c18	c18	NOUN
eurjchem-2498	140	91	-	-	PUNCT
eurjchem-2498	140	92	c21	c21	NOUN
eurjchem-2498	140	93	-	-	PUNCT
eurjchem-2498	140	94	c27(26)+c18	c27(26)+c18	NOUN
eurjchem-2498	140	95	-	-	PUNCT
eurjchem-2498	140	96	c21	c21	NOUN
eurjchem-2498	140	97	-	-	PUNCT
eurjchem-2498	140	98	c27	c27	NOUN
eurjchem-2498	140	99	-	-	PUNCT
eurjchem-2498	140	100	n29(19)+c21	n29(19)+c21	NOUN
eurjchem-2498	140	101	-	-	PUNCT
eurjchem-2498	140	102	c27	c27	NOUN
eurjchem-2498	140	103	-	-	PUNCT
eurjchem-2498	140	104	n29	n29	NOUN
eurjchem-2498	140	105	-	-	PUNCT
eurjchem-2498	140	106	n30(15	n30(15	NOUN
eurjchem-2498	140	107	)	)	PUNCT
eurjchem-2498	141	1	105	105	NUM
eurjchem-2498	141	2	59	59	NUM
eurjchem-2498	141	3	2.29	2.29	NUM
eurjchem-2498	141	4	4.71	4.71	NUM
eurjchem-2498	141	5	5.05	5.05	NUM
eurjchem-2498	141	6	0.01	0.01	NUM
eurjchem-2498	141	7	βc27	βc27	PROPN
eurjchem-2498	141	8	-	-	PUNCT
eurjchem-2498	141	9	n29	n29	NOUN
eurjchem-2498	141	10	-	-	PUNCT
eurjchem-2498	141	11	n30(16)+c21	n30(16)+c21	NOUN
eurjchem-2498	141	12	-	-	PUNCT
eurjchem-2498	141	13	c27	c27	NOUN
eurjchem-2498	141	14	-	-	PUNCT
eurjchem-2498	141	15	n29(11)+τn29	n29(11)+τn29	NOUN
eurjchem-2498	141	16	-	-	PUNCT
eurjchem-2498	141	17	n30	n30	NOUN
eurjchem-2498	141	18	-	-	PUNCT
eurjchem-2498	141	19	c32	c32	NOUN
eurjchem-2498	141	20	-	-	PUNCT
eurjchem-2498	141	21	c33(23	c33(23	NOUN
eurjchem-2498	141	22	)	)	PUNCT
eurjchem-2498	141	23	106	106	NUM
eurjchem-2498	141	24	51	51	NUM
eurjchem-2498	141	25	0.15	0.15	NUM
eurjchem-2498	141	26	2.96	2.96	NUM
eurjchem-2498	141	27	5.74	5.74	NUM
eurjchem-2498	141	28	0.01	0.01	NUM
eurjchem-2498	141	29	βn14	βn14	PROPN
eurjchem-2498	141	30	-	-	PUNCT
eurjchem-2498	141	31	n15	n15	NOUN
eurjchem-2498	141	32	-	-	PUNCT
eurjchem-2498	141	33	n16(14)+τc2	n16(14)+τc2	ADJ
eurjchem-2498	141	34	-	-	PUNCT
eurjchem-2498	141	35	c3	c3	NOUN
eurjchem-2498	141	36	-	-	PUNCT
eurjchem-2498	141	37	n14	n14	PROPN
eurjchem-2498	141	38	-	-	PUNCT
eurjchem-2498	141	39	n15(19)+γc17	n15(19)+γc17	NOUN
eurjchem-2498	141	40	-	-	PUNCT
eurjchem-2498	141	41	c18	c18	NOUN
eurjchem-2498	141	42	-	-	PUNCT
eurjchem-2498	141	43	n15	n15	NOUN
eurjchem-2498	141	44	-	-	PUNCT
eurjchem-2498	141	45	c16(18	c16(18	NOUN
eurjchem-2498	141	46	)	)	PUNCT
eurjchem-2498	141	47	*	*	PUNCT
eurjchem-2498	142	1	ν	ν	X
eurjchem-2498	142	2	:	:	PUNCT
eurjchem-2498	142	3	stretching	stretching	NOUN
eurjchem-2498	142	4	,	,	PUNCT
eurjchem-2498	142	5	β	β	NOUN
eurjchem-2498	142	6	:	:	PUNCT
eurjchem-2498	142	7	in	in	ADP
eurjchem-2498	142	8	-	-	PUNCT
eurjchem-2498	142	9	plane	plane	NOUN
eurjchem-2498	142	10	bending	bending	NOUN
eurjchem-2498	142	11	,	,	PUNCT
eurjchem-2498	142	12	γ	γ	X
eurjchem-2498	142	13	:	:	PUNCT
eurjchem-2498	142	14	out	out	ADJ
eurjchem-2498	142	15	-	-	PUNCT
eurjchem-2498	142	16	of	of	ADP
eurjchem-2498	142	17	-	-	PUNCT
eurjchem-2498	142	18	plane	plane	NOUN
eurjchem-2498	142	19	bending	bending	NOUN
eurjchem-2498	142	20	,	,	PUNCT
eurjchem-2498	142	21	ω	ω	NOUN
eurjchem-2498	142	22	:	:	PUNCT
eurjchem-2498	142	23	wagging	wagging	NOUN
eurjchem-2498	142	24	,	,	PUNCT
eurjchem-2498	142	25	t	t	NOUN
eurjchem-2498	142	26	:	:	PUNCT
eurjchem-2498	142	27	twisting	twisting	NOUN
eurjchem-2498	142	28	,	,	PUNCT
eurjchem-2498	142	29	δ	δ	NOUN
eurjchem-2498	142	30	:	:	PUNCT
eurjchem-2498	142	31	scissoring	scissoring	NOUN
eurjchem-2498	142	32	,	,	PUNCT
eurjchem-2498	142	33	ρ	ρ	PROPN
eurjchem-2498	142	34	:	:	PUNCT
eurjchem-2498	142	35	rocking	rock	VERB
eurjchem-2498	142	36	.	.	PUNCT
eurjchem-2498	143	1	the	the	DET
eurjchem-2498	143	2	vibrational	vibrational	ADJ
eurjchem-2498	143	3	spectral	spectral	ADJ
eurjchem-2498	143	4	data	datum	NOUN
eurjchem-2498	143	5	obtained	obtain	VERB
eurjchem-2498	143	6	from	from	ADP
eurjchem-2498	143	7	the	the	DET
eurjchem-2498	143	8	solid	solid	ADJ
eurjchem-2498	143	9	-	-	PUNCT
eurjchem-2498	143	10	phase	phase	NOUN
eurjchem-2498	143	11	ft	ft	NOUN
eurjchem-2498	143	12	-	-	PUNCT
eurjchem-2498	143	13	ir	ir	PROPN
eurjchem-2498	143	14	spectra	spectra	NOUN
eurjchem-2498	143	15	are	be	AUX
eurjchem-2498	143	16	assigned	assign	VERB
eurjchem-2498	143	17	on	on	ADP
eurjchem-2498	143	18	the	the	DET
eurjchem-2498	143	19	basis	basis	NOUN
eurjchem-2498	143	20	of	of	ADP
eurjchem-2498	143	21	the	the	DET
eurjchem-2498	143	22	results	result	NOUN
eurjchem-2498	143	23	of	of	ADP
eurjchem-2498	143	24	the	the	DET
eurjchem-2498	143	25	normal	normal	ADJ
eurjchem-2498	143	26	coordinate	coordinate	NOUN
eurjchem-2498	143	27	calculations	calculation	NOUN
eurjchem-2498	143	28	using	use	VERB
eurjchem-2498	143	29	the	the	DET
eurjchem-2498	143	30	veda	veda	PROPN
eurjchem-2498	143	31	program	program	NOUN
eurjchem-2498	143	32	to	to	ADP
eurjchem-2498	143	33	the	the	DET
eurjchem-2498	143	34	computed	computed	ADJ
eurjchem-2498	143	35	vibrational	vibrational	ADJ
eurjchem-2498	143	36	frequencies	frequency	NOUN
eurjchem-2498	143	37	in	in	ADP
eurjchem-2498	143	38	the	the	DET
eurjchem-2498	143	39	gaussian	gaussian	ADJ
eurjchem-2498	143	40	suite	suite	NOUN
eurjchem-2498	143	41	.	.	PUNCT
eurjchem-2498	144	1	on	on	ADP
eurjchem-2498	144	2	the	the	DET
eurjchem-2498	144	3	basis	basis	NOUN
eurjchem-2498	144	4	of	of	ADP
eurjchem-2498	144	5	the	the	DET
eurjchem-2498	144	6	comparison	comparison	NOUN
eurjchem-2498	144	7	between	between	ADP
eurjchem-2498	144	8	the	the	DET
eurjchem-2498	144	9	calculated	calculate	VERB
eurjchem-2498	144	10	and	and	CCONJ
eurjchem-2498	144	11	experimental	experimental	ADJ
eurjchem-2498	144	12	results	result	NOUN
eurjchem-2498	144	13	,	,	PUNCT
eurjchem-2498	144	14	assignments	assignment	NOUN
eurjchem-2498	144	15	of	of	ADP
eurjchem-2498	144	16	fundamental	fundamental	ADJ
eurjchem-2498	144	17	modes	mode	NOUN
eurjchem-2498	144	18	were	be	AUX
eurjchem-2498	144	19	carried	carry	VERB
eurjchem-2498	144	20	out	out	ADP
eurjchem-2498	144	21	.	.	PUNCT
eurjchem-2498	145	1	the	the	DET
eurjchem-2498	145	2	assignment	assignment	NOUN
eurjchem-2498	145	3	of	of	ADP
eurjchem-2498	145	4	the	the	DET
eurjchem-2498	145	5	experimental	experimental	ADJ
eurjchem-2498	145	6	frequencies	frequency	NOUN
eurjchem-2498	145	7	is	be	AUX
eurjchem-2498	145	8	based	base	VERB
eurjchem-2498	145	9	on	on	ADP
eurjchem-2498	145	10	the	the	DET
eurjchem-2498	145	11	observed	observe	VERB
eurjchem-2498	145	12	band	band	NOUN
eurjchem-2498	145	13	frequencies	frequency	NOUN
eurjchem-2498	145	14	in	in	ADP
eurjchem-2498	145	15	the	the	DET
eurjchem-2498	145	16	infrared	infrared	ADJ
eurjchem-2498	145	17	spectra	spectra	NOUN
eurjchem-2498	145	18	of	of	ADP
eurjchem-2498	145	19	this	this	DET
eurjchem-2498	145	20	species	specie	NOUN
eurjchem-2498	145	21	,	,	PUNCT
eurjchem-2498	145	22	confirmed	confirm	VERB
eurjchem-2498	145	23	by	by	ADP
eurjchem-2498	145	24	establishing	establish	VERB
eurjchem-2498	145	25	a	a	DET
eurjchem-2498	145	26	one	one	NUM
eurjchem-2498	145	27	-	-	PUNCT
eurjchem-2498	145	28	to	to	ADP
eurjchem-2498	145	29	-	-	PUNCT
eurjchem-2498	145	30	one	one	NUM
eurjchem-2498	145	31	correlation	correlation	NOUN
eurjchem-2498	145	32	between	between	ADP
eurjchem-2498	145	33	the	the	DET
eurjchem-2498	145	34	observed	observed	ADJ
eurjchem-2498	145	35	and	and	CCONJ
eurjchem-2498	145	36	theoretically	theoretically	ADV
eurjchem-2498	145	37	calculated	calculate	VERB
eurjchem-2498	145	38	frequencies	frequency	NOUN
eurjchem-2498	145	39	.	.	PUNCT
eurjchem-2498	146	1	the	the	DET
eurjchem-2498	146	2	calculated	calculate	VERB
eurjchem-2498	146	3	frequencies	frequency	NOUN
eurjchem-2498	146	4	are	be	AUX
eurjchem-2498	146	5	slightly	slightly	ADV
eurjchem-2498	146	6	higher	high	ADJ
eurjchem-2498	146	7	than	than	ADP
eurjchem-2498	146	8	the	the	DET
eurjchem-2498	146	9	observed	observe	VERB
eurjchem-2498	146	10	values	value	NOUN
eurjchem-2498	146	11	for	for	ADP
eurjchem-2498	146	12	the	the	DET
eurjchem-2498	146	13	majority	majority	NOUN
eurjchem-2498	146	14	of	of	ADP
eurjchem-2498	146	15	normal	normal	ADJ
eurjchem-2498	146	16	modes	mode	NOUN
eurjchem-2498	146	17	.	.	PUNCT
eurjchem-2498	147	1	two	two	NUM
eurjchem-2498	147	2	factors	factor	NOUN
eurjchem-2498	147	3	may	may	AUX
eurjchem-2498	147	4	be	be	AUX
eurjchem-2498	147	5	responsible	responsible	ADJ
eurjchem-2498	147	6	for	for	ADP
eurjchem-2498	147	7	the	the	DET
eurjchem-2498	147	8	discrepancies	discrepancy	NOUN
eurjchem-2498	147	9	between	between	ADP
eurjchem-2498	147	10	the	the	DET
eurjchem-2498	147	11	experimental	experimental	ADJ
eurjchem-2498	147	12	and	and	CCONJ
eurjchem-2498	147	13	computed	computed	ADJ
eurjchem-2498	147	14	spectra	spectra	NOUN
eurjchem-2498	147	15	of	of	ADP
eurjchem-2498	147	16	azodye	azodye	NOUN
eurjchem-2498	147	17	2	2	NUM
eurjchem-2498	147	18	.	.	PUNCT
eurjchem-2498	148	1	the	the	DET
eurjchem-2498	148	2	first	first	ADJ
eurjchem-2498	148	3	is	be	AUX
eurjchem-2498	148	4	caused	cause	VERB
eurjchem-2498	148	5	by	by	ADP
eurjchem-2498	148	6	environmental	environmental	ADJ
eurjchem-2498	148	7	conditions	condition	NOUN
eurjchem-2498	148	8	,	,	PUNCT
eurjchem-2498	148	9	and	and	CCONJ
eurjchem-2498	148	10	the	the	DET
eurjchem-2498	148	11	second	second	NOUN
eurjchem-2498	148	12	is	be	AUX
eurjchem-2498	148	13	due	due	ADJ
eurjchem-2498	148	14	to	to	ADP
eurjchem-2498	148	15	the	the	DET
eurjchem-2498	148	16	fact	fact	NOUN
eurjchem-2498	148	17	that	that	SCONJ
eurjchem-2498	148	18	the	the	DET
eurjchem-2498	148	19	experimental	experimental	ADJ
eurjchem-2498	148	20	value	value	NOUN
eurjchem-2498	148	21	is	be	AUX
eurjchem-2498	148	22	an	an	DET
eurjchem-2498	148	23	anharmonic	anharmonic	ADJ
eurjchem-2498	148	24	frequency	frequency	NOUN
eurjchem-2498	148	25	while	while	SCONJ
eurjchem-2498	148	26	the	the	DET
eurjchem-2498	148	27	calculated	calculate	VERB
eurjchem-2498	148	28	value	value	NOUN
eurjchem-2498	148	29	is	be	AUX
eurjchem-2498	148	30	a	a	DET
eurjchem-2498	148	31	harmonic	harmonic	ADJ
eurjchem-2498	148	32	frequency	frequency	NOUN
eurjchem-2498	148	33	[	[	X
eurjchem-2498	148	34	33	33	NUM
eurjchem-2498	148	35	]	]	PUNCT
eurjchem-2498	148	36	.	.	PUNCT
eurjchem-2498	149	1	the	the	DET
eurjchem-2498	149	2	phenyl	phenyl	NOUN
eurjchem-2498	149	3	ring	ring	NOUN
eurjchem-2498	149	4	modes	mode	NOUN
eurjchem-2498	149	5	mostly	mostly	ADV
eurjchem-2498	149	6	involve	involve	VERB
eurjchem-2498	149	7	c	c	NOUN
eurjchem-2498	149	8	-	-	PUNCT
eurjchem-2498	149	9	c	c	NOUN
eurjchem-2498	149	10	,	,	PUNCT
eurjchem-2498	149	11	and	and	CCONJ
eurjchem-2498	149	12	the	the	DET
eurjchem-2498	149	13	vibrational	vibrational	ADJ
eurjchem-2498	149	14	frequency	frequency	NOUN
eurjchem-2498	149	15	is	be	AUX
eurjchem-2498	149	16	associated	associate	VERB
eurjchem-2498	149	17	with	with	ADP
eurjchem-2498	149	18	c	c	NOUN
eurjchem-2498	149	19	-	-	PUNCT
eurjchem-2498	149	20	c	c	NOUN
eurjchem-2498	149	21	stretching	stretch	VERB
eurjchem-2498	149	22	modes	mode	NOUN
eurjchem-2498	149	23	of	of	ADP
eurjchem-2498	149	24	the	the	DET
eurjchem-2498	149	25	carbon	carbon	NOUN
eurjchem-2498	149	26	skeleton	skeleton	NOUN
eurjchem-2498	149	27	.	.	PUNCT
eurjchem-2498	150	1	the	the	DET
eurjchem-2498	150	2	c	c	NOUN
eurjchem-2498	150	3	-	-	PUNCT
eurjchem-2498	150	4	c	c	NOUN
eurjchem-2498	150	5	stretching	stretching	NOUN
eurjchem-2498	150	6	modes	mode	NOUN
eurjchem-2498	150	7	predicted	predict	VERB
eurjchem-2498	150	8	in	in	ADP
eurjchem-2498	150	9	the	the	DET
eurjchem-2498	150	10	range	range	NOUN
eurjchem-2498	150	11	1600	1600	NUM
eurjchem-2498	150	12	-	-	SYM
eurjchem-2498	150	13	1550	1550	NUM
eurjchem-2498	150	14	cm-1	cm-1	NOUN
eurjchem-2498	150	15	are	be	AUX
eurjchem-2498	150	16	in	in	ADP
eurjchem-2498	150	17	agreement	agreement	NOUN
eurjchem-2498	150	18	with	with	ADP
eurjchem-2498	150	19	the	the	DET
eurjchem-2498	150	20	experimental	experimental	ADJ
eurjchem-2498	150	21	observation	observation	NOUN
eurjchem-2498	150	22	of	of	ADP
eurjchem-2498	150	23	the	the	DET
eurjchem-2498	150	24	ir	ir	PROPN
eurjchem-2498	150	25	value	value	NOUN
eurjchem-2498	150	26	and	and	CCONJ
eurjchem-2498	150	27	the	the	DET
eurjchem-2498	150	28	amine	amine	ADJ
eurjchem-2498	150	29	counterpart	counterpart	NOUN
eurjchem-2498	150	30	1	1	NUM
eurjchem-2498	150	31	.	.	PUNCT
eurjchem-2498	151	1	the	the	DET
eurjchem-2498	151	2	aromatic	aromatic	ADJ
eurjchem-2498	151	3	c	c	NOUN
eurjchem-2498	151	4	-	-	PUNCT
eurjchem-2498	151	5	h	h	NOUN
eurjchem-2498	151	6	stretching	stretch	VERB
eurjchem-2498	151	7	frequencies	frequency	NOUN
eurjchem-2498	151	8	are	be	AUX
eurjchem-2498	151	9	found	find	VERB
eurjchem-2498	151	10	at	at	ADP
eurjchem-2498	151	11	3090	3090	NUM
eurjchem-2498	151	12	-	-	SYM
eurjchem-2498	151	13	3029	3029	NUM
eurjchem-2498	151	14	cm-1	cm-1	X
eurjchem-2498	151	15	(	(	PUNCT
eurjchem-2498	151	16	theoretical	theoretical	ADJ
eurjchem-2498	151	17	)	)	PUNCT
eurjchem-2498	151	18	for	for	ADP
eurjchem-2498	151	19	compound	compound	NOUN
eurjchem-2498	151	20	2	2	NUM
eurjchem-2498	151	21	(	(	PUNCT
eurjchem-2498	151	22	containing	contain	VERB
eurjchem-2498	151	23	anilide	anilide	ADV
eurjchem-2498	151	24	moiety	moiety	NOUN
eurjchem-2498	151	25	)	)	PUNCT
eurjchem-2498	151	26	coinciding	coincide	VERB
eurjchem-2498	151	27	with	with	ADP
eurjchem-2498	151	28	the	the	DET
eurjchem-2498	151	29	experimental	experimental	ADJ
eurjchem-2498	151	30	value	value	NOUN
eurjchem-2498	151	31	of	of	ADP
eurjchem-2498	151	32	3054	3054	NUM
eurjchem-2498	151	33	cm-1	cm-1	PROPN
eurjchem-2498	151	34	,	,	PUNCT
eurjchem-2498	151	35	and	and	CCONJ
eurjchem-2498	151	36	the	the	DET
eurjchem-2498	151	37	same	same	ADJ
eurjchem-2498	151	38	trend	trend	NOUN
eurjchem-2498	151	39	is	be	AUX
eurjchem-2498	151	40	also	also	ADV
eurjchem-2498	151	41	observed	observe	VERB
eurjchem-2498	151	42	in	in	ADP
eurjchem-2498	151	43	compound	compound	NOUN
eurjchem-2498	151	44	1	1	NUM
eurjchem-2498	151	45	(	(	PUNCT
eurjchem-2498	151	46	3156	3156	NUM
eurjchem-2498	151	47	-	-	SYM
eurjchem-2498	151	48	3033	3033	NUM
eurjchem-2498	151	49	cm-1	cm-1	NOUN
eurjchem-2498	151	50	)	)	PUNCT
eurjchem-2498	151	51	molecule	molecule	NOUN
eurjchem-2498	151	52	as	as	ADV
eurjchem-2498	151	53	well	well	ADV
eurjchem-2498	151	54	.	.	PUNCT
eurjchem-2498	152	1	the	the	DET
eurjchem-2498	152	2	stretching	stretching	NOUN
eurjchem-2498	152	3	of	of	ADP
eurjchem-2498	152	4	ch	ch	NOUN
eurjchem-2498	152	5	between	between	ADP
eurjchem-2498	152	6	3024	3024	NUM
eurjchem-2498	152	7	-	-	SYM
eurjchem-2498	152	8	2992	2992	NUM
eurjchem-2498	152	9	cm-1	cm-1	VERB
eurjchem-2498	152	10	is	be	AUX
eurjchem-2498	152	11	due	due	ADJ
eurjchem-2498	152	12	to	to	ADP
eurjchem-2498	152	13	the	the	DET
eurjchem-2498	152	14	aliphatic	aliphatic	ADJ
eurjchem-2498	152	15	group	group	NOUN
eurjchem-2498	152	16	in	in	ADP
eurjchem-2498	152	17	compound	compound	NOUN
eurjchem-2498	152	18	2	2	NUM
eurjchem-2498	152	19	,	,	PUNCT
eurjchem-2498	152	20	and	and	CCONJ
eurjchem-2498	152	21	a	a	DET
eurjchem-2498	152	22	similar	similar	ADJ
eurjchem-2498	152	23	stretching	stretching	NOUN
eurjchem-2498	152	24	is	be	AUX
eurjchem-2498	152	25	missing	miss	VERB
eurjchem-2498	152	26	in	in	ADP
eurjchem-2498	152	27	compound	compound	NOUN
eurjchem-2498	152	28	1	1	NUM
eurjchem-2498	152	29	molecule	molecule	NOUN
eurjchem-2498	152	30	.	.	PUNCT
eurjchem-2498	153	1	the	the	DET
eurjchem-2498	153	2	c13	c13	PROPN
eurjchem-2498	153	3	=	=	NOUN
eurjchem-2498	153	4	o14	o14	NOUN
eurjchem-2498	153	5	stretching	stretch	VERB
eurjchem-2498	153	6	at	at	ADP
eurjchem-2498	153	7	1677	1677	NUM
eurjchem-2498	153	8	cm-1	cm-1	NOUN
eurjchem-2498	153	9	matches	match	VERB
eurjchem-2498	153	10	the	the	DET
eurjchem-2498	153	11	experimental	experimental	ADJ
eurjchem-2498	153	12	value	value	NOUN
eurjchem-2498	153	13	at	at	ADP
eurjchem-2498	153	14	1650	1650	NUM
eurjchem-2498	153	15	cm-1	cm-1	NOUN
eurjchem-2498	153	16	.	.	PUNCT
eurjchem-2498	154	1	n35	n35	NUM
eurjchem-2498	154	2	-	-	PUNCT
eurjchem-2498	154	3	h36	h36	NOUN
eurjchem-2498	154	4	is	be	AUX
eurjchem-2498	154	5	observed	observe	VERB
eurjchem-2498	154	6	at	at	ADP
eurjchem-2498	154	7	3387	3387	NUM
eurjchem-2498	154	8	cm-1	cm-1	NOUN
eurjchem-2498	154	9	,	,	PUNCT
eurjchem-2498	154	10	its	its	PRON
eurjchem-2498	154	11	experimental	experimental	ADJ
eurjchem-2498	154	12	observation	observation	NOUN
eurjchem-2498	154	13	is	be	AUX
eurjchem-2498	154	14	around	around	ADV
eurjchem-2498	154	15	3307	3307	NUM
eurjchem-2498	154	16	cm-1	cm-1	NOUN
eurjchem-2498	154	17	,	,	PUNCT
eurjchem-2498	154	18	and	and	CCONJ
eurjchem-2498	154	19	it	it	PRON
eurjchem-2498	154	20	is	be	AUX
eurjchem-2498	154	21	supported	support	VERB
eurjchem-2498	154	22	by	by	ADP
eurjchem-2498	154	23	a	a	DET
eurjchem-2498	154	24	total	total	ADJ
eurjchem-2498	154	25	energy	energy	NOUN
eurjchem-2498	154	26	distribution	distribution	NOUN
eurjchem-2498	154	27	(	(	PUNCT
eurjchem-2498	154	28	ted	ted	ADJ
eurjchem-2498	154	29	)	)	PUNCT
eurjchem-2498	154	30	value	value	NOUN
eurjchem-2498	154	31	of	of	ADP
eurjchem-2498	154	32	99	99	NUM
eurjchem-2498	154	33	%	%	NOUN
eurjchem-2498	154	34	,	,	PUNCT
eurjchem-2498	154	35	which	which	PRON
eurjchem-2498	154	36	is	be	AUX
eurjchem-2498	154	37	found	find	VERB
eurjchem-2498	154	38	at	at	ADP
eurjchem-2498	154	39	around	around	ADP
eurjchem-2498	154	40	3462	3462	NUM
eurjchem-2498	154	41	cm-1	cm-1	VERB
eurjchem-2498	154	42	for	for	ADP
eurjchem-2498	154	43	n30	n30	NOUN
eurjchem-2498	154	44	-	-	PUNCT
eurjchem-2498	154	45	h31	h31	NOUN
eurjchem-2498	154	46	.	.	PUNCT
eurjchem-2498	155	1	the	the	DET
eurjchem-2498	155	2	n	n	CCONJ
eurjchem-2498	155	3	-	-	PUNCT
eurjchem-2498	155	4	h	h	NOUN
eurjchem-2498	155	5	stretching	stretching	NOUN
eurjchem-2498	155	6	at	at	ADP
eurjchem-2498	155	7	3543	3543	NUM
eurjchem-2498	155	8	cm-1	cm-1	NOUN
eurjchem-2498	155	9	with	with	ADP
eurjchem-2498	155	10	a	a	DET
eurjchem-2498	155	11	ted	te	VERB
eurjchem-2498	155	12	value	value	NOUN
eurjchem-2498	155	13	of	of	ADP
eurjchem-2498	155	14	50	50	NUM
eurjchem-2498	155	15	%	%	NOUN
eurjchem-2498	155	16	is	be	AUX
eurjchem-2498	155	17	predicted	predict	VERB
eurjchem-2498	155	18	in	in	ADP
eurjchem-2498	155	19	compound	compound	NOUN
eurjchem-2498	155	20	1	1	NUM
eurjchem-2498	155	21	.	.	PUNCT
eurjchem-2498	156	1	the	the	DET
eurjchem-2498	156	2	stretching	stretching	NOUN
eurjchem-2498	156	3	of	of	ADP
eurjchem-2498	156	4	the	the	DET
eurjchem-2498	156	5	oh	oh	INTJ
eurjchem-2498	156	6	of	of	ADP
eurjchem-2498	156	7	the	the	DET
eurjchem-2498	156	8	molecule	molecule	NOUN
eurjchem-2498	156	9	under	under	ADP
eurjchem-2498	156	10	study	study	NOUN
eurjchem-2498	156	11	is	be	AUX
eurjchem-2498	156	12	observed	observe	VERB
eurjchem-2498	156	13	at	at	ADP
eurjchem-2498	156	14	3296	3296	NUM
eurjchem-2498	156	15	cm-1	cm-1	X
eurjchem-2498	156	16	(	(	PUNCT
eurjchem-2498	156	17	theoretical	theoretical	ADJ
eurjchem-2498	156	18	)	)	PUNCT
eurjchem-2498	156	19	and	and	CCONJ
eurjchem-2498	156	20	3300	3300	NUM
eurjchem-2498	156	21	cm-1	cm-1	X
eurjchem-2498	156	22	(	(	PUNCT
eurjchem-2498	156	23	experimental	experimental	ADJ
eurjchem-2498	156	24	)	)	PUNCT
eurjchem-2498	156	25	for	for	ADP
eurjchem-2498	156	26	compound	compound	NOUN
eurjchem-2498	156	27	2	2	NUM
eurjchem-2498	156	28	,	,	PUNCT
eurjchem-2498	156	29	and	and	CCONJ
eurjchem-2498	156	30	it	it	PRON
eurjchem-2498	156	31	is	be	AUX
eurjchem-2498	156	32	around	around	ADP
eurjchem-2498	156	33	3279	3279	NUM
eurjchem-2498	156	34	cm-1	cm-1	X
eurjchem-2498	156	35	(	(	PUNCT
eurjchem-2498	156	36	theoretical	theoretical	ADJ
eurjchem-2498	156	37	)	)	PUNCT
eurjchem-2498	156	38	in	in	ADP
eurjchem-2498	156	39	compound	compound	NOUN
eurjchem-2498	156	40	1	1	NUM
eurjchem-2498	156	41	.	.	PUNCT
eurjchem-2498	157	1	the	the	DET
eurjchem-2498	157	2	difference	difference	NOUN
eurjchem-2498	157	3	may	may	AUX
eurjchem-2498	157	4	be	be	AUX
eurjchem-2498	157	5	due	due	ADJ
eurjchem-2498	157	6	to	to	ADP
eurjchem-2498	157	7	the	the	DET
eurjchem-2498	157	8	absence	absence	NOUN
eurjchem-2498	157	9	of	of	ADP
eurjchem-2498	157	10	intermolecular	intermolecular	ADJ
eurjchem-2498	157	11	hydrogen	hydrogen	NOUN
eurjchem-2498	157	12	bonding	bonding	NOUN
eurjchem-2498	157	13	in	in	ADP
eurjchem-2498	157	14	the	the	DET
eurjchem-2498	157	15	gas	gas	NOUN
eurjchem-2498	157	16	phase	phase	NOUN
eurjchem-2498	157	17	.	.	PUNCT
eurjchem-2498	158	1	the	the	DET
eurjchem-2498	158	2	c	c	NOUN
eurjchem-2498	158	3	-	-	PUNCT
eurjchem-2498	158	4	n	n	PRON
eurjchem-2498	158	5	mode	mode	NOUN
eurjchem-2498	158	6	azo	azo	NOUN
eurjchem-2498	158	7	compounds	compound	NOUN
eurjchem-2498	158	8	are	be	AUX
eurjchem-2498	158	9	expected	expect	VERB
eurjchem-2498	158	10	to	to	PART
eurjchem-2498	158	11	appear	appear	VERB
eurjchem-2498	158	12	in	in	ADP
eurjchem-2498	158	13	the	the	DET
eurjchem-2498	158	14	region	region	NOUN
eurjchem-2498	158	15	1200	1200	NUM
eurjchem-2498	158	16	to	to	ADP
eurjchem-2498	158	17	1300	1300	NUM
eurjchem-2498	158	18	cm-1	cm-1	NOUN
eurjchem-2498	158	19	.	.	PUNCT
eurjchem-2498	159	1	the	the	DET
eurjchem-2498	159	2	wave	wave	NOUN
eurjchem-2498	159	3	number	number	NOUN
eurjchem-2498	159	4	and	and	CCONJ
eurjchem-2498	159	5	intensity	intensity	NOUN
eurjchem-2498	159	6	depend	depend	VERB
eurjchem-2498	159	7	on	on	ADP
eurjchem-2498	159	8	the	the	DET
eurjchem-2498	159	9	neighboring	neighboring	NOUN
eurjchem-2498	159	10	group	group	NOUN
eurjchem-2498	159	11	effect	effect	NOUN
eurjchem-2498	159	12	because	because	SCONJ
eurjchem-2498	159	13	of	of	ADP
eurjchem-2498	159	14	neighboring	neighboring	NOUN
eurjchem-2498	159	15	substituents	substituent	NOUN
eurjchem-2498	159	16	.	.	PUNCT
eurjchem-2498	160	1	strong	strong	ADJ
eurjchem-2498	160	2	bands	band	NOUN
eurjchem-2498	160	3	appear	appear	VERB
eurjchem-2498	160	4	at	at	ADP
eurjchem-2498	160	5	1450	1450	NUM
eurjchem-2498	160	6	cm-1	cm-1	X
eurjchem-2498	160	7	(	(	PUNCT
eurjchem-2498	160	8	ft	ft	PROPN
eurjchem-2498	160	9	-	-	PUNCT
eurjchem-2498	160	10	ir	ir	NOUN
eurjchem-2498	160	11	)	)	PUNCT
eurjchem-2498	160	12	originating	originate	VERB
eurjchem-2498	160	13	from	from	ADP
eurjchem-2498	160	14	the	the	DET
eurjchem-2498	160	15	stretching	stretch	VERB
eurjchem-2498	160	16	vibration	vibration	NOUN
eurjchem-2498	160	17	bands	band	NOUN
eurjchem-2498	160	18	assigned	assign	VERB
eurjchem-2498	160	19	to	to	ADP
eurjchem-2498	160	20	νn19	νn19	PROPN
eurjchem-2498	160	21	-	-	PUNCT
eurjchem-2498	160	22	n20	n20	NOUN
eurjchem-2498	160	23	,	,	PUNCT
eurjchem-2498	160	24	which	which	PRON
eurjchem-2498	160	25	is	be	AUX
eurjchem-2498	160	26	comparable	comparable	ADJ
eurjchem-2498	160	27	with	with	ADP
eurjchem-2498	160	28	1453	1453	NUM
eurjchem-2498	160	29	cm-1	cm-1	X
eurjchem-2498	160	30	(	(	PUNCT
eurjchem-2498	160	31	theoretical	theoretical	ADJ
eurjchem-2498	160	32	)	)	PUNCT
eurjchem-2498	160	33	and	and	CCONJ
eurjchem-2498	160	34	with	with	ADP
eurjchem-2498	160	35	1505	1505	NUM
eurjchem-2498	160	36	cm-1	cm-1	VERB
eurjchem-2498	160	37	in	in	ADP
eurjchem-2498	160	38	compound	compound	NOUN
eurjchem-2498	160	39	1	1	NUM
eurjchem-2498	160	40	.	.	PUNCT
eurjchem-2498	161	1	in	in	ADP
eurjchem-2498	161	2	compound	compound	NOUN
eurjchem-2498	161	3	2	2	NUM
eurjchem-2498	161	4	,	,	PUNCT
eurjchem-2498	161	5	n35	n35	NUM
eurjchem-2498	161	6	-	-	PUNCT
eurjchem-2498	161	7	n34	n34	NOUN
eurjchem-2498	161	8	stretching	stretching	NOUN
eurjchem-2498	161	9	is	be	AUX
eurjchem-2498	161	10	predicted	predict	VERB
eurjchem-2498	161	11	at	at	ADP
eurjchem-2498	161	12	1135	1135	NUM
eurjchem-2498	161	13	cm-1	cm-1	VERB
eurjchem-2498	161	14	with	with	ADP
eurjchem-2498	161	15	ted	ted	PROPN
eurjchem-2498	161	16	(	(	PUNCT
eurjchem-2498	161	17	30	30	NUM
eurjchem-2498	161	18	%	%	NOUN
eurjchem-2498	161	19	)	)	PUNCT
eurjchem-2498	161	20	,	,	PUNCT
eurjchem-2498	161	21	and	and	CCONJ
eurjchem-2498	161	22	for	for	ADP
eurjchem-2498	161	23	compound	compound	NOUN
eurjchem-2498	161	24	1	1	NUM
eurjchem-2498	161	25	,	,	PUNCT
eurjchem-2498	161	26	n29	n29	NOUN
eurjchem-2498	161	27	-	-	PUNCT
eurjchem-2498	161	28	n30	n30	NOUN
eurjchem-2498	161	29	is	be	AUX
eurjchem-2498	161	30	around	around	ADP
eurjchem-2498	161	31	1063	1063	NUM
eurjchem-2498	161	32	cm-1	cm-1	NOUN
eurjchem-2498	161	33	,	,	PUNCT
eurjchem-2498	161	34	ted	te	VERB
eurjchem-2498	161	35	(	(	PUNCT
eurjchem-2498	161	36	22	22	NUM
eurjchem-2498	161	37	%	%	NOUN
eurjchem-2498	161	38	)	)	PUNCT
eurjchem-2498	161	39	.	.	PUNCT
eurjchem-2498	162	1	c32	c32	NOUN
eurjchem-2498	162	2	=	=	SYM
eurjchem-2498	162	3	n34	n34	NOUN
eurjchem-2498	162	4	stretching	stretch	VERB
eurjchem-2498	162	5	at	at	ADP
eurjchem-2498	162	6	1600	1600	NUM
eurjchem-2498	162	7	cm1	cm1	NOUN
eurjchem-2498	162	8	with	with	ADP
eurjchem-2498	162	9	a	a	DET
eurjchem-2498	162	10	theoretical	theoretical	ADJ
eurjchem-2498	162	11	value	value	NOUN
eurjchem-2498	162	12	of	of	ADP
eurjchem-2498	162	13	1588	1588	NUM
eurjchem-2498	162	14	cm-1	cm-1	VERB
eurjchem-2498	162	15	for	for	ADP
eurjchem-2498	162	16	compound	compound	NOUN
eurjchem-2498	162	17	2	2	NUM
eurjchem-2498	162	18	,	,	PUNCT
eurjchem-2498	162	19	and	and	CCONJ
eurjchem-2498	162	20	for	for	ADP
eurjchem-2498	162	21	compound	compound	NOUN
eurjchem-2498	162	22	1	1	NUM
eurjchem-2498	162	23	its	its	PRON
eurjchem-2498	162	24	1602	1602	NUM
eurjchem-2498	162	25	cm-1	cm-1	X
eurjchem-2498	162	26	for	for	ADP
eurjchem-2498	162	27	c27	c27	NOUN
eurjchem-2498	162	28	=	=	PROPN
eurjchem-2498	162	29	n29	n29	NOUN
eurjchem-2498	162	30	with	with	ADP
eurjchem-2498	162	31	51	51	NUM
eurjchem-2498	162	32	%	%	NOUN
eurjchem-2498	162	33	ted	te	VERB
eurjchem-2498	163	1	[	[	X
eurjchem-2498	163	2	34	34	NUM
eurjchem-2498	163	3	]	]	PUNCT
eurjchem-2498	163	4	.	.	PUNCT
eurjchem-2498	164	1	3.3	3.3	NUM
eurjchem-2498	164	2	.	.	PUNCT
eurjchem-2498	165	1	uv	uv	NOUN
eurjchem-2498	165	2	-	-	PUNCT
eurjchem-2498	165	3	vis	vis	X
eurjchem-2498	165	4	data	datum	NOUN
eurjchem-2498	165	5	and	and	CCONJ
eurjchem-2498	165	6	fmo	fmo	NOUN
eurjchem-2498	165	7	analysis	analysis	NOUN
eurjchem-2498	165	8	theoretical	theoretical	ADJ
eurjchem-2498	165	9	uv	uv	NOUN
eurjchem-2498	165	10	-	-	PUNCT
eurjchem-2498	165	11	vis	vis	X
eurjchem-2498	165	12	spectral	spectral	ADJ
eurjchem-2498	165	13	data	datum	NOUN
eurjchem-2498	165	14	for	for	ADP
eurjchem-2498	165	15	compounds	compound	NOUN
eurjchem-2498	165	16	1	1	NUM
eurjchem-2498	165	17	and	and	CCONJ
eurjchem-2498	165	18	2	2	NUM
eurjchem-2498	165	19	are	be	AUX
eurjchem-2498	165	20	given	give	VERB
eurjchem-2498	165	21	in	in	ADP
eurjchem-2498	165	22	tables	table	NOUN
eurjchem-2498	165	23	5	5	NUM
eurjchem-2498	165	24	and	and	CCONJ
eurjchem-2498	165	25	6	6	NUM
eurjchem-2498	165	26	and	and	CCONJ
eurjchem-2498	165	27	figure	figure	VERB
eurjchem-2498	165	28	3	3	NUM
eurjchem-2498	165	29	.	.	PUNCT
eurjchem-2498	166	1	in	in	ADP
eurjchem-2498	166	2	uv	uv	NOUN
eurjchem-2498	166	3	-	-	PUNCT
eurjchem-2498	166	4	visible	visible	ADJ
eurjchem-2498	166	5	data	datum	NOUN
eurjchem-2498	166	6	,	,	PUNCT
eurjchem-2498	166	7	compound	compound	NOUN
eurjchem-2498	166	8	2	2	NUM
eurjchem-2498	166	9	exhibits	exhibit	VERB
eurjchem-2498	166	10	two	two	NUM
eurjchem-2498	166	11	transitions	transition	NOUN
eurjchem-2498	166	12	in	in	ADP
eurjchem-2498	166	13	water	water	NOUN
eurjchem-2498	166	14	,	,	PUNCT
eurjchem-2498	166	15	and	and	CCONJ
eurjchem-2498	166	16	the	the	DET
eurjchem-2498	166	17	one	one	NOUN
eurjchem-2498	166	18	with	with	ADP
eurjchem-2498	166	19	higher	high	ADJ
eurjchem-2498	166	20	oscillator	oscillator	NOUN
eurjchem-2498	166	21	strength	strength	NOUN
eurjchem-2498	166	22	occurs	occur	VERB
eurjchem-2498	166	23	at	at	ADP
eurjchem-2498	166	24	378.7	378.7	NUM
eurjchem-2498	166	25	nm	nm	NOUN
eurjchem-2498	166	26	.	.	PUNCT
eurjchem-2498	167	1	it	it	PRON
eurjchem-2498	167	2	is	be	AUX
eurjchem-2498	167	3	due	due	ADJ
eurjchem-2498	167	4	to	to	PART
eurjchem-2498	167	5	homo3	homo3	VERB
eurjchem-2498	167	6	to	to	ADP
eurjchem-2498	167	7	lumo	lumo	NOUN
eurjchem-2498	167	8	(	(	PUNCT
eurjchem-2498	167	9	3	3	NUM
eurjchem-2498	167	10	%	%	NOUN
eurjchem-2498	167	11	)	)	PUNCT
eurjchem-2498	167	12	,	,	PUNCT
eurjchem-2498	167	13	homo-2	homo-2	NUM
eurjchem-2498	167	14	to	to	ADP
eurjchem-2498	167	15	lumo	lumo	NOUN
eurjchem-2498	167	16	(	(	PUNCT
eurjchem-2498	167	17	37	37	NUM
eurjchem-2498	167	18	%	%	NOUN
eurjchem-2498	167	19	)	)	PUNCT
eurjchem-2498	167	20	,	,	PUNCT
eurjchem-2498	167	21	and	and	CCONJ
eurjchem-2498	167	22	homo	homo	NOUN
eurjchem-2498	167	23	to	to	ADP
eurjchem-2498	167	24	lumo	lumo	NOUN
eurjchem-2498	167	25	(	(	PUNCT
eurjchem-2498	167	26	43	43	NUM
eurjchem-2498	167	27	%	%	NOUN
eurjchem-2498	167	28	)	)	PUNCT
eurjchem-2498	167	29	.	.	PUNCT
eurjchem-2498	168	1	in	in	ADP
eurjchem-2498	168	2	all	all	DET
eurjchem-2498	168	3	solvents	solvent	NOUN
eurjchem-2498	168	4	,	,	PUNCT
eurjchem-2498	168	5	there	there	PRON
eurjchem-2498	168	6	are	be	VERB
eurjchem-2498	168	7	two	two	NUM
eurjchem-2498	168	8	bands	band	NOUN
eurjchem-2498	168	9	,	,	PUNCT
eurjchem-2498	168	10	one	one	NUM
eurjchem-2498	168	11	at	at	ADP
eurjchem-2498	168	12	360	360	NUM
eurjchem-2498	168	13	-	-	SYM
eurjchem-2498	168	14	378	378	NUM
eurjchem-2498	168	15	and	and	CCONJ
eurjchem-2498	168	16	382	382	NUM
eurjchem-2498	168	17	-	-	SYM
eurjchem-2498	168	18	390	390	NUM
eurjchem-2498	168	19	nm	nm	NOUN
eurjchem-2498	168	20	.	.	PUNCT
eurjchem-2498	169	1	the	the	DET
eurjchem-2498	169	2	lowest	low	ADJ
eurjchem-2498	169	3	wavelength	wavelength	NOUN
eurjchem-2498	169	4	341.8	341.8	NUM
eurjchem-2498	169	5	nm	nm	NOUN
eurjchem-2498	169	6	is	be	AUX
eurjchem-2498	169	7	obtained	obtain	VERB
eurjchem-2498	169	8	in	in	ADP
eurjchem-2498	169	9	water	water	NOUN
eurjchem-2498	169	10	solvent	solvent	NOUN
eurjchem-2498	170	1	[	[	X
eurjchem-2498	170	2	35	35	NUM
eurjchem-2498	170	3	]	]	PUNCT
eurjchem-2498	170	4	.	.	PUNCT
eurjchem-2498	171	1	two	two	NUM
eurjchem-2498	171	2	transitions	transition	NOUN
eurjchem-2498	171	3	are	be	AUX
eurjchem-2498	171	4	identified	identify	VERB
eurjchem-2498	171	5	in	in	ADP
eurjchem-2498	171	6	all	all	DET
eurjchem-2498	171	7	the	the	DET
eurjchem-2498	171	8	solvents	solvent	NOUN
eurjchem-2498	171	9	.	.	PUNCT
eurjchem-2498	172	1	the	the	DET
eurjchem-2498	172	2	highest	high	ADJ
eurjchem-2498	172	3	wavelength	wavelength	NOUN
eurjchem-2498	172	4	is	be	AUX
eurjchem-2498	172	5	360.9	360.9	NUM
eurjchem-2498	172	6	nm	nm	NOUN
eurjchem-2498	172	7	,	,	PUNCT
eurjchem-2498	172	8	obtained	obtain	VERB
eurjchem-2498	172	9	for	for	ADP
eurjchem-2498	172	10	acetone	acetone	NOUN
eurjchem-2498	172	11	,	,	PUNCT
eurjchem-2498	172	12	and	and	CCONJ
eurjchem-2498	172	13	the	the	DET
eurjchem-2498	172	14	smallest	small	ADJ
eurjchem-2498	172	15	is	be	AUX
eurjchem-2498	172	16	342.6	342.6	NUM
eurjchem-2498	172	17	nm	nm	NOUN
eurjchem-2498	172	18	for	for	ADP
eurjchem-2498	172	19	benzene	benzene	NOUN
eurjchem-2498	172	20	solvent	solvent	NOUN
eurjchem-2498	172	21	.	.	PUNCT
eurjchem-2498	173	1	it	it	PRON
eurjchem-2498	173	2	is	be	AUX
eurjchem-2498	173	3	h→l	h→l	PROPN
eurjchem-2498	173	4	(	(	PUNCT
eurjchem-2498	173	5	53	53	NUM
eurjchem-2498	173	6	%	%	NOUN
eurjchem-2498	173	7	)	)	PUNCT
eurjchem-2498	173	8	and	and	CCONJ
eurjchem-2498	173	9	h-1→l	h-1→l	PROPN
eurjchem-2498	173	10	(	(	PUNCT
eurjchem-2498	173	11	41	41	NUM
eurjchem-2498	173	12	%	%	NOUN
eurjchem-2498	173	13	)	)	PUNCT
eurjchem-2498	173	14	,	,	PUNCT
eurjchem-2498	173	15	respectively	respectively	ADV
eurjchem-2498	173	16	.	.	PUNCT
eurjchem-2498	174	1	the	the	DET
eurjchem-2498	174	2	experimental	experimental	ADJ
eurjchem-2498	174	3	values	value	NOUN
eurjchem-2498	174	4	coincide	coincide	VERB
eurjchem-2498	174	5	with	with	ADP
eurjchem-2498	174	6	the	the	DET
eurjchem-2498	174	7	calculated	calculate	VERB
eurjchem-2498	174	8	λmax	λmax	NOUN
eurjchem-2498	174	9	[	[	X
eurjchem-2498	174	10	36	36	NUM
eurjchem-2498	174	11	]	]	PUNCT
eurjchem-2498	174	12	.	.	PUNCT
eurjchem-2498	175	1	the	the	DET
eurjchem-2498	175	2	calculated	calculated	ADJ
eurjchem-2498	175	3	and	and	CCONJ
eurjchem-2498	175	4	experimental	experimental	ADJ
eurjchem-2498	175	5	uv	uv	PROPN
eurjchem-2498	175	6	visible	visible	ADJ
eurjchem-2498	175	7	spectral	spectral	ADJ
eurjchem-2498	175	8	values	value	NOUN
eurjchem-2498	175	9	,	,	PUNCT
eurjchem-2498	175	10	such	such	ADJ
eurjchem-2498	175	11	as	as	ADP
eurjchem-2498	175	12	energy	energy	NOUN
eurjchem-2498	175	13	,	,	PUNCT
eurjchem-2498	175	14	oscillator	oscillator	NOUN
eurjchem-2498	175	15	strength	strength	NOUN
eurjchem-2498	175	16	,	,	PUNCT
eurjchem-2498	175	17	and	and	CCONJ
eurjchem-2498	175	18	λmax	λmax	NOUN
eurjchem-2498	175	19	for	for	ADP
eurjchem-2498	175	20	compound	compound	NOUN
eurjchem-2498	175	21	2	2	NUM
eurjchem-2498	175	22	are	be	AUX
eurjchem-2498	175	23	compared	compare	VERB
eurjchem-2498	175	24	in	in	ADP
eurjchem-2498	175	25	table	table	NOUN
eurjchem-2498	175	26	6	6	NUM
eurjchem-2498	175	27	.	.	PUNCT
eurjchem-2498	176	1	two	two	NUM
eurjchem-2498	176	2	transitions	transition	NOUN
eurjchem-2498	176	3	are	be	AUX
eurjchem-2498	176	4	identified	identify	VERB
eurjchem-2498	176	5	in	in	ADP
eurjchem-2498	176	6	all	all	DET
eurjchem-2498	176	7	the	the	DET
eurjchem-2498	176	8	solvents	solvent	NOUN
eurjchem-2498	176	9	.	.	PUNCT
eurjchem-2498	177	1	the	the	DET
eurjchem-2498	177	2	highest	high	ADJ
eurjchem-2498	177	3	wavelength	wavelength	NOUN
eurjchem-2498	177	4	is	be	AUX
eurjchem-2498	177	5	476.5	476.5	NUM
eurjchem-2498	177	6	nm	nm	NOUN
eurjchem-2498	177	7	,	,	PUNCT
eurjchem-2498	177	8	obtained	obtain	VERB
eurjchem-2498	177	9	for	for	ADP
eurjchem-2498	177	10	dmso	dmso	NOUN
eurjchem-2498	177	11	,	,	PUNCT
eurjchem-2498	177	12	and	and	CCONJ
eurjchem-2498	177	13	the	the	DET
eurjchem-2498	177	14	smallest	small	ADJ
eurjchem-2498	177	15	is	be	AUX
eurjchem-2498	177	16	396.3	396.3	NUM
eurjchem-2498	177	17	nm	nm	NOUN
eurjchem-2498	177	18	for	for	ADP
eurjchem-2498	177	19	the	the	DET
eurjchem-2498	177	20	benzene	benzene	NOUN
eurjchem-2498	177	21	solvent	solvent	NOUN
eurjchem-2498	177	22	.	.	PUNCT
eurjchem-2498	178	1	they	they	PRON
eurjchem-2498	178	2	are	be	AUX
eurjchem-2498	178	3	h1→l(98	h1→l(98	NOUN
eurjchem-2498	178	4	)	)	PUNCT
eurjchem-2498	178	5	and	and	CCONJ
eurjchem-2498	178	6	h-1→l(88	h-1→l(88	PROPN
eurjchem-2498	178	7	)	)	PUNCT
eurjchem-2498	178	8	,	,	PUNCT
eurjchem-2498	178	9	respectively	respectively	ADV
eurjchem-2498	178	10	.	.	PUNCT
eurjchem-2498	179	1	the	the	DET
eurjchem-2498	179	2	experimental	experimental	ADJ
eurjchem-2498	179	3	values	value	NOUN
eurjchem-2498	179	4	coincide	coincide	VERB
eurjchem-2498	179	5	with	with	ADP
eurjchem-2498	179	6	the	the	DET
eurjchem-2498	179	7	calculated	calculate	VERB
eurjchem-2498	179	8	λmax	λmax	NOUN
eurjchem-2498	179	9	[	[	X
eurjchem-2498	179	10	30	30	NUM
eurjchem-2498	179	11	]	]	PUNCT
eurjchem-2498	179	12	.	.	PUNCT
eurjchem-2498	180	1	siluvairaj	siluvairaj	VERB
eurjchem-2498	180	2	et	et	PROPN
eurjchem-2498	180	3	al	al	PROPN
eurjchem-2498	180	4	.	.	PUNCT
eurjchem-2498	180	5	/	/	SYM
eurjchem-2498	180	6	european	european	PROPN
eurjchem-2498	180	7	journal	journal	PROPN
eurjchem-2498	180	8	of	of	ADP
eurjchem-2498	180	9	chemistry	chemistry	NOUN
eurjchem-2498	180	10	15	15	NUM
eurjchem-2498	180	11	(	(	PUNCT
eurjchem-2498	180	12	1	1	NUM
eurjchem-2498	180	13	)	)	PUNCT
eurjchem-2498	180	14	(	(	PUNCT
eurjchem-2498	180	15	2024	2024	NUM
eurjchem-2498	180	16	)	)	PUNCT
eurjchem-2498	180	17	50	50	NUM
eurjchem-2498	180	18	-	-	SYM
eurjchem-2498	180	19	70	70	NUM
eurjchem-2498	180	20	57	57	NUM
eurjchem-2498	180	21	2024	2024	NUM
eurjchem-2498	180	22	–	–	PUNCT
eurjchem-2498	180	23	european	european	ADJ
eurjchem-2498	180	24	journal	journal	NOUN
eurjchem-2498	180	25	of	of	ADP
eurjchem-2498	180	26	chemistry	chemistry	NOUN
eurjchem-2498	180	27	–	–	PUNCT
eurjchem-2498	180	28	cc	cc	NOUN
eurjchem-2498	180	29	by	by	ADP
eurjchem-2498	180	30	nc	nc	PROPN
eurjchem-2498	180	31	–	–	PUNCT
eurjchem-2498	180	32	doi	doi	NOUN
eurjchem-2498	180	33	:	:	PUNCT
eurjchem-2498	180	34	10.5155	10.5155	NUM
eurjchem-2498	180	35	/	/	SYM
eurjchem-2498	180	36	eurjchem.15.1.50	eurjchem.15.1.50	ADJ
eurjchem-2498	180	37	-	-	SYM
eurjchem-2498	180	38	70.2498	70.2498	NUM
eurjchem-2498	180	39	table	table	NOUN
eurjchem-2498	180	40	4	4	NUM
eurjchem-2498	180	41	.	.	PUNCT
eurjchem-2498	181	1	vibrational	vibrational	ADJ
eurjchem-2498	181	2	wavenumbers	wavenumber	NOUN
eurjchem-2498	181	3	obtained	obtain	VERB
eurjchem-2498	181	4	for	for	ADP
eurjchem-2498	181	5	compound	compound	NOUN
eurjchem-2498	181	6	2	2	NUM
eurjchem-2498	181	7	with	with	ADP
eurjchem-2498	181	8	dft	dft	PROPN
eurjchem-2498	181	9	-	-	PUNCT
eurjchem-2498	181	10	b3lyp/6	b3lyp/6	NOUN
eurjchem-2498	181	11	-	-	NOUN
eurjchem-2498	181	12	311+g(d	311+g(d	PROPN
eurjchem-2498	181	13	,	,	PUNCT
eurjchem-2498	181	14	p	p	NOUN
eurjchem-2498	181	15	)	)	PUNCT
eurjchem-2498	181	16	(	(	PUNCT
eurjchem-2498	181	17	harmonic	harmonic	ADJ
eurjchem-2498	181	18	frequency	frequency	NOUN
eurjchem-2498	181	19	(	(	PUNCT
eurjchem-2498	181	20	cm-1	cm-1	PROPN
eurjchem-2498	181	21	)	)	PUNCT
eurjchem-2498	181	22	,	,	PUNCT
eurjchem-2498	181	23	ir	ir	PROPN
eurjchem-2498	181	24	intensity	intensity	NOUN
eurjchem-2498	181	25	,	,	PUNCT
eurjchem-2498	181	26	raman	raman	NOUN
eurjchem-2498	181	27	activity	activity	NOUN
eurjchem-2498	181	28	(	(	PUNCT
eurjchem-2498	181	29	km	km	NOUN
eurjchem-2498	181	30	/	/	SYM
eurjchem-2498	181	31	mol	mol	NOUN
eurjchem-2498	181	32	)	)	PUNCT
eurjchem-2498	181	33	,	,	PUNCT
eurjchem-2498	181	34	reduced	reduce	VERB
eurjchem-2498	181	35	masses	masse	NOUN
eurjchem-2498	181	36	(	(	PUNCT
eurjchem-2498	181	37	a.m.u	a.m.u	NOUN
eurjchem-2498	181	38	.	.	PUNCT
eurjchem-2498	181	39	)	)	PUNCT
eurjchem-2498	181	40	and	and	CCONJ
eurjchem-2498	181	41	force	force	NOUN
eurjchem-2498	181	42	constants	constant	NOUN
eurjchem-2498	181	43	(	(	PUNCT
eurjchem-2498	181	44	n	n	CCONJ
eurjchem-2498	181	45	/	/	SYM
eurjchem-2498	181	46	m	m	NOUN
eurjchem-2498	181	47	)	)	PUNCT
eurjchem-2498	181	48	)	)	PUNCT
eurjchem-2498	182	1	*	*	PUNCT
eurjchem-2498	182	2	.	.	PUNCT
eurjchem-2498	183	1	mode	mode	VERB
eurjchem-2498	183	2	no	no	DET
eurjchem-2498	183	3	exp	exp	NOUN
eurjchem-2498	183	4	.	.	PUNCT
eurjchem-2498	183	5	ftir	ftir	PROPN
eurjchem-2498	183	6	freq	freq	PROPN
eurjchem-2498	183	7	.	.	PUNCT
eurjchem-2498	184	1	(	(	PUNCT
eurjchem-2498	184	2	cm-1	cm-1	NOUN
eurjchem-2498	184	3	)	)	PUNCT
eurjchem-2498	184	4	calc	calc	NOUN
eurjchem-2498	184	5	.	.	PUNCT
eurjchem-2498	185	1	freq	freq	PROPN
eurjchem-2498	185	2	.	.	PUNCT
eurjchem-2498	186	1	(	(	PUNCT
eurjchem-2498	186	2	cm-1	cm-1	PROPN
eurjchem-2498	186	3	)	)	PUNCT
eurjchem-2498	186	4	ir	ir	PROPN
eurjchem-2498	186	5	intensity	intensity	NOUN
eurjchem-2498	186	6	raman	raman	NOUN
eurjchem-2498	186	7	activity	activity	NOUN
eurjchem-2498	186	8	reduced	reduce	VERB
eurjchem-2498	186	9	mass	mass	ADJ
eurjchem-2498	186	10	force	force	NOUN
eurjchem-2498	186	11	constant	constant	ADJ
eurjchem-2498	186	12	vibrational	vibrational	ADJ
eurjchem-2498	186	13	assignments	assignment	NOUN
eurjchem-2498	186	14	with	with	ADP
eurjchem-2498	186	15	>	>	SYM
eurjchem-2498	186	16	10	10	NUM
eurjchem-2498	186	17	%	%	NOUN
eurjchem-2498	186	18	ped	ped	NOUN
eurjchem-2498	186	19	1	1	NUM
eurjchem-2498	186	20	3437	3437	NUM
eurjchem-2498	186	21	41.64	41.64	NUM
eurjchem-2498	186	22	411.9	411.9	NUM
eurjchem-2498	186	23	1.08	1.08	NUM
eurjchem-2498	186	24	8.11	8.11	NUM
eurjchem-2498	187	1	νn11	νn11	PROPN
eurjchem-2498	187	2	-	-	PUNCT
eurjchem-2498	187	3	h12(100	h12(100	NOUN
eurjchem-2498	187	4	)	)	PUNCT
eurjchem-2498	187	5	2	2	NUM
eurjchem-2498	187	6	3307	3307	NUM
eurjchem-2498	187	7	3387	3387	NUM
eurjchem-2498	187	8	11.80	11.80	NUM
eurjchem-2498	187	9	1031.4	1031.4	NUM
eurjchem-2498	187	10	1.08	1.08	NUM
eurjchem-2498	187	11	7.87	7.87	NUM
eurjchem-2498	187	12	νn35	νn35	PROPN
eurjchem-2498	187	13	-	-	PUNCT
eurjchem-2498	187	14	h36(99	h36(99	NOUN
eurjchem-2498	187	15	)	)	PUNCT
eurjchem-2498	187	16	3	3	NUM
eurjchem-2498	187	17	3300	3300	NUM
eurjchem-2498	187	18	3296	3296	NUM
eurjchem-2498	187	19	509.10	509.10	NUM
eurjchem-2498	187	20	313.9	313.9	NUM
eurjchem-2498	187	21	1.07	1.07	NUM
eurjchem-2498	187	22	7.40	7.40	NUM
eurjchem-2498	187	23	νo30	νo30	PROPN
eurjchem-2498	187	24	-	-	PUNCT
eurjchem-2498	187	25	h31(99	h31(99	NOUN
eurjchem-2498	187	26	)	)	PUNCT
eurjchem-2498	187	27	4	4	NUM
eurjchem-2498	187	28	3090	3090	NUM
eurjchem-2498	187	29	3.96	3.96	NUM
eurjchem-2498	187	30	59.9	59.9	NUM
eurjchem-2498	187	31	1.09	1.09	NUM
eurjchem-2498	187	32	6.65	6.65	NUM
eurjchem-2498	187	33	νc38	νc38	PROPN
eurjchem-2498	187	34	-	-	PUNCT
eurjchem-2498	187	35	h41(94	h41(94	NOUN
eurjchem-2498	187	36	)	)	PUNCT
eurjchem-2498	187	37	5	5	NUM
eurjchem-2498	187	38	3087	3087	NUM
eurjchem-2498	187	39	8.46	8.46	NUM
eurjchem-2498	187	40	94.3	94.3	NUM
eurjchem-2498	187	41	1.09	1.09	NUM
eurjchem-2498	187	42	6.65	6.65	NUM
eurjchem-2498	187	43	νc4	νc4	NOUN
eurjchem-2498	187	44	-	-	PUNCT
eurjchem-2498	187	45	h9(66)+νc5	h9(66)+νc5	NOUN
eurjchem-2498	187	46	-	-	PUNCT
eurjchem-2498	187	47	h10(33	h10(33	NOUN
eurjchem-2498	187	48	)	)	PUNCT
eurjchem-2498	187	49	6	6	NUM
eurjchem-2498	187	50	3076	3076	NUM
eurjchem-2498	187	51	6.12	6.12	NUM
eurjchem-2498	187	52	199.5	199.5	NUM
eurjchem-2498	187	53	1.10	1.10	NUM
eurjchem-2498	187	54	6.61	6.61	NUM
eurjchem-2498	187	55	νc24	νc24	PROPN
eurjchem-2498	187	56	-	-	PUNCT
eurjchem-2498	187	57	h29(61)+νc22	h29(61)+νc22	NOUN
eurjchem-2498	187	58	-	-	PUNCT
eurjchem-2498	187	59	h25(38)+νc22	h25(38)+νc22	NOUN
eurjchem-2498	187	60	-	-	PUNCT
eurjchem-2498	187	61	h25(38	h25(38	NOUN
eurjchem-2498	187	62	)	)	PUNCT
eurjchem-2498	187	63	7	7	NUM
eurjchem-2498	187	64	3073	3073	NUM
eurjchem-2498	187	65	6.01	6.01	NUM
eurjchem-2498	187	66	97.7	97.7	NUM
eurjchem-2498	187	67	1.09	1.09	NUM
eurjchem-2498	187	68	6.56	6.56	NUM
eurjchem-2498	187	69	νc4	νc4	NOUN
eurjchem-2498	187	70	-	-	PUNCT
eurjchem-2498	187	71	h9(32)+νc5	h9(32)+νc5	NOUN
eurjchem-2498	187	72	-	-	PUNCT
eurjchem-2498	187	73	h10(63)+νc5	h10(63)+νc5	NOUN
eurjchem-2498	187	74	-	-	NOUN
eurjchem-2498	187	75	h10(63	h10(63	NOUN
eurjchem-2498	187	76	)	)	PUNCT
eurjchem-2498	187	77	8	8	NUM
eurjchem-2498	187	78	3070	3070	NUM
eurjchem-2498	187	79	24.87	24.87	NUM
eurjchem-2498	187	80	348.3	348.3	NUM
eurjchem-2498	187	81	1.10	1.10	NUM
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eurjchem-2498	187	83	νc40	νc40	PROPN
eurjchem-2498	187	84	-	-	PUNCT
eurjchem-2498	187	85	h45(11)+νc42	h45(11)+νc42	PROPN
eurjchem-2498	187	86	-	-	PUNCT
eurjchem-2498	187	87	h46(19)+νc44	h46(19)+νc44	PRON
eurjchem-2498	187	88	-	-	PUNCT
eurjchem-2498	187	89	h47(67)+νc42	h47(67)+νc42	NOUN
eurjchem-2498	187	90	-	-	PUNCT
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eurjchem-2498	190	29	νc42	νc42	PROPN
eurjchem-2498	190	30	-	-	PUNCT
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eurjchem-2498	190	38	1.1	1.1	NUM
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eurjchem-2498	190	41	βh17	βh17	PROPN
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eurjchem-2498	190	43	c15	c15	NOUN
eurjchem-2498	190	44	-	-	PUNCT
eurjchem-2498	190	45	h16(10)+βh18	h16(10)+βh18	NOUN
eurjchem-2498	190	46	-	-	PUNCT
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eurjchem-2498	190	49	h17(12)+τh17	h17(12)+τh17	NOUN
eurjchem-2498	190	50	-	-	PUNCT
eurjchem-2498	190	51	c15	c15	NOUN
eurjchem-2498	190	52	-	-	PUNCT
eurjchem-2498	190	53	c13	c13	NOUN
eurjchem-2498	190	54	-	-	PUNCT
eurjchem-2498	190	55	n11(30)+	n11(30)+	ADJ
eurjchem-2498	190	56	τh18	τh18	PROPN
eurjchem-2498	190	57	-	-	PUNCT
eurjchem-2498	190	58	c15	c15	NOUN
eurjchem-2498	190	59	-	-	PUNCT
eurjchem-2498	190	60	c13	c13	NOUN
eurjchem-2498	190	61	-	-	PUNCT
eurjchem-2498	190	62	n11(12	n11(12	ADJ
eurjchem-2498	190	63	)	)	PUNCT
eurjchem-2498	190	64	62	62	NUM
eurjchem-2498	190	65	981	981	NUM
eurjchem-2498	190	66	1.42	1.42	NUM
eurjchem-2498	190	67	46.6	46.6	NUM
eurjchem-2498	190	68	2.50	2.50	NUM
eurjchem-2498	190	69	1.55	1.55	NUM
eurjchem-2498	190	70	βc1	βc1	NOUN
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eurjchem-2498	190	72	c2	c2	PROPN
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eurjchem-2498	190	75	-	-	PUNCT
eurjchem-2498	190	76	c4	c4	NOUN
eurjchem-2498	190	77	-	-	PUNCT
eurjchem-2498	190	78	c3(36)+βh8	c3(36)+βh8	NOUN
eurjchem-2498	190	79	-	-	PUNCT
eurjchem-2498	190	80	c2	c2	NOUN
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eurjchem-2498	190	82	c3(10	c3(10	NOUN
eurjchem-2498	190	83	)	)	PUNCT
eurjchem-2498	190	84	63	63	NUM
eurjchem-2498	190	85	965	965	NUM
eurjchem-2498	190	86	966	966	NUM
eurjchem-2498	190	87	6.44	6.44	NUM
eurjchem-2498	190	88	260.7	260.7	NUM
eurjchem-2498	190	89	5.74	5.74	NUM
eurjchem-2498	190	90	3.44	3.44	NUM
eurjchem-2498	190	91	βc38	βc38	PROPN
eurjchem-2498	190	92	-	-	PUNCT
eurjchem-2498	190	93	c40	c40	NOUN
eurjchem-2498	190	94	-	-	PUNCT
eurjchem-2498	190	95	c44(19)+βc42	c44(19)+βc42	NOUN
eurjchem-2498	190	96	-	-	PUNCT
eurjchem-2498	190	97	c44	c44	NOUN
eurjchem-2498	190	98	-	-	PUNCT
eurjchem-2498	190	99	c40(20)+βc39	c40(20)+βc39	NOUN
eurjchem-2498	190	100	-	-	PUNCT
eurjchem-2498	190	101	c42	c42	NOUN
eurjchem-2498	190	102	-	-	PUNCT
eurjchem-2498	190	103	c44(34	c44(34	NOUN
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eurjchem-2498	190	105	64	64	NUM
eurjchem-2498	190	106	956	956	NUM
eurjchem-2498	190	107	7.53	7.53	NUM
eurjchem-2498	190	108	32.1	32.1	NUM
eurjchem-2498	190	109	3.20	3.20	NUM
eurjchem-2498	190	110	1.88	1.88	NUM
eurjchem-2498	190	111	νc21	νc21	PROPN
eurjchem-2498	190	112	-	-	PUNCT
eurjchem-2498	190	113	c23(21	c23(21	NOUN
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eurjchem-2498	190	115	65	65	NUM
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eurjchem-2498	190	117	0.30	0.30	NUM
eurjchem-2498	190	118	3.6	3.6	NUM
eurjchem-2498	190	119	1.33	1.33	NUM
eurjchem-2498	190	120	0.77	0.77	NUM
eurjchem-2498	190	121	τh9	τh9	NOUN
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eurjchem-2498	190	123	c4	c4	NOUN
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eurjchem-2498	190	125	c3	c3	NOUN
eurjchem-2498	190	126	-	-	PUNCT
eurjchem-2498	190	127	c2(46)+τh10	c2(46)+τh10	PROPN
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eurjchem-2498	190	129	c5	c5	PROPN
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eurjchem-2498	190	131	c6	c6	PROPN
eurjchem-2498	190	132	-	-	PUNCT
eurjchem-2498	190	133	n11(28	n11(28	PROPN
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eurjchem-2498	190	136	950	950	NUM
eurjchem-2498	190	137	0.13	0.13	NUM
eurjchem-2498	190	138	1.5	1.5	NUM
eurjchem-2498	190	139	1.28	1.28	NUM
eurjchem-2498	190	140	0.74	0.74	NUM
eurjchem-2498	190	141	τh45	τh45	PROPN
eurjchem-2498	190	142	-	-	PUNCT
eurjchem-2498	190	143	c40	c40	NOUN
eurjchem-2498	190	144	-	-	PUNCT
eurjchem-2498	190	145	c44	c44	NOUN
eurjchem-2498	190	146	-	-	PUNCT
eurjchem-2498	190	147	c42(30)+τh46	c42(30)+τh46	NUM
eurjchem-2498	190	148	-	-	PUNCT
eurjchem-2498	190	149	c42	c42	NOUN
eurjchem-2498	190	150	-	-	PUNCT
eurjchem-2498	190	151	c44	c44	NOUN
eurjchem-2498	190	152	-	-	PUNCT
eurjchem-2498	190	153	c40(13)+τh47	c40(13)+τh47	NUM
eurjchem-2498	190	154	-	-	PUNCT
eurjchem-2498	190	155	c44	c44	ADJ
eurjchem-2498	190	156	-	-	PUNCT
eurjchem-2498	190	157	c42	c42	NOUN
eurjchem-2498	190	158	-	-	PUNCT
eurjchem-2498	190	159	c39(29	c39(29	NOUN
eurjchem-2498	190	160	)	)	PUNCT
eurjchem-2498	190	161	67	67	NUM
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eurjchem-2498	190	163	0.11	0.11	NUM
eurjchem-2498	190	164	0.1	0.1	NUM
eurjchem-2498	190	165	1.33	1.33	NUM
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eurjchem-2498	190	167	τh29	τh29	PROPN
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eurjchem-2498	190	173	c26(29)+τh25	c26(29)+τh25	NOUN
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eurjchem-2498	190	175	c22	c22	NOUN
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eurjchem-2498	190	177	c24	c24	NOUN
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eurjchem-2498	190	179	c28(42)+τc28	c28(42)+τc28	NOUN
eurjchem-2498	190	180	-	-	PUNCT
eurjchem-2498	190	181	c24	c24	NOUN
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eurjchem-2498	190	183	c22	c22	NOUN
eurjchem-2498	190	184	-	-	PUNCT
eurjchem-2498	190	185	c21(16	c21(16	NOUN
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eurjchem-2498	190	190	1.2	1.2	NUM
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eurjchem-2498	190	193	τh7	τh7	NOUN
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eurjchem-2498	190	201	c2	c2	PROPN
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eurjchem-2498	190	203	c3	c3	PROPN
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eurjchem-2498	190	205	c4(45	c4(45	NOUN
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eurjchem-2498	190	214	τh45	τh45	PROPN
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eurjchem-2498	190	218	c44	c44	NOUN
eurjchem-2498	190	219	-	-	PUNCT
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eurjchem-2498	190	222	c42	c42	VERB
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eurjchem-2498	190	224	c44	c44	NOUN
eurjchem-2498	190	225	-	-	PUNCT
eurjchem-2498	190	226	c40(44)+	c40(44)+	NOUN
eurjchem-2498	190	227	τh43	τh43	PROPN
eurjchem-2498	190	228	-	-	PUNCT
eurjchem-2498	190	229	c39	c39	NOUN
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eurjchem-2498	190	231	c42	c42	VERB
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eurjchem-2498	190	237	c40	c40	NOUN
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eurjchem-2498	190	239	c44(10	c44(10	NOUN
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eurjchem-2498	190	296	(	(	PUNCT
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eurjchem-2498	190	299	(	(	PUNCT
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eurjchem-2498	190	303	-	-	SYM
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eurjchem-2498	190	306	–	–	PUNCT
eurjchem-2498	190	307	european	european	ADJ
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eurjchem-2498	190	311	–	–	PUNCT
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eurjchem-2498	190	315	–	–	PUNCT
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eurjchem-2498	190	326	(	(	PUNCT
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eurjchem-2498	191	7	.	.	PUNCT
eurjchem-2498	192	1	(	(	PUNCT
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eurjchem-2498	192	3	)	)	PUNCT
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eurjchem-2498	192	5	.	.	PUNCT
eurjchem-2498	193	1	freq	freq	PROPN
eurjchem-2498	193	2	.	.	PUNCT
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eurjchem-2498	194	2	cm-1	cm-1	PROPN
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eurjchem-2498	194	17	%	%	NOUN
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eurjchem-2498	194	26	-	-	PUNCT
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eurjchem-2498	194	30	-	-	PUNCT
eurjchem-2498	194	31	c28(42)+τh33	c28(42)+τh33	NOUN
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eurjchem-2498	198	405	5.04	5.04	NUM
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eurjchem-2498	199	21	τn19	τn19	PROPN
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eurjchem-2498	199	75	n11(36)+	n11(36)+	NOUN
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eurjchem-2498	199	280	c38(61	c38(61	NOUN
eurjchem-2498	199	281	)	)	PUNCT
eurjchem-2498	199	282	129	129	NUM
eurjchem-2498	199	283	16	16	NUM
eurjchem-2498	199	284	0.09	0.09	NUM
eurjchem-2498	199	285	0.9	0.9	NUM
eurjchem-2498	199	286	4.02	4.02	NUM
eurjchem-2498	199	287	0.00	0.00	NUM
eurjchem-2498	199	288	τn19	τn19	NOUN
eurjchem-2498	199	289	-	-	PUNCT
eurjchem-2498	199	290	n20	n20	NOUN
eurjchem-2498	199	291	-	-	PUNCT
eurjchem-2498	199	292	c21	c21	NOUN
eurjchem-2498	199	293	-	-	PUNCT
eurjchem-2498	199	294	c23(23)+τc3	c23(23)+τc3	NOUN
eurjchem-2498	199	295	-	-	PUNCT
eurjchem-2498	199	296	n19	n19	ADJ
eurjchem-2498	199	297	-	-	PUNCT
eurjchem-2498	199	298	n20	n20	NOUN
eurjchem-2498	199	299	-	-	PUNCT
eurjchem-2498	199	300	c21(10)+τc2	c21(10)+τc2	NOUN
eurjchem-2498	199	301	-	-	PUNCT
eurjchem-2498	199	302	c3	c3	ADJ
eurjchem-2498	199	303	-	-	PUNCT
eurjchem-2498	199	304	n19	n19	NOUN
eurjchem-2498	199	305	-	-	PUNCT
eurjchem-2498	199	306	n20(19	n20(19	NOUN
eurjchem-2498	199	307	)	)	PUNCT
eurjchem-2498	199	308	130	130	NUM
eurjchem-2498	199	309	11	11	NUM
eurjchem-2498	199	310	0.11	0.11	NUM
eurjchem-2498	199	311	3.5	3.5	NUM
eurjchem-2498	199	312	4.85	4.85	NUM
eurjchem-2498	199	313	0.00	0.00	NUM
eurjchem-2498	199	314	τc32	τc32	PROPN
eurjchem-2498	199	315	-	-	PUNCT
eurjchem-2498	199	316	n34	n34	NOUN
eurjchem-2498	199	317	-	-	PUNCT
eurjchem-2498	199	318	n35	n35	NUM
eurjchem-2498	199	319	-	-	PUNCT
eurjchem-2498	199	320	c37(60)+τc23	c37(60)+τc23	NOUN
eurjchem-2498	199	321	-	-	PUNCT
eurjchem-2498	199	322	c26	c26	NOUN
eurjchem-2498	199	323	-	-	PUNCT
eurjchem-2498	199	324	c32	c32	NOUN
eurjchem-2498	199	325	-	-	PUNCT
eurjchem-2498	199	326	n34(19	n34(19	ADJ
eurjchem-2498	199	327	)	)	PUNCT
eurjchem-2498	199	328	*	*	PUNCT
eurjchem-2498	200	1	ν	ν	X
eurjchem-2498	200	2	:	:	PUNCT
eurjchem-2498	200	3	stretching	stretching	NOUN
eurjchem-2498	200	4	,	,	PUNCT
eurjchem-2498	200	5	β	β	NOUN
eurjchem-2498	200	6	:	:	PUNCT
eurjchem-2498	200	7	in	in	ADP
eurjchem-2498	200	8	-	-	PUNCT
eurjchem-2498	200	9	plane	plane	NOUN
eurjchem-2498	200	10	bending	bending	NOUN
eurjchem-2498	200	11	,	,	PUNCT
eurjchem-2498	200	12	γ	γ	X
eurjchem-2498	200	13	:	:	PUNCT
eurjchem-2498	200	14	out	out	ADJ
eurjchem-2498	200	15	-	-	PUNCT
eurjchem-2498	200	16	of	of	ADP
eurjchem-2498	200	17	-	-	PUNCT
eurjchem-2498	200	18	plane	plane	NOUN
eurjchem-2498	200	19	bending	bending	NOUN
eurjchem-2498	200	20	,	,	PUNCT
eurjchem-2498	200	21	ω	ω	NOUN
eurjchem-2498	200	22	:	:	PUNCT
eurjchem-2498	200	23	wagging	wagging	NOUN
eurjchem-2498	200	24	,	,	PUNCT
eurjchem-2498	200	25	t	t	NOUN
eurjchem-2498	200	26	:	:	PUNCT
eurjchem-2498	200	27	twisting	twisting	NOUN
eurjchem-2498	200	28	,	,	PUNCT
eurjchem-2498	200	29	δ	δ	NOUN
eurjchem-2498	200	30	:	:	PUNCT
eurjchem-2498	200	31	scissoring	scissoring	NOUN
eurjchem-2498	200	32	,	,	PUNCT
eurjchem-2498	200	33	ρ	ρ	PROPN
eurjchem-2498	200	34	:	:	PUNCT
eurjchem-2498	200	35	rocking	rock	VERB
eurjchem-2498	200	36	.	.	PUNCT
eurjchem-2498	201	1	3.4	3.4	NUM
eurjchem-2498	201	2	.	.	PUNCT
eurjchem-2498	202	1	solvent	solvent	ADJ
eurjchem-2498	202	2	effect	effect	NOUN
eurjchem-2498	202	3	the	the	DET
eurjchem-2498	202	4	molecular	molecular	ADJ
eurjchem-2498	202	5	geometrics	geometric	NOUN
eurjchem-2498	202	6	are	be	AUX
eurjchem-2498	202	7	obtained	obtain	VERB
eurjchem-2498	202	8	via	via	ADP
eurjchem-2498	202	9	dft/6311+g(d	dft/6311+g(d	PROPN
eurjchem-2498	202	10	,	,	PUNCT
eurjchem-2498	202	11	p	p	NOUN
eurjchem-2498	202	12	)	)	PUNCT
eurjchem-2498	202	13	level	level	NOUN
eurjchem-2498	202	14	optimization	optimization	NOUN
eurjchem-2498	202	15	in	in	ADP
eurjchem-2498	202	16	the	the	DET
eurjchem-2498	202	17	gas	gas	NOUN
eurjchem-2498	202	18	phase	phase	NOUN
eurjchem-2498	202	19	and	and	CCONJ
eurjchem-2498	202	20	then	then	ADV
eurjchem-2498	202	21	in	in	ADP
eurjchem-2498	202	22	9	9	NUM
eurjchem-2498	202	23	solvents	solvent	NOUN
eurjchem-2498	202	24	(	(	PUNCT
eurjchem-2498	202	25	keyword	keyword	NOUN
eurjchem-2498	202	26	,	,	PUNCT
eurjchem-2498	202	27	scrf	scrf	NOUN
eurjchem-2498	202	28	=	=	NOUN
eurjchem-2498	202	29	dipole	dipole	NOUN
eurjchem-2498	202	30	)	)	PUNCT
eurjchem-2498	202	31	the	the	DET
eurjchem-2498	202	32	calculated	calculate	VERB
eurjchem-2498	202	33	parameters	parameter	NOUN
eurjchem-2498	202	34	like	like	ADP
eurjchem-2498	202	35	moment	moment	NOUN
eurjchem-2498	202	36	,	,	PUNCT
eurjchem-2498	202	37	energy	energy	NOUN
eurjchem-2498	202	38	,	,	PUNCT
eurjchem-2498	202	39	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2498	202	40	,	,	PUNCT
eurjchem-2498	202	41	polarizability	polarizability	NOUN
eurjchem-2498	202	42	of	of	ADP
eurjchem-2498	202	43	compounds	compound	NOUN
eurjchem-2498	202	44	1	1	NUM
eurjchem-2498	202	45	and	and	CCONJ
eurjchem-2498	202	46	2	2	NUM
eurjchem-2498	202	47	in	in	ADP
eurjchem-2498	202	48	different	different	ADJ
eurjchem-2498	202	49	solvents	solvent	NOUN
eurjchem-2498	202	50	.	.	PUNCT
eurjchem-2498	203	1	regular	regular	ADJ
eurjchem-2498	203	2	variations	variation	NOUN
eurjchem-2498	203	3	in	in	ADP
eurjchem-2498	203	4	energy	energy	NOUN
eurjchem-2498	203	5	versus	versus	ADP
eurjchem-2498	203	6	dielectric	dielectric	ADJ
eurjchem-2498	203	7	constant	constant	ADJ
eurjchem-2498	203	8	were	be	AUX
eurjchem-2498	203	9	observed	observe	VERB
eurjchem-2498	203	10	.	.	PUNCT
eurjchem-2498	204	1	with	with	ADP
eurjchem-2498	204	2	increasing	increase	VERB
eurjchem-2498	204	3	dielectric	dielectric	ADJ
eurjchem-2498	204	4	constant	constant	ADJ
eurjchem-2498	204	5	of	of	ADP
eurjchem-2498	204	6	solvent	solvent	NOUN
eurjchem-2498	204	7	,	,	PUNCT
eurjchem-2498	204	8	the	the	DET
eurjchem-2498	204	9	stability	stability	NOUN
eurjchem-2498	204	10	of	of	ADP
eurjchem-2498	204	11	compounds	compound	NOUN
eurjchem-2498	204	12	1	1	NUM
eurjchem-2498	204	13	and	and	CCONJ
eurjchem-2498	204	14	2	2	NUM
eurjchem-2498	204	15	increases	increase	NOUN
eurjchem-2498	204	16	.	.	PUNCT
eurjchem-2498	205	1	as	as	ADP
eurjchem-2498	205	2	the	the	DET
eurjchem-2498	205	3	dielectric	dielectric	ADJ
eurjchem-2498	205	4	constant	constant	ADJ
eurjchem-2498	205	5	increases	increase	NOUN
eurjchem-2498	205	6	,	,	PUNCT
eurjchem-2498	205	7	the	the	DET
eurjchem-2498	205	8	dipole	dipole	NOUN
eurjchem-2498	205	9	moment	moment	NOUN
eurjchem-2498	205	10	,	,	PUNCT
eurjchem-2498	205	11	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2498	205	12	,	,	PUNCT
eurjchem-2498	205	13	and	and	CCONJ
eurjchem-2498	205	14	polarizability	polarizability	NOUN
eurjchem-2498	205	15	show	show	VERB
eurjchem-2498	205	16	a	a	DET
eurjchem-2498	205	17	regular	regular	ADJ
eurjchem-2498	205	18	increase	increase	NOUN
eurjchem-2498	205	19	,	,	PUNCT
eurjchem-2498	205	20	which	which	PRON
eurjchem-2498	205	21	is	be	AUX
eurjchem-2498	205	22	evident	evident	ADJ
eurjchem-2498	205	23	in	in	ADP
eurjchem-2498	205	24	the	the	DET
eurjchem-2498	205	25	increased	increase	VERB
eurjchem-2498	205	26	reactivity	reactivity	NOUN
eurjchem-2498	205	27	of	of	ADP
eurjchem-2498	205	28	the	the	DET
eurjchem-2498	205	29	molecules	molecule	NOUN
eurjchem-2498	205	30	.	.	PUNCT
eurjchem-2498	206	1	siluvairaj	siluvairaj	VERB
eurjchem-2498	206	2	et	et	PROPN
eurjchem-2498	206	3	al	al	PROPN
eurjchem-2498	206	4	.	.	PUNCT
eurjchem-2498	206	5	/	/	SYM
eurjchem-2498	206	6	european	european	PROPN
eurjchem-2498	206	7	journal	journal	PROPN
eurjchem-2498	206	8	of	of	ADP
eurjchem-2498	206	9	chemistry	chemistry	NOUN
eurjchem-2498	206	10	15	15	NUM
eurjchem-2498	206	11	(	(	PUNCT
eurjchem-2498	206	12	1	1	NUM
eurjchem-2498	206	13	)	)	PUNCT
eurjchem-2498	206	14	(	(	PUNCT
eurjchem-2498	206	15	2024	2024	NUM
eurjchem-2498	206	16	)	)	PUNCT
eurjchem-2498	206	17	50	50	NUM
eurjchem-2498	206	18	-	-	SYM
eurjchem-2498	206	19	70	70	NUM
eurjchem-2498	206	20	59	59	NUM
eurjchem-2498	206	21	2024	2024	NUM
eurjchem-2498	206	22	–	–	PUNCT
eurjchem-2498	206	23	european	european	ADJ
eurjchem-2498	206	24	journal	journal	NOUN
eurjchem-2498	206	25	of	of	ADP
eurjchem-2498	206	26	chemistry	chemistry	NOUN
eurjchem-2498	206	27	–	–	PUNCT
eurjchem-2498	206	28	cc	cc	NOUN
eurjchem-2498	206	29	by	by	ADP
eurjchem-2498	206	30	nc	nc	PROPN
eurjchem-2498	206	31	–	–	PUNCT
eurjchem-2498	206	32	doi	doi	NOUN
eurjchem-2498	206	33	:	:	PUNCT
eurjchem-2498	206	34	10.5155	10.5155	NUM
eurjchem-2498	206	35	/	/	SYM
eurjchem-2498	206	36	eurjchem.15.1.50	eurjchem.15.1.50	ADJ
eurjchem-2498	206	37	-	-	SYM
eurjchem-2498	206	38	70.2498	70.2498	NUM
eurjchem-2498	206	39	table	table	NOUN
eurjchem-2498	206	40	5	5	NUM
eurjchem-2498	206	41	.	.	PUNCT
eurjchem-2498	206	42	calculated	calculate	VERB
eurjchem-2498	206	43	maximum	maximum	ADJ
eurjchem-2498	206	44	absorption	absorption	NOUN
eurjchem-2498	206	45	wavelength	wavelength	NOUN
eurjchem-2498	206	46	for	for	ADP
eurjchem-2498	206	47	compound	compound	NOUN
eurjchem-2498	206	48	1	1	NUM
eurjchem-2498	206	49	.	.	PUNCT
eurjchem-2498	207	1	solvent	solvent	NOUN
eurjchem-2498	207	2	δe	δe	ADP
eurjchem-2498	207	3	(	(	PUNCT
eurjchem-2498	207	4	ev	ev	INTJ
eurjchem-2498	207	5	)	)	PUNCT
eurjchem-2498	207	6	f	f	PROPN
eurjchem-2498	207	7	(	(	PUNCT
eurjchem-2498	207	8	a.u	a.u	PROPN
eurjchem-2498	207	9	.	.	PROPN
eurjchem-2498	207	10	)	)	PUNCT
eurjchem-2498	207	11	λmax	λmax	NOUN
eurjchem-2498	207	12	(	(	PUNCT
eurjchem-2498	207	13	nm	nm	NOUN
eurjchem-2498	207	14	)	)	PUNCT
eurjchem-2498	207	15	mo	mo	PROPN
eurjchem-2498	207	16	contributions	contribution	NOUN
eurjchem-2498	207	17	gas	gas	NOUN
eurjchem-2498	207	18	phase	phase	NOUN
eurjchem-2498	207	19	3.2936	3.2936	NUM
eurjchem-2498	207	20	3.6275	3.6275	NUM
eurjchem-2498	207	21	0.0223	0.0223	NUM
eurjchem-2498	207	22	0.3020	0.3020	NUM
eurjchem-2498	207	23	376.4	376.4	NUM
eurjchem-2498	207	24	341.8	341.8	NUM
eurjchem-2498	207	25	h-3→l(25	h-3→l(25	NOUN
eurjchem-2498	207	26	)	)	PUNCT
eurjchem-2498	207	27	h-2→l(41	h-2→l(41	PROPN
eurjchem-2498	207	28	)	)	PUNCT
eurjchem-2498	207	29	h→l(30	h→l(30	PROPN
eurjchem-2498	207	30	)	)	PUNCT
eurjchem-2498	207	31	h-1→l(2.9	h-1→l(2.9	NOUN
eurjchem-2498	207	32	)	)	PUNCT
eurjchem-2498	207	33	h→l+1(92	h→l+1(92	NOUN
eurjchem-2498	207	34	)	)	PUNCT
eurjchem-2498	207	35	benzene	benzene	NOUN
eurjchem-2498	207	36	3.291	3.291	NUM
eurjchem-2498	207	37	0.044	0.044	NUM
eurjchem-2498	207	38	376.8	376.8	NUM
eurjchem-2498	207	39	h-3→l(20	h-3→l(20	NOUN
eurjchem-2498	207	40	)	)	PUNCT
eurjchem-2498	207	41	h-2→l(40	h-2→l(40	NOUN
eurjchem-2498	207	42	)	)	PUNCT
eurjchem-2498	207	43	h→l(36	h→l(36	PROPN
eurjchem-2498	207	44	)	)	PUNCT
eurjchem-2498	207	45	3.620	3.620	NUM
eurjchem-2498	207	46	0.795	0.795	NUM
eurjchem-2498	207	47	342.6	342.6	NUM
eurjchem-2498	207	48	h-1→l(53	h-1→l(53	NOUN
eurjchem-2498	207	49	)	)	PUNCT
eurjchem-2498	207	50	h→l+1(41	h→l+1(41	PROPN
eurjchem-2498	207	51	)	)	PUNCT
eurjchem-2498	207	52	dcm	dcm	PROPN
eurjchem-2498	207	53	3.281	3.281	NUM
eurjchem-2498	207	54	0.050	0.050	NUM
eurjchem-2498	207	55	377.9	377.9	NUM
eurjchem-2498	207	56	h-3→l(17	h-3→l(17	PROPN
eurjchem-2498	207	57	)	)	PUNCT
eurjchem-2498	207	58	h-2→l(38	h-2→l(38	PROPN
eurjchem-2498	207	59	)	)	PUNCT
eurjchem-2498	207	60	h→l(41	h→l(41	PROPN
eurjchem-2498	207	61	)	)	PUNCT
eurjchem-2498	207	62	3.574	3.574	NUM
eurjchem-2498	207	63	0.814	0.814	NUM
eurjchem-2498	207	64	346.9	346.9	NUM
eurjchem-2498	207	65	h-1→l(88	h-1→l(88	NOUN
eurjchem-2498	207	66	)	)	PUNCT
eurjchem-2498	207	67	h→l+1(7	h→l+1(7	PROPN
eurjchem-2498	207	68	)	)	PUNCT
eurjchem-2498	207	69	acetone	acetone	NOUN
eurjchem-2498	208	1	3.265	3.265	NUM
eurjchem-2498	208	2	0.097	0.097	NUM
eurjchem-2498	208	3	379.8	379.8	NUM
eurjchem-2498	208	4	h-3→l(3	h-3→l(3	PROPN
eurjchem-2498	208	5	)	)	PUNCT
eurjchem-2498	208	6	h-1→l(87	h-1→l(87	NOUN
eurjchem-2498	208	7	)	)	PUNCT
eurjchem-2498	208	8	h→l(4	h→l(4	PROPN
eurjchem-2498	208	9	)	)	PUNCT
eurjchem-2498	208	10	h→l+1(2	h→l+1(2	PUNCT
eurjchem-2498	208	11	)	)	PUNCT
eurjchem-2498	208	12	3.435	3.435	NUM
eurjchem-2498	208	13	0.864	0.864	NUM
eurjchem-2498	208	14	360.9	360.9	NUM
eurjchem-2498	208	15	h-1→l(3	h-1→l(3	PROPN
eurjchem-2498	208	16	)	)	PUNCT
eurjchem-2498	208	17	h→l+1(95	h→l+1(95	NOUN
eurjchem-2498	208	18	)	)	PUNCT
eurjchem-2498	208	19	ethanol	ethanol	VERB
eurjchem-2498	208	20	3.276	3.276	NUM
eurjchem-2498	208	21	0.050	0.050	NUM
eurjchem-2498	208	22	378.5	378.5	NUM
eurjchem-2498	208	23	h-3→l(16	h-3→l(16	NOUN
eurjchem-2498	208	24	)	)	PUNCT
eurjchem-2498	208	25	h-2→l(38	h-2→l(38	PROPN
eurjchem-2498	208	26	)	)	PUNCT
eurjchem-2498	208	27	h→l(43	h→l(43	PROPN
eurjchem-2498	208	28	)	)	PUNCT
eurjchem-2498	208	29	3.563	3.563	NUM
eurjchem-2498	208	30	0.792	0.792	NUM
eurjchem-2498	208	31	348.0	348.0	NUM
eurjchem-2498	208	32	h-1→l(89	h-1→l(89	PROPN
eurjchem-2498	208	33	)	)	PUNCT
eurjchem-2498	208	34	h→l+1(5	h→l+1(5	PROPN
eurjchem-2498	208	35	)	)	PUNCT
eurjchem-2498	208	36	methanol	methanol	NOUN
eurjchem-2498	208	37	3.276	3.276	NUM
eurjchem-2498	208	38	0.049	0.049	NUM
eurjchem-2498	208	39	378.5	378.5	NUM
eurjchem-2498	208	40	h-3→l(16	h-3→l(16	PROPN
eurjchem-2498	208	41	)	)	PUNCT
eurjchem-2498	208	42	h-2→l(37	h-2→l(37	PROPN
eurjchem-2498	208	43	)	)	PUNCT
eurjchem-2498	208	44	h→l(43	h→l(43	PROPN
eurjchem-2498	208	45	)	)	PUNCT
eurjchem-2498	208	46	3.565	3.565	NUM
eurjchem-2498	208	47	0.785	0.785	NUM
eurjchem-2498	208	48	347.8	347.8	NUM
eurjchem-2498	208	49	h-1→l(89)h→l+1(5	h-1→l(89)h→l+1(5	PROPN
eurjchem-2498	208	50	)	)	PUNCT
eurjchem-2498	209	1	acetonitrile	acetonitrile	NOUN
eurjchem-2498	209	2	3.275	3.275	NUM
eurjchem-2498	209	3	0.050	0.050	NUM
eurjchem-2498	209	4	378.6	378.6	NUM
eurjchem-2498	209	5	h-3→l(16	h-3→l(16	NOUN
eurjchem-2498	209	6	)	)	PUNCT
eurjchem-2498	209	7	h-2→l(37	h-2→l(37	PROPN
eurjchem-2498	209	8	)	)	PUNCT
eurjchem-2498	209	9	h→l(43	h→l(43	PROPN
eurjchem-2498	209	10	)	)	PUNCT
eurjchem-2498	209	11	3.562	3.562	NUM
eurjchem-2498	209	12	0.787	0.787	NUM
eurjchem-2498	209	13	348.1	348.1	NUM
eurjchem-2498	209	14	h-1→l(89)h→l+1(5	h-1→l(89)h→l+1(5	PROPN
eurjchem-2498	209	15	)	)	PUNCT
eurjchem-2498	209	16	dmso	dmso	VERB
eurjchem-2498	209	17	3.274	3.274	NUM
eurjchem-2498	209	18	0.050	0.050	NUM
eurjchem-2498	209	19	378.7	378.7	NUM
eurjchem-2498	209	20	h-3→l(16	h-3→l(16	NOUN
eurjchem-2498	209	21	)	)	PUNCT
eurjchem-2498	209	22	h-2→l(37	h-2→l(37	PROPN
eurjchem-2498	209	23	)	)	PUNCT
eurjchem-2498	209	24	h→l(43	h→l(43	PROPN
eurjchem-2498	209	25	)	)	PUNCT
eurjchem-2498	209	26	3.548	3.548	NUM
eurjchem-2498	209	27	0.795	0.795	NUM
eurjchem-2498	209	28	349.4	349.4	NUM
eurjchem-2498	209	29	h-1→l(90	h-1→l(90	NOUN
eurjchem-2498	209	30	)	)	PUNCT
eurjchem-2498	209	31	h→l+1(5	h→l+1(5	PROPN
eurjchem-2498	209	32	)	)	PUNCT
eurjchem-2498	209	33	water	water	NOUN
eurjchem-2498	209	34	3.274	3.274	NUM
eurjchem-2498	209	35	0.045	0.045	NUM
eurjchem-2498	209	36	378.7	378.7	NUM
eurjchem-2498	209	37	h-3→l(16	h-3→l(16	NOUN
eurjchem-2498	209	38	)	)	PUNCT
eurjchem-2498	209	39	h-2→l(37	h-2→l(37	PROPN
eurjchem-2498	209	40	)	)	PUNCT
eurjchem-2498	209	41	h→	h→	NOUN
eurjchem-2498	209	42	(	(	PUNCT
eurjchem-2498	209	43	43	43	NUM
eurjchem-2498	209	44	)	)	PUNCT
eurjchem-2498	209	45	3.559	3.559	NUM
eurjchem-2498	209	46	0.782	0.782	NUM
eurjchem-2498	209	47	348.4	348.4	NUM
eurjchem-2498	209	48	h-1→l(90	h-1→l(90	NOUN
eurjchem-2498	209	49	)	)	PUNCT
eurjchem-2498	209	50	table	table	NOUN
eurjchem-2498	209	51	6	6	NUM
eurjchem-2498	209	52	.	.	PUNCT
eurjchem-2498	210	1	calculated	calculate	VERB
eurjchem-2498	210	2	maximum	maximum	ADJ
eurjchem-2498	210	3	absorption	absorption	NOUN
eurjchem-2498	210	4	wavelength	wavelength	NOUN
eurjchem-2498	210	5	for	for	ADP
eurjchem-2498	210	6	compound	compound	NOUN
eurjchem-2498	210	7	2	2	NUM
eurjchem-2498	210	8	.	.	PUNCT
eurjchem-2498	211	1	solvent	solvent	NOUN
eurjchem-2498	211	2	δe	δe	ADP
eurjchem-2498	211	3	(	(	PUNCT
eurjchem-2498	211	4	ev	ev	INTJ
eurjchem-2498	211	5	)	)	PUNCT
eurjchem-2498	211	6	f	f	PROPN
eurjchem-2498	211	7	(	(	PUNCT
eurjchem-2498	211	8	a.u	a.u	PROPN
eurjchem-2498	211	9	)	)	PUNCT
eurjchem-2498	211	10	λmax	λmax	NOUN
eurjchem-2498	211	11	(	(	PUNCT
eurjchem-2498	211	12	nm	nm	NOUN
eurjchem-2498	211	13	)	)	PUNCT
eurjchem-2498	211	14	mo	mo	PROPN
eurjchem-2498	211	15	contributions	contribution	NOUN
eurjchem-2498	211	16	λmax	λmax	NOUN
eurjchem-2498	211	17	(	(	PUNCT
eurjchem-2498	211	18	nm	nm	NOUN
eurjchem-2498	211	19	)	)	PUNCT
eurjchem-2498	211	20	exp	exp	NOUN
eurjchem-2498	211	21	.	.	PUNCT
eurjchem-2498	211	22	gas	gas	NOUN
eurjchem-2498	211	23	phase	phase	NOUN
eurjchem-2498	211	24	2.811	2.811	NUM
eurjchem-2498	211	25	3.241	3.241	NUM
eurjchem-2498	211	26	0.352	0.352	NUM
eurjchem-2498	211	27	1.186	1.186	NUM
eurjchem-2498	211	28	440.9	440.9	NUM
eurjchem-2498	211	29	382.5	382.5	NUM
eurjchem-2498	211	30	h→l(95	h→l(95	NOUN
eurjchem-2498	211	31	)	)	PUNCT
eurjchem-2498	211	32	h→l+1(14	h→l+1(14	NOUN
eurjchem-2498	211	33	)	)	PUNCT
eurjchem-2498	211	34	h-1→l(83	h-1→l(83	NOUN
eurjchem-2498	211	35	)	)	PUNCT
eurjchem-2498	211	36	benzene	benzene	NOUN
eurjchem-2498	211	37	2.691	2.691	NUM
eurjchem-2498	211	38	0.437	0.437	NUM
eurjchem-2498	211	39	460.7	460.7	NUM
eurjchem-2498	211	40	h-2→l(97	h-2→l(97	NOUN
eurjchem-2498	211	41	)	)	PUNCT
eurjchem-2498	211	42	353.68	353.68	NUM
eurjchem-2498	211	43	3.129	3.129	NUM
eurjchem-2498	211	44	1.274	1.274	NUM
eurjchem-2498	211	45	396.3	396.3	NUM
eurjchem-2498	211	46	h-1→l(88	h-1→l(88	NOUN
eurjchem-2498	211	47	)	)	PUNCT
eurjchem-2498	211	48	,	,	PUNCT
eurjchem-2498	211	49	h→l+1(10	h→l+1(10	NUM
eurjchem-2498	211	50	)	)	PUNCT
eurjchem-2498	211	51	dichloromethane	dichloromethane	NOUN
eurjchem-2498	211	52	2.626	2.626	NUM
eurjchem-2498	211	53	0.331	0.331	NUM
eurjchem-2498	211	54	472.2	472.2	NUM
eurjchem-2498	211	55	h→l(98	h→l(98	NOUN
eurjchem-2498	211	56	)	)	PUNCT
eurjchem-2498	211	57	3.115	3.115	NUM
eurjchem-2498	211	58	1.376	1.376	NUM
eurjchem-2498	211	59	398.0	398.0	NUM
eurjchem-2498	211	60	h-1→l(88	h-1→l(88	PROPN
eurjchem-2498	211	61	)	)	PUNCT
eurjchem-2498	211	62	,	,	PUNCT
eurjchem-2498	211	63	h→l+1(10	h→l+1(10	NUM
eurjchem-2498	211	64	)	)	PUNCT
eurjchem-2498	211	65	355.00	355.00	NUM
eurjchem-2498	211	66	,	,	PUNCT
eurjchem-2498	211	67	239.00	239.00	NUM
eurjchem-2498	211	68	chloroform	chloroform	NOUN
eurjchem-2498	211	69	2.649	2.649	NUM
eurjchem-2498	211	70	0.361	0.361	NUM
eurjchem-2498	211	71	468.1	468.1	NUM
eurjchem-2498	211	72	h→l(97	h→l(97	NOUN
eurjchem-2498	211	73	)	)	PUNCT
eurjchem-2498	211	74	355.51	355.51	NUM
eurjchem-2498	211	75	3.120	3.120	NUM
eurjchem-2498	211	76	1.346	1.346	NUM
eurjchem-2498	211	77	397.4	397.4	NUM
eurjchem-2498	211	78	h-1→l(88	h-1→l(88	NOUN
eurjchem-2498	211	79	)	)	PUNCT
eurjchem-2498	211	80	,	,	PUNCT
eurjchem-2498	211	81	h→l+1(10	h→l+1(10	NUM
eurjchem-2498	211	82	)	)	PUNCT
eurjchem-2498	211	83	acetone	acetone	NOUN
eurjchem-2498	211	84	2.612	2.612	NUM
eurjchem-2498	211	85	0.299	0.299	NUM
eurjchem-2498	211	86	474.6	474.6	NUM
eurjchem-2498	211	87	h→l(98	h→l(98	NOUN
eurjchem-2498	211	88	)	)	PUNCT
eurjchem-2498	211	89	3.120	3.120	NUM
eurjchem-2498	211	90	1.396	1.396	NUM
eurjchem-2498	211	91	397.5	397.5	NUM
eurjchem-2498	211	92	h-1→l(97	h-1→l(97	PROPN
eurjchem-2498	211	93	)	)	PUNCT
eurjchem-2498	211	94	h→l+1(88	h→l+1(88	NOUN
eurjchem-2498	211	95	)	)	PUNCT
eurjchem-2498	211	96	368.00	368.00	NUM
eurjchem-2498	211	97	ethanol	ethanol	NOUN
eurjchem-2498	211	98	2.610	2.610	NUM
eurjchem-2498	211	99	0.298	0.298	NUM
eurjchem-2498	211	100	475.0	475.0	NUM
eurjchem-2498	211	101	h→l(98	h→l(98	NOUN
eurjchem-2498	211	102	)	)	PUNCT
eurjchem-2498	211	103	3.118	3.118	NUM
eurjchem-2498	211	104	1.398	1.398	NUM
eurjchem-2498	211	105	397.7	397.7	NUM
eurjchem-2498	211	106	h-1→l(88	h-1→l(88	PROPN
eurjchem-2498	211	107	)	)	PUNCT
eurjchem-2498	211	108	h→l+1(11	h→l+1(11	NOUN
eurjchem-2498	211	109	)	)	PUNCT
eurjchem-2498	211	110	362.53	362.53	NUM
eurjchem-2498	211	111	,	,	PUNCT
eurjchem-2498	211	112	243.00	243.00	NUM
eurjchem-2498	211	113	methanol	methanol	NOUN
eurjchem-2498	211	114	2.609	2.609	NUM
eurjchem-2498	211	115	0.288	0.288	NUM
eurjchem-2498	211	116	475.2	475.2	NUM
eurjchem-2498	211	117	h→l(98	h→l(98	NOUN
eurjchem-2498	211	118	)	)	PUNCT
eurjchem-2498	211	119	3.122	3.122	NUM
eurjchem-2498	211	120	1.401	1.401	NUM
eurjchem-2498	211	121	397.1	397.1	NUM
eurjchem-2498	211	122	h-1→l(88	h-1→l(88	PROPN
eurjchem-2498	211	123	)	)	PUNCT
eurjchem-2498	211	124	h→l+1(11	h→l+1(11	NOUN
eurjchem-2498	211	125	)	)	PUNCT
eurjchem-2498	211	126	264.62	264.62	NUM
eurjchem-2498	211	127	,	,	PUNCT
eurjchem-2498	211	128	232.00	232.00	NUM
eurjchem-2498	211	129	acetonitrile	acetonitrile	NOUN
eurjchem-2498	211	130	2.607	2.607	NUM
eurjchem-2498	211	131	0.291	0.291	NUM
eurjchem-2498	211	132	475.5	475.5	NUM
eurjchem-2498	211	133	h→l(98	h→l(98	NOUN
eurjchem-2498	211	134	)	)	PUNCT
eurjchem-2498	211	135	3.120	3.120	NUM
eurjchem-2498	211	136	1.402	1.402	NUM
eurjchem-2498	211	137	397.5	397.5	NUM
eurjchem-2498	211	138	h-1→l(88	h-1→l(88	PROPN
eurjchem-2498	211	139	)	)	PUNCT
eurjchem-2498	211	140	,	,	PUNCT
eurjchem-2498	211	141	h→l+1(11	h→l+1(11	NUM
eurjchem-2498	211	142	)	)	PUNCT
eurjchem-2498	212	1	259.02	259.02	NUM
eurjchem-2498	212	2	dmso	dmso	NOUN
eurjchem-2498	212	3	2.602	2.602	NUM
eurjchem-2498	212	4	0.306	0.306	NUM
eurjchem-2498	212	5	476.5	476.5	NUM
eurjchem-2498	212	6	h→l(98	h→l(98	NOUN
eurjchem-2498	212	7	)	)	PUNCT
eurjchem-2498	212	8	454.80	454.80	NUM
eurjchem-2498	212	9	3.108	3.108	NUM
eurjchem-2498	212	10	1.401	1.401	NUM
eurjchem-2498	212	11	398.9	398.9	NUM
eurjchem-2498	212	12	h-1→l(88	h-1→l(88	PROPN
eurjchem-2498	212	13	)	)	PUNCT
eurjchem-2498	212	14	,	,	PUNCT
eurjchem-2498	212	15	h→l+1(10	h→l+1(10	NUM
eurjchem-2498	212	16	)	)	PUNCT
eurjchem-2498	212	17	375.33	375.33	NUM
eurjchem-2498	212	18	water	water	NOUN
eurjchem-2498	212	19	2.604	2.604	NUM
eurjchem-2498	212	20	0.285	0.285	NUM
eurjchem-2498	212	21	476.2	476.2	NUM
eurjchem-2498	212	22	h→l(98	h→l(98	NOUN
eurjchem-2498	212	23	)	)	PUNCT
eurjchem-2498	212	24	3.120	3.120	NUM
eurjchem-2498	212	25	1.406	1.406	NUM
eurjchem-2498	212	26	397.4	397.4	NUM
eurjchem-2498	212	27	h-1→l(88	h-1→l(88	NOUN
eurjchem-2498	212	28	)	)	PUNCT
eurjchem-2498	212	29	,	,	PUNCT
eurjchem-2498	212	30	h→l+1(11	h→l+1(11	NUM
eurjchem-2498	212	31	)	)	PUNCT
eurjchem-2498	212	32	359.18	359.18	NUM
eurjchem-2498	212	33	comparing	compare	VERB
eurjchem-2498	212	34	compounds	compound	NOUN
eurjchem-2498	212	35	1	1	NUM
eurjchem-2498	212	36	and	and	CCONJ
eurjchem-2498	212	37	2	2	NUM
eurjchem-2498	212	38	with	with	ADP
eurjchem-2498	212	39	increasing	increase	VERB
eurjchem-2498	212	40	dielectric	dielectric	ADJ
eurjchem-2498	212	41	constant	constant	ADJ
eurjchem-2498	212	42	,	,	PUNCT
eurjchem-2498	212	43	compound	compound	NOUN
eurjchem-2498	212	44	1	1	NUM
eurjchem-2498	212	45	exhibits	exhibit	VERB
eurjchem-2498	212	46	a	a	DET
eurjchem-2498	212	47	higher	high	ADJ
eurjchem-2498	212	48	variation	variation	NOUN
eurjchem-2498	212	49	in	in	ADP
eurjchem-2498	212	50	dipole	dipole	NOUN
eurjchem-2498	212	51	moment	moment	NOUN
eurjchem-2498	212	52	ranging	range	VERB
eurjchem-2498	212	53	from	from	ADP
eurjchem-2498	212	54	5.0	5.0	NUM
eurjchem-2498	212	55	to	to	ADP
eurjchem-2498	212	56	6.8	6.8	NUM
eurjchem-2498	212	57	debye	debye	ADJ
eurjchem-2498	212	58	than	than	ADP
eurjchem-2498	212	59	its	its	PRON
eurjchem-2498	212	60	counterpart	counterpart	NOUN
eurjchem-2498	212	61	.	.	PUNCT
eurjchem-2498	213	1	two	two	NUM
eurjchem-2498	213	2	regions	region	NOUN
eurjchem-2498	213	3	of	of	ADP
eurjchem-2498	213	4	dipole	dipole	NOUN
eurjchem-2498	213	5	moment	moment	NOUN
eurjchem-2498	213	6	values	value	NOUN
eurjchem-2498	213	7	are	be	AUX
eurjchem-2498	213	8	identified	identify	VERB
eurjchem-2498	213	9	by	by	ADP
eurjchem-2498	213	10	plotting	plot	VERB
eurjchem-2498	213	11	the	the	DET
eurjchem-2498	213	12	dipole	dipole	NOUN
eurjchem-2498	213	13	moment	moment	NOUN
eurjchem-2498	213	14	µ	µ	DET
eurjchem-2498	213	15	value	value	NOUN
eurjchem-2498	213	16	against	against	ADP
eurjchem-2498	213	17	the	the	DET
eurjchem-2498	213	18	solvent	solvent	NOUN
eurjchem-2498	213	19	’s	’s	PART
eurjchem-2498	213	20	dielectric	dielectric	ADJ
eurjchem-2498	213	21	constant	constant	ADJ
eurjchem-2498	213	22	d	d	NOUN
eurjchem-2498	213	23	,	,	PUNCT
eurjchem-2498	213	24	which	which	PRON
eurjchem-2498	213	25	offers	offer	VERB
eurjchem-2498	213	26	light	light	NOUN
eurjchem-2498	213	27	on	on	ADP
eurjchem-2498	213	28	strongly	strongly	ADV
eurjchem-2498	213	29	solvent	solvent	ADJ
eurjchem-2498	213	30	-	-	PUNCT
eurjchem-2498	213	31	dependent	dependent	ADJ
eurjchem-2498	213	32	molecular	molecular	ADJ
eurjchem-2498	213	33	properties	property	NOUN
eurjchem-2498	213	34	.	.	PUNCT
eurjchem-2498	214	1	d	d	PRON
eurjchem-2498	214	2	value	value	NOUN
eurjchem-2498	214	3	ranges	range	VERB
eurjchem-2498	214	4	from	from	ADP
eurjchem-2498	214	5	0	0	NUM
eurjchem-2498	214	6	to	to	ADP
eurjchem-2498	214	7	80	80	NUM
eurjchem-2498	214	8	debye	debye	ADJ
eurjchem-2498	214	9	,	,	PUNCT
eurjchem-2498	214	10	where	where	SCONJ
eurjchem-2498	214	11	the	the	DET
eurjchem-2498	214	12	increase	increase	NOUN
eurjchem-2498	214	13	is	be	AUX
eurjchem-2498	214	14	seen	see	VERB
eurjchem-2498	214	15	;	;	PUNCT
eurjchem-2498	214	16	below	below	ADP
eurjchem-2498	214	17	the	the	DET
eurjchem-2498	214	18	d	d	NOUN
eurjchem-2498	214	19	value	value	NOUN
eurjchem-2498	214	20	of	of	ADP
eurjchem-2498	214	21	zero	zero	NUM
eurjchem-2498	214	22	,	,	PUNCT
eurjchem-2498	214	23	hardly	hardly	ADV
eurjchem-2498	214	24	any	any	DET
eurjchem-2498	214	25	changes	change	NOUN
eurjchem-2498	214	26	are	be	AUX
eurjchem-2498	214	27	noticed	notice	VERB
eurjchem-2498	214	28	.	.	PUNCT
eurjchem-2498	215	1	as	as	ADP
eurjchem-2498	215	2	the	the	DET
eurjchem-2498	215	3	dielectric	dielectric	ADJ
eurjchem-2498	215	4	constant	constant	ADJ
eurjchem-2498	215	5	increases	increase	NOUN
eurjchem-2498	215	6	,	,	PUNCT
eurjchem-2498	215	7	an	an	DET
eurjchem-2498	215	8	increase	increase	NOUN
eurjchem-2498	215	9	in	in	ADP
eurjchem-2498	215	10	charge	charge	NOUN
eurjchem-2498	215	11	is	be	AUX
eurjchem-2498	215	12	expected	expect	VERB
eurjchem-2498	215	13	for	for	ADP
eurjchem-2498	215	14	most	most	ADJ
eurjchem-2498	215	15	of	of	ADP
eurjchem-2498	215	16	the	the	DET
eurjchem-2498	215	17	atoms	atom	NOUN
eurjchem-2498	215	18	,	,	PUNCT
eurjchem-2498	215	19	but	but	CCONJ
eurjchem-2498	215	20	few	few	ADJ
eurjchem-2498	215	21	atoms	atom	NOUN
eurjchem-2498	215	22	show	show	VERB
eurjchem-2498	215	23	a	a	DET
eurjchem-2498	215	24	decrease	decrease	NOUN
eurjchem-2498	215	25	in	in	ADP
eurjchem-2498	215	26	charge	charge	NOUN
eurjchem-2498	215	27	.	.	PUNCT
eurjchem-2498	216	1	in	in	ADP
eurjchem-2498	216	2	compound	compound	NOUN
eurjchem-2498	216	3	1	1	NUM
eurjchem-2498	216	4	,	,	PUNCT
eurjchem-2498	216	5	c1	c1	PROPN
eurjchem-2498	216	6	,	,	PUNCT
eurjchem-2498	216	7	c2	c2	PROPN
eurjchem-2498	216	8	,	,	PUNCT
eurjchem-2498	216	9	c5	c5	PROPN
eurjchem-2498	216	10	,	,	PUNCT
eurjchem-2498	216	11	n11	n11	PROPN
eurjchem-2498	216	12	,	,	PUNCT
eurjchem-2498	216	13	n14	n14	PROPN
eurjchem-2498	216	14	,	,	PUNCT
eurjchem-2498	216	15	n15	n15	PROPN
eurjchem-2498	216	16	,	,	PUNCT
eurjchem-2498	216	17	c19	c19	PROPN
eurjchem-2498	216	18	,	,	PUNCT
eurjchem-2498	216	19	c21	c21	PROPN
eurjchem-2498	216	20	,	,	PUNCT
eurjchem-2498	216	21	o25	o25	PROPN
eurjchem-2498	216	22	,	,	PUNCT
eurjchem-2498	216	23	and	and	CCONJ
eurjchem-2498	216	24	n30	n30	NOUN
eurjchem-2498	216	25	,	,	PUNCT
eurjchem-2498	216	26	in	in	ADP
eurjchem-2498	216	27	compound	compound	NOUN
eurjchem-2498	216	28	2	2	NUM
eurjchem-2498	216	29	,	,	PUNCT
eurjchem-2498	216	30	c2	c2	PROPN
eurjchem-2498	216	31	,	,	PUNCT
eurjchem-2498	216	32	c4	c4	NOUN
eurjchem-2498	216	33	,	,	PUNCT
eurjchem-2498	216	34	c6	c6	PROPN
eurjchem-2498	216	35	,	,	PUNCT
eurjchem-2498	216	36	c15	c15	NOUN
eurjchem-2498	216	37	,	,	PUNCT
eurjchem-2498	216	38	n19	n19	NOUN
eurjchem-2498	216	39	,	,	PUNCT
eurjchem-2498	216	40	n20	n20	NOUN
eurjchem-2498	216	41	,	,	PUNCT
eurjchem-2498	216	42	o30	o30	PROPN
eurjchem-2498	216	43	,	,	PUNCT
eurjchem-2498	216	44	n34	n34	PROPN
eurjchem-2498	216	45	,	,	PUNCT
eurjchem-2498	216	46	and	and	CCONJ
eurjchem-2498	216	47	n39	n39	PROPN
eurjchem-2498	216	48	,	,	PUNCT
eurjchem-2498	216	49	atoms	atom	NOUN
eurjchem-2498	216	50	found	find	VERB
eurjchem-2498	216	51	to	to	PART
eurjchem-2498	216	52	have	have	AUX
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eurjchem-2498	232	2	stability	stability	NOUN
eurjchem-2498	232	3	of	of	ADP
eurjchem-2498	232	4	compounds	compound	NOUN
eurjchem-2498	232	5	1	1	NUM
eurjchem-2498	232	6	and	and	CCONJ
eurjchem-2498	232	7	2	2	NUM
eurjchem-2498	232	8	increases	increase	NOUN
eurjchem-2498	232	9	with	with	ADP
eurjchem-2498	232	10	increasing	increase	VERB
eurjchem-2498	232	11	dielectric	dielectric	ADJ
eurjchem-2498	232	12	constants	constant	NOUN
eurjchem-2498	232	13	;	;	PUNCT
eurjchem-2498	232	14	comparatively	comparatively	ADV
eurjchem-2498	232	15	,	,	PUNCT
eurjchem-2498	232	16	compound	compound	NOUN
eurjchem-2498	232	17	2	2	NUM
eurjchem-2498	232	18	enjoys	enjoy	VERB
eurjchem-2498	232	19	more	more	ADJ
eurjchem-2498	232	20	stability	stability	NOUN
eurjchem-2498	232	21	than	than	ADP
eurjchem-2498	232	22	compound	compound	NOUN
eurjchem-2498	232	23	1	1	NUM
eurjchem-2498	232	24	[	[	X
eurjchem-2498	232	25	37	37	NUM
eurjchem-2498	232	26	]	]	PUNCT
eurjchem-2498	232	27	.	.	PUNCT
eurjchem-2498	233	1	compound	compound	NOUN
eurjchem-2498	233	2	1	1	NUM
eurjchem-2498	233	3	exhibits	exhibit	VERB
eurjchem-2498	233	4	maximum	maximum	ADJ
eurjchem-2498	233	5	polarizability	polarizability	NOUN
eurjchem-2498	233	6	in	in	ADP
eurjchem-2498	233	7	water	water	NOUN
eurjchem-2498	233	8	11.2314	11.2314	NUM
eurjchem-2498	233	9	,	,	PUNCT
eurjchem-2498	233	10	followed	follow	VERB
eurjchem-2498	233	11	by	by	ADP
eurjchem-2498	233	12	dmso	dmso	NOUN
eurjchem-2498	233	13	11.1825	11.1825	NUM
eurjchem-2498	233	14	,	,	PUNCT
eurjchem-2498	233	15	which	which	PRON
eurjchem-2498	233	16	follows	follow	VERB
eurjchem-2498	233	17	an	an	DET
eurjchem-2498	233	18	order	order	NOUN
eurjchem-2498	233	19	with	with	ADP
eurjchem-2498	233	20	respect	respect	NOUN
eurjchem-2498	233	21	to	to	ADP
eurjchem-2498	233	22	dielectric	dielectric	ADJ
eurjchem-2498	233	23	constant	constant	ADJ
eurjchem-2498	233	24	.	.	PUNCT
eurjchem-2498	234	1	as	as	ADP
eurjchem-2498	234	2	the	the	DET
eurjchem-2498	234	3	dielectric	dielectric	ADJ
eurjchem-2498	234	4	constant	constant	ADJ
eurjchem-2498	234	5	increases	increase	NOUN
eurjchem-2498	234	6	,	,	PUNCT
eurjchem-2498	234	7	the	the	DET
eurjchem-2498	234	8	polarizability	polarizability	NOUN
eurjchem-2498	234	9	also	also	ADV
eurjchem-2498	234	10	increases	increase	VERB
eurjchem-2498	234	11	.	.	PUNCT
eurjchem-2498	235	1	in	in	ADP
eurjchem-2498	235	2	compound	compound	NOUN
eurjchem-2498	235	3	2	2	NUM
eurjchem-2498	235	4	also	also	ADV
eurjchem-2498	235	5	,	,	PUNCT
eurjchem-2498	235	6	the	the	DET
eurjchem-2498	235	7	same	same	ADJ
eurjchem-2498	235	8	trend	trend	NOUN
eurjchem-2498	235	9	is	be	AUX
eurjchem-2498	235	10	identified	identify	VERB
eurjchem-2498	235	11	,	,	PUNCT
eurjchem-2498	235	12	that	that	DET
eurjchem-2498	235	13	maximum	maximum	NOUN
eurjchem-2498	235	14	is	be	AUX
eurjchem-2498	235	15	shown	show	VERB
eurjchem-2498	235	16	in	in	ADP
eurjchem-2498	235	17	water	water	NOUN
eurjchem-2498	235	18	followed	follow	VERB
eurjchem-2498	235	19	by	by	ADP
eurjchem-2498	235	20	dmso	dmso	NOUN
eurjchem-2498	235	21	.	.	PUNCT
eurjchem-2498	236	1	these	these	DET
eurjchem-2498	236	2	molecules	molecule	NOUN
eurjchem-2498	236	3	exhibit	exhibit	VERB
eurjchem-2498	236	4	polarizability	polarizability	NOUN
eurjchem-2498	236	5	comparable	comparable	ADJ
eurjchem-2498	236	6	to	to	ADP
eurjchem-2498	236	7	diethylamine	diethylamine	NOUN
eurjchem-2498	236	8	and	and	CCONJ
eurjchem-2498	236	9	are	be	AUX
eurjchem-2498	236	10	candidates	candidate	NOUN
eurjchem-2498	236	11	for	for	ADP
eurjchem-2498	236	12	a	a	DET
eurjchem-2498	236	13	good	good	ADJ
eurjchem-2498	236	14	electro	electro	ADJ
eurjchem-2498	236	15	-	-	PUNCT
eurjchem-2498	236	16	optic	optic	NOUN
eurjchem-2498	236	17	response	response	NOUN
eurjchem-2498	236	18	[	[	X
eurjchem-2498	236	19	38	38	NUM
eurjchem-2498	236	20	]	]	PUNCT
eurjchem-2498	236	21	.	.	PUNCT
eurjchem-2498	237	1	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2498	237	2	:	:	PUNCT
eurjchem-2498	237	3	on	on	ADP
eurjchem-2498	237	4	studying	study	VERB
eurjchem-2498	237	5	the	the	DET
eurjchem-2498	237	6	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2498	237	7	values	value	NOUN
eurjchem-2498	237	8	of	of	ADP
eurjchem-2498	237	9	compound	compound	NOUN
eurjchem-2498	237	10	1	1	NUM
eurjchem-2498	237	11	,	,	PUNCT
eurjchem-2498	237	12	it	it	PRON
eurjchem-2498	237	13	is	be	AUX
eurjchem-2498	237	14	observed	observe	VERB
eurjchem-2498	237	15	that	that	SCONJ
eurjchem-2498	237	16	the	the	DET
eurjchem-2498	237	17	compound	compound	NOUN
eurjchem-2498	237	18	under	under	ADP
eurjchem-2498	237	19	study	study	NOUN
eurjchem-2498	237	20	shows	show	VERB
eurjchem-2498	237	21	a	a	DET
eurjchem-2498	237	22	maximum	maximum	ADJ
eurjchem-2498	237	23	first	first	ADJ
eurjchem-2498	237	24	-	-	PUNCT
eurjchem-2498	237	25	order	order	NOUN
eurjchem-2498	237	26	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2498	237	27	of	of	ADP
eurjchem-2498	237	28	5.00783×10	5.00783×10	NUM
eurjchem-2498	237	29	-	-	SYM
eurjchem-2498	237	30	30	30	NUM
eurjchem-2498	237	31	e.s.u	e.s.u	NOUN
eurjchem-2498	237	32	.	.	PUNCT
eurjchem-2498	238	1	in	in	ADP
eurjchem-2498	238	2	water	water	NOUN
eurjchem-2498	238	3	.	.	PUNCT
eurjchem-2498	239	1	an	an	DET
eurjchem-2498	239	2	increasing	increase	VERB
eurjchem-2498	239	3	trend	trend	NOUN
eurjchem-2498	239	4	of	of	ADP
eurjchem-2498	239	5	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2498	239	6	is	be	AUX
eurjchem-2498	239	7	observed	observe	VERB
eurjchem-2498	239	8	as	as	ADP
eurjchem-2498	239	9	an	an	DET
eurjchem-2498	239	10	increase	increase	NOUN
eurjchem-2498	239	11	in	in	ADP
eurjchem-2498	239	12	the	the	DET
eurjchem-2498	239	13	dielectric	dielectric	ADJ
eurjchem-2498	239	14	constant	constant	ADJ
eurjchem-2498	239	15	.	.	PUNCT
eurjchem-2498	240	1	siluvairaj	siluvairaj	VERB
eurjchem-2498	240	2	et	et	PROPN
eurjchem-2498	240	3	al	al	PROPN
eurjchem-2498	240	4	.	.	PUNCT
eurjchem-2498	240	5	/	/	SYM
eurjchem-2498	240	6	european	european	PROPN
eurjchem-2498	240	7	journal	journal	PROPN
eurjchem-2498	240	8	of	of	ADP
eurjchem-2498	240	9	chemistry	chemistry	NOUN
eurjchem-2498	240	10	15	15	NUM
eurjchem-2498	240	11	(	(	PUNCT
eurjchem-2498	240	12	1	1	NUM
eurjchem-2498	240	13	)	)	PUNCT
eurjchem-2498	240	14	(	(	PUNCT
eurjchem-2498	240	15	2024	2024	NUM
eurjchem-2498	240	16	)	)	PUNCT
eurjchem-2498	240	17	50	50	NUM
eurjchem-2498	240	18	-	-	SYM
eurjchem-2498	240	19	70	70	NUM
eurjchem-2498	240	20	61	61	NUM
eurjchem-2498	240	21	2024	2024	NUM
eurjchem-2498	240	22	–	–	PUNCT
eurjchem-2498	240	23	european	european	ADJ
eurjchem-2498	240	24	journal	journal	NOUN
eurjchem-2498	240	25	of	of	ADP
eurjchem-2498	240	26	chemistry	chemistry	NOUN
eurjchem-2498	240	27	–	–	PUNCT
eurjchem-2498	240	28	cc	cc	NOUN
eurjchem-2498	240	29	by	by	ADP
eurjchem-2498	240	30	nc	nc	PROPN
eurjchem-2498	240	31	–	–	PUNCT
eurjchem-2498	240	32	doi	doi	NOUN
eurjchem-2498	240	33	:	:	PUNCT
eurjchem-2498	240	34	10.5155	10.5155	NUM
eurjchem-2498	240	35	/	/	SYM
eurjchem-2498	240	36	eurjchem.15.1.50	eurjchem.15.1.50	ADJ
eurjchem-2498	240	37	-	-	SYM
eurjchem-2498	240	38	70.2498	70.2498	NUM
eurjchem-2498	240	39	table	table	NOUN
eurjchem-2498	240	40	8	8	NUM
eurjchem-2498	240	41	.	.	PUNCT
eurjchem-2498	241	1	second	second	ADJ
eurjchem-2498	241	2	-	-	PUNCT
eurjchem-2498	241	3	order	order	NOUN
eurjchem-2498	241	4	perturbation	perturbation	NOUN
eurjchem-2498	241	5	theory	theory	NOUN
eurjchem-2498	241	6	analysis	analysis	NOUN
eurjchem-2498	241	7	of	of	ADP
eurjchem-2498	241	8	fock	fock	ADJ
eurjchem-2498	241	9	-	-	PUNCT
eurjchem-2498	241	10	matrix	matrix	NOUN
eurjchem-2498	241	11	in	in	ADP
eurjchem-2498	241	12	nbo	nbo	PROPN
eurjchem-2498	241	13	basis	basis	NOUN
eurjchem-2498	241	14	for	for	ADP
eurjchem-2498	241	15	compound	compound	NOUN
eurjchem-2498	241	16	1	1	NUM
eurjchem-2498	241	17	.	.	PUNCT
eurjchem-2498	242	1	donor	donor	NOUN
eurjchem-2498	242	2	occupancy	occupancy	NOUN
eurjchem-2498	242	3	acceptor	acceptor	NOUN
eurjchem-2498	242	4	e(2	e(2	PROPN
eurjchem-2498	242	5	)	)	PUNCT
eurjchem-2498	242	6	,	,	PUNCT
eurjchem-2498	242	7	kcal	kcal	PROPN
eurjchem-2498	242	8	/	/	SYM
eurjchem-2498	242	9	mol	mol	ADP
eurjchem-2498	242	10	ej	ej	PROPN
eurjchem-2498	242	11	-	-	PUNCT
eurjchem-2498	242	12	ei	ei	PROPN
eurjchem-2498	242	13	,	,	PUNCT
eurjchem-2498	242	14	a.u	a.u	PROPN
eurjchem-2498	242	15	.	.	PROPN
eurjchem-2498	242	16	f(i	f(i	PROPN
eurjchem-2498	242	17	,	,	PUNCT
eurjchem-2498	242	18	j	j	PROPN
eurjchem-2498	242	19	)	)	PUNCT
eurjchem-2498	242	20	,	,	PUNCT
eurjchem-2498	242	21	a.u	a.u	PROPN
eurjchem-2498	242	22	.	.	PROPN
eurjchem-2498	242	23	πc1	πc1	PROPN
eurjchem-2498	242	24	-	-	PUNCT
eurjchem-2498	242	25	c2	c2	PROPN
eurjchem-2498	242	26	1.9724	1.9724	NUM
eurjchem-2498	242	27	lp(1)c3	lp(1)c3	VERB
eurjchem-2498	242	28	37.77	37.77	NUM
eurjchem-2498	242	29	0.15	0.15	NUM
eurjchem-2498	242	30	0.085	0.085	NUM
eurjchem-2498	242	31	πc1	πc1	PROPN
eurjchem-2498	242	32	-	-	PUNCT
eurjchem-2498	242	33	c2	c2	PROPN
eurjchem-2498	242	34	1.9724	1.9724	NUM
eurjchem-2498	242	35	lp*(1)c6	lp*(1)c6	VERB
eurjchem-2498	242	36	56.45	56.45	NUM
eurjchem-2498	242	37	0.14	0.14	NUM
eurjchem-2498	242	38	0.096	0.096	NUM
eurjchem-2498	242	39	πc4	πc4	NOUN
eurjchem-2498	242	40	-	-	PUNCT
eurjchem-2498	242	41	c5	c5	PROPN
eurjchem-2498	242	42	1.9725	1.9725	NUM
eurjchem-2498	242	43	lp(1)c3	lp(1)c3	VERB
eurjchem-2498	242	44	37.02	37.02	NUM
eurjchem-2498	242	45	0.15	0.15	NUM
eurjchem-2498	242	46	0.085	0.085	NUM
eurjchem-2498	242	47	πc4	πc4	NOUN
eurjchem-2498	242	48	-	-	PUNCT
eurjchem-2498	242	49	c5	c5	PROPN
eurjchem-2498	242	50	1.9725	1.9725	NUM
eurjchem-2498	242	51	lp*(1)c6	lp*(1)c6	VERB
eurjchem-2498	242	52	52.13	52.13	NUM
eurjchem-2498	242	53	0.14	0.14	NUM
eurjchem-2498	242	54	0.093	0.093	NUM
eurjchem-2498	242	55	πn14	πn14	PROPN
eurjchem-2498	242	56	-	-	PUNCT
eurjchem-2498	242	57	n15	n15	PROPN
eurjchem-2498	242	58	1.9875	1.9875	NUM
eurjchem-2498	242	59	lp(1)c3	lp(1)c3	NOUN
eurjchem-2498	242	60	14.92	14.92	NUM
eurjchem-2498	242	61	0.26	0.26	NUM
eurjchem-2498	242	62	0.079	0.079	NUM
eurjchem-2498	242	63	πc16	πc16	PROPN
eurjchem-2498	242	64	-	-	PUNCT
eurjchem-2498	242	65	c18	c18	NOUN
eurjchem-2498	242	66	1.9682	1.9682	NUM
eurjchem-2498	242	67	π*c17	π*c17	PROPN
eurjchem-2498	242	68	-	-	PUNCT
eurjchem-2498	242	69	c19	c19	NOUN
eurjchem-2498	242	70	20.37	20.37	NUM
eurjchem-2498	242	71	0.29	0.29	NUM
eurjchem-2498	242	72	0.069	0.069	NUM
eurjchem-2498	242	73	πc16	πc16	PROPN
eurjchem-2498	242	74	-	-	PUNCT
eurjchem-2498	242	75	c18	c18	NOUN
eurjchem-2498	242	76	1.9682	1.9682	NUM
eurjchem-2498	242	77	π*c21	π*c21	X
eurjchem-2498	242	78	-	-	PUNCT
eurjchem-2498	242	79	c23	c23	PROPN
eurjchem-2498	242	80	17.06	17.06	NUM
eurjchem-2498	242	81	0.28	0.28	NUM
eurjchem-2498	242	82	0.064	0.064	NUM
eurjchem-2498	242	83	πc17	πc17	PROPN
eurjchem-2498	242	84	-	-	PUNCT
eurjchem-2498	242	85	c19	c19	NOUN
eurjchem-2498	242	86	1.9708	1.9708	NUM
eurjchem-2498	242	87	π*c16	π*c16	PROPN
eurjchem-2498	242	88	-	-	PUNCT
eurjchem-2498	242	89	c18	c18	NOUN
eurjchem-2498	242	90	18.53	18.53	NUM
eurjchem-2498	242	91	0.29	0.29	NUM
eurjchem-2498	242	92	0.066	0.066	NUM
eurjchem-2498	242	93	πc17	πc17	PROPN
eurjchem-2498	242	94	-	-	PUNCT
eurjchem-2498	242	95	c19	c19	NOUN
eurjchem-2498	242	96	1.9708	1.9708	NUM
eurjchem-2498	242	97	π*c21	π*c21	PROPN
eurjchem-2498	242	98	-	-	PUNCT
eurjchem-2498	242	99	c23	c23	PROPN
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eurjchem-2498	242	104	-	-	PUNCT
eurjchem-2498	242	105	c23	c23	PROPN
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eurjchem-2498	242	109	n29	n29	NOUN
eurjchem-2498	242	110	21.19	21.19	NUM
eurjchem-2498	242	111	0.29	0.29	NUM
eurjchem-2498	242	112	0.071	0.071	NUM
eurjchem-2498	243	1	πc21	πc21	PROPN
eurjchem-2498	243	2	-	-	PUNCT
eurjchem-2498	243	3	c23	c23	PROPN
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eurjchem-2498	243	5	π*c17	π*c17	PROPN
eurjchem-2498	243	6	-	-	PUNCT
eurjchem-2498	243	7	c19	c19	NOUN
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eurjchem-2498	243	9	0.29	0.29	NUM
eurjchem-2498	243	10	0.063	0.063	NUM
eurjchem-2498	243	11	πc21	πc21	PROPN
eurjchem-2498	243	12	-	-	PUNCT
eurjchem-2498	243	13	c23	c23	PROPN
eurjchem-2498	243	14	1.9722	1.9722	NUM
eurjchem-2498	243	15	π*c27	π*c27	NOUN
eurjchem-2498	243	16	-	-	NOUN
eurjchem-2498	243	17	n29	n29	NOUN
eurjchem-2498	243	18	20.02	20.02	NUM
eurjchem-2498	243	19	0.25	0.25	NUM
eurjchem-2498	243	20	0.066	0.066	NUM
eurjchem-2498	243	21	πc32	πc32	NOUN
eurjchem-2498	243	22	-	-	PUNCT
eurjchem-2498	243	23	c34	c34	PRON
eurjchem-2498	243	24	1.9757	1.9757	NUM
eurjchem-2498	243	25	π*c33	π*c33	NOUN
eurjchem-2498	243	26	-	-	PUNCT
eurjchem-2498	243	27	c35	c35	PROPN
eurjchem-2498	243	28	18.88	18.88	NUM
eurjchem-2498	243	29	0.29	0.29	NUM
eurjchem-2498	243	30	0.066	0.066	NUM
eurjchem-2498	243	31	πc32	πc32	PROPN
eurjchem-2498	243	32	-	-	PUNCT
eurjchem-2498	243	33	c34	c34	PRON
eurjchem-2498	243	34	1.9757	1.9757	NUM
eurjchem-2498	243	35	π*c37	π*c37	NOUN
eurjchem-2498	243	36	-	-	PUNCT
eurjchem-2498	243	37	c39	c39	NOUN
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eurjchem-2498	243	41	πc33	πc33	PROPN
eurjchem-2498	243	42	-	-	PUNCT
eurjchem-2498	243	43	c35	c35	NOUN
eurjchem-2498	243	44	1.9770	1.9770	NUM
eurjchem-2498	243	45	π*c32	π*c32	NOUN
eurjchem-2498	243	46	-	-	PUNCT
eurjchem-2498	243	47	c34	c34	NUM
eurjchem-2498	243	48	20.97	20.97	NUM
eurjchem-2498	243	49	0.28	0.28	NUM
eurjchem-2498	243	50	0.069	0.069	NUM
eurjchem-2498	243	51	πc33	πc33	PROPN
eurjchem-2498	243	52	-	-	PUNCT
eurjchem-2498	243	53	c35	c35	NOUN
eurjchem-2498	243	54	1.9770	1.9770	NUM
eurjchem-2498	243	55	π*c37	π*c37	NOUN
eurjchem-2498	243	56	-	-	PUNCT
eurjchem-2498	243	57	c39	c39	NOUN
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eurjchem-2498	243	63	c39	c39	NOUN
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eurjchem-2498	243	66	-	-	PUNCT
eurjchem-2498	243	67	c34	c34	NOUN
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eurjchem-2498	243	71	πc37	πc37	PROPN
eurjchem-2498	243	72	-	-	PUNCT
eurjchem-2498	243	73	c39	c39	NOUN
eurjchem-2498	243	74	1.6643	1.6643	NUM
eurjchem-2498	243	75	π*c33	π*c33	NOUN
eurjchem-2498	243	76	-	-	PUNCT
eurjchem-2498	243	77	c35	c35	PROPN
eurjchem-2498	243	78	20.97	20.97	NUM
eurjchem-2498	243	79	0.28	0.28	NUM
eurjchem-2498	243	80	0.069	0.069	NUM
eurjchem-2498	243	81	lp(1)c3	lp(1)c3	NOUN
eurjchem-2498	243	82	1.9992	1.9992	NUM
eurjchem-2498	243	83	π*c1	π*c1	NOUN
eurjchem-2498	243	84	-	-	PUNCT
eurjchem-2498	243	85	c2	c2	PROPN
eurjchem-2498	243	86	75.30	75.30	NUM
eurjchem-2498	243	87	0.14	0.14	NUM
eurjchem-2498	243	88	0.110	0.110	NUM
eurjchem-2498	243	89	lp(1)c3	lp(1)c3	NOUN
eurjchem-2498	243	90	1.9992	1.9992	NUM
eurjchem-2498	243	91	π*c4	π*c4	NOUN
eurjchem-2498	243	92	-	-	PUNCT
eurjchem-2498	243	93	c5	c5	PROPN
eurjchem-2498	243	94	70.45	70.45	NUM
eurjchem-2498	243	95	0.14	0.14	NUM
eurjchem-2498	243	96	0.108	0.108	NUM
eurjchem-2498	243	97	lp(1)c3	lp(1)c3	NOUN
eurjchem-2498	243	98	1.9992	1.9992	NUM
eurjchem-2498	243	99	π*n14	π*n14	NOUN
eurjchem-2498	243	100	-	-	PUNCT
eurjchem-2498	243	101	n15	n15	PROPN
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eurjchem-2498	243	105	lp*(1)c6	lp*(1)c6	VERB
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eurjchem-2498	243	107	π*c1	π*c1	NOUN
eurjchem-2498	243	108	-	-	PUNCT
eurjchem-2498	243	109	c2	c2	PROPN
eurjchem-2498	243	110	53.19	53.19	NUM
eurjchem-2498	243	111	0.15	0.15	NUM
eurjchem-2498	243	112	0.100	0.100	NUM
eurjchem-2498	243	113	lp*(1)c6	lp*(1)c6	VERB
eurjchem-2498	243	114	1.9991	1.9991	NUM
eurjchem-2498	243	115	π*c4	π*c4	NOUN
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eurjchem-2498	243	117	c5	c5	PROPN
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eurjchem-2498	244	4	lp(1)n11	lp(1)n11	PROPN
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eurjchem-2498	244	6	lp*(1)c6	lp*(1)c6	NOUN
eurjchem-2498	244	7	58.89	58.89	NUM
eurjchem-2498	244	8	0.18	0.18	NUM
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eurjchem-2498	244	10	lp(2)o25	lp(2)o25	PROPN
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eurjchem-2498	244	13	-	-	PUNCT
eurjchem-2498	244	14	c23	c23	PROPN
eurjchem-2498	244	15	32.36	32.36	NUM
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eurjchem-2498	244	17	0.100	0.100	NUM
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eurjchem-2498	244	23	25.30	25.30	NUM
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eurjchem-2498	244	25	0.078	0.078	NUM
eurjchem-2498	244	26	lp(1)n30	lp(1)n30	PROPN
eurjchem-2498	244	27	0.0030	0.0030	NUM
eurjchem-2498	244	28	π*c27	π*c27	NOUN
eurjchem-2498	244	29	-	-	NOUN
eurjchem-2498	244	30	c29	c29	NOUN
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eurjchem-2498	244	32	0.31	0.31	NUM
eurjchem-2498	244	33	0.060	0.060	NUM
eurjchem-2498	244	34	π*c21	π*c21	NOUN
eurjchem-2498	244	35	-	-	PUNCT
eurjchem-2498	244	36	c23	c23	PROPN
eurjchem-2498	244	37	0.0294	0.0294	NUM
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eurjchem-2498	244	39	-	-	PUNCT
eurjchem-2498	244	40	c18	c18	NOUN
eurjchem-2498	244	41	263.14	263.14	NUM
eurjchem-2498	244	42	0.01	0.01	NUM
eurjchem-2498	244	43	0.078	0.078	NUM
eurjchem-2498	244	44	π*c27	π*c27	NOUN
eurjchem-2498	244	45	-	-	NOUN
eurjchem-2498	244	46	c29	c29	VERB
eurjchem-2498	244	47	0.0419	0.0419	NUM
eurjchem-2498	244	48	π*c21	π*c21	X
eurjchem-2498	244	49	-	-	PUNCT
eurjchem-2498	244	50	c23	c23	PROPN
eurjchem-2498	244	51	80.67	80.67	NUM
eurjchem-2498	244	52	0.03	0.03	NUM
eurjchem-2498	244	53	0.072	0.072	NUM
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eurjchem-2498	244	59	a	a	DET
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eurjchem-2498	244	61	solvent	solvent	NOUN
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eurjchem-2498	245	1	compound	compound	NOUN
eurjchem-2498	245	2	2	2	NUM
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eurjchem-2498	245	13	the	the	DET
eurjchem-2498	245	14	dielectric	dielectric	ADJ
eurjchem-2498	245	15	constant	constant	ADJ
eurjchem-2498	245	16	increases	increase	NOUN
eurjchem-2498	245	17	.	.	PUNCT
eurjchem-2498	246	1	compounds	compound	NOUN
eurjchem-2498	246	2	1	1	NUM
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eurjchem-2498	246	4	2	2	NUM
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eurjchem-2498	246	6	various	various	ADJ
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eurjchem-2498	246	8	exhibit	exhibit	VERB
eurjchem-2498	246	9	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2498	246	10	values	value	NOUN
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eurjchem-2498	246	12	than	than	ADP
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eurjchem-2498	247	3	compounds	compound	NOUN
eurjchem-2498	247	4	1	1	NUM
eurjchem-2498	247	5	and	and	CCONJ
eurjchem-2498	247	6	2	2	NUM
eurjchem-2498	247	7	,	,	PUNCT
eurjchem-2498	247	8	the	the	DET
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eurjchem-2498	247	10	value	value	NOUN
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eurjchem-2498	247	12	identified	identify	VERB
eurjchem-2498	247	13	in	in	ADP
eurjchem-2498	247	14	compound	compound	NOUN
eurjchem-2498	247	15	1	1	NUM
eurjchem-2498	247	16	(	(	PUNCT
eurjchem-2498	247	17	7.17672	7.17672	NUM
eurjchem-2498	247	18	debye	debye	NOUN
eurjchem-2498	247	19	)	)	PUNCT
eurjchem-2498	247	20	.	.	PUNCT
eurjchem-2498	248	1	both	both	DET
eurjchem-2498	248	2	compounds	compound	VERB
eurjchem-2498	248	3	in	in	ADP
eurjchem-2498	248	4	water	water	NOUN
eurjchem-2498	248	5	show	show	VERB
eurjchem-2498	248	6	maximum	maximum	ADJ
eurjchem-2498	248	7	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2498	248	8	,	,	PUNCT
eurjchem-2498	248	9	dielectric	dielectric	ADJ
eurjchem-2498	248	10	constant	constant	ADJ
eurjchem-2498	248	11	,	,	PUNCT
eurjchem-2498	248	12	dipole	dipole	NOUN
eurjchem-2498	248	13	,	,	PUNCT
eurjchem-2498	248	14	and	and	CCONJ
eurjchem-2498	248	15	deficient	deficient	ADJ
eurjchem-2498	248	16	energy	energy	NOUN
eurjchem-2498	248	17	,	,	PUNCT
eurjchem-2498	248	18	indicating	indicate	VERB
eurjchem-2498	248	19	better	well	ADJ
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eurjchem-2498	248	22	[	[	X
eurjchem-2498	248	23	39	39	NUM
eurjchem-2498	248	24	]	]	PUNCT
eurjchem-2498	248	25	.	.	PUNCT
eurjchem-2498	249	1	3.5	3.5	NUM
eurjchem-2498	249	2	.	.	PUNCT
eurjchem-2498	250	1	mulliken	mulliken	NOUN
eurjchem-2498	250	2	charges	charge	NOUN
eurjchem-2498	250	3	mulliken	mulliken	NOUN
eurjchem-2498	250	4	charge	charge	NOUN
eurjchem-2498	250	5	calculation	calculation	NOUN
eurjchem-2498	250	6	is	be	AUX
eurjchem-2498	250	7	important	important	ADJ
eurjchem-2498	250	8	in	in	ADP
eurjchem-2498	250	9	quantum	quantum	ADJ
eurjchem-2498	250	10	chemistry	chemistry	NOUN
eurjchem-2498	250	11	because	because	SCONJ
eurjchem-2498	250	12	it	it	PRON
eurjchem-2498	250	13	affects	affect	VERB
eurjchem-2498	250	14	the	the	DET
eurjchem-2498	250	15	electronic	electronic	ADJ
eurjchem-2498	250	16	structure	structure	NOUN
eurjchem-2498	250	17	,	,	PUNCT
eurjchem-2498	250	18	molecular	molecular	ADJ
eurjchem-2498	250	19	polarization	polarization	NOUN
eurjchem-2498	250	20	,	,	PUNCT
eurjchem-2498	250	21	dipole	dipole	NOUN
eurjchem-2498	250	22	moment	moment	NOUN
eurjchem-2498	250	23	,	,	PUNCT
eurjchem-2498	250	24	and	and	CCONJ
eurjchem-2498	250	25	many	many	ADJ
eurjchem-2498	250	26	molecular	molecular	ADJ
eurjchem-2498	250	27	properties	property	NOUN
eurjchem-2498	250	28	.	.	PUNCT
eurjchem-2498	251	1	the	the	DET
eurjchem-2498	251	2	distribution	distribution	NOUN
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eurjchem-2498	251	4	charge	charge	NOUN
eurjchem-2498	251	5	in	in	ADP
eurjchem-2498	251	6	an	an	DET
eurjchem-2498	251	7	atomic	atomic	ADJ
eurjchem-2498	251	8	molecule	molecule	NOUN
eurjchem-2498	251	9	is	be	AUX
eurjchem-2498	251	10	determined	determine	VERB
eurjchem-2498	251	11	by	by	ADP
eurjchem-2498	251	12	the	the	DET
eurjchem-2498	251	13	donor	donor	NOUN
eurjchem-2498	251	14	and	and	CCONJ
eurjchem-2498	251	15	acceptor	acceptor	NOUN
eurjchem-2498	251	16	pairs	pair	NOUN
eurjchem-2498	251	17	of	of	ADP
eurjchem-2498	251	18	electrons	electron	NOUN
eurjchem-2498	251	19	.	.	PUNCT
eurjchem-2498	252	1	atomic	atomic	ADJ
eurjchem-2498	252	2	charge	charge	NOUN
eurjchem-2498	252	3	is	be	AUX
eurjchem-2498	252	4	used	use	VERB
eurjchem-2498	252	5	in	in	ADP
eurjchem-2498	252	6	electronegativity	electronegativity	NOUN
eurjchem-2498	252	7	processes	process	NOUN
eurjchem-2498	252	8	,	,	PUNCT
eurjchem-2498	252	9	equalization	equalization	NOUN
eurjchem-2498	252	10	,	,	PUNCT
eurjchem-2498	252	11	and	and	CCONJ
eurjchem-2498	252	12	charge	charge	NOUN
eurjchem-2498	252	13	transmission	transmission	NOUN
eurjchem-2498	252	14	in	in	ADP
eurjchem-2498	252	15	chemical	chemical	ADJ
eurjchem-2498	252	16	reactions	reaction	NOUN
eurjchem-2498	252	17	[	[	X
eurjchem-2498	252	18	40	40	NUM
eurjchem-2498	252	19	-	-	SYM
eurjchem-2498	252	20	42	42	NUM
eurjchem-2498	252	21	]	]	PUNCT
eurjchem-2498	252	22	.	.	PUNCT
eurjchem-2498	253	1	the	the	DET
eurjchem-2498	253	2	calculated	calculate	VERB
eurjchem-2498	253	3	mulliken	mulliken	PROPN
eurjchem-2498	253	4	atomic	atomic	ADJ
eurjchem-2498	253	5	charge	charge	NOUN
eurjchem-2498	253	6	by	by	ADP
eurjchem-2498	253	7	the	the	DET
eurjchem-2498	253	8	dft	dft	PROPN
eurjchem-2498	253	9	method	method	NOUN
eurjchem-2498	253	10	on	on	ADP
eurjchem-2498	253	11	the	the	DET
eurjchem-2498	253	12	basis	basis	NOUN
eurjchem-2498	253	13	set	set	NOUN
eurjchem-2498	253	14	b3lyp/6	b3lyp/6	PROPN
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eurjchem-2498	253	16	311+g(d	311+g(d	PROPN
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eurjchem-2498	253	18	p	p	NOUN
eurjchem-2498	253	19	)	)	PUNCT
eurjchem-2498	253	20	is	be	AUX
eurjchem-2498	253	21	shown	show	VERB
eurjchem-2498	253	22	in	in	ADP
eurjchem-2498	253	23	table	table	NOUN
eurjchem-2498	253	24	7	7	NUM
eurjchem-2498	253	25	.	.	PUNCT
eurjchem-2498	254	1	it	it	PRON
eurjchem-2498	254	2	is	be	AUX
eurjchem-2498	254	3	notable	notable	ADJ
eurjchem-2498	254	4	that	that	SCONJ
eurjchem-2498	254	5	in	in	ADP
eurjchem-2498	254	6	compound	compound	NOUN
eurjchem-2498	254	7	1	1	NUM
eurjchem-2498	254	8	,	,	PUNCT
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eurjchem-2498	254	10	atoms	atom	NOUN
eurjchem-2498	254	11	c1	c1	NOUN
eurjchem-2498	254	12	,	,	PUNCT
eurjchem-2498	254	13	c4	c4	NOUN
eurjchem-2498	254	14	,	,	PUNCT
eurjchem-2498	254	15	n14	n14	PROPN
eurjchem-2498	254	16	,	,	PUNCT
eurjchem-2498	254	17	n15	n15	PROPN
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eurjchem-2498	254	22	and	and	CCONJ
eurjchem-2498	254	23	c4	c4	NOUN
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eurjchem-2498	254	25	c6	c6	PROPN
eurjchem-2498	254	26	,	,	PUNCT
eurjchem-2498	254	27	c13	c13	PROPN
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eurjchem-2498	254	33	c22	c22	NOUN
eurjchem-2498	254	34	,	,	PUNCT
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eurjchem-2498	254	36	in	in	ADP
eurjchem-2498	254	37	compound	compound	NOUN
eurjchem-2498	254	38	2	2	NUM
eurjchem-2498	254	39	exhibit	exhibit	VERB
eurjchem-2498	254	40	a	a	DET
eurjchem-2498	254	41	positive	positive	ADJ
eurjchem-2498	254	42	charge	charge	NOUN
eurjchem-2498	254	43	.	.	PUNCT
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eurjchem-2498	255	2	charge	charge	NOUN
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eurjchem-2498	255	4	found	find	VERB
eurjchem-2498	255	5	on	on	ADP
eurjchem-2498	255	6	the	the	DET
eurjchem-2498	255	7	atoms	atom	NOUN
eurjchem-2498	255	8	c2	c2	PROPN
eurjchem-2498	255	9	,	,	PUNCT
eurjchem-2498	255	10	c3	c3	PROPN
eurjchem-2498	255	11	,	,	PUNCT
eurjchem-2498	255	12	c5	c5	PROPN
eurjchem-2498	255	13	,	,	PUNCT
eurjchem-2498	255	14	c6	c6	PROPN
eurjchem-2498	255	15	,	,	PUNCT
eurjchem-2498	255	16	n11	n11	PROPN
eurjchem-2498	255	17	,	,	PUNCT
eurjchem-2498	255	18	c16	c16	PROPN
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eurjchem-2498	255	20	c18	c18	NOUN
eurjchem-2498	255	21	,	,	PUNCT
eurjchem-2498	255	22	c19	c19	PROPN
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eurjchem-2498	255	24	c23	c23	PROPN
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eurjchem-2498	255	28	c27	c27	PROPN
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eurjchem-2498	255	32	n30	n30	PROPN
eurjchem-2498	255	33	,	,	PUNCT
eurjchem-2498	255	34	c32	c32	NOUN
eurjchem-2498	255	35	andc1	andc1	PROPN
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eurjchem-2498	255	37	c2	c2	PROPN
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eurjchem-2498	255	39	c3	c3	PROPN
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eurjchem-2498	255	41	c5	c5	PROPN
eurjchem-2498	255	42	,	,	PUNCT
eurjchem-2498	255	43	n11	n11	PROPN
eurjchem-2498	255	44	,	,	PUNCT
eurjchem-2498	255	45	o14	o14	NOUN
eurjchem-2498	255	46	,	,	PUNCT
eurjchem-2498	255	47	c15	c15	PROPN
eurjchem-2498	255	48	,	,	PUNCT
eurjchem-2498	255	49	c21	c21	PROPN
eurjchem-2498	255	50	,	,	PUNCT
eurjchem-2498	255	51	c23	c23	PROPN
eurjchem-2498	255	52	,	,	PUNCT
eurjchem-2498	255	53	c24	c24	NOUN
eurjchem-2498	255	54	,	,	PUNCT
eurjchem-2498	255	55	c28	c28	NOUN
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eurjchem-2498	255	59	c32	c32	NOUN
eurjchem-2498	255	60	with	with	ADP
eurjchem-2498	255	61	respect	respect	NOUN
eurjchem-2498	255	62	to	to	ADP
eurjchem-2498	255	63	compounds	compound	NOUN
eurjchem-2498	255	64	1	1	NUM
eurjchem-2498	255	65	and	and	CCONJ
eurjchem-2498	255	66	2	2	NUM
eurjchem-2498	256	1	[	[	SYM
eurjchem-2498	256	2	35	35	NUM
eurjchem-2498	256	3	]	]	PUNCT
eurjchem-2498	256	4	.	.	PUNCT
eurjchem-2498	257	1	the	the	DET
eurjchem-2498	257	2	maximum	maximum	ADJ
eurjchem-2498	257	3	positive	positive	ADJ
eurjchem-2498	257	4	charge	charge	NOUN
eurjchem-2498	257	5	is	be	AUX
eurjchem-2498	257	6	exhibited	exhibit	VERB
eurjchem-2498	257	7	by	by	ADP
eurjchem-2498	257	8	c21	c21	NOUN
eurjchem-2498	257	9	on	on	ADP
eurjchem-2498	257	10	compound	compound	PROPN
eurjchem-2498	257	11	1	1	NUM
eurjchem-2498	257	12	and	and	CCONJ
eurjchem-2498	257	13	c26	c26	NOUN
eurjchem-2498	257	14	on	on	ADP
eurjchem-2498	257	15	compound	compound	NOUN
eurjchem-2498	257	16	2	2	NUM
eurjchem-2498	257	17	and	and	CCONJ
eurjchem-2498	257	18	is	be	AUX
eurjchem-2498	257	19	attributed	attribute	VERB
eurjchem-2498	257	20	to	to	ADP
eurjchem-2498	257	21	the	the	DET
eurjchem-2498	257	22	presence	presence	NOUN
eurjchem-2498	257	23	of	of	ADP
eurjchem-2498	257	24	a	a	DET
eurjchem-2498	257	25	hydroxyl	hydroxyl	NOUN
eurjchem-2498	257	26	group	group	NOUN
eurjchem-2498	257	27	adjacent	adjacent	ADJ
eurjchem-2498	257	28	to	to	PART
eurjchem-2498	257	29	carbon	carbon	NOUN
eurjchem-2498	257	30	and	and	CCONJ
eurjchem-2498	257	31	attachment	attachment	NOUN
eurjchem-2498	257	32	of	of	ADP
eurjchem-2498	257	33	imine	imine	ADJ
eurjchem-2498	257	34	carbon	carbon	NOUN
eurjchem-2498	257	35	directly	directly	ADV
eurjchem-2498	257	36	on	on	ADP
eurjchem-2498	257	37	c21and	c21and	PROPN
eurjchem-2498	257	38	c26	c26	PROPN
eurjchem-2498	257	39	.	.	PUNCT
eurjchem-2498	258	1	the	the	DET
eurjchem-2498	258	2	maximum	maximum	ADJ
eurjchem-2498	258	3	positive	positive	ADJ
eurjchem-2498	258	4	charge	charge	NOUN
eurjchem-2498	258	5	is	be	AUX
eurjchem-2498	258	6	due	due	ADJ
eurjchem-2498	258	7	to	to	ADP
eurjchem-2498	258	8	the	the	DET
eurjchem-2498	258	9	electronwithdrawing	electronwithdrawing	NOUN
eurjchem-2498	258	10	effect	effect	NOUN
eurjchem-2498	258	11	of	of	ADP
eurjchem-2498	258	12	oxygen	oxygen	NOUN
eurjchem-2498	258	13	and	and	CCONJ
eurjchem-2498	258	14	nitrogen	nitrogen	NOUN
eurjchem-2498	258	15	,	,	PUNCT
eurjchem-2498	258	16	as	as	ADV
eurjchem-2498	258	17	well	well	ADV
eurjchem-2498	258	18	as	as	ADP
eurjchem-2498	258	19	the	the	DET
eurjchem-2498	258	20	orientation	orientation	NOUN
eurjchem-2498	258	21	of	of	ADP
eurjchem-2498	258	22	the	the	DET
eurjchem-2498	258	23	atoms	atom	NOUN
eurjchem-2498	258	24	.	.	PUNCT
eurjchem-2498	259	1	an	an	DET
eurjchem-2498	259	2	excess	excess	NOUN
eurjchem-2498	259	3	of	of	ADP
eurjchem-2498	259	4	electrons	electron	NOUN
eurjchem-2498	259	5	is	be	AUX
eurjchem-2498	259	6	seen	see	VERB
eurjchem-2498	259	7	on	on	ADP
eurjchem-2498	259	8	c18	c18	NOUN
eurjchem-2498	259	9	,	,	PUNCT
eurjchem-2498	259	10	c16	c16	PROPN
eurjchem-2498	259	11	in	in	ADP
eurjchem-2498	259	12	compound	compound	NOUN
eurjchem-2498	259	13	1	1	NUM
eurjchem-2498	259	14	,	,	PUNCT
eurjchem-2498	259	15	c21	c21	NOUN
eurjchem-2498	259	16	and	and	CCONJ
eurjchem-2498	259	17	c23	c23	PROPN
eurjchem-2498	259	18	in	in	ADP
eurjchem-2498	259	19	their	their	PRON
eurjchem-2498	259	20	counterparts	counterpart	NOUN
eurjchem-2498	259	21	.	.	PUNCT
eurjchem-2498	260	1	this	this	DET
eurjchem-2498	260	2	negative	negative	ADJ
eurjchem-2498	260	3	charge	charge	NOUN
eurjchem-2498	260	4	accumulation	accumulation	NOUN
eurjchem-2498	260	5	may	may	AUX
eurjchem-2498	260	6	be	be	AUX
eurjchem-2498	260	7	due	due	ADJ
eurjchem-2498	260	8	to	to	ADP
eurjchem-2498	260	9	the	the	DET
eurjchem-2498	260	10	π	π	PROPN
eurjchem-2498	260	11	channel	channel	NOUN
eurjchem-2498	260	12	and	and	CCONJ
eurjchem-2498	260	13	the	the	DET
eurjchem-2498	260	14	push	push	NOUN
eurjchem-2498	260	15	-	-	PUNCT
eurjchem-2498	260	16	pull	pull	NOUN
eurjchem-2498	260	17	mechanism	mechanism	NOUN
eurjchem-2498	260	18	of	of	ADP
eurjchem-2498	260	19	the	the	DET
eurjchem-2498	260	20	electrons	electron	NOUN
eurjchem-2498	260	21	.	.	PUNCT
eurjchem-2498	261	1	an	an	DET
eurjchem-2498	261	2	excess	excess	NOUN
eurjchem-2498	261	3	of	of	ADP
eurjchem-2498	261	4	negative	negative	ADJ
eurjchem-2498	261	5	charge	charge	NOUN
eurjchem-2498	261	6	is	be	AUX
eurjchem-2498	261	7	identified	identify	VERB
eurjchem-2498	261	8	on	on	ADP
eurjchem-2498	261	9	c18	c18	NOUN
eurjchem-2498	261	10	,	,	PUNCT
eurjchem-2498	261	11	c6	c6	PROPN
eurjchem-2498	261	12	,	,	PUNCT
eurjchem-2498	261	13	c2	c2	PROPN
eurjchem-2498	261	14	,	,	PUNCT
eurjchem-2498	261	15	c3	c3	PROPN
eurjchem-2498	261	16	,	,	PUNCT
eurjchem-2498	261	17	c16	c16	PROPN
eurjchem-2498	261	18	,	,	PUNCT
eurjchem-2498	261	19	c17	c17	NOUN
eurjchem-2498	261	20	,	,	PUNCT
eurjchem-2498	261	21	c19	c19	PROPN
eurjchem-2498	261	22	,	,	PUNCT
eurjchem-2498	261	23	and	and	CCONJ
eurjchem-2498	261	24	c23	c23	PROPN
eurjchem-2498	261	25	,	,	PUNCT
eurjchem-2498	261	26	which	which	PRON
eurjchem-2498	261	27	is	be	AUX
eurjchem-2498	261	28	due	due	ADJ
eurjchem-2498	261	29	to	to	ADP
eurjchem-2498	261	30	the	the	DET
eurjchem-2498	261	31	π	π	NOUN
eurjchem-2498	261	32	-	-	NOUN
eurjchem-2498	261	33	conjugation	conjugation	NOUN
eurjchem-2498	261	34	of	of	ADP
eurjchem-2498	261	35	electrons	electron	NOUN
eurjchem-2498	261	36	from	from	ADP
eurjchem-2498	261	37	nitrogen	nitrogen	NOUN
eurjchem-2498	261	38	in	in	ADP
eurjchem-2498	261	39	compound	compound	NOUN
eurjchem-2498	261	40	1	1	NUM
eurjchem-2498	261	41	.	.	PUNCT
eurjchem-2498	262	1	this	this	DET
eurjchem-2498	262	2	charge	charge	NOUN
eurjchem-2498	262	3	is	be	AUX
eurjchem-2498	262	4	reversed	reverse	VERB
eurjchem-2498	262	5	in	in	ADP
eurjchem-2498	262	6	compound	compound	NOUN
eurjchem-2498	262	7	2	2	NUM
eurjchem-2498	262	8	,	,	PUNCT
eurjchem-2498	262	9	and	and	CCONJ
eurjchem-2498	262	10	hence	hence	ADV
eurjchem-2498	262	11	,	,	PUNCT
eurjchem-2498	262	12	the	the	DET
eurjchem-2498	262	13	reverse	reverse	NOUN
eurjchem-2498	262	14	of	of	ADP
eurjchem-2498	262	15	the	the	DET
eurjchem-2498	262	16	nucleophilic	nucleophilic	ADJ
eurjchem-2498	262	17	and	and	CCONJ
eurjchem-2498	262	18	electrophilic	electrophilic	ADJ
eurjchem-2498	262	19	centers	center	NOUN
eurjchem-2498	262	20	in	in	ADP
eurjchem-2498	262	21	compound	compound	NOUN
eurjchem-2498	262	22	2	2	NUM
eurjchem-2498	262	23	.	.	PUNCT
eurjchem-2498	263	1	the	the	DET
eurjchem-2498	263	2	reverse	reverse	NOUN
eurjchem-2498	263	3	of	of	ADP
eurjchem-2498	263	4	charge	charge	NOUN
eurjchem-2498	263	5	accounted	account	VERB
eurjchem-2498	263	6	for	for	ADP
eurjchem-2498	263	7	is	be	AUX
eurjchem-2498	263	8	due	due	ADJ
eurjchem-2498	263	9	to	to	ADP
eurjchem-2498	263	10	the	the	DET
eurjchem-2498	263	11	anilide	anilide	ADJ
eurjchem-2498	263	12	functional	functional	NOUN
eurjchem-2498	263	13	in	in	ADP
eurjchem-2498	263	14	place	place	NOUN
eurjchem-2498	263	15	of	of	ADP
eurjchem-2498	263	16	the	the	DET
eurjchem-2498	263	17	aniline	aniline	NOUN
eurjchem-2498	263	18	group	group	NOUN
eurjchem-2498	263	19	.	.	PUNCT
eurjchem-2498	264	1	on	on	ADP
eurjchem-2498	264	2	comparing	compare	VERB
eurjchem-2498	264	3	mulliken	mulliken	PROPN
eurjchem-2498	264	4	and	and	CCONJ
eurjchem-2498	264	5	npa	npa	NOUN
eurjchem-2498	264	6	analyses	analysis	NOUN
eurjchem-2498	264	7	,	,	PUNCT
eurjchem-2498	264	8	the	the	DET
eurjchem-2498	264	9	results	result	NOUN
eurjchem-2498	264	10	obtained	obtain	VERB
eurjchem-2498	264	11	are	be	AUX
eurjchem-2498	264	12	comparable	comparable	ADJ
eurjchem-2498	264	13	with	with	ADP
eurjchem-2498	264	14	a	a	DET
eurjchem-2498	264	15	few	few	ADJ
eurjchem-2498	264	16	exceptions	exception	NOUN
eurjchem-2498	264	17	.	.	PUNCT
eurjchem-2498	265	1	h26	h26	PROPN
eurjchem-2498	265	2	in	in	ADP
eurjchem-2498	265	3	compound	compound	NOUN
eurjchem-2498	265	4	1	1	NUM
eurjchem-2498	265	5	,	,	PUNCT
eurjchem-2498	265	6	h31	h31	ADJ
eurjchem-2498	265	7	in	in	ADP
eurjchem-2498	265	8	compound	compound	NOUN
eurjchem-2498	265	9	2	2	NUM
eurjchem-2498	265	10	show	show	VERB
eurjchem-2498	265	11	higher	high	ADJ
eurjchem-2498	265	12	positive	positive	ADJ
eurjchem-2498	265	13	charge	charge	NOUN
eurjchem-2498	265	14	(	(	PUNCT
eurjchem-2498	265	15	0.3923	0.3923	NUM
eurjchem-2498	265	16	)	)	PUNCT
eurjchem-2498	265	17	mulliken	mulliken	PROPN
eurjchem-2498	265	18	,	,	PUNCT
eurjchem-2498	265	19	(	(	PUNCT
eurjchem-2498	265	20	0.502	0.502	NUM
eurjchem-2498	265	21	)	)	PUNCT
eurjchem-2498	265	22	npa	npa	NOUN
eurjchem-2498	265	23	,	,	PUNCT
eurjchem-2498	265	24	and	and	CCONJ
eurjchem-2498	265	25	(	(	PUNCT
eurjchem-2498	265	26	0.3928	0.3928	NUM
eurjchem-2498	265	27	)	)	PUNCT
eurjchem-2498	265	28	mulliken	mulliken	PROPN
eurjchem-2498	265	29	,	,	PUNCT
eurjchem-2498	265	30	(	(	PUNCT
eurjchem-2498	265	31	0.503	0.503	NUM
eurjchem-2498	265	32	)	)	PUNCT
eurjchem-2498	265	33	npa	npa	NOUN
eurjchem-2498	265	34	,	,	PUNCT
eurjchem-2498	265	35	respectively	respectively	ADV
eurjchem-2498	265	36	[	[	X
eurjchem-2498	265	37	43	43	NUM
eurjchem-2498	265	38	]	]	PUNCT
eurjchem-2498	265	39	.	.	PUNCT
eurjchem-2498	266	1	this	this	PRON
eurjchem-2498	266	2	is	be	AUX
eurjchem-2498	266	3	due	due	ADJ
eurjchem-2498	266	4	to	to	ADP
eurjchem-2498	266	5	the	the	DET
eurjchem-2498	266	6	electronegativity	electronegativity	NOUN
eurjchem-2498	266	7	of	of	ADP
eurjchem-2498	266	8	o26	o26	NOUN
eurjchem-2498	266	9	and	and	CCONJ
eurjchem-2498	266	10	o30	o30	NOUN
eurjchem-2498	266	11	in	in	ADP
eurjchem-2498	266	12	the	the	DET
eurjchem-2498	266	13	respective	respective	ADJ
eurjchem-2498	266	14	compounds	compound	NOUN
eurjchem-2498	266	15	and	and	CCONJ
eurjchem-2498	266	16	also	also	ADV
eurjchem-2498	266	17	to	to	ADP
eurjchem-2498	266	18	the	the	DET
eurjchem-2498	266	19	hydrogen	hydrogen	NOUN
eurjchem-2498	266	20	bonding	bonding	NOUN
eurjchem-2498	266	21	interaction	interaction	NOUN
eurjchem-2498	266	22	between	between	ADP
eurjchem-2498	266	23	o25	o25	NOUN
eurjchem-2498	266	24	-	-	PUNCT
eurjchem-2498	266	25	h26···n29	h26···n29	NOUN
eurjchem-2498	266	26	in	in	ADP
eurjchem-2498	266	27	compound	compound	NOUN
eurjchem-2498	266	28	1	1	NUM
eurjchem-2498	266	29	and	and	CCONJ
eurjchem-2498	266	30	o30h31···n34	o30h31···n34	PROPN
eurjchem-2498	266	31	in	in	ADP
eurjchem-2498	266	32	compound	compound	NOUN
eurjchem-2498	266	33	2	2	NUM
eurjchem-2498	266	34	.	.	PUNCT
eurjchem-2498	267	1	the	the	DET
eurjchem-2498	267	2	intramolecular	intramolecular	ADJ
eurjchem-2498	267	3	interaction	interaction	NOUN
eurjchem-2498	267	4	is	be	AUX
eurjchem-2498	267	5	supported	support	VERB
eurjchem-2498	267	6	by	by	ADP
eurjchem-2498	267	7	an	an	DET
eurjchem-2498	267	8	increase	increase	NOUN
eurjchem-2498	267	9	in	in	ADP
eurjchem-2498	267	10	c	c	NOUN
eurjchem-2498	267	11	=	=	NOUN
eurjchem-2498	267	12	n	n	PRON
eurjchem-2498	267	13	bond	bond	NOUN
eurjchem-2498	267	14	length	length	NOUN
eurjchem-2498	267	15	and	and	CCONJ
eurjchem-2498	267	16	a	a	DET
eurjchem-2498	267	17	decrease	decrease	NOUN
eurjchem-2498	267	18	in	in	ADP
eurjchem-2498	267	19	the	the	DET
eurjchem-2498	267	20	c	c	PROPN
eurjchem-2498	267	21	=	=	NOUN
eurjchem-2498	267	22	n	n	NOUN
eurjchem-2498	267	23	stretching	stretch	VERB
eurjchem-2498	267	24	frequency	frequency	NOUN
eurjchem-2498	267	25	.	.	PUNCT
eurjchem-2498	268	1	c27	c27	NOUN
eurjchem-2498	268	2	-	-	PUNCT
eurjchem-2498	268	3	n29	n29	NOUN
eurjchem-2498	268	4	(	(	PUNCT
eurjchem-2498	268	5	1.294	1.294	NUM
eurjchem-2498	268	6	å	å	PROPN
eurjchem-2498	268	7	,	,	PUNCT
eurjchem-2498	268	8	1602	1602	NUM
eurjchem-2498	268	9	cm-1	cm-1	NOUN
eurjchem-2498	268	10	)	)	PUNCT
eurjchem-2498	268	11	,	,	PUNCT
eurjchem-2498	268	12	c32	c32	NOUN
eurjchem-2498	268	13	-	-	PUNCT
eurjchem-2498	268	14	n34	n34	NOUN
eurjchem-2498	268	15	(	(	PUNCT
eurjchem-2498	268	16	1.2936	1.2936	NUM
eurjchem-2498	268	17	å	å	NOUN
eurjchem-2498	268	18	,	,	PUNCT
eurjchem-2498	268	19	1588	1588	NUM
eurjchem-2498	268	20	cm-1	cm-1	NOUN
eurjchem-2498	268	21	)	)	PUNCT
eurjchem-2498	268	22	,	,	PUNCT
eurjchem-2498	268	23	and	and	CCONJ
eurjchem-2498	268	24	also	also	ADV
eurjchem-2498	268	25	decreased	decrease	VERB
eurjchem-2498	268	26	in	in	ADP
eurjchem-2498	268	27	o	o	ADJ
eurjchem-2498	268	28	-	-	ADJ
eurjchem-2498	268	29	h	h	ADJ
eurjchem-2498	268	30	stretching	stretch	VERB
eurjchem-2498	268	31	frequency	frequency	NOUN
eurjchem-2498	268	32	(	(	PUNCT
eurjchem-2498	268	33	o25	o25	VERB
eurjchem-2498	268	34	-	-	ADJ
eurjchem-2498	268	35	h26	h26	ADJ
eurjchem-2498	268	36	3279	3279	NUM
eurjchem-2498	268	37	cm-1	cm-1	NOUN
eurjchem-2498	268	38	)	)	PUNCT
eurjchem-2498	268	39	,	,	PUNCT
eurjchem-2498	268	40	(	(	PUNCT
eurjchem-2498	268	41	o30	o30	NOUN
eurjchem-2498	268	42	-	-	PUNCT
eurjchem-2498	268	43	h31	h31	NOUN
eurjchem-2498	268	44	3296	3296	NUM
eurjchem-2498	268	45	cm1	cm1	NOUN
eurjchem-2498	268	46	)	)	PUNCT
eurjchem-2498	268	47	in	in	ADP
eurjchem-2498	268	48	compounds	compound	NOUN
eurjchem-2498	268	49	1	1	NUM
eurjchem-2498	268	50	and	and	CCONJ
eurjchem-2498	268	51	2	2	NUM
eurjchem-2498	268	52	,	,	PUNCT
eurjchem-2498	268	53	respectively	respectively	ADV
eurjchem-2498	268	54	.	.	PUNCT
eurjchem-2498	269	1	3.6	3.6	NUM
eurjchem-2498	269	2	.	.	PUNCT
eurjchem-2498	270	1	nbo	nbo	PROPN
eurjchem-2498	270	2	analysis	analysis	NOUN
eurjchem-2498	270	3	the	the	DET
eurjchem-2498	270	4	second	second	ADJ
eurjchem-2498	270	5	-	-	PUNCT
eurjchem-2498	270	6	order	order	NOUN
eurjchem-2498	270	7	fock	fock	ADJ
eurjchem-2498	270	8	matrix	matrix	NOUN
eurjchem-2498	270	9	evaluated	evaluate	VERB
eurjchem-2498	270	10	donor	donor	NOUN
eurjchem-2498	270	11	-	-	PUNCT
eurjchem-2498	270	12	acceptor	acceptor	NOUN
eurjchem-2498	270	13	interactions	interaction	NOUN
eurjchem-2498	270	14	on	on	ADP
eurjchem-2498	270	15	the	the	DET
eurjchem-2498	270	16	basis	basis	NOUN
eurjchem-2498	270	17	of	of	ADP
eurjchem-2498	270	18	nbo	nbo	PROPN
eurjchem-2498	270	19	[	[	X
eurjchem-2498	270	20	44	44	NUM
eurjchem-2498	270	21	]	]	PUNCT
eurjchem-2498	270	22	.	.	PUNCT
eurjchem-2498	271	1	the	the	DET
eurjchem-2498	271	2	interactions	interaction	NOUN
eurjchem-2498	271	3	result	result	VERB
eurjchem-2498	271	4	in	in	ADP
eurjchem-2498	271	5	a	a	DET
eurjchem-2498	271	6	loss	loss	NOUN
eurjchem-2498	271	7	of	of	ADP
eurjchem-2498	271	8	occupancy	occupancy	NOUN
eurjchem-2498	271	9	from	from	ADP
eurjchem-2498	271	10	the	the	DET
eurjchem-2498	271	11	localized	localize	VERB
eurjchem-2498	271	12	nbo	nbo	NOUN
eurjchem-2498	271	13	of	of	ADP
eurjchem-2498	271	14	the	the	DET
eurjchem-2498	271	15	idealized	idealize	VERB
eurjchem-2498	271	16	lewis	lewis	PROPN
eurjchem-2498	271	17	structure	structure	NOUN
eurjchem-2498	271	18	into	into	ADP
eurjchem-2498	271	19	an	an	DET
eurjchem-2498	271	20	empty	empty	ADJ
eurjchem-2498	271	21	non	non	ADJ
eurjchem-2498	271	22	-	-	ADJ
eurjchem-2498	271	23	lewis	lewis	ADJ
eurjchem-2498	271	24	orbital	orbital	NOUN
eurjchem-2498	271	25	.	.	PUNCT
eurjchem-2498	272	1	for	for	ADP
eurjchem-2498	272	2	each	each	DET
eurjchem-2498	272	3	donor	donor	NOUN
eurjchem-2498	272	4	(	(	PUNCT
eurjchem-2498	272	5	i	i	NOUN
eurjchem-2498	272	6	)	)	PUNCT
eurjchem-2498	272	7	and	and	CCONJ
eurjchem-2498	272	8	acceptor	acceptor	NOUN
eurjchem-2498	272	9	(	(	PUNCT
eurjchem-2498	272	10	j	j	PROPN
eurjchem-2498	272	11	)	)	PUNCT
eurjchem-2498	272	12	,	,	PUNCT
eurjchem-2498	272	13	the	the	DET
eurjchem-2498	272	14	stabilization	stabilization	NOUN
eurjchem-2498	272	15	energy	energy	NOUN
eurjchem-2498	272	16	e(2	e(2	NOUN
eurjchem-2498	272	17	)	)	PUNCT
eurjchem-2498	272	18	associated	associate	VERB
eurjchem-2498	272	19	with	with	ADP
eurjchem-2498	272	20	the	the	DET
eurjchem-2498	272	21	delocalization	delocalization	NOUN
eurjchem-2498	272	22	i	i	PROPN
eurjchem-2498	272	23	-	-	PUNCT
eurjchem-2498	272	24	j	j	PROPN
eurjchem-2498	272	25	is	be	AUX
eurjchem-2498	272	26	estimated	estimate	VERB
eurjchem-2498	272	27	[	[	X
eurjchem-2498	272	28	45	45	NUM
eurjchem-2498	272	29	]	]	PUNCT
eurjchem-2498	272	30	.	.	PUNCT
eurjchem-2498	273	1	in	in	ADP
eurjchem-2498	273	2	the	the	DET
eurjchem-2498	273	3	nbo	nbo	PROPN
eurjchem-2498	273	4	analysis	analysis	NOUN
eurjchem-2498	273	5	,	,	PUNCT
eurjchem-2498	273	6	a	a	DET
eurjchem-2498	273	7	large	large	ADJ
eurjchem-2498	273	8	value	value	NOUN
eurjchem-2498	273	9	of	of	ADP
eurjchem-2498	273	10	e(2	e(2	NOUN
eurjchem-2498	273	11	)	)	PUNCT
eurjchem-2498	273	12	shows	show	VERB
eurjchem-2498	273	13	the	the	DET
eurjchem-2498	273	14	intensive	intensive	ADJ
eurjchem-2498	273	15	interaction	interaction	NOUN
eurjchem-2498	273	16	between	between	ADP
eurjchem-2498	273	17	electron	electron	NOUN
eurjchem-2498	273	18	donors	donor	NOUN
eurjchem-2498	273	19	and	and	CCONJ
eurjchem-2498	273	20	electron	electron	NOUN
eurjchem-2498	273	21	acceptors	acceptor	NOUN
eurjchem-2498	273	22	and	and	CCONJ
eurjchem-2498	273	23	the	the	DET
eurjchem-2498	273	24	greater	great	ADJ
eurjchem-2498	273	25	degree	degree	NOUN
eurjchem-2498	273	26	of	of	ADP
eurjchem-2498	273	27	conjugation	conjugation	NOUN
eurjchem-2498	273	28	in	in	ADP
eurjchem-2498	273	29	the	the	DET
eurjchem-2498	273	30	whole	whole	ADJ
eurjchem-2498	273	31	system	system	NOUN
eurjchem-2498	273	32	(	(	PUNCT
eurjchem-2498	273	33	tables	table	NOUN
eurjchem-2498	273	34	8	8	NUM
eurjchem-2498	273	35	and	and	CCONJ
eurjchem-2498	273	36	9	9	NUM
eurjchem-2498	273	37	)	)	PUNCT
eurjchem-2498	273	38	.	.	PUNCT
eurjchem-2498	274	1	π*c21	π*c21	X
eurjchem-2498	274	2	-	-	PUNCT
eurjchem-2498	274	3	c23	c23	PROPN
eurjchem-2498	274	4	to	to	ADP
eurjchem-2498	274	5	π*c16	π*c16	NOUN
eurjchem-2498	274	6	-	-	PUNCT
eurjchem-2498	274	7	c18	c18	NOUN
eurjchem-2498	274	8	and	and	CCONJ
eurjchem-2498	274	9	π*c27	π*c27	NOUN
eurjchem-2498	274	10	-	-	NOUN
eurjchem-2498	274	11	c29	c29	NOUN
eurjchem-2498	274	12	to	to	ADP
eurjchem-2498	274	13	π*c21	π*c21	PROPN
eurjchem-2498	274	14	-	-	PUNCT
eurjchem-2498	274	15	c23	c23	PROPN
eurjchem-2498	274	16	are	be	AUX
eurjchem-2498	274	17	intensive	intensive	ADJ
eurjchem-2498	274	18	interactions	interaction	NOUN
eurjchem-2498	274	19	in	in	ADP
eurjchem-2498	274	20	compound	compound	NOUN
eurjchem-2498	274	21	1	1	NUM
eurjchem-2498	274	22	and	and	CCONJ
eurjchem-2498	274	23	in	in	ADP
eurjchem-2498	274	24	compound	compound	NOUN
eurjchem-2498	274	25	2	2	NUM
eurjchem-2498	274	26	it	it	PRON
eurjchem-2498	274	27	is	be	AUX
eurjchem-2498	274	28	found	find	VERB
eurjchem-2498	274	29	to	to	PART
eurjchem-2498	274	30	be	be	AUX
eurjchem-2498	274	31	π*c1	π*c1	NOUN
eurjchem-2498	274	32	-	-	PUNCT
eurjchem-2498	274	33	c6	c6	PROPN
eurjchem-2498	274	34	to	to	ADP
eurjchem-2498	274	35	π*c4	π*c4	NOUN
eurjchem-2498	274	36	-	-	PUNCT
eurjchem-2498	274	37	c5	c5	PROPN
eurjchem-2498	274	38	and	and	CCONJ
eurjchem-2498	274	39	π*c37c38	π*c37c38	PROPN
eurjchem-2498	274	40	to	to	ADP
eurjchem-2498	274	41	π*c40	π*c40	ADJ
eurjchem-2498	274	42	-	-	PUNCT
eurjchem-2498	274	43	c44	c44	NOUN
eurjchem-2498	274	44	.	.	PUNCT
eurjchem-2498	275	1	between	between	ADP
eurjchem-2498	275	2	the	the	DET
eurjchem-2498	275	3	two	two	NUM
eurjchem-2498	275	4	molecules	molecule	NOUN
eurjchem-2498	275	5	under	under	ADP
eurjchem-2498	275	6	study	study	NOUN
eurjchem-2498	275	7	,	,	PUNCT
eurjchem-2498	275	8	compound	compound	NOUN
eurjchem-2498	275	9	1	1	NUM
eurjchem-2498	275	10	shows	show	VERB
eurjchem-2498	275	11	the	the	DET
eurjchem-2498	275	12	strongest	strong	ADJ
eurjchem-2498	275	13	interaction	interaction	NOUN
eurjchem-2498	275	14	.	.	PUNCT
eurjchem-2498	276	1	intramolecular	intramolecular	ADJ
eurjchem-2498	276	2	hyperconjugative	hyperconjugative	ADJ
eurjchem-2498	276	3	interactions	interaction	NOUN
eurjchem-2498	276	4	are	be	AUX
eurjchem-2498	276	5	formed	form	VERB
eurjchem-2498	276	6	by	by	ADP
eurjchem-2498	276	7	orbital	orbital	ADJ
eurjchem-2498	276	8	overlap	overlap	NOUN
eurjchem-2498	276	9	between	between	ADP
eurjchem-2498	276	10	the	the	DET
eurjchem-2498	276	11	π(c	π(c	PROPN
eurjchem-2498	276	12	-	-	PUNCT
eurjchem-2498	276	13	c	c	NOUN
eurjchem-2498	276	14	)	)	PUNCT
eurjchem-2498	276	15	bonding	bond	VERB
eurjchem-2498	276	16	molecular	molecular	ADJ
eurjchem-2498	276	17	orbital	orbital	NOUN
eurjchem-2498	276	18	and	and	CCONJ
eurjchem-2498	276	19	the	the	DET
eurjchem-2498	276	20	π*(c	π*(c	PROPN
eurjchem-2498	276	21	-	-	PUNCT
eurjchem-2498	276	22	c	c	NOUN
eurjchem-2498	276	23	)	)	PUNCT
eurjchem-2498	276	24	anti	anti	ADJ
eurjchem-2498	276	25	-	-	ADJ
eurjchem-2498	276	26	bonding	bonding	ADJ
eurjchem-2498	276	27	molecular	molecular	ADJ
eurjchem-2498	276	28	orbital	orbital	NOUN
eurjchem-2498	276	29	of	of	ADP
eurjchem-2498	276	30	the	the	DET
eurjchem-2498	276	31	phenyl	phenyl	NOUN
eurjchem-2498	276	32	ring	ring	NOUN
eurjchem-2498	276	33	of	of	ADP
eurjchem-2498	276	34	the	the	DET
eurjchem-2498	276	35	title	title	NOUN
eurjchem-2498	276	36	molecule	molecule	NOUN
eurjchem-2498	276	37	[	[	X
eurjchem-2498	276	38	46,47	46,47	NUM
eurjchem-2498	276	39	]	]	X
eurjchem-2498	276	40	.	.	PUNCT
eurjchem-2498	277	1	for	for	ADP
eurjchem-2498	277	2	compound	compound	NOUN
eurjchem-2498	277	3	1	1	NUM
eurjchem-2498	277	4	donors	donor	NOUN
eurjchem-2498	277	5	,	,	PUNCT
eurjchem-2498	277	6	c16	c16	PROPN
eurjchem-2498	277	7	-	-	PUNCT
eurjchem-2498	277	8	c18	c18	NOUN
eurjchem-2498	277	9	,	,	PUNCT
eurjchem-2498	277	10	c16	c16	PROPN
eurjchem-2498	277	11	-	-	PUNCT
eurjchem-2498	277	12	c18	c18	NOUN
eurjchem-2498	277	13	,	,	PUNCT
eurjchem-2498	277	14	c17	c17	NOUN
eurjchem-2498	277	15	-	-	PUNCT
eurjchem-2498	277	16	c19	c19	NOUN
eurjchem-2498	277	17	,	,	PUNCT
eurjchem-2498	277	18	c17	c17	NOUN
eurjchem-2498	277	19	-	-	PUNCT
eurjchem-2498	277	20	c19	c19	PROPN
eurjchem-2498	277	21	,	,	PUNCT
eurjchem-2498	277	22	c21	c21	NOUN
eurjchem-2498	277	23	-	-	PUNCT
eurjchem-2498	277	24	c23	c23	PROPN
eurjchem-2498	277	25	,	,	PUNCT
eurjchem-2498	277	26	c21	c21	PROPN
eurjchem-2498	277	27	c23	c23	PROPN
eurjchem-2498	277	28	,	,	PUNCT
eurjchem-2498	277	29	c32	c32	NOUN
eurjchem-2498	277	30	-	-	PUNCT
eurjchem-2498	277	31	c34	c34	NOUN
eurjchem-2498	277	32	,	,	PUNCT
eurjchem-2498	277	33	c32	c32	NOUN
eurjchem-2498	277	34	-	-	PUNCT
eurjchem-2498	277	35	c34	c34	NOUN
eurjchem-2498	277	36	,	,	PUNCT
eurjchem-2498	277	37	c33	c33	NOUN
eurjchem-2498	277	38	-	-	PUNCT
eurjchem-2498	277	39	c35	c35	NOUN
eurjchem-2498	277	40	,	,	PUNCT
eurjchem-2498	277	41	c33	c33	NOUN
eurjchem-2498	277	42	-	-	PUNCT
eurjchem-2498	277	43	c35	c35	NOUN
eurjchem-2498	277	44	,	,	PUNCT
eurjchem-2498	277	45	c37	c37	NOUN
eurjchem-2498	277	46	-	-	PUNCT
eurjchem-2498	277	47	c39	c39	NOUN
eurjchem-2498	277	48	,	,	PUNCT
eurjchem-2498	277	49	c37	c37	NOUN
eurjchem-2498	277	50	-	-	PUNCT
eurjchem-2498	277	51	c39	c39	NOUN
eurjchem-2498	277	52	,	,	PUNCT
eurjchem-2498	277	53	the	the	DET
eurjchem-2498	277	54	corresponding	correspond	VERB
eurjchem-2498	277	55	acceptors	acceptor	NOUN
eurjchem-2498	277	56	are	be	AUX
eurjchem-2498	277	57	c17	c17	NOUN
eurjchem-2498	277	58	-	-	PUNCT
eurjchem-2498	277	59	c19	c19	NOUN
eurjchem-2498	277	60	,	,	PUNCT
eurjchem-2498	277	61	c21	c21	NOUN
eurjchem-2498	277	62	-	-	PUNCT
eurjchem-2498	277	63	c23	c23	PROPN
eurjchem-2498	277	64	,	,	PUNCT
eurjchem-2498	277	65	c16	c16	PROPN
eurjchem-2498	277	66	-	-	PUNCT
eurjchem-2498	277	67	c18	c18	NOUN
eurjchem-2498	277	68	,	,	PUNCT
eurjchem-2498	277	69	c21	c21	NOUN
eurjchem-2498	277	70	-	-	PUNCT
eurjchem-2498	277	71	c23	c23	PROPN
eurjchem-2498	277	72	,	,	PUNCT
eurjchem-2498	277	73	c27	c27	NOUN
eurjchem-2498	277	74	-	-	PUNCT
eurjchem-2498	277	75	n29	n29	NOUN
eurjchem-2498	277	76	,	,	PUNCT
eurjchem-2498	277	77	c17	c17	NOUN
eurjchem-2498	277	78	-	-	PUNCT
eurjchem-2498	277	79	c19	c19	PROPN
eurjchem-2498	277	80	,	,	PUNCT
eurjchem-2498	277	81	c27	c27	NOUN
eurjchem-2498	277	82	-	-	PUNCT
eurjchem-2498	277	83	n29	n29	NOUN
eurjchem-2498	277	84	,	,	PUNCT
eurjchem-2498	277	85	c33	c33	NOUN
eurjchem-2498	277	86	-	-	PUNCT
eurjchem-2498	277	87	c35	c35	NOUN
eurjchem-2498	277	88	,	,	PUNCT
eurjchem-2498	277	89	c37	c37	NOUN
eurjchem-2498	277	90	-	-	PUNCT
eurjchem-2498	277	91	c39	c39	NOUN
eurjchem-2498	277	92	,	,	PUNCT
eurjchem-2498	277	93	c32c34	c32c34	NOUN
eurjchem-2498	277	94	,	,	PUNCT
eurjchem-2498	277	95	c37	c37	NOUN
eurjchem-2498	277	96	-	-	PUNCT
eurjchem-2498	277	97	c39	c39	NOUN
eurjchem-2498	277	98	,	,	PUNCT
eurjchem-2498	277	99	c32	c32	NOUN
eurjchem-2498	277	100	-	-	PUNCT
eurjchem-2498	277	101	c34	c34	NOUN
eurjchem-2498	277	102	,	,	PUNCT
eurjchem-2498	277	103	c33	c33	NOUN
eurjchem-2498	277	104	-	-	PUNCT
eurjchem-2498	277	105	c35	c35	NOUN
eurjchem-2498	277	106	,	,	PUNCT
eurjchem-2498	277	107	and	and	CCONJ
eurjchem-2498	277	108	their	their	PRON
eurjchem-2498	277	109	second	second	ADJ
eurjchem-2498	277	110	order	order	NOUN
eurjchem-2498	277	111	perturbation	perturbation	NOUN
eurjchem-2498	277	112	energy	energy	NOUN
eurjchem-2498	277	113	values	value	NOUN
eurjchem-2498	277	114	are	be	AUX
eurjchem-2498	277	115	20.37	20.37	NUM
eurjchem-2498	277	116	,	,	PUNCT
eurjchem-2498	277	117	17.06	17.06	NUM
eurjchem-2498	277	118	,	,	PUNCT
eurjchem-2498	277	119	18.53	18.53	NUM
eurjchem-2498	277	120	,	,	PUNCT
eurjchem-2498	277	121	21.69	21.69	NUM
eurjchem-2498	277	122	,	,	PUNCT
eurjchem-2498	277	123	21.19	21.19	NUM
eurjchem-2498	277	124	,	,	PUNCT
eurjchem-2498	277	125	62	62	NUM
eurjchem-2498	277	126	siluvairaj	siluvairaj	VERB
eurjchem-2498	277	127	et	et	PROPN
eurjchem-2498	277	128	al	al	PROPN
eurjchem-2498	277	129	.	.	PUNCT
eurjchem-2498	277	130	/	/	SYM
eurjchem-2498	277	131	european	european	PROPN
eurjchem-2498	277	132	journal	journal	PROPN
eurjchem-2498	277	133	of	of	ADP
eurjchem-2498	277	134	chemistry	chemistry	NOUN
eurjchem-2498	277	135	15	15	NUM
eurjchem-2498	277	136	(	(	PUNCT
eurjchem-2498	277	137	1	1	NUM
eurjchem-2498	277	138	)	)	PUNCT
eurjchem-2498	277	139	(	(	PUNCT
eurjchem-2498	277	140	2024	2024	NUM
eurjchem-2498	277	141	)	)	PUNCT
eurjchem-2498	277	142	50	50	NUM
eurjchem-2498	277	143	-	-	SYM
eurjchem-2498	277	144	70	70	NUM
eurjchem-2498	277	145	2024	2024	NUM
eurjchem-2498	277	146	–	–	PUNCT
eurjchem-2498	277	147	european	european	ADJ
eurjchem-2498	277	148	journal	journal	NOUN
eurjchem-2498	277	149	of	of	ADP
eurjchem-2498	277	150	chemistry	chemistry	NOUN
eurjchem-2498	277	151	–	–	PUNCT
eurjchem-2498	277	152	cc	cc	NOUN
eurjchem-2498	277	153	by	by	ADP
eurjchem-2498	277	154	nc	nc	PROPN
eurjchem-2498	277	155	–	–	PUNCT
eurjchem-2498	277	156	doi	doi	NOUN
eurjchem-2498	277	157	:	:	PUNCT
eurjchem-2498	277	158	10.5155	10.5155	NUM
eurjchem-2498	277	159	/	/	SYM
eurjchem-2498	277	160	eurjchem.15.1.50	eurjchem.15.1.50	ADJ
eurjchem-2498	277	161	-	-	SYM
eurjchem-2498	277	162	70.2498	70.2498	NUM
eurjchem-2498	277	163	table	table	NOUN
eurjchem-2498	277	164	9	9	NUM
eurjchem-2498	277	165	.	.	PUNCT
eurjchem-2498	277	166	second	second	ADJ
eurjchem-2498	277	167	-	-	PUNCT
eurjchem-2498	277	168	order	order	NOUN
eurjchem-2498	277	169	perturbation	perturbation	NOUN
eurjchem-2498	277	170	theory	theory	NOUN
eurjchem-2498	277	171	analysis	analysis	NOUN
eurjchem-2498	277	172	of	of	ADP
eurjchem-2498	277	173	fock	fock	ADJ
eurjchem-2498	277	174	-	-	PUNCT
eurjchem-2498	277	175	matrix	matrix	NOUN
eurjchem-2498	277	176	in	in	ADP
eurjchem-2498	277	177	nbo	nbo	PROPN
eurjchem-2498	277	178	basis	basis	NOUN
eurjchem-2498	277	179	for	for	ADP
eurjchem-2498	277	180	compound	compound	NOUN
eurjchem-2498	277	181	2	2	NUM
eurjchem-2498	277	182	.	.	PUNCT
eurjchem-2498	277	183	donor	donor	NOUN
eurjchem-2498	277	184	occupancy	occupancy	NOUN
eurjchem-2498	277	185	acceptor	acceptor	NOUN
eurjchem-2498	277	186	e(2	e(2	PROPN
eurjchem-2498	277	187	)	)	PUNCT
eurjchem-2498	277	188	,	,	PUNCT
eurjchem-2498	277	189	kcal	kcal	PROPN
eurjchem-2498	277	190	/	/	SYM
eurjchem-2498	277	191	mol	mol	ADP
eurjchem-2498	277	192	ej	ej	PROPN
eurjchem-2498	277	193	-	-	PUNCT
eurjchem-2498	277	194	ei	ei	PROPN
eurjchem-2498	277	195	,	,	PUNCT
eurjchem-2498	277	196	a.u	a.u	PROPN
eurjchem-2498	277	197	.	.	PROPN
eurjchem-2498	277	198	f(i	f(i	PROPN
eurjchem-2498	277	199	,	,	PUNCT
eurjchem-2498	277	200	j	j	PROPN
eurjchem-2498	277	201	)	)	PUNCT
eurjchem-2498	277	202	,	,	PUNCT
eurjchem-2498	277	203	a.u	a.u	PROPN
eurjchem-2498	277	204	.	.	PROPN
eurjchem-2498	277	205	πc1	πc1	PROPN
eurjchem-2498	277	206	-	-	PUNCT
eurjchem-2498	277	207	c6	c6	PROPN
eurjchem-2498	277	208	1.6439	1.6439	NUM
eurjchem-2498	277	209	π*c2	π*c2	NOUN
eurjchem-2498	277	210	-	-	PUNCT
eurjchem-2498	277	211	c3	c3	NOUN
eurjchem-2498	277	212	21.93	21.93	NUM
eurjchem-2498	277	213	0.29	0.29	NUM
eurjchem-2498	277	214	0.072	0.072	NUM
eurjchem-2498	277	215	πc1	πc1	PROPN
eurjchem-2498	277	216	-	-	PUNCT
eurjchem-2498	277	217	c6	c6	PROPN
eurjchem-2498	277	218	1.6439	1.6439	NUM
eurjchem-2498	277	219	π*c4	π*c4	PROPN
eurjchem-2498	277	220	-	-	PUNCT
eurjchem-2498	277	221	c5	c5	PROPN
eurjchem-2498	277	222	16.76	16.76	NUM
eurjchem-2498	277	223	0.29	0.29	NUM
eurjchem-2498	277	224	0.064	0.064	NUM
eurjchem-2498	277	225	πc2	πc2	X
eurjchem-2498	277	226	-	-	PUNCT
eurjchem-2498	277	227	c3	c3	X
eurjchem-2498	277	228	1.6087	1.6087	NUM
eurjchem-2498	277	229	π*c1	π*c1	PROPN
eurjchem-2498	277	230	-	-	PUNCT
eurjchem-2498	277	231	c6	c6	PROPN
eurjchem-2498	277	232	20.19	20.19	NUM
eurjchem-2498	277	233	0.27	0.27	NUM
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eurjchem-2498	277	235	πc2	πc2	NOUN
eurjchem-2498	277	236	-	-	PUNCT
eurjchem-2498	277	237	c3	c3	X
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eurjchem-2498	277	239	π*c4	π*c4	PROPN
eurjchem-2498	277	240	-	-	PUNCT
eurjchem-2498	277	241	c5	c5	PROPN
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eurjchem-2498	277	243	0.28	0.28	NUM
eurjchem-2498	277	244	0.070	0.070	NUM
eurjchem-2498	277	245	πc2	πc2	NOUN
eurjchem-2498	277	246	-	-	PUNCT
eurjchem-2498	277	247	c3	c3	X
eurjchem-2498	277	248	1.6087	1.6087	NUM
eurjchem-2498	277	249	π*n19	π*n19	NOUN
eurjchem-2498	277	250	-	-	NOUN
eurjchem-2498	277	251	n20	n20	NOUN
eurjchem-2498	277	252	20.03	20.03	NUM
eurjchem-2498	277	253	0.24	0.24	NUM
eurjchem-2498	277	254	0.064	0.064	NUM
eurjchem-2498	277	255	πc4	πc4	NOUN
eurjchem-2498	277	256	-	-	PUNCT
eurjchem-2498	277	257	c5	c5	PROPN
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eurjchem-2498	277	259	π*c1	π*c1	PROPN
eurjchem-2498	277	260	-	-	PUNCT
eurjchem-2498	277	261	c6	c6	PROPN
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eurjchem-2498	277	264	0.070	0.070	NUM
eurjchem-2498	277	265	πc4	πc4	NOUN
eurjchem-2498	277	266	-	-	PUNCT
eurjchem-2498	277	267	c5	c5	PROPN
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eurjchem-2498	277	269	π*c2	π*c2	NOUN
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eurjchem-2498	277	271	c3	c3	NOUN
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eurjchem-2498	277	275	πn19	πn19	PROPN
eurjchem-2498	277	276	-	-	PUNCT
eurjchem-2498	277	277	n20	n20	NOUN
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eurjchem-2498	277	279	π*c2	π*c2	NOUN
eurjchem-2498	277	280	-	-	PUNCT
eurjchem-2498	277	281	c3	c3	NOUN
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eurjchem-2498	277	283	0.39	0.39	NUM
eurjchem-2498	277	284	0.062	0.062	NUM
eurjchem-2498	277	285	πc21	πc21	PROPN
eurjchem-2498	277	286	-	-	PUNCT
eurjchem-2498	277	287	c23	c23	PROPN
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eurjchem-2498	277	289	π*n19	π*n19	NOUN
eurjchem-2498	277	290	-	-	NOUN
eurjchem-2498	277	291	n20	n20	NOUN
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eurjchem-2498	277	294	0.058	0.058	NUM
eurjchem-2498	277	295	πc21	πc21	PROPN
eurjchem-2498	277	296	-	-	PUNCT
eurjchem-2498	277	297	c23	c23	PROPN
eurjchem-2498	277	298	1.6119	1.6119	NUM
eurjchem-2498	277	299	π*c22	π*c22	NOUN
eurjchem-2498	277	300	-	-	PUNCT
eurjchem-2498	277	301	c24	c24	NOUN
eurjchem-2498	277	302	21.27	21.27	NUM
eurjchem-2498	277	303	0.28	0.28	NUM
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eurjchem-2498	277	305	πc37	πc37	PROPN
eurjchem-2498	277	306	-	-	PUNCT
eurjchem-2498	277	307	c38	c38	NOUN
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eurjchem-2498	277	309	π*c39	π*c39	PROPN
eurjchem-2498	277	310	-	-	PUNCT
eurjchem-2498	277	311	c42	c42	VERB
eurjchem-2498	277	312	16.89	16.89	NUM
eurjchem-2498	277	313	0.29	0.29	NUM
eurjchem-2498	277	314	0.063	0.063	NUM
eurjchem-2498	277	315	πc37	πc37	PROPN
eurjchem-2498	277	316	-	-	PUNCT
eurjchem-2498	277	317	c38	c38	NOUN
eurjchem-2498	277	318	1.6404	1.6404	NUM
eurjchem-2498	277	319	π*c40	π*c40	PROPN
eurjchem-2498	277	320	-	-	PUNCT
eurjchem-2498	277	321	c44	c44	NOUN
eurjchem-2498	277	322	22.24	22.24	NUM
eurjchem-2498	277	323	0.30	0.30	NUM
eurjchem-2498	277	324	0.073	0.073	NUM
eurjchem-2498	277	325	πc39	πc39	PROPN
eurjchem-2498	277	326	-	-	PUNCT
eurjchem-2498	277	327	c42	c42	VERB
eurjchem-2498	277	328	1.7080	1.7080	NUM
eurjchem-2498	277	329	π*c37	π*c37	NOUN
eurjchem-2498	277	330	-	-	PUNCT
eurjchem-2498	277	331	c38	c38	NOUN
eurjchem-2498	277	332	21.31	21.31	NUM
eurjchem-2498	277	333	0.28	0.28	NUM
eurjchem-2498	277	334	0.071	0.071	NUM
eurjchem-2498	277	335	πc39	πc39	PROPN
eurjchem-2498	277	336	-	-	PUNCT
eurjchem-2498	277	337	c42	c42	VERB
eurjchem-2498	277	338	1.7080	1.7080	NUM
eurjchem-2498	277	339	π*c40	π*c40	PROPN
eurjchem-2498	277	340	-	-	PUNCT
eurjchem-2498	277	341	c44	c44	NOUN
eurjchem-2498	277	342	16.18	16.18	NUM
eurjchem-2498	277	343	0.30	0.30	NUM
eurjchem-2498	277	344	0.063	0.063	NUM
eurjchem-2498	277	345	πc40	πc40	PROPN
eurjchem-2498	277	346	-	-	PUNCT
eurjchem-2498	277	347	c44	c44	VERB
eurjchem-2498	277	348	1.6673	1.6673	NUM
eurjchem-2498	277	349	π*c37	π*c37	NOUN
eurjchem-2498	277	350	-	-	PUNCT
eurjchem-2498	277	351	c38	c38	NOUN
eurjchem-2498	277	352	19.21	19.21	NUM
eurjchem-2498	277	353	0.27	0.27	NUM
eurjchem-2498	277	354	0.066	0.066	NUM
eurjchem-2498	277	355	πc40	πc40	PROPN
eurjchem-2498	277	356	-	-	PUNCT
eurjchem-2498	277	357	c44	c44	VERB
eurjchem-2498	277	358	1.6673	1.6673	NUM
eurjchem-2498	277	359	π*c39	π*c39	NOUN
eurjchem-2498	277	360	-	-	PUNCT
eurjchem-2498	277	361	c42	c42	NOUN
eurjchem-2498	277	362	22.69	22.69	NUM
eurjchem-2498	277	363	0.28	0.28	NUM
eurjchem-2498	277	364	0.071	0.071	NUM
eurjchem-2498	277	365	lp(1)n11	lp(1)n11	PROPN
eurjchem-2498	277	366	1.6872	1.6872	NUM
eurjchem-2498	277	367	π*c1	π*c1	NOUN
eurjchem-2498	277	368	-	-	PUNCT
eurjchem-2498	277	369	c6	c6	PROPN
eurjchem-2498	278	1	23.16	23.16	NUM
eurjchem-2498	278	2	0.28	0.28	NUM
eurjchem-2498	278	3	0.073	0.073	NUM
eurjchem-2498	278	4	π*c1	π*c1	PROPN
eurjchem-2498	278	5	-	-	PUNCT
eurjchem-2498	278	6	c6	c6	PROPN
eurjchem-2498	278	7	0.38987	0.38987	NUM
eurjchem-2498	278	8	π*c4	π*c4	NOUN
eurjchem-2498	278	9	-	-	PUNCT
eurjchem-2498	278	10	c5	c5	PROPN
eurjchem-2498	278	11	235.93	235.93	NUM
eurjchem-2498	278	12	0.01	0.01	NUM
eurjchem-2498	278	13	0.081	0.081	NUM
eurjchem-2498	278	14	π*c37	π*c37	NOUN
eurjchem-2498	278	15	-	-	PUNCT
eurjchem-2498	278	16	c38	c38	NOUN
eurjchem-2498	278	17	0.40980	0.40980	NUM
eurjchem-2498	278	18	π*c40	π*c40	NOUN
eurjchem-2498	278	19	-	-	PUNCT
eurjchem-2498	278	20	c44	c44	PROPN
eurjchem-2498	278	21	215.16	215.16	NUM
eurjchem-2498	278	22	0.01	0.01	NUM
eurjchem-2498	278	23	0.081	0.081	NUM
eurjchem-2498	278	24	figure	figure	NOUN
eurjchem-2498	278	25	4	4	NUM
eurjchem-2498	278	26	.	.	PUNCT
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eurjchem-2498	278	28	,	,	PUNCT
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eurjchem-2498	278	30	moment	moment	NOUN
eurjchem-2498	278	31	versus	versus	ADP
eurjchem-2498	278	32	dihedral	dihedral	ADJ
eurjchem-2498	278	33	angle	angle	NOUN
eurjchem-2498	278	34	of	of	ADP
eurjchem-2498	278	35	compound	compound	NOUN
eurjchem-2498	278	36	1	1	NUM
eurjchem-2498	278	37	.	.	PUNCT
eurjchem-2498	278	38	figure	figure	NOUN
eurjchem-2498	278	39	5	5	NUM
eurjchem-2498	278	40	.	.	PUNCT
eurjchem-2498	278	41	energy	energy	NOUN
eurjchem-2498	278	42	,	,	PUNCT
eurjchem-2498	278	43	dipole	dipole	NOUN
eurjchem-2498	278	44	moment	moment	NOUN
eurjchem-2498	278	45	versus	versus	ADP
eurjchem-2498	278	46	dihedral	dihedral	ADJ
eurjchem-2498	278	47	angle	angle	NOUN
eurjchem-2498	278	48	of	of	ADP
eurjchem-2498	278	49	compound	compound	NOUN
eurjchem-2498	278	50	2	2	NUM
eurjchem-2498	278	51	.	.	PUNCT
eurjchem-2498	278	52	16.76	16.76	NUM
eurjchem-2498	278	53	,	,	PUNCT
eurjchem-2498	278	54	20.02	20.02	NUM
eurjchem-2498	278	55	,	,	PUNCT
eurjchem-2498	278	56	18.88	18.88	NUM
eurjchem-2498	278	57	,	,	PUNCT
eurjchem-2498	278	58	20.46,20.97	20.46,20.97	NOUN
eurjchem-2498	278	59	,	,	PUNCT
eurjchem-2498	278	60	19.13	19.13	NUM
eurjchem-2498	278	61	,	,	PUNCT
eurjchem-2498	278	62	20.0	20.0	NUM
eurjchem-2498	278	63	,	,	PUNCT
eurjchem-2498	278	64	and	and	CCONJ
eurjchem-2498	278	65	20.97	20.97	NUM
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eurjchem-2498	278	67	/	/	SYM
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eurjchem-2498	279	4	2	2	NUM
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eurjchem-2498	279	8	c1	c1	NOUN
eurjchem-2498	279	9	-	-	PUNCT
eurjchem-2498	279	10	c6	c6	PROPN
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eurjchem-2498	279	12	c1c6	c1c6	PROPN
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eurjchem-2498	279	14	c2	c2	PROPN
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eurjchem-2498	279	16	c3	c3	PROPN
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eurjchem-2498	279	18	c2	c2	PROPN
eurjchem-2498	279	19	-	-	PUNCT
eurjchem-2498	279	20	c3	c3	PROPN
eurjchem-2498	279	21	,	,	PUNCT
eurjchem-2498	279	22	c4	c4	NOUN
eurjchem-2498	279	23	-	-	PUNCT
eurjchem-2498	279	24	c5	c5	PROPN
eurjchem-2498	279	25	,	,	PUNCT
eurjchem-2498	279	26	c4	c4	NOUN
eurjchem-2498	279	27	-	-	PUNCT
eurjchem-2498	279	28	c5	c5	PROPN
eurjchem-2498	279	29	,	,	PUNCT
eurjchem-2498	279	30	n19	n19	NOUN
eurjchem-2498	279	31	-	-	PUNCT
eurjchem-2498	279	32	n20	n20	NOUN
eurjchem-2498	279	33	,	,	PUNCT
eurjchem-2498	279	34	c21	c21	NOUN
eurjchem-2498	279	35	-	-	PUNCT
eurjchem-2498	279	36	c23	c23	PROPN
eurjchem-2498	279	37	,	,	PUNCT
eurjchem-2498	279	38	c21	c21	NOUN
eurjchem-2498	279	39	-	-	PUNCT
eurjchem-2498	279	40	c23	c23	PROPN
eurjchem-2498	279	41	,	,	PUNCT
eurjchem-2498	279	42	c37	c37	NOUN
eurjchem-2498	279	43	-	-	PUNCT
eurjchem-2498	279	44	c38	c38	NOUN
eurjchem-2498	279	45	,	,	PUNCT
eurjchem-2498	279	46	c37	c37	NOUN
eurjchem-2498	279	47	-	-	PUNCT
eurjchem-2498	279	48	c38	c38	NOUN
eurjchem-2498	279	49	,	,	PUNCT
eurjchem-2498	279	50	c39	c39	NOUN
eurjchem-2498	279	51	-	-	PUNCT
eurjchem-2498	279	52	c42	c42	NOUN
eurjchem-2498	279	53	,	,	PUNCT
eurjchem-2498	279	54	c39	c39	NOUN
eurjchem-2498	279	55	-	-	PUNCT
eurjchem-2498	279	56	c42	c42	NOUN
eurjchem-2498	279	57	,	,	PUNCT
eurjchem-2498	279	58	c40	c40	NOUN
eurjchem-2498	279	59	-	-	PUNCT
eurjchem-2498	279	60	c44	c44	PROPN
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eurjchem-2498	279	62	c40	c40	NOUN
eurjchem-2498	279	63	-	-	PUNCT
eurjchem-2498	279	64	c44	c44	VERB
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eurjchem-2498	279	69	c2	c2	PROPN
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eurjchem-2498	279	73	c4	c4	NOUN
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eurjchem-2498	279	75	c5	c5	PROPN
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eurjchem-2498	279	77	c1	c1	PROPN
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eurjchem-2498	279	79	c6	c6	PROPN
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eurjchem-2498	279	81	c4	c4	NOUN
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eurjchem-2498	279	83	c5	c5	PROPN
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eurjchem-2498	279	85	n19n20	n19n20	NOUN
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eurjchem-2498	279	87	c1	c1	NOUN
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eurjchem-2498	279	89	c6	c6	PROPN
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eurjchem-2498	279	93	c3	c3	PROPN
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eurjchem-2498	279	95	c2	c2	PROPN
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eurjchem-2498	279	97	c3	c3	PROPN
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eurjchem-2498	279	99	n19	n19	NOUN
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eurjchem-2498	279	101	n20	n20	NOUN
eurjchem-2498	279	102	,	,	PUNCT
eurjchem-2498	279	103	c22	c22	NOUN
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eurjchem-2498	279	105	c24	c24	PROPN
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eurjchem-2498	279	107	c39	c39	NOUN
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eurjchem-2498	279	109	c42	c42	NOUN
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eurjchem-2498	279	111	c40c44	c40c44	NOUN
eurjchem-2498	279	112	,	,	PUNCT
eurjchem-2498	279	113	c37	c37	NOUN
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eurjchem-2498	279	115	c38	c38	NOUN
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eurjchem-2498	279	117	c39	c39	NOUN
eurjchem-2498	279	118	-	-	PUNCT
eurjchem-2498	279	119	c42	c42	NOUN
eurjchem-2498	279	120	and	and	CCONJ
eurjchem-2498	279	121	their	their	PRON
eurjchem-2498	279	122	second	second	ADJ
eurjchem-2498	279	123	-	-	PUNCT
eurjchem-2498	279	124	order	order	NOUN
eurjchem-2498	279	125	perturbation	perturbation	NOUN
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eurjchem-2498	279	127	are	be	AUX
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eurjchem-2498	279	129	,	,	PUNCT
eurjchem-2498	279	130	16.76	16.76	NUM
eurjchem-2498	279	131	,	,	PUNCT
eurjchem-2498	279	132	20.19	20.19	NUM
eurjchem-2498	279	133	,	,	PUNCT
eurjchem-2498	279	134	20.4	20.4	NUM
eurjchem-2498	279	135	,	,	PUNCT
eurjchem-2498	279	136	20.03	20.03	NUM
eurjchem-2498	279	137	,	,	PUNCT
eurjchem-2498	279	138	21.41	21.41	NUM
eurjchem-2498	279	139	,	,	PUNCT
eurjchem-2498	279	140	17.42	17.42	NUM
eurjchem-2498	279	141	,	,	PUNCT
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eurjchem-2498	279	143	,	,	PUNCT
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eurjchem-2498	279	145	,	,	PUNCT
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eurjchem-2498	279	147	,	,	PUNCT
eurjchem-2498	279	148	22.24	22.24	NUM
eurjchem-2498	279	149	,	,	PUNCT
eurjchem-2498	279	150	21.31	21.31	NUM
eurjchem-2498	279	151	,	,	PUNCT
eurjchem-2498	279	152	16.18	16.18	NUM
eurjchem-2498	279	153	,	,	PUNCT
eurjchem-2498	279	154	19.21	19.21	NUM
eurjchem-2498	279	155	,	,	PUNCT
eurjchem-2498	279	156	and	and	CCONJ
eurjchem-2498	279	157	22.69	22.69	NUM
eurjchem-2498	279	158	kcal	kcal	NOUN
eurjchem-2498	279	159	/	/	SYM
eurjchem-2498	279	160	mol	mol	PROPN
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eurjchem-2498	280	2	angle	angle	PROPN
eurjchem-2498	280	3	studies	study	NOUN
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eurjchem-2498	281	4	variation	variation	NOUN
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eurjchem-2498	281	6	energy	energy	NOUN
eurjchem-2498	281	7	and	and	CCONJ
eurjchem-2498	281	8	dipole	dipole	NOUN
eurjchem-2498	281	9	moment	moment	NOUN
eurjchem-2498	281	10	of	of	ADP
eurjchem-2498	281	11	compounds	compound	NOUN
eurjchem-2498	281	12	1	1	NUM
eurjchem-2498	281	13	and	and	CCONJ
eurjchem-2498	281	14	2	2	NUM
eurjchem-2498	281	15	as	as	ADP
eurjchem-2498	281	16	a	a	DET
eurjchem-2498	281	17	function	function	NOUN
eurjchem-2498	281	18	of	of	ADP
eurjchem-2498	281	19	dihedral	dihedral	ADJ
eurjchem-2498	281	20	angle	angle	NOUN
eurjchem-2498	281	21	are	be	AUX
eurjchem-2498	281	22	shown	show	VERB
eurjchem-2498	281	23	in	in	ADP
eurjchem-2498	281	24	figures	figure	NOUN
eurjchem-2498	281	25	4	4	NUM
eurjchem-2498	281	26	and	and	CCONJ
eurjchem-2498	281	27	5	5	NUM
eurjchem-2498	281	28	.	.	PUNCT
eurjchem-2498	282	1	it	it	PRON
eurjchem-2498	282	2	is	be	AUX
eurjchem-2498	282	3	evident	evident	ADJ
eurjchem-2498	282	4	from	from	ADP
eurjchem-2498	282	5	figure	figure	NOUN
eurjchem-2498	282	6	4	4	NUM
eurjchem-2498	282	7	that	that	SCONJ
eurjchem-2498	282	8	the	the	DET
eurjchem-2498	282	9	conformers	conformer	NOUN
eurjchem-2498	282	10	having	have	VERB
eurjchem-2498	282	11	a	a	DET
eurjchem-2498	282	12	dihedral	dihedral	ADJ
eurjchem-2498	282	13	angle	angle	NOUN
eurjchem-2498	282	14	of	of	ADP
eurjchem-2498	282	15	-170	-170	PROPN
eurjchem-2498	282	16	,	,	PUNCT
eurjchem-2498	282	17	-5	-5	INTJ
eurjchem-2498	282	18	,	,	PUNCT
eurjchem-2498	282	19	5	5	NUM
eurjchem-2498	282	20	,	,	PUNCT
eurjchem-2498	282	21	or	or	CCONJ
eurjchem-2498	282	22	180	180	NUM
eurjchem-2498	282	23	°	°	NOUN
eurjchem-2498	282	24	are	be	AUX
eurjchem-2498	282	25	stable	stable	ADJ
eurjchem-2498	282	26	ones	one	NOUN
eurjchem-2498	282	27	with	with	ADP
eurjchem-2498	282	28	minimum	minimum	ADJ
eurjchem-2498	282	29	energy	energy	NOUN
eurjchem-2498	282	30	in	in	ADP
eurjchem-2498	282	31	the	the	DET
eurjchem-2498	282	32	case	case	NOUN
eurjchem-2498	282	33	of	of	ADP
eurjchem-2498	282	34	compound	compound	NOUN
eurjchem-2498	282	35	1	1	NUM
eurjchem-2498	282	36	and	and	CCONJ
eurjchem-2498	282	37	it	it	PRON
eurjchem-2498	282	38	is	be	AUX
eurjchem-2498	282	39	due	due	ADJ
eurjchem-2498	282	40	to	to	ADP
eurjchem-2498	282	41	the	the	DET
eurjchem-2498	282	42	relaxed	relaxed	ADJ
eurjchem-2498	282	43	dihedral	dihedral	ADJ
eurjchem-2498	282	44	angle	angle	NOUN
eurjchem-2498	282	45	that	that	PRON
eurjchem-2498	282	46	places	place	VERB
eurjchem-2498	282	47	all	all	DET
eurjchem-2498	282	48	the	the	DET
eurjchem-2498	282	49	phenyl	phenyl	NOUN
eurjchem-2498	282	50	rings	ring	NOUN
eurjchem-2498	282	51	in	in	ADP
eurjchem-2498	282	52	a	a	DET
eurjchem-2498	282	53	plane	plane	NOUN
eurjchem-2498	282	54	parallel	parallel	NOUN
eurjchem-2498	282	55	to	to	ADP
eurjchem-2498	282	56	one	one	NUM
eurjchem-2498	282	57	another	another	DET
eurjchem-2498	282	58	.	.	PUNCT
eurjchem-2498	283	1	in	in	ADP
eurjchem-2498	283	2	compound	compound	NOUN
eurjchem-2498	283	3	2	2	NUM
eurjchem-2498	283	4	,	,	PUNCT
eurjchem-2498	283	5	the	the	DET
eurjchem-2498	283	6	conformers	conformer	NOUN
eurjchem-2498	283	7	with	with	ADP
eurjchem-2498	283	8	dihedral	dihedral	ADJ
eurjchem-2498	283	9	angles	angle	NOUN
eurjchem-2498	283	10	0	0	NUM
eurjchem-2498	283	11	,	,	PUNCT
eurjchem-2498	283	12	180	180	NUM
eurjchem-2498	283	13	,	,	PUNCT
eurjchem-2498	283	14	9	9	NUM
eurjchem-2498	283	15	,	,	PUNCT
eurjchem-2498	283	16	-10	-10	NUM
eurjchem-2498	283	17	,	,	PUNCT
eurjchem-2498	283	18	and	and	CCONJ
eurjchem-2498	283	19	-170	-170	PROPN
eurjchem-2498	283	20	°	°	PROPN
eurjchem-2498	283	21	exhibit	exhibit	VERB
eurjchem-2498	283	22	minimum	minimum	ADJ
eurjchem-2498	283	23	energy	energy	NOUN
eurjchem-2498	283	24	and	and	CCONJ
eurjchem-2498	283	25	enjoy	enjoy	VERB
eurjchem-2498	283	26	better	well	ADJ
eurjchem-2498	283	27	stability	stability	NOUN
eurjchem-2498	283	28	because	because	SCONJ
eurjchem-2498	283	29	all	all	DET
eurjchem-2498	283	30	three	three	NUM
eurjchem-2498	283	31	rings	ring	NOUN
eurjchem-2498	283	32	are	be	AUX
eurjchem-2498	283	33	in	in	ADP
eurjchem-2498	283	34	the	the	DET
eurjchem-2498	283	35	plane	plane	NOUN
eurjchem-2498	283	36	.	.	PUNCT
eurjchem-2498	284	1	in	in	ADP
eurjchem-2498	284	2	compounds	compound	NOUN
eurjchem-2498	284	3	1	1	NUM
eurjchem-2498	284	4	and	and	CCONJ
eurjchem-2498	284	5	2	2	NUM
eurjchem-2498	284	6	,	,	PUNCT
eurjchem-2498	284	7	the	the	DET
eurjchem-2498	284	8	conformers	conformer	NOUN
eurjchem-2498	284	9	with	with	ADP
eurjchem-2498	284	10	the	the	DET
eurjchem-2498	284	11	phenyl	phenyl	NOUN
eurjchem-2498	284	12	ring	ring	NOUN
eurjchem-2498	284	13	perpendicular	perpendicular	NOUN
eurjchem-2498	284	14	to	to	ADP
eurjchem-2498	284	15	their	their	PRON
eurjchem-2498	284	16	counterparts	counterpart	NOUN
eurjchem-2498	284	17	experience	experience	VERB
eurjchem-2498	284	18	more	more	ADJ
eurjchem-2498	284	19	strain	strain	NOUN
eurjchem-2498	284	20	,	,	PUNCT
eurjchem-2498	284	21	and	and	CCONJ
eurjchem-2498	284	22	they	they	PRON
eurjchem-2498	284	23	are	be	AUX
eurjchem-2498	284	24	explicitly	explicitly	ADV
eurjchem-2498	284	25	less	less	ADV
eurjchem-2498	284	26	stable	stable	ADJ
eurjchem-2498	284	27	with	with	ADP
eurjchem-2498	284	28	high	high	ADJ
eurjchem-2498	284	29	energy	energy	NOUN
eurjchem-2498	284	30	.	.	PUNCT
eurjchem-2498	285	1	the	the	DET
eurjchem-2498	285	2	conformers	conformer	NOUN
eurjchem-2498	285	3	with	with	ADP
eurjchem-2498	285	4	less	less	ADJ
eurjchem-2498	285	5	stability	stability	NOUN
eurjchem-2498	285	6	are	be	AUX
eurjchem-2498	285	7	dihedral	dihedral	ADJ
eurjchem-2498	285	8	angles	angle	NOUN
eurjchem-2498	285	9	-97	-97	PROPN
eurjchem-2498	285	10	,	,	PUNCT
eurjchem-2498	285	11	97	97	NUM
eurjchem-2498	285	12	,	,	PUNCT
eurjchem-2498	285	13	-87	-87	PROPN
eurjchem-2498	285	14	,	,	PUNCT
eurjchem-2498	285	15	87	87	NUM
eurjchem-2498	285	16	,	,	PUNCT
eurjchem-2498	285	17	-108	-108	PROPN
eurjchem-2498	285	18	°	°	PROPN
eurjchem-2498	285	19	and	and	CCONJ
eurjchem-2498	285	20	99	99	NUM
eurjchem-2498	285	21	,	,	PUNCT
eurjchem-2498	285	22	-99	-99	PROPN
eurjchem-2498	285	23	,	,	PUNCT
eurjchem-2498	285	24	89	89	NUM
eurjchem-2498	285	25	,	,	PUNCT
eurjchem-2498	285	26	100	100	NUM
eurjchem-2498	285	27	,	,	PUNCT
eurjchem-2498	285	28	-80	-80	PUNCT
eurjchem-2498	285	29	°	°	NUM
eurjchem-2498	285	30	in	in	ADP
eurjchem-2498	285	31	compounds	compound	NOUN
eurjchem-2498	285	32	1	1	NUM
eurjchem-2498	285	33	and	and	CCONJ
eurjchem-2498	285	34	2	2	NUM
eurjchem-2498	285	35	,	,	PUNCT
eurjchem-2498	285	36	respectively	respectively	ADV
eurjchem-2498	285	37	[	[	X
eurjchem-2498	285	38	25,48	25,48	NOUN
eurjchem-2498	285	39	]	]	X
eurjchem-2498	285	40	.	.	PUNCT
eurjchem-2498	286	1	siluvairaj	siluvairaj	VERB
eurjchem-2498	286	2	et	et	PROPN
eurjchem-2498	286	3	al	al	PROPN
eurjchem-2498	286	4	.	.	PUNCT
eurjchem-2498	286	5	/	/	SYM
eurjchem-2498	286	6	european	european	PROPN
eurjchem-2498	286	7	journal	journal	PROPN
eurjchem-2498	286	8	of	of	ADP
eurjchem-2498	286	9	chemistry	chemistry	NOUN
eurjchem-2498	286	10	15	15	NUM
eurjchem-2498	286	11	(	(	PUNCT
eurjchem-2498	286	12	1	1	NUM
eurjchem-2498	286	13	)	)	PUNCT
eurjchem-2498	286	14	(	(	PUNCT
eurjchem-2498	286	15	2024	2024	NUM
eurjchem-2498	286	16	)	)	PUNCT
eurjchem-2498	286	17	50	50	NUM
eurjchem-2498	286	18	-	-	SYM
eurjchem-2498	286	19	70	70	NUM
eurjchem-2498	286	20	63	63	NUM
eurjchem-2498	286	21	2024	2024	NUM
eurjchem-2498	286	22	–	–	PUNCT
eurjchem-2498	286	23	european	european	ADJ
eurjchem-2498	286	24	journal	journal	NOUN
eurjchem-2498	286	25	of	of	ADP
eurjchem-2498	286	26	chemistry	chemistry	NOUN
eurjchem-2498	286	27	–	–	PUNCT
eurjchem-2498	286	28	cc	cc	NOUN
eurjchem-2498	286	29	by	by	ADP
eurjchem-2498	286	30	nc	nc	PROPN
eurjchem-2498	286	31	–	–	PUNCT
eurjchem-2498	286	32	doi	doi	NOUN
eurjchem-2498	286	33	:	:	PUNCT
eurjchem-2498	286	34	10.5155	10.5155	NUM
eurjchem-2498	286	35	/	/	SYM
eurjchem-2498	286	36	eurjchem.15.1.50	eurjchem.15.1.50	ADJ
eurjchem-2498	286	37	-	-	SYM
eurjchem-2498	286	38	70.2498	70.2498	NUM
eurjchem-2498	286	39	dihedral	dihedral	ADJ
eurjchem-2498	286	40	angle	angle	NOUN
eurjchem-2498	286	41	,	,	PUNCT
eurjchem-2498	286	42	°	°	ADP
eurjchem-2498	286	43	homo	homo	NOUN
eurjchem-2498	286	44	lumo	lumo	NOUN
eurjchem-2498	286	45	5	5	NUM
eurjchem-2498	286	46	97	97	NUM
eurjchem-2498	286	47	170	170	NUM
eurjchem-2498	286	48	-170	-170	NUM
eurjchem-2498	286	49	-97	-97	NOUN
eurjchem-2498	286	50	figure	figure	NOUN
eurjchem-2498	286	51	6	6	NUM
eurjchem-2498	286	52	.	.	PUNCT
eurjchem-2498	287	1	homo	homo	NOUN
eurjchem-2498	287	2	-	-	PUNCT
eurjchem-2498	287	3	lumo	lumo	NOUN
eurjchem-2498	287	4	diagrams	diagram	NOUN
eurjchem-2498	287	5	of	of	ADP
eurjchem-2498	287	6	compound	compound	NOUN
eurjchem-2498	287	7	1	1	NUM
eurjchem-2498	287	8	at	at	ADP
eurjchem-2498	287	9	various	various	ADJ
eurjchem-2498	287	10	dihedral	dihedral	ADJ
eurjchem-2498	287	11	angles	angle	NOUN
eurjchem-2498	287	12	.	.	PUNCT
eurjchem-2498	288	1	3.7.2	3.7.2	NUM
eurjchem-2498	288	2	.	.	PUNCT
eurjchem-2498	288	3	dipole	dipole	NOUN
eurjchem-2498	288	4	moment	moment	NOUN
eurjchem-2498	288	5	the	the	DET
eurjchem-2498	288	6	variation	variation	NOUN
eurjchem-2498	288	7	in	in	ADP
eurjchem-2498	288	8	energy	energy	NOUN
eurjchem-2498	288	9	and	and	CCONJ
eurjchem-2498	288	10	dipole	dipole	NOUN
eurjchem-2498	288	11	moment	moment	NOUN
eurjchem-2498	288	12	of	of	ADP
eurjchem-2498	288	13	compounds	compound	NOUN
eurjchem-2498	288	14	1	1	NUM
eurjchem-2498	288	15	and	and	CCONJ
eurjchem-2498	288	16	2	2	NUM
eurjchem-2498	288	17	as	as	ADP
eurjchem-2498	288	18	a	a	DET
eurjchem-2498	288	19	function	function	NOUN
eurjchem-2498	288	20	of	of	ADP
eurjchem-2498	288	21	dihedral	dihedral	ADJ
eurjchem-2498	288	22	angle	angle	NOUN
eurjchem-2498	288	23	are	be	AUX
eurjchem-2498	288	24	shown	show	VERB
eurjchem-2498	288	25	in	in	ADP
eurjchem-2498	288	26	figures	figure	NOUN
eurjchem-2498	288	27	4	4	NUM
eurjchem-2498	288	28	and	and	CCONJ
eurjchem-2498	288	29	5	5	NUM
eurjchem-2498	288	30	.	.	PUNCT
eurjchem-2498	289	1	it	it	PRON
eurjchem-2498	289	2	is	be	AUX
eurjchem-2498	289	3	evident	evident	ADJ
eurjchem-2498	289	4	from	from	ADP
eurjchem-2498	289	5	the	the	DET
eurjchem-2498	289	6	figure	figure	NOUN
eurjchem-2498	289	7	that	that	SCONJ
eurjchem-2498	289	8	as	as	SCONJ
eurjchem-2498	289	9	the	the	DET
eurjchem-2498	289	10	dihedral	dihedral	ADJ
eurjchem-2498	289	11	angle	angle	NOUN
eurjchem-2498	289	12	increases	increase	NOUN
eurjchem-2498	289	13	,	,	PUNCT
eurjchem-2498	289	14	energy	energy	NOUN
eurjchem-2498	289	15	and	and	CCONJ
eurjchem-2498	289	16	dipole	dipole	NOUN
eurjchem-2498	289	17	moment	moment	NOUN
eurjchem-2498	289	18	also	also	ADV
eurjchem-2498	289	19	increase	increase	VERB
eurjchem-2498	289	20	and	and	CCONJ
eurjchem-2498	289	21	reach	reach	VERB
eurjchem-2498	289	22	a	a	DET
eurjchem-2498	289	23	maximum	maximum	NOUN
eurjchem-2498	289	24	of	of	ADP
eurjchem-2498	289	25	6.237	6.237	NUM
eurjchem-2498	289	26	debye	debye	ADJ
eurjchem-2498	289	27	at	at	ADP
eurjchem-2498	289	28	-87	-87	PROPN
eurjchem-2498	289	29	°	°	PROPN
eurjchem-2498	289	30	,	,	PUNCT
eurjchem-2498	289	31	at	at	ADP
eurjchem-2498	289	32	which	which	PRON
eurjchem-2498	289	33	the	the	DET
eurjchem-2498	289	34	aniline	aniline	ADJ
eurjchem-2498	289	35	moiety	moiety	NOUN
eurjchem-2498	289	36	is	be	AUX
eurjchem-2498	289	37	perpendicular	perpendicular	ADJ
eurjchem-2498	289	38	to	to	ADP
eurjchem-2498	289	39	the	the	DET
eurjchem-2498	289	40	phenoxy	phenoxy	ADJ
eurjchem-2498	289	41	moiety	moiety	NOUN
eurjchem-2498	289	42	.	.	PUNCT
eurjchem-2498	290	1	the	the	DET
eurjchem-2498	290	2	dipole	dipole	NOUN
eurjchem-2498	290	3	moment	moment	NOUN
eurjchem-2498	290	4	decreases	decrease	VERB
eurjchem-2498	290	5	as	as	SCONJ
eurjchem-2498	290	6	the	the	DET
eurjchem-2498	290	7	dihedral	dihedral	ADJ
eurjchem-2498	290	8	angle	angle	NOUN
eurjchem-2498	290	9	increases	increase	VERB
eurjchem-2498	290	10	further	far	ADV
eurjchem-2498	290	11	and	and	CCONJ
eurjchem-2498	290	12	reaches	reach	VERB
eurjchem-2498	290	13	a	a	DET
eurjchem-2498	290	14	second	second	ADJ
eurjchem-2498	290	15	maximum	maximum	NOUN
eurjchem-2498	290	16	of	of	ADP
eurjchem-2498	290	17	5.390	5.390	NUM
eurjchem-2498	290	18	debye	debye	NOUN
eurjchem-2498	290	19	at	at	ADP
eurjchem-2498	290	20	87	87	NUM
eurjchem-2498	290	21	°	°	NOUN
eurjchem-2498	290	22	.	.	PUNCT
eurjchem-2498	291	1	the	the	DET
eurjchem-2498	291	2	dipole	dipole	NOUN
eurjchem-2498	291	3	moment	moment	NOUN
eurjchem-2498	291	4	is	be	AUX
eurjchem-2498	291	5	at	at	ADP
eurjchem-2498	291	6	its	its	PRON
eurjchem-2498	291	7	minimum	minimum	NOUN
eurjchem-2498	291	8	whenever	whenever	SCONJ
eurjchem-2498	291	9	the	the	DET
eurjchem-2498	291	10	molecule	molecule	NOUN
eurjchem-2498	291	11	reaches	reach	VERB
eurjchem-2498	291	12	a	a	DET
eurjchem-2498	291	13	planar	planar	ADJ
eurjchem-2498	291	14	structure	structure	NOUN
eurjchem-2498	291	15	with	with	ADP
eurjchem-2498	291	16	minimal	minimal	ADJ
eurjchem-2498	291	17	energy	energy	NOUN
eurjchem-2498	291	18	and	and	CCONJ
eurjchem-2498	291	19	stable	stable	ADJ
eurjchem-2498	291	20	configuration	configuration	NOUN
eurjchem-2498	291	21	in	in	ADP
eurjchem-2498	291	22	compound	compound	NOUN
eurjchem-2498	291	23	1	1	NUM
eurjchem-2498	291	24	.	.	PUNCT
eurjchem-2498	292	1	in	in	ADP
eurjchem-2498	292	2	contrast	contrast	NOUN
eurjchem-2498	292	3	,	,	PUNCT
eurjchem-2498	292	4	the	the	DET
eurjchem-2498	292	5	dipole	dipole	NOUN
eurjchem-2498	292	6	moment	moment	NOUN
eurjchem-2498	292	7	reaches	reach	VERB
eurjchem-2498	292	8	a	a	DET
eurjchem-2498	292	9	maximum	maximum	NOUN
eurjchem-2498	292	10	of	of	ADP
eurjchem-2498	292	11	4.662	4.662	NUM
eurjchem-2498	292	12	debye	debye	ADJ
eurjchem-2498	292	13	at	at	ADP
eurjchem-2498	292	14	a	a	DET
eurjchem-2498	292	15	dihedral	dihedral	ADJ
eurjchem-2498	292	16	angle	angle	NOUN
eurjchem-2498	292	17	of	of	ADP
eurjchem-2498	292	18	0	0	NUM
eurjchem-2498	292	19	°	°	NUM
eurjchem-2498	292	20	and	and	CCONJ
eurjchem-2498	292	21	an	an	DET
eurjchem-2498	292	22	energy	energy	NOUN
eurjchem-2498	292	23	minimum	minimum	NOUN
eurjchem-2498	292	24	.	.	PUNCT
eurjchem-2498	293	1	energy	energy	NOUN
eurjchem-2498	293	2	and	and	CCONJ
eurjchem-2498	293	3	dipole	dipole	NOUN
eurjchem-2498	293	4	moment	moment	NOUN
eurjchem-2498	293	5	are	be	AUX
eurjchem-2498	293	6	inversely	inversely	ADV
eurjchem-2498	293	7	related	relate	VERB
eurjchem-2498	293	8	in	in	ADP
eurjchem-2498	293	9	compound	compound	NOUN
eurjchem-2498	293	10	2	2	NUM
eurjchem-2498	293	11	;	;	PUNCT
eurjchem-2498	293	12	the	the	DET
eurjchem-2498	293	13	dihedral	dihedral	ADJ
eurjchem-2498	293	14	angle	angle	NOUN
eurjchem-2498	293	15	at	at	ADP
eurjchem-2498	293	16	which	which	PRON
eurjchem-2498	293	17	the	the	DET
eurjchem-2498	293	18	maximum	maximum	ADJ
eurjchem-2498	293	19	energy	energy	NOUN
eurjchem-2498	293	20	is	be	AUX
eurjchem-2498	293	21	obtained	obtain	VERB
eurjchem-2498	293	22	becomes	become	VERB
eurjchem-2498	293	23	the	the	DET
eurjchem-2498	293	24	minimum	minimum	NOUN
eurjchem-2498	293	25	for	for	ADP
eurjchem-2498	293	26	the	the	DET
eurjchem-2498	293	27	dipole	dipole	NOUN
eurjchem-2498	293	28	moment	moment	NOUN
eurjchem-2498	293	29	and	and	CCONJ
eurjchem-2498	293	30	vice	vice	ADV
eurjchem-2498	293	31	versa	versa	ADV
eurjchem-2498	294	1	[	[	X
eurjchem-2498	294	2	25	25	NUM
eurjchem-2498	294	3	]	]	PUNCT
eurjchem-2498	294	4	.	.	PUNCT
eurjchem-2498	295	1	this	this	DET
eurjchem-2498	295	2	behavior	behavior	NOUN
eurjchem-2498	295	3	is	be	AUX
eurjchem-2498	295	4	notably	notably	ADV
eurjchem-2498	295	5	different	different	ADJ
eurjchem-2498	295	6	from	from	ADP
eurjchem-2498	295	7	compound	compound	NOUN
eurjchem-2498	295	8	1	1	NUM
eurjchem-2498	295	9	.	.	PUNCT
eurjchem-2498	296	1	3.7.3	3.7.3	NUM
eurjchem-2498	296	2	.	.	PUNCT
eurjchem-2498	297	1	homo	homo	NOUN
eurjchem-2498	297	2	-	-	PUNCT
eurjchem-2498	297	3	lumo	lumo	NOUN
eurjchem-2498	297	4	,	,	PUNCT
eurjchem-2498	297	5	hardness	hardness	INTJ
eurjchem-2498	297	6	,	,	PUNCT
eurjchem-2498	297	7	electrophilicity	electrophilicity	NOUN
eurjchem-2498	297	8	in	in	ADP
eurjchem-2498	297	9	compound	compound	NOUN
eurjchem-2498	297	10	1	1	NUM
eurjchem-2498	297	11	,	,	PUNCT
eurjchem-2498	297	12	∆e	∆e	PROPN
eurjchem-2498	297	13	,	,	PUNCT
eurjchem-2498	297	14	the	the	DET
eurjchem-2498	297	15	hardness	hardness	NOUN
eurjchem-2498	297	16	and	and	CCONJ
eurjchem-2498	297	17	electrophilicity	electrophilicity	NOUN
eurjchem-2498	297	18	index	index	NOUN
eurjchem-2498	297	19	of	of	ADP
eurjchem-2498	297	20	the	the	DET
eurjchem-2498	297	21	compound	compound	NOUN
eurjchem-2498	297	22	are	be	AUX
eurjchem-2498	297	23	compared	compare	VERB
eurjchem-2498	297	24	with	with	ADP
eurjchem-2498	297	25	dihedral	dihedral	ADJ
eurjchem-2498	297	26	angles	angle	NOUN
eurjchem-2498	297	27	at	at	ADP
eurjchem-2498	297	28	-170	-170	NUM
eurjchem-2498	297	29	,	,	PUNCT
eurjchem-2498	297	30	0	0	NUM
eurjchem-2498	297	31	,	,	PUNCT
eurjchem-2498	297	32	and	and	CCONJ
eurjchem-2498	297	33	180	180	NUM
eurjchem-2498	297	34	°	°	NOUN
eurjchem-2498	297	35	.	.	PUNCT
eurjchem-2498	298	1	the	the	DET
eurjchem-2498	298	2	energy	energy	NOUN
eurjchem-2498	298	3	gap	gap	NOUN
eurjchem-2498	298	4	is	be	AUX
eurjchem-2498	298	5	found	find	VERB
eurjchem-2498	298	6	to	to	PART
eurjchem-2498	298	7	be	be	AUX
eurjchem-2498	298	8	a	a	DET
eurjchem-2498	298	9	minimum	minimum	NOUN
eurjchem-2498	298	10	of	of	ADP
eurjchem-2498	298	11	2.0812929	2.0812929	NUM
eurjchem-2498	298	12	ev	ev	NOUN
eurjchem-2498	298	13	at	at	ADP
eurjchem-2498	298	14	-170	-170	PROPN
eurjchem-2498	298	15	°	°	PROPN
eurjchem-2498	298	16	,	,	PUNCT
eurjchem-2498	298	17	which	which	PRON
eurjchem-2498	298	18	is	be	AUX
eurjchem-2498	298	19	found	find	VERB
eurjchem-2498	298	20	to	to	PART
eurjchem-2498	298	21	be	be	AUX
eurjchem-2498	298	22	the	the	DET
eurjchem-2498	298	23	most	most	ADV
eurjchem-2498	298	24	stable	stable	ADJ
eurjchem-2498	298	25	conformer	conformer	NOUN
eurjchem-2498	298	26	with	with	ADP
eurjchem-2498	298	27	minimum	minimum	ADJ
eurjchem-2498	298	28	energy	energy	NOUN
eurjchem-2498	298	29	.	.	PUNCT
eurjchem-2498	299	1	the	the	DET
eurjchem-2498	299	2	molecule	molecule	NOUN
eurjchem-2498	299	3	exhibits	exhibit	VERB
eurjchem-2498	299	4	a	a	DET
eurjchem-2498	299	5	maximum	maximum	ADJ
eurjchem-2498	299	6	hardness	hardness	NOUN
eurjchem-2498	299	7	of	of	ADP
eurjchem-2498	299	8	1.7189918	1.7189918	NUM
eurjchem-2498	299	9	at	at	ADP
eurjchem-2498	299	10	a	a	DET
eurjchem-2498	299	11	dihedral	dihedral	ADJ
eurjchem-2498	299	12	angle	angle	NOUN
eurjchem-2498	299	13	of	of	ADP
eurjchem-2498	299	14	-97	-97	PROPN
eurjchem-2498	299	15	°	°	PROPN
eurjchem-2498	299	16	and	and	CCONJ
eurjchem-2498	299	17	a	a	DET
eurjchem-2498	299	18	conformer	conformer	NOUN
eurjchem-2498	299	19	with	with	ADP
eurjchem-2498	299	20	maximum	maximum	ADJ
eurjchem-2498	299	21	energy	energy	NOUN
eurjchem-2498	299	22	and	and	CCONJ
eurjchem-2498	299	23	minimum	minimum	NOUN
eurjchem-2498	299	24	stability	stability	NOUN
eurjchem-2498	299	25	[	[	X
eurjchem-2498	299	26	4850	4850	NUM
eurjchem-2498	299	27	]	]	PUNCT
eurjchem-2498	299	28	.	.	PUNCT
eurjchem-2498	300	1	at	at	ADP
eurjchem-2498	300	2	97	97	NUM
eurjchem-2498	300	3	°	°	NOUN
eurjchem-2498	300	4	,	,	PUNCT
eurjchem-2498	300	5	the	the	DET
eurjchem-2498	300	6	energy	energy	NOUN
eurjchem-2498	300	7	is	be	AUX
eurjchem-2498	300	8	at	at	ADP
eurjchem-2498	300	9	its	its	PRON
eurjchem-2498	300	10	peak	peak	NOUN
eurjchem-2498	300	11	and	and	CCONJ
eurjchem-2498	300	12	the	the	DET
eurjchem-2498	300	13	electrophilicity	electrophilicity	NOUN
eurjchem-2498	300	14	index	index	NOUN
eurjchem-2498	300	15	is	be	AUX
eurjchem-2498	300	16	found	find	VERB
eurjchem-2498	300	17	to	to	PART
eurjchem-2498	300	18	be	be	AUX
eurjchem-2498	300	19	at	at	ADP
eurjchem-2498	300	20	its	its	PRON
eurjchem-2498	300	21	maximum	maximum	ADJ
eurjchem-2498	300	22	point	point	NOUN
eurjchem-2498	300	23	for	for	ADP
eurjchem-2498	300	24	compound	compound	NOUN
eurjchem-2498	300	25	1	1	NUM
eurjchem-2498	300	26	.	.	PUNCT
eurjchem-2498	301	1	in	in	ADP
eurjchem-2498	301	2	compound	compound	NOUN
eurjchem-2498	301	3	2	2	NUM
eurjchem-2498	301	4	,	,	PUNCT
eurjchem-2498	301	5	∆e	∆e	PROPN
eurjchem-2498	301	6	,	,	PUNCT
eurjchem-2498	301	7	the	the	DET
eurjchem-2498	301	8	hardness	hardness	NOUN
eurjchem-2498	301	9	and	and	CCONJ
eurjchem-2498	301	10	electrophilicity	electrophilicity	NOUN
eurjchem-2498	301	11	index	index	NOUN
eurjchem-2498	301	12	of	of	ADP
eurjchem-2498	301	13	the	the	DET
eurjchem-2498	301	14	compound	compound	NOUN
eurjchem-2498	301	15	are	be	AUX
eurjchem-2498	301	16	compared	compare	VERB
eurjchem-2498	301	17	with	with	ADP
eurjchem-2498	301	18	dihedral	dihedral	ADJ
eurjchem-2498	301	19	angles	angle	NOUN
eurjchem-2498	301	20	at	at	ADP
eurjchem-2498	301	21	-170	-170	PROPN
eurjchem-2498	301	22	,	,	PUNCT
eurjchem-2498	301	23	-100	-100	PROPN
eurjchem-2498	301	24	,	,	PUNCT
eurjchem-2498	301	25	1	1	NUM
eurjchem-2498	301	26	,	,	PUNCT
eurjchem-2498	301	27	100	100	NUM
eurjchem-2498	301	28	,	,	PUNCT
eurjchem-2498	301	29	and	and	CCONJ
eurjchem-2498	301	30	170	170	NUM
eurjchem-2498	301	31	°	°	PROPN
eurjchem-2498	301	32	.	.	PUNCT
eurjchem-2498	302	1	the	the	DET
eurjchem-2498	302	2	energy	energy	NOUN
eurjchem-2498	302	3	gap	gap	NOUN
eurjchem-2498	302	4	is	be	AUX
eurjchem-2498	302	5	found	find	VERB
eurjchem-2498	302	6	to	to	PART
eurjchem-2498	302	7	be	be	AUX
eurjchem-2498	302	8	minimum	minimum	ADJ
eurjchem-2498	302	9	1.997214	1.997214	NUM
eurjchem-2498	302	10	ev	ev	INTJ
eurjchem-2498	302	11	at	at	ADP
eurjchem-2498	302	12	170	170	NUM
eurjchem-2498	302	13	°	°	NOUN
eurjchem-2498	302	14	,	,	PUNCT
eurjchem-2498	302	15	which	which	PRON
eurjchem-2498	302	16	is	be	AUX
eurjchem-2498	302	17	found	find	VERB
eurjchem-2498	302	18	to	to	PART
eurjchem-2498	302	19	be	be	AUX
eurjchem-2498	302	20	a	a	DET
eurjchem-2498	302	21	stable	stable	ADJ
eurjchem-2498	302	22	conformer	conformer	NOUN
eurjchem-2498	302	23	with	with	ADP
eurjchem-2498	302	24	minimum	minimum	ADJ
eurjchem-2498	302	25	energy	energy	NOUN
eurjchem-2498	302	26	and	and	CCONJ
eurjchem-2498	302	27	maximum	maximum	ADJ
eurjchem-2498	302	28	dipole	dipole	NOUN
eurjchem-2498	302	29	moment	moment	NOUN
eurjchem-2498	302	30	and	and	CCONJ
eurjchem-2498	302	31	also	also	ADV
eurjchem-2498	302	32	maximum	maximum	ADJ
eurjchem-2498	302	33	hardness	hardness	NOUN
eurjchem-2498	302	34	1.5723	1.5723	NUM
eurjchem-2498	302	35	,	,	PUNCT
eurjchem-2498	302	36	is	be	AUX
eurjchem-2498	302	37	recorded	record	VERB
eurjchem-2498	302	38	at	at	ADP
eurjchem-2498	302	39	the	the	DET
eurjchem-2498	302	40	same	same	ADJ
eurjchem-2498	302	41	point	point	NOUN
eurjchem-2498	302	42	.	.	PUNCT
eurjchem-2498	303	1	at	at	ADP
eurjchem-2498	303	2	-100	-100	PROPN
eurjchem-2498	303	3	°	°	PROPN
eurjchem-2498	303	4	,	,	PUNCT
eurjchem-2498	303	5	the	the	DET
eurjchem-2498	303	6	energy	energy	NOUN
eurjchem-2498	303	7	is	be	AUX
eurjchem-2498	303	8	found	find	VERB
eurjchem-2498	303	9	to	to	PART
eurjchem-2498	303	10	be	be	AUX
eurjchem-2498	303	11	maximum	maximum	ADJ
eurjchem-2498	303	12	,	,	PUNCT
eurjchem-2498	303	13	the	the	DET
eurjchem-2498	303	14	dipole	dipole	NOUN
eurjchem-2498	303	15	is	be	AUX
eurjchem-2498	303	16	minimum	minimum	ADJ
eurjchem-2498	303	17	,	,	PUNCT
eurjchem-2498	303	18	and	and	CCONJ
eurjchem-2498	303	19	the	the	DET
eurjchem-2498	303	20	electrophilicity	electrophilicity	NOUN
eurjchem-2498	303	21	index	index	NOUN
eurjchem-2498	303	22	is	be	AUX
eurjchem-2498	303	23	found	find	VERB
eurjchem-2498	303	24	at	at	ADP
eurjchem-2498	303	25	the	the	DET
eurjchem-2498	303	26	maximum	maximum	ADJ
eurjchem-2498	303	27	point	point	NOUN
eurjchem-2498	303	28	for	for	ADP
eurjchem-2498	303	29	compound	compound	NOUN
eurjchem-2498	303	30	2	2	NUM
eurjchem-2498	303	31	.	.	PUNCT
eurjchem-2498	303	32	when	when	SCONJ
eurjchem-2498	303	33	comparing	compare	VERB
eurjchem-2498	303	34	the	the	DET
eurjchem-2498	303	35	homolumo	homolumo	ADJ
eurjchem-2498	303	36	diagrams	diagram	NOUN
eurjchem-2498	303	37	(	(	PUNCT
eurjchem-2498	303	38	figures	figure	NOUN
eurjchem-2498	303	39	6	6	NUM
eurjchem-2498	303	40	and	and	CCONJ
eurjchem-2498	303	41	7	7	NUM
eurjchem-2498	303	42	)	)	PUNCT
eurjchem-2498	303	43	of	of	ADP
eurjchem-2498	303	44	compounds	compound	NOUN
eurjchem-2498	303	45	1	1	NUM
eurjchem-2498	303	46	and	and	CCONJ
eurjchem-2498	303	47	2	2	NUM
eurjchem-2498	303	48	at	at	ADP
eurjchem-2498	303	49	various	various	ADJ
eurjchem-2498	303	50	dihedral	dihedral	ADJ
eurjchem-2498	303	51	angles	angle	NOUN
eurjchem-2498	303	52	,	,	PUNCT
eurjchem-2498	303	53	there	there	PRON
eurjchem-2498	303	54	is	be	VERB
eurjchem-2498	303	55	some	some	DET
eurjchem-2498	303	56	similarity	similarity	NOUN
eurjchem-2498	303	57	with	with	ADP
eurjchem-2498	303	58	the	the	DET
eurjchem-2498	303	59	distribution	distribution	NOUN
eurjchem-2498	303	60	of	of	ADP
eurjchem-2498	303	61	homo	homo	NOUN
eurjchem-2498	303	62	-	-	PUNCT
eurjchem-2498	303	63	lumo	lumo	NOUN
eurjchem-2498	303	64	orbitals	orbital	NOUN
eurjchem-2498	303	65	at	at	ADP
eurjchem-2498	303	66	similar	similar	ADJ
eurjchem-2498	303	67	dihedral	dihedral	ADJ
eurjchem-2498	303	68	angles	angle	NOUN
eurjchem-2498	303	69	.	.	PUNCT
eurjchem-2498	304	1	the	the	DET
eurjchem-2498	304	2	distribution	distribution	NOUN
eurjchem-2498	304	3	of	of	ADP
eurjchem-2498	304	4	homo	homo	NOUN
eurjchem-2498	304	5	orbitals	orbital	NOUN
eurjchem-2498	304	6	in	in	ADP
eurjchem-2498	304	7	compound	compound	NOUN
eurjchem-2498	304	8	1	1	NUM
eurjchem-2498	304	9	at	at	ADP
eurjchem-2498	304	10	5	5	NUM
eurjchem-2498	304	11	°	°	NOUN
eurjchem-2498	304	12	is	be	AUX
eurjchem-2498	304	13	mainly	mainly	ADV
eurjchem-2498	304	14	on	on	ADP
eurjchem-2498	304	15	ring	ring	NOUN
eurjchem-2498	304	16	3	3	NUM
eurjchem-2498	304	17	(	(	PUNCT
eurjchem-2498	304	18	phenylhydrazone	phenylhydrazone	NOUN
eurjchem-2498	304	19	moiety	moiety	NOUN
eurjchem-2498	304	20	)	)	PUNCT
eurjchem-2498	304	21	and	and	CCONJ
eurjchem-2498	304	22	ring	ring	NOUN
eurjchem-2498	304	23	2	2	NUM
eurjchem-2498	304	24	(	(	PUNCT
eurjchem-2498	304	25	phenoxymoiety	phenoxymoiety	NOUN
eurjchem-2498	304	26	)	)	PUNCT
eurjchem-2498	304	27	.	.	PUNCT
eurjchem-2498	305	1	when	when	SCONJ
eurjchem-2498	305	2	the	the	DET
eurjchem-2498	305	3	angle	angle	NOUN
eurjchem-2498	305	4	changes	change	VERB
eurjchem-2498	305	5	to	to	ADP
eurjchem-2498	305	6	97	97	NUM
eurjchem-2498	305	7	°	°	NOUN
eurjchem-2498	305	8	the	the	DET
eurjchem-2498	305	9	homo	homo	NOUN
eurjchem-2498	305	10	orbitals	orbital	NOUN
eurjchem-2498	305	11	retain	retain	VERB
eurjchem-2498	305	12	the	the	DET
eurjchem-2498	305	13	position	position	NOUN
eurjchem-2498	305	14	with	with	ADP
eurjchem-2498	305	15	respect	respect	NOUN
eurjchem-2498	305	16	to	to	ADP
eurjchem-2498	305	17	ring	ring	NOUN
eurjchem-2498	305	18	2	2	NUM
eurjchem-2498	305	19	and	and	CCONJ
eurjchem-2498	305	20	3	3	NUM
eurjchem-2498	305	21	,	,	PUNCT
eurjchem-2498	305	22	but	but	CCONJ
eurjchem-2498	305	23	no	no	DET
eurjchem-2498	305	24	lobe	lobe	NOUN
eurjchem-2498	305	25	is	be	AUX
eurjchem-2498	305	26	identified	identify	VERB
eurjchem-2498	305	27	on	on	ADP
eurjchem-2498	305	28	ring	ring	NOUN
eurjchem-2498	305	29	1	1	NUM
eurjchem-2498	305	30	(	(	PUNCT
eurjchem-2498	305	31	aniline	aniline	NOUN
eurjchem-2498	305	32	moiety	moiety	NOUN
eurjchem-2498	305	33	)	)	PUNCT
eurjchem-2498	305	34	.	.	PUNCT
eurjchem-2498	306	1	the	the	DET
eurjchem-2498	306	2	homos	homos	PROPN
eurjchem-2498	306	3	at	at	ADP
eurjchem-2498	306	4	dihedral	dihedral	ADJ
eurjchem-2498	306	5	angles	angle	NOUN
eurjchem-2498	306	6	5	5	NUM
eurjchem-2498	306	7	,	,	PUNCT
eurjchem-2498	306	8	170	170	NUM
eurjchem-2498	306	9	,	,	PUNCT
eurjchem-2498	306	10	and	and	CCONJ
eurjchem-2498	306	11	-170	-170	NUM
eurjchem-2498	306	12	°	°	NOUN
eurjchem-2498	306	13	are	be	AUX
eurjchem-2498	306	14	similar	similar	ADJ
eurjchem-2498	306	15	with	with	ADP
eurjchem-2498	306	16	a	a	DET
eurjchem-2498	306	17	difference	difference	NOUN
eurjchem-2498	306	18	in	in	ADP
eurjchem-2498	306	19	positive	positive	ADJ
eurjchem-2498	306	20	and	and	CCONJ
eurjchem-2498	306	21	negative	negative	ADJ
eurjchem-2498	306	22	charges	charge	NOUN
eurjchem-2498	306	23	.	.	PUNCT
eurjchem-2498	307	1	the	the	DET
eurjchem-2498	307	2	homo	homo	NOUN
eurjchem-2498	307	3	of	of	ADP
eurjchem-2498	307	4	compounds	compound	NOUN
eurjchem-2498	307	5	1	1	NUM
eurjchem-2498	307	6	at	at	ADP
eurjchem-2498	307	7	97	97	NUM
eurjchem-2498	307	8	°	°	NOUN
eurjchem-2498	307	9	and	and	CCONJ
eurjchem-2498	307	10	-97	-97	PROPN
eurjchem-2498	307	11	°	°	NOUN
eurjchem-2498	307	12	exhibits	exhibit	VERB
eurjchem-2498	307	13	similar	similar	ADJ
eurjchem-2498	307	14	orbital	orbital	ADJ
eurjchem-2498	307	15	orientations	orientation	NOUN
eurjchem-2498	307	16	[	[	X
eurjchem-2498	307	17	51,52	51,52	NUM
eurjchem-2498	307	18	]	]	PUNCT
eurjchem-2498	307	19	.	.	PUNCT
eurjchem-2498	308	1	planar	planar	ADJ
eurjchem-2498	308	2	geometry	geometry	NOUN
eurjchem-2498	308	3	gives	give	VERB
eurjchem-2498	308	4	an	an	DET
eurjchem-2498	308	5	extended	extended	ADJ
eurjchem-2498	308	6	conjugation	conjugation	NOUN
eurjchem-2498	308	7	throughout	throughout	ADP
eurjchem-2498	308	8	the	the	DET
eurjchem-2498	308	9	chain	chain	NOUN
eurjchem-2498	308	10	and	and	CCONJ
eurjchem-2498	308	11	leads	lead	VERB
eurjchem-2498	308	12	to	to	ADP
eurjchem-2498	308	13	a	a	DET
eurjchem-2498	308	14	strong	strong	ADJ
eurjchem-2498	308	15	delocalization	delocalization	NOUN
eurjchem-2498	308	16	of	of	ADP
eurjchem-2498	308	17	holes	hole	NOUN
eurjchem-2498	308	18	in	in	ADP
eurjchem-2498	308	19	the	the	DET
eurjchem-2498	308	20	homo	homo	NOUN
eurjchem-2498	308	21	[	[	X
eurjchem-2498	308	22	53	53	NUM
eurjchem-2498	308	23	]	]	PUNCT
eurjchem-2498	308	24	.	.	PUNCT
eurjchem-2498	309	1	lumo	lumo	NOUN
eurjchem-2498	309	2	of	of	ADP
eurjchem-2498	309	3	compound	compound	NOUN
eurjchem-2498	309	4	1	1	NUM
eurjchem-2498	309	5	at	at	ADP
eurjchem-2498	309	6	a	a	DET
eurjchem-2498	309	7	dihedral	dihedral	ADJ
eurjchem-2498	309	8	angle	angle	NOUN
eurjchem-2498	309	9	of	of	ADP
eurjchem-2498	309	10	5	5	NUM
eurjchem-2498	309	11	°	°	NOUN
eurjchem-2498	309	12	,	,	PUNCT
eurjchem-2498	309	13	the	the	DET
eurjchem-2498	309	14	lobes	lobe	NOUN
eurjchem-2498	309	15	are	be	AUX
eurjchem-2498	309	16	located	locate	VERB
eurjchem-2498	309	17	on	on	ADP
eurjchem-2498	309	18	ring	ring	NOUN
eurjchem-2498	309	19	1	1	NUM
eurjchem-2498	309	20	and	and	CCONJ
eurjchem-2498	309	21	ring	re	VERB
eurjchem-2498	309	22	2	2	NUM
eurjchem-2498	309	23	only	only	ADV
eurjchem-2498	309	24	;	;	PUNCT
eurjchem-2498	309	25	as	as	SCONJ
eurjchem-2498	309	26	the	the	DET
eurjchem-2498	309	27	angle	angle	NOUN
eurjchem-2498	309	28	increases	increase	VERB
eurjchem-2498	309	29	to	to	ADP
eurjchem-2498	309	30	97	97	NUM
eurjchem-2498	309	31	°	°	NOUN
eurjchem-2498	309	32	and	and	CCONJ
eurjchem-2498	309	33	to	to	ADP
eurjchem-2498	309	34	170	170	NUM
eurjchem-2498	309	35	°	°	NOUN
eurjchem-2498	309	36	,	,	PUNCT
eurjchem-2498	309	37	the	the	DET
eurjchem-2498	309	38	lobe	lobe	NOUN
eurjchem-2498	309	39	is	be	AUX
eurjchem-2498	309	40	red	red	ADJ
eurjchem-2498	309	41	,	,	PUNCT
eurjchem-2498	309	42	which	which	PRON
eurjchem-2498	309	43	is	be	AUX
eurjchem-2498	309	44	a	a	DET
eurjchem-2498	309	45	tribute	tribute	NOUN
eurjchem-2498	309	46	to	to	ADP
eurjchem-2498	309	47	the	the	DET
eurjchem-2498	309	48	azo	azo	NOUN
eurjchem-2498	309	49	group	group	NOUN
eurjchem-2498	309	50	,	,	PUNCT
eurjchem-2498	309	51	and	and	CCONJ
eurjchem-2498	309	52	a	a	DET
eurjchem-2498	309	53	little	little	ADJ
eurjchem-2498	309	54	on	on	ADP
eurjchem-2498	309	55	ring	ring	NOUN
eurjchem-2498	309	56	1	1	NUM
eurjchem-2498	309	57	.	.	PUNCT
eurjchem-2498	310	1	at	at	ADP
eurjchem-2498	310	2	dihedral	dihedral	ADJ
eurjchem-2498	310	3	angles	angle	NOUN
eurjchem-2498	310	4	of	of	ADP
eurjchem-2498	310	5	170	170	NUM
eurjchem-2498	310	6	°	°	NUM
eurjchem-2498	310	7	and	and	CCONJ
eurjchem-2498	310	8	-170	-170	SYM
eurjchem-2498	310	9	°	°	PROPN
eurjchem-2498	310	10	,	,	PUNCT
eurjchem-2498	310	11	the	the	DET
eurjchem-2498	310	12	lobes	lobe	NOUN
eurjchem-2498	310	13	are	be	AUX
eurjchem-2498	310	14	similar	similar	ADJ
eurjchem-2498	310	15	with	with	ADP
eurjchem-2498	310	16	opposite	opposite	ADJ
eurjchem-2498	310	17	charge	charge	NOUN
eurjchem-2498	310	18	distribution	distribution	NOUN
eurjchem-2498	310	19	.	.	PUNCT
eurjchem-2498	311	1	at	at	ADP
eurjchem-2498	311	2	dihedral	dihedral	ADJ
eurjchem-2498	311	3	angles	angle	NOUN
eurjchem-2498	311	4	0	0	NUM
eurjchem-2498	311	5	,	,	PUNCT
eurjchem-2498	311	6	100	100	NUM
eurjchem-2498	311	7	,	,	PUNCT
eurjchem-2498	311	8	170	170	NUM
eurjchem-2498	311	9	,	,	PUNCT
eurjchem-2498	311	10	-170	-170	PROPN
eurjchem-2498	311	11	,	,	PUNCT
eurjchem-2498	311	12	and	and	CCONJ
eurjchem-2498	311	13	-100	-100	PROPN
eurjchem-2498	311	14	°	°	PROPN
eurjchem-2498	311	15	,	,	PUNCT
eurjchem-2498	311	16	the	the	DET
eurjchem-2498	311	17	homo	homo	NOUN
eurjchem-2498	311	18	of	of	ADP
eurjchem-2498	311	19	compound	compound	NOUN
eurjchem-2498	311	20	2	2	NUM
eurjchem-2498	311	21	is	be	AUX
eurjchem-2498	311	22	densely	densely	ADV
eurjchem-2498	311	23	distributed	distribute	VERB
eurjchem-2498	311	24	on	on	ADP
eurjchem-2498	311	25	ring	ring	NOUN
eurjchem-2498	311	26	2	2	NUM
eurjchem-2498	311	27	(	(	PUNCT
eurjchem-2498	311	28	phenoxymoiety	phenoxymoiety	NOUN
eurjchem-2498	311	29	)	)	PUNCT
eurjchem-2498	311	30	and	and	CCONJ
eurjchem-2498	311	31	ring	ring	NOUN
eurjchem-2498	311	32	3	3	NUM
eurjchem-2498	311	33	(	(	PUNCT
eurjchem-2498	311	34	phenylhydrazone	phenylhydrazone	NOUN
eurjchem-2498	311	35	moiety	moiety	NOUN
eurjchem-2498	311	36	)	)	PUNCT
eurjchem-2498	311	37	;	;	PUNCT
eurjchem-2498	311	38	on	on	ADP
eurjchem-2498	311	39	the	the	DET
eurjchem-2498	311	40	contrary	contrary	NOUN
eurjchem-2498	311	41	,	,	PUNCT
eurjchem-2498	311	42	lumo	lumo	NOUN
eurjchem-2498	311	43	at	at	ADP
eurjchem-2498	311	44	the	the	DET
eurjchem-2498	311	45	dihedral	dihedral	ADJ
eurjchem-2498	311	46	angles	angle	NOUN
eurjchem-2498	311	47	mentioned	mention	VERB
eurjchem-2498	311	48	above	above	ADV
eurjchem-2498	311	49	is	be	AUX
eurjchem-2498	311	50	solidly	solidly	ADV
eurjchem-2498	311	51	identified	identify	VERB
eurjchem-2498	311	52	on	on	ADP
eurjchem-2498	311	53	ring	ring	NOUN
eurjchem-2498	311	54	1(acetanilidemoiety	1(acetanilidemoiety	NUM
eurjchem-2498	311	55	)	)	PUNCT
eurjchem-2498	311	56	.	.	PUNCT
eurjchem-2498	312	1	the	the	DET
eurjchem-2498	312	2	energy	energy	NOUN
eurjchem-2498	312	3	gap	gap	NOUN
eurjchem-2498	312	4	(	(	PUNCT
eurjchem-2498	312	5	∆e	∆e	PROPN
eurjchem-2498	312	6	)	)	PUNCT
eurjchem-2498	312	7	of	of	ADP
eurjchem-2498	312	8	compound	compound	NOUN
eurjchem-2498	312	9	1	1	NUM
eurjchem-2498	312	10	is	be	AUX
eurjchem-2498	312	11	found	find	VERB
eurjchem-2498	312	12	to	to	PART
eurjchem-2498	312	13	be	be	AUX
eurjchem-2498	312	14	minimum	minimum	ADJ
eurjchem-2498	312	15	at	at	ADP
eurjchem-2498	312	16	angle	angle	NOUN
eurjchem-2498	313	1	-170	-170	NUM
eurjchem-2498	313	2	°	°	NUM
eurjchem-2498	313	3	and	and	CCONJ
eurjchem-2498	313	4	0	0	NUM
eurjchem-2498	313	5	°	°	NOUN
eurjchem-2498	313	6	in	in	ADP
eurjchem-2498	313	7	compound	compound	NOUN
eurjchem-2498	313	8	2	2	NUM
eurjchem-2498	314	1	and	and	CCONJ
eurjchem-2498	314	2	is	be	AUX
eurjchem-2498	314	3	found	find	VERB
eurjchem-2498	314	4	to	to	PART
eurjchem-2498	314	5	be	be	AUX
eurjchem-2498	314	6	-1083.474796	-1083.474796	NUM
eurjchem-2498	314	7	and	and	CCONJ
eurjchem-2498	314	8	-1236.172885	-1236.172885	NOUN
eurjchem-2498	314	9	,	,	PUNCT
eurjchem-2498	314	10	respectively	respectively	ADV
eurjchem-2498	314	11	.	.	PUNCT
eurjchem-2498	315	1	3.8	3.8	NUM
eurjchem-2498	315	2	.	.	PUNCT
eurjchem-2498	316	1	fmo	fmo	NOUN
eurjchem-2498	316	2	properties	property	NOUN
eurjchem-2498	316	3	the	the	DET
eurjchem-2498	316	4	global	global	ADJ
eurjchem-2498	316	5	reactivity	reactivity	NOUN
eurjchem-2498	316	6	descriptors	descriptor	NOUN
eurjchem-2498	316	7	such	such	ADJ
eurjchem-2498	316	8	as	as	ADP
eurjchem-2498	316	9	chemical	chemical	ADJ
eurjchem-2498	316	10	potential	potential	NOUN
eurjchem-2498	316	11	,	,	PUNCT
eurjchem-2498	316	12	electronegativity	electronegativity	NOUN
eurjchem-2498	316	13	,	,	PUNCT
eurjchem-2498	316	14	hardness	hardness	NOUN
eurjchem-2498	316	15	,	,	PUNCT
eurjchem-2498	316	16	softness	softness	NOUN
eurjchem-2498	316	17	,	,	PUNCT
eurjchem-2498	316	18	electrophilicity	electrophilicity	NOUN
eurjchem-2498	316	19	index	index	NOUN
eurjchem-2498	316	20	,	,	PUNCT
eurjchem-2498	316	21	and	and	CCONJ
eurjchem-2498	316	22	local	local	ADJ
eurjchem-2498	316	23	reactivity	reactivity	NOUN
eurjchem-2498	316	24	descriptors	descriptor	NOUN
eurjchem-2498	316	25	such	such	ADJ
eurjchem-2498	316	26	as	as	ADP
eurjchem-2498	316	27	fukui	fukui	PROPN
eurjchem-2498	316	28	functions	function	NOUN
eurjchem-2498	316	29	can	can	AUX
eurjchem-2498	316	30	be	be	AUX
eurjchem-2498	316	31	calculated	calculate	VERB
eurjchem-2498	316	32	using	use	VERB
eurjchem-2498	316	33	dft	dft	PROPN
eurjchem-2498	316	34	.	.	PROPN
eurjchem-2498	316	35	64	64	NUM
eurjchem-2498	316	36	siluvairaj	siluvairaj	VERB
eurjchem-2498	316	37	et	et	PROPN
eurjchem-2498	316	38	al	al	PROPN
eurjchem-2498	316	39	.	.	PUNCT
eurjchem-2498	316	40	/	/	SYM
eurjchem-2498	316	41	european	european	PROPN
eurjchem-2498	316	42	journal	journal	PROPN
eurjchem-2498	316	43	of	of	ADP
eurjchem-2498	316	44	chemistry	chemistry	NOUN
eurjchem-2498	316	45	15	15	NUM
eurjchem-2498	316	46	(	(	PUNCT
eurjchem-2498	316	47	1	1	NUM
eurjchem-2498	316	48	)	)	PUNCT
eurjchem-2498	316	49	(	(	PUNCT
eurjchem-2498	316	50	2024	2024	NUM
eurjchem-2498	316	51	)	)	PUNCT
eurjchem-2498	316	52	50	50	NUM
eurjchem-2498	316	53	-	-	SYM
eurjchem-2498	316	54	70	70	NUM
eurjchem-2498	316	55	2024	2024	NUM
eurjchem-2498	316	56	–	–	PUNCT
eurjchem-2498	316	57	european	european	ADJ
eurjchem-2498	316	58	journal	journal	NOUN
eurjchem-2498	316	59	of	of	ADP
eurjchem-2498	316	60	chemistry	chemistry	NOUN
eurjchem-2498	316	61	–	–	PUNCT
eurjchem-2498	316	62	cc	cc	NOUN
eurjchem-2498	316	63	by	by	ADP
eurjchem-2498	316	64	nc	nc	PROPN
eurjchem-2498	316	65	–	–	PUNCT
eurjchem-2498	316	66	doi	doi	NOUN
eurjchem-2498	316	67	:	:	PUNCT
eurjchem-2498	316	68	10.5155	10.5155	NUM
eurjchem-2498	316	69	/	/	SYM
eurjchem-2498	316	70	eurjchem.15.1.50	eurjchem.15.1.50	ADJ
eurjchem-2498	316	71	-	-	SYM
eurjchem-2498	316	72	70.2498	70.2498	NUM
eurjchem-2498	316	73	table	table	NOUN
eurjchem-2498	316	74	10	10	NUM
eurjchem-2498	316	75	.	.	PUNCT
eurjchem-2498	317	1	homo	homo	NOUN
eurjchem-2498	317	2	and	and	CCONJ
eurjchem-2498	317	3	lumo	lumo	NOUN
eurjchem-2498	317	4	energy	energy	NOUN
eurjchem-2498	317	5	,	,	PUNCT
eurjchem-2498	317	6	chemical	chemical	NOUN
eurjchem-2498	317	7	potential	potential	NOUN
eurjchem-2498	317	8	,	,	PUNCT
eurjchem-2498	317	9	hardness	hardness	NOUN
eurjchem-2498	317	10	and	and	CCONJ
eurjchem-2498	317	11	electrophilicity	electrophilicity	NOUN
eurjchem-2498	317	12	index	index	NOUN
eurjchem-2498	317	13	calculated	calculate	VERB
eurjchem-2498	317	14	by	by	ADP
eurjchem-2498	317	15	b3lyp/6	b3lyp/6	NOUN
eurjchem-2498	317	16	-	-	PROPN
eurjchem-2498	317	17	311+g(d	311+g(d	PROPN
eurjchem-2498	317	18	,	,	PUNCT
eurjchem-2498	317	19	p	p	NOUN
eurjchem-2498	317	20	)	)	PUNCT
eurjchem-2498	317	21	method	method	NOUN
eurjchem-2498	317	22	for	for	ADP
eurjchem-2498	317	23	compounds	compound	NOUN
eurjchem-2498	317	24	1	1	NUM
eurjchem-2498	317	25	and	and	CCONJ
eurjchem-2498	317	26	2	2	NUM
eurjchem-2498	317	27	.	.	X
eurjchem-2498	318	1	parameters	parameter	NOUN
eurjchem-2498	318	2	compound	compound	VERB
eurjchem-2498	318	3	1	1	NUM
eurjchem-2498	318	4	compound	compound	NOUN
eurjchem-2498	318	5	2	2	NUM
eurjchem-2498	318	6	ehomo	ehomo	NOUN
eurjchem-2498	318	7	(	(	PUNCT
eurjchem-2498	318	8	ev	ev	INTJ
eurjchem-2498	318	9	)	)	PUNCT
eurjchem-2498	318	10	-5.51	-5.51	PROPN
eurjchem-2498	318	11	-5.74	-5.74	VERB
eurjchem-2498	318	12	elumo	elumo	PROPN
eurjchem-2498	318	13	(	(	PUNCT
eurjchem-2498	318	14	ev	ev	INTJ
eurjchem-2498	318	15	)	)	PUNCT
eurjchem-2498	318	16	-1.93	-1.93	NUM
eurjchem-2498	318	17	-2.58	-2.58	ADJ
eurjchem-2498	318	18	elumo	elumo	ADJ
eurjchem-2498	318	19	-	-	PUNCT
eurjchem-2498	318	20	ehomo	ehomo	NOUN
eurjchem-2498	318	21	(	(	PUNCT
eurjchem-2498	318	22	ev	ev	NOUN
eurjchem-2498	318	23	)	)	PUNCT
eurjchem-2498	318	24	3.58	3.58	NUM
eurjchem-2498	318	25	3.16	3.16	NUM
eurjchem-2498	318	26	electronegativity	electronegativity	NOUN
eurjchem-2498	318	27	(	(	PUNCT
eurjchem-2498	318	28	ev	ev	NOUN
eurjchem-2498	318	29	)	)	PUNCT
eurjchem-2498	318	30	-3.72	-3.72	NOUN
eurjchem-2498	319	1	-4.16	-4.16	NUM
eurjchem-2498	319	2	hardness	hardness	INTJ
eurjchem-2498	319	3	(	(	PUNCT
eurjchem-2498	319	4	ev	ev	NOUN
eurjchem-2498	319	5	)	)	PUNCT
eurjchem-2498	319	6	1.79	1.79	NUM
eurjchem-2498	319	7	1.58	1.58	NUM
eurjchem-2498	319	8	electrophilicity	electrophilicity	NOUN
eurjchem-2498	319	9	index	index	NOUN
eurjchem-2498	319	10	(	(	PUNCT
eurjchem-2498	319	11	ev	ev	PROPN
eurjchem-2498	319	12	)	)	PUNCT
eurjchem-2498	319	13	3.865	3.865	NUM
eurjchem-2498	319	14	5.476	5.476	NUM
eurjchem-2498	319	15	softness	softness	NOUN
eurjchem-2498	319	16	(	(	PUNCT
eurjchem-2498	319	17	1	1	NUM
eurjchem-2498	319	18	/	/	SYM
eurjchem-2498	319	19	ev	ev	VERB
eurjchem-2498	319	20	)	)	PUNCT
eurjchem-2498	319	21	0.279	0.279	NUM
eurjchem-2498	319	22	0.316	0.316	NUM
eurjchem-2498	319	23	dihedral	dihedral	ADJ
eurjchem-2498	319	24	angle	angle	NOUN
eurjchem-2498	319	25	,	,	PUNCT
eurjchem-2498	319	26	°	°	ADP
eurjchem-2498	319	27	homo	homo	NOUN
eurjchem-2498	319	28	lumo	lumo	NOUN
eurjchem-2498	319	29	0	0	NUM
eurjchem-2498	319	30	100	100	NUM
eurjchem-2498	319	31	170	170	NUM
eurjchem-2498	319	32	-170	-170	NUM
eurjchem-2498	319	33	-100	-100	PROPN
eurjchem-2498	319	34	figure	figure	NOUN
eurjchem-2498	319	35	7	7	NUM
eurjchem-2498	319	36	.	.	PUNCT
eurjchem-2498	319	37	homo	homo	NOUN
eurjchem-2498	319	38	-	-	PUNCT
eurjchem-2498	319	39	lumo	lumo	NOUN
eurjchem-2498	319	40	diagrams	diagram	NOUN
eurjchem-2498	319	41	of	of	ADP
eurjchem-2498	319	42	compound	compound	NOUN
eurjchem-2498	319	43	2	2	NUM
eurjchem-2498	319	44	at	at	ADP
eurjchem-2498	319	45	various	various	ADJ
eurjchem-2498	319	46	dihedral	dihedral	ADJ
eurjchem-2498	319	47	angles	angle	NOUN
eurjchem-2498	319	48	.	.	PUNCT
eurjchem-2498	320	1	the	the	DET
eurjchem-2498	320	2	calculation	calculation	NOUN
eurjchem-2498	320	3	procedure	procedure	NOUN
eurjchem-2498	320	4	was	be	AUX
eurjchem-2498	320	5	illustrated	illustrate	VERB
eurjchem-2498	320	6	and	and	CCONJ
eurjchem-2498	320	7	the	the	DET
eurjchem-2498	320	8	values	value	NOUN
eurjchem-2498	320	9	are	be	AUX
eurjchem-2498	320	10	listed	list	VERB
eurjchem-2498	320	11	in	in	ADP
eurjchem-2498	320	12	table	table	NOUN
eurjchem-2498	320	13	10	10	NUM
eurjchem-2498	321	1	[	[	X
eurjchem-2498	321	2	53	53	NUM
eurjchem-2498	321	3	]	]	PUNCT
eurjchem-2498	321	4	.	.	PUNCT
eurjchem-2498	322	1	the	the	DET
eurjchem-2498	322	2	inverse	inverse	NOUN
eurjchem-2498	322	3	of	of	ADP
eurjchem-2498	322	4	hardness	hardness	NOUN
eurjchem-2498	322	5	is	be	AUX
eurjchem-2498	322	6	expressed	express	VERB
eurjchem-2498	322	7	as	as	ADP
eurjchem-2498	322	8	the	the	DET
eurjchem-2498	322	9	global	global	ADJ
eurjchem-2498	322	10	softness	softness	NOUN
eurjchem-2498	322	11	s=(1/2η	s=(1/2η	NOUN
eurjchem-2498	322	12	)	)	PUNCT
eurjchem-2498	322	13	.	.	PUNCT
eurjchem-2498	323	1	the	the	DET
eurjchem-2498	323	2	global	global	ADJ
eurjchem-2498	323	3	electrophilic	electrophilic	ADJ
eurjchem-2498	323	4	index	index	NOUN
eurjchem-2498	323	5	(	(	PUNCT
eurjchem-2498	323	6	ω	ω	NOUN
eurjchem-2498	323	7	=	=	SYM
eurjchem-2498	323	8	-µ2/2η	-µ2/2η	PROPN
eurjchem-2498	323	9	)	)	PUNCT
eurjchem-2498	323	10	assesses	assess	VERB
eurjchem-2498	323	11	the	the	DET
eurjchem-2498	323	12	lowering	lowering	NOUN
eurjchem-2498	323	13	of	of	ADP
eurjchem-2498	323	14	energy	energy	NOUN
eurjchem-2498	323	15	due	due	ADP
eurjchem-2498	323	16	to	to	ADP
eurjchem-2498	323	17	the	the	DET
eurjchem-2498	323	18	maximal	maximal	ADJ
eurjchem-2498	323	19	electron	electron	NOUN
eurjchem-2498	323	20	flow	flow	NOUN
eurjchem-2498	323	21	between	between	ADP
eurjchem-2498	323	22	donor	donor	NOUN
eurjchem-2498	323	23	and	and	CCONJ
eurjchem-2498	323	24	acceptor	acceptor	NOUN
eurjchem-2498	323	25	.	.	PUNCT
eurjchem-2498	324	1	the	the	DET
eurjchem-2498	324	2	highest	high	ADJ
eurjchem-2498	324	3	occupied	occupy	VERB
eurjchem-2498	324	4	molecular	molecular	ADJ
eurjchem-2498	324	5	orbital	orbital	ADJ
eurjchem-2498	324	6	(	(	PUNCT
eurjchem-2498	324	7	homo	homo	NOUN
eurjchem-2498	324	8	)	)	PUNCT
eurjchem-2498	324	9	and	and	CCONJ
eurjchem-2498	324	10	the	the	DET
eurjchem-2498	324	11	lowest	low	ADJ
eurjchem-2498	324	12	unoccupied	unoccupied	ADJ
eurjchem-2498	324	13	molecular	molecular	ADJ
eurjchem-2498	324	14	orbital	orbital	ADJ
eurjchem-2498	324	15	(	(	PUNCT
eurjchem-2498	324	16	lumo	lumo	NOUN
eurjchem-2498	324	17	)	)	PUNCT
eurjchem-2498	324	18	are	be	AUX
eurjchem-2498	324	19	vital	vital	ADJ
eurjchem-2498	324	20	parameters	parameter	NOUN
eurjchem-2498	324	21	for	for	ADP
eurjchem-2498	324	22	quantum	quantum	ADJ
eurjchem-2498	324	23	chemistry	chemistry	NOUN
eurjchem-2498	324	24	.	.	PUNCT
eurjchem-2498	325	1	we	we	PRON
eurjchem-2498	325	2	can	can	AUX
eurjchem-2498	325	3	determine	determine	VERB
eurjchem-2498	325	4	how	how	SCONJ
eurjchem-2498	325	5	the	the	DET
eurjchem-2498	325	6	molecule	molecule	NOUN
eurjchem-2498	325	7	interacts	interact	VERB
eurjchem-2498	325	8	with	with	ADP
eurjchem-2498	325	9	other	other	ADJ
eurjchem-2498	325	10	species	specie	NOUN
eurjchem-2498	325	11	;	;	PUNCT
eurjchem-2498	325	12	hence	hence	ADV
eurjchem-2498	325	13	,	,	PUNCT
eurjchem-2498	325	14	these	these	PRON
eurjchem-2498	325	15	are	be	AUX
eurjchem-2498	325	16	called	call	VERB
eurjchem-2498	325	17	the	the	DET
eurjchem-2498	325	18	frontier	frontier	NOUN
eurjchem-2498	325	19	orbitals	orbital	NOUN
eurjchem-2498	325	20	.	.	PUNCT
eurjchem-2498	326	1	homo	homo	NOUN
eurjchem-2498	326	2	,	,	PUNCT
eurjchem-2498	326	3	which	which	PRON
eurjchem-2498	326	4	can	can	AUX
eurjchem-2498	326	5	be	be	AUX
eurjchem-2498	326	6	thought	think	VERB
eurjchem-2498	326	7	of	of	ADP
eurjchem-2498	326	8	as	as	ADP
eurjchem-2498	326	9	the	the	DET
eurjchem-2498	326	10	outermost	outermost	ADJ
eurjchem-2498	326	11	orbital	orbital	ADJ
eurjchem-2498	326	12	containing	contain	VERB
eurjchem-2498	326	13	electrons	electron	NOUN
eurjchem-2498	326	14	,	,	PUNCT
eurjchem-2498	326	15	tends	tend	VERB
eurjchem-2498	326	16	to	to	PART
eurjchem-2498	326	17	give	give	VERB
eurjchem-2498	326	18	these	these	DET
eurjchem-2498	326	19	electrons	electron	NOUN
eurjchem-2498	326	20	as	as	ADP
eurjchem-2498	326	21	an	an	DET
eurjchem-2498	326	22	electron	electron	NOUN
eurjchem-2498	326	23	donor	donor	NOUN
eurjchem-2498	326	24	.	.	PUNCT
eurjchem-2498	327	1	in	in	ADP
eurjchem-2498	327	2	contrast	contrast	NOUN
eurjchem-2498	327	3	,	,	PUNCT
eurjchem-2498	327	4	lumo	lumo	NOUN
eurjchem-2498	327	5	is	be	AUX
eurjchem-2498	327	6	the	the	DET
eurjchem-2498	327	7	innermost	innermost	ADJ
eurjchem-2498	327	8	orbital	orbital	NOUN
eurjchem-2498	327	9	,	,	PUNCT
eurjchem-2498	327	10	containing	contain	VERB
eurjchem-2498	327	11	free	free	ADJ
eurjchem-2498	327	12	orbitals	orbital	NOUN
eurjchem-2498	327	13	to	to	PART
eurjchem-2498	327	14	accommodate	accommodate	VERB
eurjchem-2498	327	15	electrons	electron	NOUN
eurjchem-2498	327	16	[	[	X
eurjchem-2498	327	17	54	54	NUM
eurjchem-2498	327	18	]	]	PUNCT
eurjchem-2498	327	19	.	.	PUNCT
eurjchem-2498	328	1	the	the	DET
eurjchem-2498	328	2	values	value	NOUN
eurjchem-2498	328	3	of	of	ADP
eurjchem-2498	328	4	electronegativity	electronegativity	NOUN
eurjchem-2498	328	5	,	,	PUNCT
eurjchem-2498	328	6	chemical	chemical	NOUN
eurjchem-2498	328	7	hardness	hardness	NOUN
eurjchem-2498	328	8	,	,	PUNCT
eurjchem-2498	328	9	softness	softness	NOUN
eurjchem-2498	328	10	,	,	PUNCT
eurjchem-2498	328	11	and	and	CCONJ
eurjchem-2498	328	12	electrophilicity	electrophilicity	NOUN
eurjchem-2498	328	13	index	index	NOUN
eurjchem-2498	328	14	for	for	ADP
eurjchem-2498	328	15	compounds	compound	NOUN
eurjchem-2498	328	16	1	1	NUM
eurjchem-2498	328	17	and	and	CCONJ
eurjchem-2498	328	18	2	2	NUM
eurjchem-2498	328	19	are	be	AUX
eurjchem-2498	328	20	given	give	VERB
eurjchem-2498	328	21	in	in	ADP
eurjchem-2498	328	22	table	table	NOUN
eurjchem-2498	328	23	10	10	NUM
eurjchem-2498	328	24	.	.	PUNCT
eurjchem-2498	329	1	when	when	SCONJ
eurjchem-2498	329	2	the	the	DET
eurjchem-2498	329	3	chemical	chemical	NOUN
eurjchem-2498	329	4	hardness	hardness	NOUN
eurjchem-2498	329	5	is	be	AUX
eurjchem-2498	329	6	considered	consider	VERB
eurjchem-2498	329	7	,	,	PUNCT
eurjchem-2498	329	8	if	if	SCONJ
eurjchem-2498	329	9	one	one	NUM
eurjchem-2498	329	10	molecule	molecule	NOUN
eurjchem-2498	329	11	has	have	VERB
eurjchem-2498	329	12	a	a	DET
eurjchem-2498	329	13	large	large	ADJ
eurjchem-2498	329	14	homo	homo	NOUN
eurjchem-2498	329	15	-	-	PUNCT
eurjchem-2498	329	16	lumo	lumo	NOUN
eurjchem-2498	329	17	gap	gap	NOUN
eurjchem-2498	329	18	,	,	PUNCT
eurjchem-2498	329	19	then	then	ADV
eurjchem-2498	329	20	it	it	PRON
eurjchem-2498	329	21	is	be	AUX
eurjchem-2498	329	22	a	a	DET
eurjchem-2498	329	23	hard	hard	ADJ
eurjchem-2498	329	24	molecule	molecule	NOUN
eurjchem-2498	329	25	and	and	CCONJ
eurjchem-2498	329	26	vice	vice	NOUN
eurjchem-2498	329	27	versa	versa	ADV
eurjchem-2498	329	28	.	.	PUNCT
eurjchem-2498	330	1	if	if	SCONJ
eurjchem-2498	330	2	a	a	DET
eurjchem-2498	330	3	molecule	molecule	NOUN
eurjchem-2498	330	4	exhibits	exhibit	VERB
eurjchem-2498	330	5	the	the	DET
eurjchem-2498	330	6	least	least	ADJ
eurjchem-2498	330	7	homo	homo	ADJ
eurjchem-2498	330	8	-	-	PUNCT
eurjchem-2498	330	9	lumo	lumo	NOUN
eurjchem-2498	330	10	gap	gap	NOUN
eurjchem-2498	330	11	,	,	PUNCT
eurjchem-2498	330	12	it	it	PRON
eurjchem-2498	330	13	is	be	AUX
eurjchem-2498	330	14	more	more	ADV
eurjchem-2498	330	15	reactive	reactive	ADJ
eurjchem-2498	330	16	and	and	CCONJ
eurjchem-2498	330	17	softer	soft	ADJ
eurjchem-2498	330	18	[	[	X
eurjchem-2498	330	19	55,56	55,56	NOUN
eurjchem-2498	330	20	]	]	PUNCT
eurjchem-2498	330	21	.	.	PUNCT
eurjchem-2498	331	1	in	in	ADP
eurjchem-2498	331	2	compound	compound	NOUN
eurjchem-2498	331	3	1	1	NUM
eurjchem-2498	331	4	,	,	PUNCT
eurjchem-2498	331	5	figure	figure	NOUN
eurjchem-2498	331	6	8	8	NUM
eurjchem-2498	331	7	,	,	PUNCT
eurjchem-2498	331	8	homo	homo	NOUN
eurjchem-2498	331	9	is	be	AUX
eurjchem-2498	331	10	concentrated	concentrate	VERB
eurjchem-2498	331	11	on	on	ADP
eurjchem-2498	331	12	the	the	DET
eurjchem-2498	331	13	two	two	NUM
eurjchem-2498	331	14	azo	azo	NOUN
eurjchem-2498	331	15	nitrogen	nitrogen	NOUN
eurjchem-2498	331	16	atoms	atom	NOUN
eurjchem-2498	331	17	,	,	PUNCT
eurjchem-2498	331	18	and	and	CCONJ
eurjchem-2498	331	19	lumo	lumo	NOUN
eurjchem-2498	331	20	is	be	AUX
eurjchem-2498	331	21	spread	spread	VERB
eurjchem-2498	331	22	over	over	ADP
eurjchem-2498	331	23	the	the	DET
eurjchem-2498	331	24	phenoxy	phenoxy	ADJ
eurjchem-2498	331	25	ring	ring	NOUN
eurjchem-2498	331	26	and	and	CCONJ
eurjchem-2498	331	27	the	the	DET
eurjchem-2498	331	28	amine	amine	ADJ
eurjchem-2498	331	29	ring	ring	NOUN
eurjchem-2498	331	30	.	.	PUNCT
eurjchem-2498	332	1	on	on	ADP
eurjchem-2498	332	2	the	the	DET
eurjchem-2498	332	3	contrary	contrary	NOUN
eurjchem-2498	332	4	,	,	PUNCT
eurjchem-2498	332	5	the	the	DET
eurjchem-2498	332	6	homo	homo	NOUN
eurjchem-2498	332	7	in	in	ADP
eurjchem-2498	332	8	compound	compound	NOUN
eurjchem-2498	332	9	1	1	NUM
eurjchem-2498	332	10	is	be	AUX
eurjchem-2498	332	11	spread	spread	VERB
eurjchem-2498	332	12	over	over	ADP
eurjchem-2498	332	13	the	the	DET
eurjchem-2498	332	14	phenyl	phenyl	NOUN
eurjchem-2498	332	15	hydrazone	hydrazone	NOUN
eurjchem-2498	332	16	moiety	moiety	NOUN
eurjchem-2498	332	17	,	,	PUNCT
eurjchem-2498	332	18	the	the	DET
eurjchem-2498	332	19	phenoxy	phenoxy	ADJ
eurjchem-2498	332	20	moiety	moiety	NOUN
eurjchem-2498	332	21	,	,	PUNCT
eurjchem-2498	332	22	and	and	CCONJ
eurjchem-2498	332	23	the	the	DET
eurjchem-2498	332	24	lumo	lumo	NOUN
eurjchem-2498	332	25	exactly	exactly	ADV
eurjchem-2498	332	26	on	on	ADP
eurjchem-2498	332	27	the	the	DET
eurjchem-2498	332	28	other	other	ADJ
eurjchem-2498	332	29	side	side	NOUN
eurjchem-2498	332	30	of	of	ADP
eurjchem-2498	332	31	the	the	DET
eurjchem-2498	332	32	molecule	molecule	NOUN
eurjchem-2498	332	33	.	.	PUNCT
eurjchem-2498	333	1	the	the	DET
eurjchem-2498	333	2	energy	energy	NOUN
eurjchem-2498	333	3	difference	difference	NOUN
eurjchem-2498	333	4	between	between	ADP
eurjchem-2498	333	5	homo	homo	NOUN
eurjchem-2498	333	6	and	and	CCONJ
eurjchem-2498	333	7	lumo	lumo	NOUN
eurjchem-2498	333	8	is	be	AUX
eurjchem-2498	333	9	found	find	VERB
eurjchem-2498	333	10	to	to	PART
eurjchem-2498	333	11	be	be	AUX
eurjchem-2498	333	12	3.58	3.58	NUM
eurjchem-2498	333	13	and	and	CCONJ
eurjchem-2498	333	14	3.16	3.16	NUM
eurjchem-2498	333	15	ev	ev	INTJ
eurjchem-2498	333	16	in	in	ADP
eurjchem-2498	333	17	1	1	NUM
eurjchem-2498	333	18	and	and	CCONJ
eurjchem-2498	333	19	2	2	NUM
eurjchem-2498	333	20	,	,	PUNCT
eurjchem-2498	333	21	respectively	respectively	ADV
eurjchem-2498	333	22	,	,	PUNCT
eurjchem-2498	333	23	from	from	ADP
eurjchem-2498	333	24	which	which	PRON
eurjchem-2498	333	25	we	we	PRON
eurjchem-2498	333	26	argue	argue	VERB
eurjchem-2498	333	27	for	for	ADP
eurjchem-2498	333	28	the	the	DET
eurjchem-2498	333	29	enhanced	enhanced	ADJ
eurjchem-2498	333	30	reactivity	reactivity	NOUN
eurjchem-2498	333	31	of	of	ADP
eurjchem-2498	333	32	the	the	DET
eurjchem-2498	333	33	molecules	molecule	NOUN
eurjchem-2498	333	34	.	.	PUNCT
eurjchem-2498	334	1	the	the	DET
eurjchem-2498	334	2	molecule	molecule	NOUN
eurjchem-2498	334	3	with	with	ADP
eurjchem-2498	334	4	the	the	DET
eurjchem-2498	334	5	lowest	low	ADJ
eurjchem-2498	334	6	band	band	NOUN
eurjchem-2498	334	7	gap	gap	NOUN
eurjchem-2498	334	8	(	(	PUNCT
eurjchem-2498	334	9	g	g	NOUN
eurjchem-2498	334	10	)	)	PUNCT
eurjchem-2498	334	11	happens	happen	VERB
eurjchem-2498	334	12	to	to	PART
eurjchem-2498	334	13	be	be	AUX
eurjchem-2498	334	14	the	the	DET
eurjchem-2498	334	15	one	one	NOUN
eurjchem-2498	334	16	with	with	ADP
eurjchem-2498	334	17	the	the	DET
eurjchem-2498	334	18	highest	high	ADJ
eurjchem-2498	334	19	polarizability	polarizability	NOUN
eurjchem-2498	334	20	and	and	CCONJ
eurjchem-2498	334	21	dipole	dipole	NOUN
eurjchem-2498	334	22	moment	moment	NOUN
eurjchem-2498	334	23	.	.	PUNCT
eurjchem-2498	335	1	it	it	PRON
eurjchem-2498	335	2	also	also	ADV
eurjchem-2498	335	3	has	have	VERB
eurjchem-2498	335	4	the	the	DET
eurjchem-2498	335	5	highest	high	ADJ
eurjchem-2498	335	6	molecular	molecular	ADJ
eurjchem-2498	335	7	size	size	NOUN
eurjchem-2498	335	8	and	and	CCONJ
eurjchem-2498	335	9	the	the	DET
eurjchem-2498	335	10	highest	high	ADJ
eurjchem-2498	335	11	planarity	planarity	NOUN
eurjchem-2498	335	12	.	.	PUNCT
eurjchem-2498	336	1	this	this	PRON
eurjchem-2498	336	2	means	mean	VERB
eurjchem-2498	336	3	that	that	SCONJ
eurjchem-2498	336	4	the	the	DET
eurjchem-2498	336	5	molecule	molecule	NOUN
eurjchem-2498	336	6	is	be	AUX
eurjchem-2498	336	7	the	the	DET
eurjchem-2498	336	8	most	most	ADV
eurjchem-2498	336	9	reactive	reactive	ADJ
eurjchem-2498	336	10	and	and	CCONJ
eurjchem-2498	336	11	polarizable	polarizable	ADJ
eurjchem-2498	336	12	,	,	PUNCT
eurjchem-2498	336	13	has	have	VERB
eurjchem-2498	336	14	the	the	DET
eurjchem-2498	336	15	highest	high	ADJ
eurjchem-2498	336	16	electro	electro	ADJ
eurjchem-2498	336	17	-	-	PUNCT
eurjchem-2498	336	18	optic	optic	NOUN
eurjchem-2498	336	19	response	response	NOUN
eurjchem-2498	336	20	,	,	PUNCT
eurjchem-2498	336	21	and	and	CCONJ
eurjchem-2498	336	22	is	be	AUX
eurjchem-2498	336	23	the	the	DET
eurjchem-2498	336	24	softest	soft	ADJ
eurjchem-2498	336	25	[	[	X
eurjchem-2498	336	26	56	56	NUM
eurjchem-2498	336	27	]	]	PUNCT
eurjchem-2498	336	28	.	.	PUNCT
eurjchem-2498	337	1	compound	compound	NOUN
eurjchem-2498	337	2	2	2	NUM
eurjchem-2498	337	3	,	,	PUNCT
eurjchem-2498	337	4	with	with	ADP
eurjchem-2498	337	5	a	a	DET
eurjchem-2498	337	6	minimum	minimum	ADJ
eurjchem-2498	337	7	band	band	NOUN
eurjchem-2498	337	8	gap	gap	NOUN
eurjchem-2498	337	9	,	,	PUNCT
eurjchem-2498	337	10	is	be	AUX
eurjchem-2498	337	11	more	more	ADV
eurjchem-2498	337	12	reactive	reactive	ADJ
eurjchem-2498	337	13	;	;	PUNCT
eurjchem-2498	337	14	it	it	PRON
eurjchem-2498	337	15	is	be	AUX
eurjchem-2498	337	16	a	a	DET
eurjchem-2498	337	17	soft	soft	ADJ
eurjchem-2498	337	18	molecule	molecule	NOUN
eurjchem-2498	337	19	with	with	ADP
eurjchem-2498	337	20	several	several	ADJ
eurjchem-2498	337	21	transitions	transition	NOUN
eurjchem-2498	337	22	.	.	PUNCT
eurjchem-2498	338	1	electronic	electronic	ADJ
eurjchem-2498	338	2	communication	communication	NOUN
eurjchem-2498	338	3	between	between	ADP
eurjchem-2498	338	4	the	the	DET
eurjchem-2498	338	5	donor	donor	NOUN
eurjchem-2498	338	6	and	and	CCONJ
eurjchem-2498	338	7	acceptor	acceptor	NOUN
eurjchem-2498	338	8	increases	increase	NOUN
eurjchem-2498	338	9	when	when	SCONJ
eurjchem-2498	338	10	the	the	DET
eurjchem-2498	338	11	band	band	NOUN
eurjchem-2498	338	12	gap	gap	NOUN
eurjchem-2498	338	13	decreases	decrease	VERB
eurjchem-2498	338	14	and	and	CCONJ
eurjchem-2498	338	15	is	be	AUX
eurjchem-2498	338	16	expected	expect	VERB
eurjchem-2498	338	17	to	to	PART
eurjchem-2498	338	18	increase	increase	VERB
eurjchem-2498	338	19	more	more	ADV
eurjchem-2498	338	20	in	in	ADP
eurjchem-2498	338	21	compound	compound	NOUN
eurjchem-2498	338	22	2	2	NUM
eurjchem-2498	338	23	.	.	PUNCT
eurjchem-2498	339	1	this	this	DET
eurjchem-2498	339	2	minimum	minimum	ADJ
eurjchem-2498	339	3	band	band	NOUN
eurjchem-2498	339	4	gap	gap	NOUN
eurjchem-2498	339	5	in	in	ADP
eurjchem-2498	339	6	compound	compound	NOUN
eurjchem-2498	339	7	2	2	NUM
eurjchem-2498	339	8	can	can	AUX
eurjchem-2498	339	9	be	be	AUX
eurjchem-2498	339	10	attributed	attribute	VERB
eurjchem-2498	339	11	to	to	ADP
eurjchem-2498	339	12	increased	increase	VERB
eurjchem-2498	339	13	conjugation	conjugation	NOUN
eurjchem-2498	339	14	throughout	throughout	ADP
eurjchem-2498	339	15	the	the	DET
eurjchem-2498	339	16	molecule	molecule	NOUN
eurjchem-2498	339	17	.	.	PUNCT
eurjchem-2498	340	1	compound	compound	NOUN
eurjchem-2498	340	2	1	1	NUM
eurjchem-2498	340	3	exhibits	exhibit	VERB
eurjchem-2498	340	4	a	a	DET
eurjchem-2498	340	5	dipole	dipole	NOUN
eurjchem-2498	340	6	moment	moment	NOUN
eurjchem-2498	340	7	of	of	ADP
eurjchem-2498	340	8	4.99	4.99	NUM
eurjchem-2498	340	9	and	and	CCONJ
eurjchem-2498	340	10	a	a	DET
eurjchem-2498	340	11	polarizability	polarizability	NOUN
eurjchem-2498	340	12	of	of	ADP
eurjchem-2498	340	13	8.2	8.2	NUM
eurjchem-2498	340	14	,	,	PUNCT
eurjchem-2498	340	15	which	which	PRON
eurjchem-2498	340	16	is	be	AUX
eurjchem-2498	340	17	comparable	comparable	ADJ
eurjchem-2498	340	18	to	to	ADP
eurjchem-2498	340	19	its	its	PRON
eurjchem-2498	340	20	counterpart	counterpart	NOUN
eurjchem-2498	340	21	,	,	PUNCT
eurjchem-2498	340	22	and	and	CCONJ
eurjchem-2498	340	23	exhibits	exhibit	VERB
eurjchem-2498	340	24	a	a	DET
eurjchem-2498	340	25	planar	planar	ADJ
eurjchem-2498	340	26	structure	structure	NOUN
eurjchem-2498	340	27	,	,	PUNCT
eurjchem-2498	340	28	which	which	PRON
eurjchem-2498	340	29	enhances	enhance	VERB
eurjchem-2498	340	30	the	the	DET
eurjchem-2498	340	31	reactivity	reactivity	NOUN
eurjchem-2498	340	32	of	of	ADP
eurjchem-2498	340	33	the	the	DET
eurjchem-2498	340	34	molecule	molecule	NOUN
eurjchem-2498	341	1	[	[	X
eurjchem-2498	341	2	54,56	54,56	NOUN
eurjchem-2498	341	3	]	]	PUNCT
eurjchem-2498	341	4	.	.	PUNCT
eurjchem-2498	342	1	3.9	3.9	NUM
eurjchem-2498	342	2	.	.	PUNCT
eurjchem-2498	342	3	aromaticity	aromaticity	NOUN
eurjchem-2498	342	4	indices	indice	VERB
eurjchem-2498	342	5	the	the	DET
eurjchem-2498	342	6	neutral	neutral	ADJ
eurjchem-2498	342	7	and	and	CCONJ
eurjchem-2498	342	8	cation	cation	NOUN
eurjchem-2498	342	9	of	of	ADP
eurjchem-2498	342	10	compound	compound	NOUN
eurjchem-2498	342	11	2	2	NUM
eurjchem-2498	342	12	show	show	VERB
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eurjchem-2498	342	18	(	(	PUNCT
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eurjchem-2498	342	34	.	.	PUNCT
eurjchem-2498	343	1	the	the	DET
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eurjchem-2498	343	9	bq	bq	NOUN
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eurjchem-2498	343	11	bq	bq	INTJ
eurjchem-2498	343	12	(	(	PUNCT
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eurjchem-2498	343	19	plane	plane	NOUN
eurjchem-2498	343	20	–	–	PUNCT
eurjchem-2498	343	21	bq	bq	NOUN
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eurjchem-2498	343	23	below	below	ADP
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eurjchem-2498	343	25	above	above	ADP
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eurjchem-2498	343	28	(	(	PUNCT
eurjchem-2498	343	29	zz	zz	PROPN
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eurjchem-2498	343	35	.	.	PUNCT
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eurjchem-2498	344	11	(	(	PUNCT
eurjchem-2498	344	12	1	1	NUM
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eurjchem-2498	344	14	(	(	PUNCT
eurjchem-2498	344	15	2024	2024	NUM
eurjchem-2498	344	16	)	)	PUNCT
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eurjchem-2498	344	18	-	-	SYM
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eurjchem-2498	344	21	2024	2024	NUM
eurjchem-2498	344	22	–	–	PUNCT
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eurjchem-2498	344	24	journal	journal	NOUN
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eurjchem-2498	344	27	–	–	PUNCT
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eurjchem-2498	344	37	-	-	SYM
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eurjchem-2498	344	41	.	.	PUNCT
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eurjchem-2498	345	5	311+g	311+g	ADJ
eurjchem-2498	345	6	(	(	PUNCT
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eurjchem-2498	345	9	p	p	NOUN
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eurjchem-2498	345	18	(	(	PUNCT
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eurjchem-2498	345	23	anion	anion	NOUN
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eurjchem-2498	345	28	.	.	PUNCT
eurjchem-2498	345	29	bq	bq	NOUN
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eurjchem-2498	345	32	1	1	NUM
eurjchem-2498	345	33	(	(	PUNCT
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eurjchem-2498	345	42	(	(	PUNCT
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eurjchem-2498	345	47	(	(	PUNCT
eurjchem-2498	345	48	zz	zz	NOUN
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eurjchem-2498	345	52	(	(	PUNCT
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eurjchem-2498	348	45	(	(	PUNCT
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eurjchem-2498	353	20	(	(	PUNCT
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eurjchem-2498	353	25	(	(	PUNCT
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eurjchem-2498	353	56	0.0	0.0	NUM
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eurjchem-2498	354	3	0.5	0.5	NUM
eurjchem-2498	354	4	-9.5357	-9.5357	NOUN
eurjchem-2498	354	5	-20.3063	-20.3063	PUNCT
eurjchem-2498	354	6	-7.6089	-7.6089	NOUN
eurjchem-2498	354	7	-13.0472	-13.0472	PUNCT
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eurjchem-2498	354	9	-11.4971	-11.4971	NUM
eurjchem-2498	354	10	1.0	1.0	NUM
eurjchem-2498	354	11	-8.6674	-8.6674	X
eurjchem-2498	354	12	-24.2909	-24.2909	PUNCT
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eurjchem-2498	355	1	-20.9675	-20.9675	PUNCT
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eurjchem-2498	355	4	1.5	1.5	NUM
eurjchem-2498	355	5	-5.9230	-5.9230	NOUN
eurjchem-2498	355	6	-19.5300	-19.5300	INTJ
eurjchem-2498	355	7	-6.1079	-6.1079	X
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eurjchem-2498	355	11	2.0	2.0	NUM
eurjchem-2498	355	12	-3.6275	-3.6275	NOUN
eurjchem-2498	355	13	-13.6450	-13.6450	NUM
eurjchem-2498	355	14	-3.8897	-3.8897	PROPN
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eurjchem-2498	355	19	1	1	NUM
eurjchem-2498	355	20	compound	compound	NOUN
eurjchem-2498	355	21	2	2	NUM
eurjchem-2498	355	22	elumo	elumo	NOUN
eurjchem-2498	355	23	=	=	SYM
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eurjchem-2498	355	30	ehomo	ehomo	NOUN
eurjchem-2498	355	31	=	=	SYM
eurjchem-2498	356	1	-5.51	-5.51	NUM
eurjchem-2498	356	2	ev	ev	INTJ
eurjchem-2498	356	3	elumo	elumo	ADV
eurjchem-2498	356	4	=	=	SYM
eurjchem-2498	356	5	-2.58	-2.58	VERB
eurjchem-2498	356	6	ev	ev	INTJ
eurjchem-2498	356	7	δe	δe	NOUN
eurjchem-2498	356	8	=	=	PROPN
eurjchem-2498	356	9	3.16	3.16	NUM
eurjchem-2498	356	10	ev	ev	INTJ
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eurjchem-2498	356	12	=	=	SYM
eurjchem-2498	356	13	-5.74	-5.74	VERB
eurjchem-2498	356	14	ev	ev	INTJ
eurjchem-2498	356	15	figure	figure	NOUN
eurjchem-2498	356	16	8	8	NUM
eurjchem-2498	356	17	.	.	PUNCT
eurjchem-2498	357	1	homo	homo	NOUN
eurjchem-2498	357	2	-	-	PUNCT
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eurjchem-2498	357	5	compounds	compound	NOUN
eurjchem-2498	357	6	1	1	NUM
eurjchem-2498	357	7	and	and	CCONJ
eurjchem-2498	357	8	2	2	NUM
eurjchem-2498	357	9	.	.	X
eurjchem-2498	358	1	the	the	DET
eurjchem-2498	358	2	decreasing	decrease	VERB
eurjchem-2498	358	3	order	order	NOUN
eurjchem-2498	358	4	of	of	ADP
eurjchem-2498	358	5	nics	nic	NOUN
eurjchem-2498	358	6	is	be	AUX
eurjchem-2498	358	7	neutral	neutral	ADJ
eurjchem-2498	358	8	>	>	X
eurjchem-2498	358	9	cation	cation	NOUN
eurjchem-2498	358	10	>	>	PUNCT
eurjchem-2498	358	11	anion	anion	NOUN
eurjchem-2498	358	12	.	.	PUNCT
eurjchem-2498	359	1	however	however	ADV
eurjchem-2498	359	2	,	,	PUNCT
eurjchem-2498	359	3	in	in	ADP
eurjchem-2498	359	4	ring	ring	NOUN
eurjchem-2498	359	5	2	2	NUM
eurjchem-2498	359	6	(	(	PUNCT
eurjchem-2498	359	7	phenoxy	phenoxy	NOUN
eurjchem-2498	359	8	ring	ring	NOUN
eurjchem-2498	359	9	)	)	PUNCT
eurjchem-2498	359	10	,	,	PUNCT
eurjchem-2498	359	11	neutral	neutral	ADJ
eurjchem-2498	359	12	and	and	CCONJ
eurjchem-2498	359	13	anions	anion	NOUN
eurjchem-2498	359	14	have	have	VERB
eurjchem-2498	359	15	a	a	DET
eurjchem-2498	359	16	more	more	ADV
eurjchem-2498	359	17	considerable	considerable	ADJ
eurjchem-2498	359	18	nics	nic	NOUN
eurjchem-2498	359	19	negative	negative	ADJ
eurjchem-2498	359	20	value	value	NOUN
eurjchem-2498	359	21	than	than	ADP
eurjchem-2498	359	22	the	the	DET
eurjchem-2498	359	23	cation	cation	NOUN
eurjchem-2498	359	24	.	.	PUNCT
eurjchem-2498	360	1	the	the	DET
eurjchem-2498	360	2	maximum	maximum	ADJ
eurjchem-2498	360	3	negative	negative	ADJ
eurjchem-2498	360	4	value	value	NOUN
eurjchem-2498	360	5	is	be	AUX
eurjchem-2498	360	6	obtained	obtain	VERB
eurjchem-2498	360	7	for	for	ADP
eurjchem-2498	360	8	-1bq	-1bq	NUM
eurjchem-2498	360	9	and	and	CCONJ
eurjchem-2498	360	10	1bq	1bq	PROPN
eurjchem-2498	360	11	in	in	ADP
eurjchem-2498	360	12	neutral	neutral	ADJ
eurjchem-2498	360	13	species	specie	NOUN
eurjchem-2498	360	14	below	below	ADP
eurjchem-2498	360	15	and	and	CCONJ
eurjchem-2498	360	16	above	above	ADP
eurjchem-2498	360	17	the	the	DET
eurjchem-2498	360	18	ring	ring	NOUN
eurjchem-2498	360	19	(	(	PUNCT
eurjchem-2498	360	20	zz	zz	PROPN
eurjchem-2498	360	21	)	)	PUNCT
eurjchem-2498	360	22	.	.	PUNCT
eurjchem-2498	361	1	the	the	DET
eurjchem-2498	361	2	nics	nic	NOUN
eurjchem-2498	361	3	order	order	NOUN
eurjchem-2498	361	4	is	be	AUX
eurjchem-2498	361	5	cation	cation	NOUN
eurjchem-2498	361	6	<	<	X
eurjchem-2498	361	7	anion	anion	NOUN
eurjchem-2498	361	8	<	<	X
eurjchem-2498	361	9	neutral	neutral	ADJ
eurjchem-2498	361	10	.	.	PUNCT
eurjchem-2498	362	1	in	in	ADP
eurjchem-2498	362	2	ring	ring	NOUN
eurjchem-2498	362	3	3	3	NUM
eurjchem-2498	362	4	,	,	PUNCT
eurjchem-2498	362	5	the	the	DET
eurjchem-2498	362	6	neutral	neutral	ADJ
eurjchem-2498	362	7	and	and	CCONJ
eurjchem-2498	362	8	anion	anion	NOUN
eurjchem-2498	362	9	show	show	VERB
eurjchem-2498	362	10	a	a	DET
eurjchem-2498	362	11	more	more	ADV
eurjchem-2498	362	12	significant	significant	ADJ
eurjchem-2498	362	13	negative	negative	ADJ
eurjchem-2498	362	14	value	value	NOUN
eurjchem-2498	362	15	than	than	ADP
eurjchem-2498	362	16	the	the	DET
eurjchem-2498	362	17	cation	cation	NOUN
eurjchem-2498	362	18	.	.	PUNCT
eurjchem-2498	363	1	the	the	DET
eurjchem-2498	363	2	maximum	maximum	ADJ
eurjchem-2498	363	3	negative	negative	ADJ
eurjchem-2498	363	4	value	value	NOUN
eurjchem-2498	363	5	for	for	ADP
eurjchem-2498	363	6	1	1	NUM
eurjchem-2498	363	7	bq	bq	NOUN
eurjchem-2498	363	8	and	and	CCONJ
eurjchem-2498	363	9	-1	-1	ADP
eurjchem-2498	363	10	bq	bq	INTJ
eurjchem-2498	363	11	above	above	ADV
eurjchem-2498	363	12	and	and	CCONJ
eurjchem-2498	363	13	below	below	ADP
eurjchem-2498	363	14	the	the	DET
eurjchem-2498	363	15	ring	ring	NOUN
eurjchem-2498	363	16	in	in	ADP
eurjchem-2498	363	17	the	the	DET
eurjchem-2498	363	18	neutral	neutral	ADJ
eurjchem-2498	363	19	species	specie	NOUN
eurjchem-2498	363	20	is	be	AUX
eurjchem-2498	363	21	observed	observe	VERB
eurjchem-2498	363	22	.	.	PUNCT
eurjchem-2498	364	1	the	the	DET
eurjchem-2498	364	2	order	order	NOUN
eurjchem-2498	364	3	of	of	ADP
eurjchem-2498	364	4	the	the	DET
eurjchem-2498	364	5	nics	nic	NOUN
eurjchem-2498	364	6	value	value	NOUN
eurjchem-2498	364	7	is	be	AUX
eurjchem-2498	364	8	cation	cation	NOUN
eurjchem-2498	364	9	<	<	X
eurjchem-2498	364	10	anion	anion	NOUN
eurjchem-2498	364	11	<	<	X
eurjchem-2498	364	12	neutral	neutral	ADJ
eurjchem-2498	364	13	.	.	PUNCT
eurjchem-2498	365	1	the	the	DET
eurjchem-2498	365	2	nics	nic	NOUN
eurjchem-2498	365	3	value	value	NOUN
eurjchem-2498	365	4	of	of	ADP
eurjchem-2498	365	5	ring	ring	NOUN
eurjchem-2498	365	6	1	1	NUM
eurjchem-2498	365	7	differs	differ	VERB
eurjchem-2498	365	8	from	from	ADP
eurjchem-2498	365	9	the	the	DET
eurjchem-2498	365	10	order	order	NOUN
eurjchem-2498	365	11	of	of	ADP
eurjchem-2498	365	12	the	the	DET
eurjchem-2498	365	13	nics	nic	NOUN
eurjchem-2498	365	14	value	value	NOUN
eurjchem-2498	365	15	of	of	ADP
eurjchem-2498	365	16	ring	ring	NOUN
eurjchem-2498	365	17	2	2	NUM
eurjchem-2498	365	18	and	and	CCONJ
eurjchem-2498	365	19	ring	ring	NOUN
eurjchem-2498	365	20	3	3	NUM
eurjchem-2498	365	21	,	,	PUNCT
eurjchem-2498	365	22	and	and	CCONJ
eurjchem-2498	365	23	this	this	PRON
eurjchem-2498	365	24	may	may	AUX
eurjchem-2498	365	25	be	be	AUX
eurjchem-2498	365	26	attributed	attribute	VERB
eurjchem-2498	365	27	to	to	ADP
eurjchem-2498	365	28	the	the	DET
eurjchem-2498	365	29	occupancy	occupancy	NOUN
eurjchem-2498	365	30	of	of	ADP
eurjchem-2498	365	31	homo	homo	NOUN
eurjchem-2498	365	32	and	and	CCONJ
eurjchem-2498	365	33	lumo	lumo	NOUN
eurjchem-2498	365	34	in	in	ADP
eurjchem-2498	365	35	the	the	DET
eurjchem-2498	365	36	molecule	molecule	NOUN
eurjchem-2498	365	37	in	in	ADP
eurjchem-2498	365	38	different	different	ADJ
eurjchem-2498	365	39	ionic	ionic	ADJ
eurjchem-2498	365	40	states	state	NOUN
eurjchem-2498	365	41	of	of	ADP
eurjchem-2498	365	42	the	the	DET
eurjchem-2498	365	43	candidate	candidate	NOUN
eurjchem-2498	365	44	molecule	molecule	NOUN
eurjchem-2498	365	45	.	.	PUNCT
eurjchem-2498	366	1	the	the	DET
eurjchem-2498	366	2	homo	homo	NOUN
eurjchem-2498	366	3	is	be	AUX
eurjchem-2498	366	4	more	more	ADV
eurjchem-2498	366	5	contributed	contribute	VERB
eurjchem-2498	366	6	by	by	ADP
eurjchem-2498	366	7	the	the	DET
eurjchem-2498	366	8	azo	azo	NOUN
eurjchem-2498	366	9	group	group	NOUN
eurjchem-2498	366	10	than	than	ADP
eurjchem-2498	366	11	by	by	ADP
eurjchem-2498	366	12	the	the	DET
eurjchem-2498	366	13	rest	rest	NOUN
eurjchem-2498	366	14	of	of	ADP
eurjchem-2498	366	15	the	the	DET
eurjchem-2498	366	16	molecule	molecule	NOUN
eurjchem-2498	366	17	,	,	PUNCT
eurjchem-2498	366	18	and	and	CCONJ
eurjchem-2498	366	19	this	this	PRON
eurjchem-2498	366	20	is	be	AUX
eurjchem-2498	366	21	realized	realize	VERB
eurjchem-2498	366	22	in	in	ADP
eurjchem-2498	366	23	the	the	DET
eurjchem-2498	366	24	nics	nic	NOUN
eurjchem-2498	366	25	value	value	NOUN
eurjchem-2498	366	26	.	.	PUNCT
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eurjchem-2498	367	2	,	,	PUNCT
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eurjchem-2498	367	4	is	be	AUX
eurjchem-2498	367	5	contributed	contribute	VERB
eurjchem-2498	367	6	by	by	ADP
eurjchem-2498	367	7	rings	ring	NOUN
eurjchem-2498	367	8	1	1	NUM
eurjchem-2498	367	9	and	and	CCONJ
eurjchem-2498	367	10	2	2	NUM
eurjchem-2498	367	11	,	,	PUNCT
eurjchem-2498	367	12	shows	show	VERB
eurjchem-2498	367	13	its	its	PRON
eurjchem-2498	367	14	efficacy	efficacy	NOUN
eurjchem-2498	367	15	in	in	ADP
eurjchem-2498	367	16	accepting	accept	VERB
eurjchem-2498	367	17	any	any	DET
eurjchem-2498	367	18	number	number	NOUN
eurjchem-2498	367	19	of	of	ADP
eurjchem-2498	367	20	electrons	electron	NOUN
eurjchem-2498	367	21	,	,	PUNCT
eurjchem-2498	367	22	leading	lead	VERB
eurjchem-2498	367	23	to	to	ADP
eurjchem-2498	367	24	a	a	DET
eurjchem-2498	367	25	decrease	decrease	NOUN
eurjchem-2498	367	26	in	in	ADP
eurjchem-2498	367	27	the	the	DET
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eurjchem-2498	367	29	value	value	NOUN
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eurjchem-2498	367	31	57,58	57,58	NUM
eurjchem-2498	367	32	]	]	PUNCT
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eurjchem-2498	368	3	et	et	PROPN
eurjchem-2498	368	4	al	al	PROPN
eurjchem-2498	368	5	.	.	PUNCT
eurjchem-2498	368	6	/	/	SYM
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eurjchem-2498	368	8	journal	journal	PROPN
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eurjchem-2498	368	10	chemistry	chemistry	NOUN
eurjchem-2498	368	11	15	15	NUM
eurjchem-2498	368	12	(	(	PUNCT
eurjchem-2498	368	13	1	1	NUM
eurjchem-2498	368	14	)	)	PUNCT
eurjchem-2498	368	15	(	(	PUNCT
eurjchem-2498	368	16	2024	2024	NUM
eurjchem-2498	368	17	)	)	PUNCT
eurjchem-2498	368	18	50	50	NUM
eurjchem-2498	368	19	-	-	SYM
eurjchem-2498	368	20	70	70	NUM
eurjchem-2498	368	21	2024	2024	NUM
eurjchem-2498	368	22	–	–	PUNCT
eurjchem-2498	368	23	european	european	ADJ
eurjchem-2498	368	24	journal	journal	NOUN
eurjchem-2498	368	25	of	of	ADP
eurjchem-2498	368	26	chemistry	chemistry	NOUN
eurjchem-2498	368	27	–	–	PUNCT
eurjchem-2498	368	28	cc	cc	NOUN
eurjchem-2498	368	29	by	by	ADP
eurjchem-2498	368	30	nc	nc	PROPN
eurjchem-2498	368	31	–	–	PUNCT
eurjchem-2498	368	32	doi	doi	NOUN
eurjchem-2498	368	33	:	:	PUNCT
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eurjchem-2498	368	35	/	/	SYM
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eurjchem-2498	368	37	-	-	SYM
eurjchem-2498	368	38	70.2498	70.2498	NUM
eurjchem-2498	368	39	table	table	NOUN
eurjchem-2498	368	40	12	12	NUM
eurjchem-2498	368	41	.	.	PUNCT
eurjchem-2498	369	1	calculated	calculate	VERB
eurjchem-2498	369	2	local	local	ADJ
eurjchem-2498	369	3	reactivity	reactivity	NOUN
eurjchem-2498	369	4	properties	property	NOUN
eurjchem-2498	369	5	of	of	ADP
eurjchem-2498	369	6	compound	compound	NOUN
eurjchem-2498	369	7	1	1	NUM
eurjchem-2498	369	8	using	use	VERB
eurjchem-2498	369	9	b3lyp/6	b3lyp/6	PROPN
eurjchem-2498	369	10	-	-	NOUN
eurjchem-2498	369	11	311+g(d	311+g(d	PROPN
eurjchem-2498	369	12	,	,	PUNCT
eurjchem-2498	369	13	p	p	NOUN
eurjchem-2498	369	14	)	)	PUNCT
eurjchem-2498	369	15	method	method	NOUN
eurjchem-2498	369	16	for	for	ADP
eurjchem-2498	369	17	mulliken	mulliken	ADJ
eurjchem-2498	369	18	derived	derive	VERB
eurjchem-2498	369	19	charges	charge	NOUN
eurjchem-2498	369	20	.	.	PUNCT
eurjchem-2498	370	1	atoms	atom	NOUN
eurjchem-2498	370	2	fk+	fk+	PROPN
eurjchem-2498	370	3	fk∆fk(r	fk∆fk(r	PROPN
eurjchem-2498	370	4	)	)	PUNCT
eurjchem-2498	371	1	sk+	sk+	PROPN
eurjchem-2498	371	2	sksk+/sk∆sk(r	sksk+/sk∆sk(r	PROPN
eurjchem-2498	371	3	)	)	PUNCT
eurjchem-2498	371	4	ωk+	ωk+	NOUN
eurjchem-2498	371	5	ωk∆ωk(r	ωk∆ωk(r	PROPN
eurjchem-2498	371	6	)	)	PUNCT
eurjchem-2498	371	7	c1	c1	NOUN
eurjchem-2498	371	8	0.0364	0.0364	NUM
eurjchem-2498	371	9	-0.0610	-0.0610	VERB
eurjchem-2498	371	10	0.0974	0.0974	NUM
eurjchem-2498	371	11	0.0102	0.0102	NUM
eurjchem-2498	371	12	-0.0170	-0.0170	NOUN
eurjchem-2498	371	13	-0.5976	-0.5976	NOUN
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eurjchem-2498	372	2	0.1990	0.1990	NUM
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eurjchem-2498	372	4	0.5320	0.5320	NUM
eurjchem-2498	372	5	c2	c2	PROPN
eurjchem-2498	372	6	-0.0928	-0.0928	NOUN
eurjchem-2498	372	7	0.1705	0.1705	NUM
eurjchem-2498	372	8	-0.2633	-0.2633	NOUN
eurjchem-2498	372	9	-0.0259	-0.0259	NOUN
eurjchem-2498	372	10	0.0476	0.0476	NUM
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eurjchem-2498	391	8	9.48e-2	9.48e-2	NUM
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eurjchem-2498	391	14	–	–	PUNCT
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eurjchem-2498	393	22	.	.	PUNCT
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eurjchem-2498	394	41	comparing	compare	VERB
eurjchem-2498	394	42	rings	ring	NOUN
eurjchem-2498	394	43	1	1	NUM
eurjchem-2498	394	44	and	and	CCONJ
eurjchem-2498	394	45	3	3	NUM
eurjchem-2498	394	46	.	.	PUNCT
eurjchem-2498	395	1	the	the	DET
eurjchem-2498	395	2	hydroxyl	hydroxyl	NOUN
eurjchem-2498	395	3	ring	ring	NOUN
eurjchem-2498	395	4	(	(	PUNCT
eurjchem-2498	395	5	ring	ring	NOUN
eurjchem-2498	395	6	2	2	NUM
eurjchem-2498	395	7	)	)	PUNCT
eurjchem-2498	395	8	in	in	ADP
eurjchem-2498	395	9	compound	compound	NOUN
eurjchem-2498	395	10	2	2	NUM
eurjchem-2498	395	11	produces	produce	VERB
eurjchem-2498	395	12	0.9201	0.9201	NUM
eurjchem-2498	395	13	,	,	PUNCT
eurjchem-2498	395	14	compared	compare	VERB
eurjchem-2498	395	15	to	to	ADP
eurjchem-2498	395	16	0.8742	0.8742	NUM
eurjchem-2498	395	17	in	in	ADP
eurjchem-2498	395	18	ring	ring	NOUN
eurjchem-2498	395	19	2	2	NUM
eurjchem-2498	395	20	in	in	ADP
eurjchem-2498	395	21	compound	compound	NOUN
eurjchem-2498	395	22	1	1	NUM
eurjchem-2498	395	23	.	.	PUNCT
eurjchem-2498	396	1	in	in	ADP
eurjchem-2498	396	2	the	the	DET
eurjchem-2498	396	3	cationic	cationic	ADJ
eurjchem-2498	396	4	state	state	NOUN
eurjchem-2498	396	5	,	,	PUNCT
eurjchem-2498	396	6	compound	compound	NOUN
eurjchem-2498	396	7	1	1	NUM
eurjchem-2498	396	8	exhibits	exhibit	VERB
eurjchem-2498	396	9	the	the	DET
eurjchem-2498	396	10	same	same	ADJ
eurjchem-2498	396	11	homa	homa	NOUN
eurjchem-2498	396	12	value	value	NOUN
eurjchem-2498	396	13	for	for	ADP
eurjchem-2498	396	14	ring	ring	NOUN
eurjchem-2498	396	15	1	1	NUM
eurjchem-2498	396	16	and	and	CCONJ
eurjchem-2498	396	17	ring	ring	NOUN
eurjchem-2498	396	18	2	2	NUM
eurjchem-2498	396	19	,	,	PUNCT
eurjchem-2498	396	20	and	and	CCONJ
eurjchem-2498	396	21	is	be	AUX
eurjchem-2498	396	22	higher	high	ADJ
eurjchem-2498	396	23	compared	compare	VERB
eurjchem-2498	396	24	to	to	ADP
eurjchem-2498	396	25	the	the	DET
eurjchem-2498	396	26	value	value	NOUN
eurjchem-2498	396	27	of	of	ADP
eurjchem-2498	396	28	ring	ring	NOUN
eurjchem-2498	396	29	3	3	NUM
eurjchem-2498	396	30	.	.	PUNCT
eurjchem-2498	397	1	on	on	ADP
eurjchem-2498	397	2	the	the	DET
eurjchem-2498	397	3	contrary	contrary	NOUN
eurjchem-2498	397	4	,	,	PUNCT
eurjchem-2498	397	5	in	in	ADP
eurjchem-2498	397	6	compound	compound	NOUN
eurjchem-2498	397	7	2	2	NUM
eurjchem-2498	397	8	,	,	PUNCT
eurjchem-2498	397	9	ring	re	VERB
eurjchem-2498	397	10	3	3	NUM
eurjchem-2498	397	11	shows	show	VERB
eurjchem-2498	397	12	a	a	DET
eurjchem-2498	397	13	higher	high	ADJ
eurjchem-2498	397	14	homa	homa	NOUN
eurjchem-2498	397	15	value	value	NOUN
eurjchem-2498	397	16	,	,	PUNCT
eurjchem-2498	397	17	followed	follow	VERB
eurjchem-2498	397	18	by	by	ADP
eurjchem-2498	397	19	ring	ring	NOUN
eurjchem-2498	397	20	1	1	NUM
eurjchem-2498	397	21	and	and	CCONJ
eurjchem-2498	397	22	ring	ring	NOUN
eurjchem-2498	397	23	2	2	NUM
eurjchem-2498	397	24	.	.	PUNCT
eurjchem-2498	397	25	when	when	SCONJ
eurjchem-2498	397	26	the	the	DET
eurjchem-2498	397	27	neutral	neutral	ADJ
eurjchem-2498	397	28	state	state	NOUN
eurjchem-2498	397	29	is	be	AUX
eurjchem-2498	397	30	excluded	exclude	VERB
eurjchem-2498	397	31	from	from	ADP
eurjchem-2498	397	32	all	all	DET
eurjchem-2498	397	33	other	other	ADJ
eurjchem-2498	397	34	states	state	NOUN
eurjchem-2498	397	35	stated	state	VERB
eurjchem-2498	397	36	in	in	ADP
eurjchem-2498	397	37	compound	compound	NOUN
eurjchem-2498	397	38	2	2	NUM
eurjchem-2498	397	39	,	,	PUNCT
eurjchem-2498	397	40	ring	ring	NOUN
eurjchem-2498	397	41	2	2	NUM
eurjchem-2498	397	42	shows	show	VERB
eurjchem-2498	397	43	a	a	DET
eurjchem-2498	397	44	lower	low	ADJ
eurjchem-2498	397	45	homa	homa	NOUN
eurjchem-2498	397	46	value	value	NOUN
eurjchem-2498	397	47	than	than	ADP
eurjchem-2498	397	48	its	its	PRON
eurjchem-2498	397	49	counterpart	counterpart	NOUN
eurjchem-2498	397	50	.	.	PUNCT
eurjchem-2498	398	1	this	this	PRON
eurjchem-2498	398	2	is	be	AUX
eurjchem-2498	398	3	evident	evident	ADJ
eurjchem-2498	398	4	in	in	ADP
eurjchem-2498	398	5	the	the	DET
eurjchem-2498	398	6	less	less	ADV
eurjchem-2498	398	7	aromatic	aromatic	ADJ
eurjchem-2498	398	8	character	character	NOUN
eurjchem-2498	398	9	of	of	ADP
eurjchem-2498	398	10	ring	ring	NOUN
eurjchem-2498	398	11	2	2	NUM
eurjchem-2498	398	12	,	,	PUNCT
eurjchem-2498	398	13	which	which	PRON
eurjchem-2498	398	14	is	be	AUX
eurjchem-2498	398	15	also	also	ADV
eurjchem-2498	398	16	supported	support	VERB
eurjchem-2498	398	17	by	by	ADP
eurjchem-2498	398	18	the	the	DET
eurjchem-2498	398	19	orientation	orientation	NOUN
eurjchem-2498	398	20	of	of	ADP
eurjchem-2498	398	21	lumo	lumo	NOUN
eurjchem-2498	398	22	to	to	ADP
eurjchem-2498	398	23	the	the	DET
eurjchem-2498	398	24	hydroxyl	hydroxyl	NOUN
eurjchem-2498	398	25	ring	ring	NOUN
eurjchem-2498	398	26	and	and	CCONJ
eurjchem-2498	398	27	the	the	DET
eurjchem-2498	398	28	lower	low	ADJ
eurjchem-2498	398	29	nics	nic	NOUN
eurjchem-2498	398	30	value	value	NOUN
eurjchem-2498	398	31	[	[	X
eurjchem-2498	398	32	59	59	NUM
eurjchem-2498	398	33	]	]	PUNCT
eurjchem-2498	398	34	.	.	PUNCT
eurjchem-2498	399	1	3.11	3.11	NUM
eurjchem-2498	399	2	.	.	PUNCT
eurjchem-2498	399	3	fukui	fukui	PROPN
eurjchem-2498	399	4	function	function	VERB
eurjchem-2498	399	5	a	a	DET
eurjchem-2498	399	6	molecule	molecule	NOUN
eurjchem-2498	399	7	is	be	AUX
eurjchem-2498	399	8	susceptible	susceptible	ADJ
eurjchem-2498	399	9	to	to	ADP
eurjchem-2498	399	10	nucleophilic	nucleophilic	ADJ
eurjchem-2498	399	11	attack	attack	NOUN
eurjchem-2498	399	12	at	at	ADP
eurjchem-2498	399	13	sites	site	NOUN
eurjchem-2498	399	14	where	where	SCONJ
eurjchem-2498	399	15	fk+	fk+	NOUN
eurjchem-2498	399	16	is	be	AUX
eurjchem-2498	399	17	large	large	ADJ
eurjchem-2498	399	18	.	.	PUNCT
eurjchem-2498	400	1	similarly	similarly	ADV
eurjchem-2498	400	2	,	,	PUNCT
eurjchem-2498	400	3	a	a	DET
eurjchem-2498	400	4	molecule	molecule	NOUN
eurjchem-2498	400	5	is	be	AUX
eurjchem-2498	400	6	susceptible	susceptible	ADJ
eurjchem-2498	400	7	to	to	ADP
eurjchem-2498	400	8	electrophilic	electrophilic	ADJ
eurjchem-2498	400	9	attack	attack	NOUN
eurjchem-2498	400	10	at	at	ADP
eurjchem-2498	400	11	sites	site	NOUN
eurjchem-2498	400	12	where	where	SCONJ
eurjchem-2498	400	13	fkis	fkis	PROPN
eurjchem-2498	400	14	large	large	ADJ
eurjchem-2498	400	15	,	,	PUNCT
eurjchem-2498	400	16	because	because	SCONJ
eurjchem-2498	400	17	these	these	PRON
eurjchem-2498	400	18	are	be	AUX
eurjchem-2498	400	19	the	the	DET
eurjchem-2498	400	20	regions	region	NOUN
eurjchem-2498	400	21	where	where	SCONJ
eurjchem-2498	400	22	electron	electron	NOUN
eurjchem-2498	400	23	removal	removal	NOUN
eurjchem-2498	400	24	destabilizes	destabilize	VERB
eurjchem-2498	400	25	the	the	DET
eurjchem-2498	400	26	molecule	molecule	NOUN
eurjchem-2498	400	27	the	the	DET
eurjchem-2498	400	28	least	least	ADJ
eurjchem-2498	400	29	[	[	SYM
eurjchem-2498	400	30	60	60	NUM
eurjchem-2498	400	31	]	]	PUNCT
eurjchem-2498	400	32	.	.	PUNCT
eurjchem-2498	401	1	the	the	DET
eurjchem-2498	401	2	calculated	calculated	ADJ
eurjchem-2498	401	3	values	value	NOUN
eurjchem-2498	401	4	of	of	ADP
eurjchem-2498	401	5	the	the	DET
eurjchem-2498	401	6	fukui	fukui	PROPN
eurjchem-2498	401	7	function	function	NOUN
eurjchem-2498	401	8	are	be	AUX
eurjchem-2498	401	9	presented	present	VERB
eurjchem-2498	401	10	in	in	ADP
eurjchem-2498	401	11	tables	table	NOUN
eurjchem-2498	401	12	12	12	NUM
eurjchem-2498	401	13	and	and	CCONJ
eurjchem-2498	401	14	13	13	NUM
eurjchem-2498	401	15	.	.	PUNCT
eurjchem-2498	402	1	in	in	ADP
eurjchem-2498	402	2	compound	compound	NOUN
eurjchem-2498	402	3	1	1	NUM
eurjchem-2498	402	4	,	,	PUNCT
eurjchem-2498	402	5	the	the	DET
eurjchem-2498	402	6	increasing	increase	VERB
eurjchem-2498	402	7	order	order	NOUN
eurjchem-2498	402	8	of	of	ADP
eurjchem-2498	402	9	nucleophilic	nucleophilic	ADJ
eurjchem-2498	402	10	attack	attack	NOUN
eurjchem-2498	402	11	is	be	AUX
eurjchem-2498	402	12	c37	c37	NOUN
eurjchem-2498	402	13	<	<	X
eurjchem-2498	402	14	c5	c5	PROPN
eurjchem-2498	402	15	<	<	X
eurjchem-2498	402	16	c21	c21	PROPN
eurjchem-2498	402	17	<	<	X
eurjchem-2498	402	18	c17	c17	NOUN
eurjchem-2498	402	19	<	<	X
eurjchem-2498	402	20	c35	c35	PROPN
eurjchem-2498	402	21	<	<	X
eurjchem-2498	402	22	c39	c39	NOUN
eurjchem-2498	402	23	<	<	X
eurjchem-2498	402	24	o25	o25	PROPN
eurjchem-2498	402	25	<	<	X
eurjchem-2498	402	26	c1	c1	PROPN
eurjchem-2498	402	27	<	<	X
eurjchem-2498	402	28	n11	n11	PROPN
eurjchem-2498	402	29	<	<	X
eurjchem-2498	402	30	n29	n29	PROPN
eurjchem-2498	402	31	<	<	X
eurjchem-2498	402	32	c27	c27	PROPN
eurjchem-2498	402	33	<	<	X
eurjchem-2498	402	34	c23	c23	PROPN
eurjchem-2498	402	35	<	<	X
eurjchem-2498	402	36	c32	c32	PROPN
eurjchem-2498	402	37	<	<	X
eurjchem-2498	402	38	c16	c16	PROPN
eurjchem-2498	402	39	<	<	X
eurjchem-2498	402	40	c6	c6	PROPN
eurjchem-2498	402	41	<	<	X
eurjchem-2498	402	42	n14	n14	PROPN
eurjchem-2498	402	43	<	<	X
eurjchem-2498	402	44	n15	n15	PROPN
eurjchem-2498	402	45	<	<	X
eurjchem-2498	402	46	c4	c4	PROPN
eurjchem-2498	402	47	.	.	PUNCT
eurjchem-2498	403	1	c4	c4	NOUN
eurjchem-2498	403	2	carbon	carbon	NOUN
eurjchem-2498	403	3	is	be	AUX
eurjchem-2498	403	4	more	more	ADV
eurjchem-2498	403	5	prone	prone	ADJ
eurjchem-2498	403	6	to	to	ADP
eurjchem-2498	403	7	nucleophilic	nucleophilic	ADJ
eurjchem-2498	403	8	attack	attack	NOUN
eurjchem-2498	403	9	.	.	PUNCT
eurjchem-2498	404	1	c23	c23	PROPN
eurjchem-2498	404	2	in	in	ADP
eurjchem-2498	404	3	compound	compound	PROPN
eurjchem-2498	404	4	1	1	NUM
eurjchem-2498	404	5	is	be	AUX
eurjchem-2498	404	6	found	find	VERB
eurjchem-2498	404	7	to	to	PART
eurjchem-2498	404	8	be	be	AUX
eurjchem-2498	404	9	the	the	DET
eurjchem-2498	404	10	most	most	ADV
eurjchem-2498	404	11	reactive	reactive	ADJ
eurjchem-2498	404	12	site	site	NOUN
eurjchem-2498	404	13	to	to	ADP
eurjchem-2498	404	14	electrophiles	electrophile	NOUN
eurjchem-2498	404	15	[	[	PRON
eurjchem-2498	404	16	61	61	NUM
eurjchem-2498	404	17	]	]	PUNCT
eurjchem-2498	404	18	.	.	PUNCT
eurjchem-2498	405	1	the	the	DET
eurjchem-2498	405	2	decreasing	decrease	VERB
eurjchem-2498	405	3	order	order	NOUN
eurjchem-2498	405	4	of	of	ADP
eurjchem-2498	405	5	electrophilic	electrophilic	ADJ
eurjchem-2498	405	6	attack	attack	NOUN
eurjchem-2498	405	7	is	be	AUX
eurjchem-2498	405	8	c23	c23	PROPN
eurjchem-2498	405	9	>	>	X
eurjchem-2498	405	10	c2	c2	PROPN
eurjchem-2498	405	11	>	>	X
eurjchem-2498	405	12	c6	c6	PROPN
eurjchem-2498	405	13	>	>	X
eurjchem-2498	405	14	c32	c32	PROPN
eurjchem-2498	405	15	>	>	SYM
eurjchem-2498	405	16	n29	n29	PROPN
eurjchem-2498	405	17	>	>	X
eurjchem-2498	405	18	c3	c3	PROPN
eurjchem-2498	405	19	>	>	X
eurjchem-2498	405	20	c17	c17	PROPN
eurjchem-2498	405	21	>	>	X
eurjchem-2498	405	22	c33	c33	PROPN
eurjchem-2498	405	23	>	>	X
eurjchem-2498	405	24	c27	c27	PROPN
eurjchem-2498	405	25	>	>	X
eurjchem-2498	405	26	o25	o25	PROPN
eurjchem-2498	405	27	>	>	X
eurjchem-2498	405	28	c37	c37	PROPN
eurjchem-2498	405	29	>	>	X
eurjchem-2498	405	30	c18	c18	NOUN
eurjchem-2498	405	31	.	.	PUNCT
eurjchem-2498	406	1	in	in	ADP
eurjchem-2498	406	2	compound	compound	NOUN
eurjchem-2498	406	3	2	2	NUM
eurjchem-2498	406	4	the	the	DET
eurjchem-2498	406	5	increasing	increase	VERB
eurjchem-2498	406	6	order	order	NOUN
eurjchem-2498	406	7	of	of	ADP
eurjchem-2498	406	8	nucleophilic	nucleophilic	ADJ
eurjchem-2498	406	9	attack	attack	NOUN
eurjchem-2498	406	10	is	be	AUX
eurjchem-2498	406	11	c40	c40	NOUN
eurjchem-2498	406	12	<	<	X
eurjchem-2498	406	13	c42	c42	PROPN
eurjchem-2498	406	14	<	<	X
eurjchem-2498	406	15	c44	c44	X
eurjchem-2498	406	16	<	<	X
eurjchem-2498	406	17	c5	c5	PROPN
eurjchem-2498	406	18	<	<	X
eurjchem-2498	406	19	c3	c3	X
eurjchem-2498	406	20	<	<	X
eurjchem-2498	406	21	c24	c24	PROPN
eurjchem-2498	406	22	<	<	X
eurjchem-2498	406	23	c38	c38	NOUN
eurjchem-2498	406	24	<	<	X
eurjchem-2498	406	25	c4	c4	PROPN
eurjchem-2498	406	26	<	<	X
eurjchem-2498	406	27	c21	c21	X
eurjchem-2498	406	28	<	<	X
eurjchem-2498	406	29	c6	c6	PROPN
eurjchem-2498	406	30	.	.	PUNCT
eurjchem-2498	407	1	c6	c6	PROPN
eurjchem-2498	407	2	and	and	CCONJ
eurjchem-2498	407	3	c21	c21	PROPN
eurjchem-2498	407	4	,	,	PUNCT
eurjchem-2498	407	5	which	which	PRON
eurjchem-2498	407	6	are	be	AUX
eurjchem-2498	407	7	directly	directly	ADV
eurjchem-2498	407	8	attached	attach	VERB
eurjchem-2498	407	9	to	to	ADP
eurjchem-2498	407	10	the	the	DET
eurjchem-2498	407	11	anilide	anilide	ADJ
eurjchem-2498	407	12	and	and	CCONJ
eurjchem-2498	407	13	azo	azo	NOUN
eurjchem-2498	407	14	groups	group	NOUN
eurjchem-2498	407	15	,	,	PUNCT
eurjchem-2498	407	16	are	be	AUX
eurjchem-2498	407	17	deficient	deficient	ADJ
eurjchem-2498	407	18	in	in	ADP
eurjchem-2498	407	19	electron	electron	NOUN
eurjchem-2498	407	20	density	density	NOUN
eurjchem-2498	407	21	and	and	CCONJ
eurjchem-2498	407	22	prone	prone	ADJ
eurjchem-2498	407	23	to	to	ADP
eurjchem-2498	407	24	nucleophilic	nucleophilic	ADJ
eurjchem-2498	407	25	attack	attack	NOUN
eurjchem-2498	407	26	[	[	X
eurjchem-2498	407	27	61	61	NUM
eurjchem-2498	407	28	]	]	PUNCT
eurjchem-2498	407	29	.	.	PUNCT
eurjchem-2498	408	1	the	the	DET
eurjchem-2498	408	2	order	order	NOUN
eurjchem-2498	408	3	of	of	ADP
eurjchem-2498	408	4	electrophilic	electrophilic	ADJ
eurjchem-2498	408	5	attack	attack	NOUN
eurjchem-2498	408	6	is	be	AUX
eurjchem-2498	408	7	found	find	VERB
eurjchem-2498	408	8	to	to	PART
eurjchem-2498	408	9	be	be	AUX
eurjchem-2498	408	10	c22	c22	PROPN
eurjchem-2498	408	11	>	>	X
eurjchem-2498	408	12	c2	c2	PROPN
eurjchem-2498	408	13	>	>	X
eurjchem-2498	408	14	c28	c28	PROPN
eurjchem-2498	408	15	>	>	X
eurjchem-2498	408	16	c3	c3	PROPN
eurjchem-2498	408	17	>	>	X
eurjchem-2498	408	18	c44	c44	PROPN
eurjchem-2498	408	19	>	>	X
eurjchem-2498	408	20	c39	c39	NOUN
eurjchem-2498	408	21	>	>	X
eurjchem-2498	408	22	c40	c40	PROPN
eurjchem-2498	408	23	>	>	X
eurjchem-2498	408	24	c38	c38	PROPN
eurjchem-2498	408	25	>	>	X
eurjchem-2498	408	26	c26	c26	NOUN
eurjchem-2498	409	1	[	[	X
eurjchem-2498	409	2	62	62	NUM
eurjchem-2498	409	3	]	]	PUNCT
eurjchem-2498	409	4	.	.	PUNCT
eurjchem-2498	410	1	3.12	3.12	NUM
eurjchem-2498	410	2	.	.	PUNCT
eurjchem-2498	411	1	mep	mep	PROPN
eurjchem-2498	411	2	the	the	DET
eurjchem-2498	411	3	mep	mep	PROPN
eurjchem-2498	411	4	surface	surface	NOUN
eurjchem-2498	411	5	throws	throw	VERB
eurjchem-2498	411	6	light	light	NOUN
eurjchem-2498	411	7	on	on	ADP
eurjchem-2498	411	8	the	the	DET
eurjchem-2498	411	9	reactivity	reactivity	NOUN
eurjchem-2498	411	10	of	of	ADP
eurjchem-2498	411	11	a	a	DET
eurjchem-2498	411	12	molecule	molecule	NOUN
eurjchem-2498	411	13	in	in	SCONJ
eurjchem-2498	411	14	that	that	SCONJ
eurjchem-2498	411	15	the	the	DET
eurjchem-2498	411	16	negative	negative	ADJ
eurjchem-2498	411	17	region	region	NOUN
eurjchem-2498	411	18	is	be	AUX
eurjchem-2498	411	19	prone	prone	ADJ
eurjchem-2498	411	20	to	to	ADP
eurjchem-2498	411	21	electrophilic	electrophilic	ADJ
eurjchem-2498	411	22	sites	site	NOUN
eurjchem-2498	411	23	,	,	PUNCT
eurjchem-2498	411	24	while	while	SCONJ
eurjchem-2498	411	25	the	the	DET
eurjchem-2498	411	26	positive	positive	ADJ
eurjchem-2498	411	27	region	region	NOUN
eurjchem-2498	411	28	is	be	AUX
eurjchem-2498	411	29	a	a	DET
eurjchem-2498	411	30	nucleophilic	nucleophilic	ADJ
eurjchem-2498	411	31	site	site	NOUN
eurjchem-2498	411	32	[	[	X
eurjchem-2498	411	33	63,64	63,64	NOUN
eurjchem-2498	411	34	]	]	X
eurjchem-2498	411	35	.	.	PUNCT
eurjchem-2498	412	1	in	in	ADP
eurjchem-2498	412	2	figure	figure	NOUN
eurjchem-2498	412	3	9	9	NUM
eurjchem-2498	412	4	,	,	PUNCT
eurjchem-2498	412	5	the	the	DET
eurjchem-2498	412	6	electrophilic	electrophilic	ADJ
eurjchem-2498	412	7	region	region	NOUN
eurjchem-2498	412	8	is	be	AUX
eurjchem-2498	412	9	shown	show	VERB
eurjchem-2498	412	10	as	as	SCONJ
eurjchem-2498	412	11	the	the	DET
eurjchem-2498	412	12	negative	negative	ADJ
eurjchem-2498	412	13	region	region	NOUN
eurjchem-2498	412	14	(	(	PUNCT
eurjchem-2498	412	15	red	red	ADJ
eurjchem-2498	412	16	color	color	NOUN
eurjchem-2498	412	17	)	)	PUNCT
eurjchem-2498	412	18	region	region	NOUN
eurjchem-2498	412	19	,	,	PUNCT
eurjchem-2498	412	20	and	and	CCONJ
eurjchem-2498	412	21	the	the	DET
eurjchem-2498	412	22	nucleophilic	nucleophilic	ADJ
eurjchem-2498	412	23	center	center	NOUN
eurjchem-2498	412	24	is	be	AUX
eurjchem-2498	412	25	shown	show	VERB
eurjchem-2498	412	26	as	as	ADP
eurjchem-2498	412	27	the	the	DET
eurjchem-2498	412	28	positive	positive	ADJ
eurjchem-2498	412	29	region	region	NOUN
eurjchem-2498	412	30	(	(	PUNCT
eurjchem-2498	412	31	blue	blue	ADJ
eurjchem-2498	412	32	color	color	NOUN
eurjchem-2498	412	33	)	)	PUNCT
eurjchem-2498	412	34	region	region	NOUN
eurjchem-2498	412	35	of	of	ADP
eurjchem-2498	412	36	mep	mep	PROPN
eurjchem-2498	412	37	.	.	PUNCT
eurjchem-2498	413	1	the	the	DET
eurjchem-2498	413	2	potential	potential	ADJ
eurjchem-2498	413	3	increases	increase	NOUN
eurjchem-2498	413	4	as	as	ADP
eurjchem-2498	413	5	the	the	DET
eurjchem-2498	413	6	color	color	NOUN
eurjchem-2498	413	7	changes	change	VERB
eurjchem-2498	413	8	from	from	ADP
eurjchem-2498	413	9	red	red	ADJ
eurjchem-2498	413	10	,	,	PUNCT
eurjchem-2498	413	11	orange	orange	ADJ
eurjchem-2498	413	12	,	,	PUNCT
eurjchem-2498	413	13	yellow	yellow	ADJ
eurjchem-2498	413	14	,	,	PUNCT
eurjchem-2498	413	15	green	green	ADJ
eurjchem-2498	413	16	,	,	PUNCT
eurjchem-2498	413	17	and	and	CCONJ
eurjchem-2498	413	18	blue	blue	ADJ
eurjchem-2498	413	19	.	.	PUNCT
eurjchem-2498	414	1	the	the	DET
eurjchem-2498	414	2	negative	negative	ADJ
eurjchem-2498	414	3	potential	potential	NOUN
eurjchem-2498	414	4	for	for	ADP
eurjchem-2498	414	5	compound	compound	NOUN
eurjchem-2498	414	6	1	1	NUM
eurjchem-2498	414	7	starts	start	NOUN
eurjchem-2498	414	8	at	at	ADP
eurjchem-2498	414	9	-9.48×10	-9.48×10	PROPN
eurjchem-2498	414	10	-	-	PUNCT
eurjchem-2498	414	11	2	2	NUM
eurjchem-2498	414	12	and	and	CCONJ
eurjchem-2498	414	13	is	be	AUX
eurjchem-2498	414	14	distributed	distribute	VERB
eurjchem-2498	414	15	over	over	ADP
eurjchem-2498	414	16	the	the	DET
eurjchem-2498	414	17	phenyl	phenyl	NOUN
eurjchem-2498	414	18	rings	ring	NOUN
eurjchem-2498	414	19	1	1	NUM
eurjchem-2498	414	20	and	and	CCONJ
eurjchem-2498	414	21	2	2	NUM
eurjchem-2498	414	22	.	.	X
eurjchem-2498	415	1	it	it	PRON
eurjchem-2498	415	2	may	may	AUX
eurjchem-2498	415	3	be	be	AUX
eurjchem-2498	415	4	due	due	ADJ
eurjchem-2498	415	5	to	to	ADP
eurjchem-2498	415	6	delocalization	delocalization	NOUN
eurjchem-2498	415	7	of	of	ADP
eurjchem-2498	415	8	π	π	NOUN
eurjchem-2498	415	9	-	-	NOUN
eurjchem-2498	415	10	electrons	electron	NOUN
eurjchem-2498	415	11	and	and	CCONJ
eurjchem-2498	415	12	is	be	AUX
eurjchem-2498	415	13	prone	prone	ADJ
eurjchem-2498	415	14	to	to	ADP
eurjchem-2498	415	15	electrophilic	electrophilic	ADJ
eurjchem-2498	415	16	attack	attack	NOUN
eurjchem-2498	415	17	.	.	PUNCT
eurjchem-2498	416	1	the	the	DET
eurjchem-2498	416	2	regions	region	NOUN
eurjchem-2498	416	3	near	near	ADP
eurjchem-2498	416	4	nitrogen	nitrogen	NOUN
eurjchem-2498	416	5	are	be	AUX
eurjchem-2498	416	6	blue	blue	ADJ
eurjchem-2498	416	7	,	,	PUNCT
eurjchem-2498	416	8	which	which	PRON
eurjchem-2498	416	9	is	be	AUX
eurjchem-2498	416	10	not	not	PART
eurjchem-2498	416	11	a	a	DET
eurjchem-2498	416	12	preferable	preferable	ADJ
eurjchem-2498	416	13	site	site	NOUN
eurjchem-2498	416	14	for	for	ADP
eurjchem-2498	416	15	an	an	DET
eurjchem-2498	416	16	electrophilic	electrophilic	ADJ
eurjchem-2498	416	17	attack	attack	NOUN
eurjchem-2498	416	18	.	.	PUNCT
eurjchem-2498	417	1	in	in	ADP
eurjchem-2498	417	2	compound	compound	NOUN
eurjchem-2498	417	3	2	2	NUM
eurjchem-2498	417	4	,	,	PUNCT
eurjchem-2498	417	5	the	the	DET
eurjchem-2498	417	6	negative	negative	ADJ
eurjchem-2498	417	7	potential	potential	ADJ
eurjchem-2498	417	8	starts	start	VERB
eurjchem-2498	417	9	at	at	ADP
eurjchem-2498	417	10	-6.33×10	-6.33×10	NOUN
eurjchem-2498	417	11	-	-	SYM
eurjchem-2498	417	12	2	2	NUM
eurjchem-2498	417	13	and	and	CCONJ
eurjchem-2498	417	14	is	be	AUX
eurjchem-2498	417	15	found	find	VERB
eurjchem-2498	417	16	in	in	ADP
eurjchem-2498	417	17	the	the	DET
eurjchem-2498	417	18	aromatic	aromatic	ADJ
eurjchem-2498	417	19	system	system	NOUN
eurjchem-2498	417	20	.	.	PUNCT
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eurjchem-2498	418	2	may	may	AUX
eurjchem-2498	418	3	be	be	AUX
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eurjchem-2498	418	5	to	to	ADP
eurjchem-2498	418	6	the	the	DET
eurjchem-2498	418	7	π	π	PROPN
eurjchem-2498	418	8	-	-	PUNCT
eurjchem-2498	418	9	electron	electron	NOUN
eurjchem-2498	418	10	density	density	NOUN
eurjchem-2498	418	11	.	.	PUNCT
eurjchem-2498	419	1	these	these	PRON
eurjchem-2498	419	2	are	be	AUX
eurjchem-2498	419	3	sites	site	NOUN
eurjchem-2498	419	4	for	for	ADP
eurjchem-2498	419	5	electrophilic	electrophilic	ADJ
eurjchem-2498	419	6	attack	attack	NOUN
eurjchem-2498	419	7	.	.	PUNCT
eurjchem-2498	420	1	furthermore	furthermore	ADV
eurjchem-2498	420	2	,	,	PUNCT
eurjchem-2498	420	3	the	the	DET
eurjchem-2498	420	4	blue	blue	ADJ
eurjchem-2498	420	5	regions	region	NOUN
eurjchem-2498	420	6	near	near	ADP
eurjchem-2498	420	7	nitrogen	nitrogen	NOUN
eurjchem-2498	420	8	are	be	AUX
eurjchem-2498	420	9	less	less	ADV
eurjchem-2498	420	10	favourable	favourable	ADJ
eurjchem-2498	420	11	for	for	ADP
eurjchem-2498	420	12	electrophilic	electrophilic	ADJ
eurjchem-2498	420	13	attack	attack	NOUN
eurjchem-2498	421	1	[	[	X
eurjchem-2498	421	2	56,65	56,65	NOUN
eurjchem-2498	421	3	]	]	PUNCT
eurjchem-2498	421	4	.	.	PUNCT
eurjchem-2498	422	1	siluvairaj	siluvairaj	VERB
eurjchem-2498	422	2	et	et	PROPN
eurjchem-2498	422	3	al	al	PROPN
eurjchem-2498	422	4	.	.	PUNCT
eurjchem-2498	422	5	/	/	SYM
eurjchem-2498	422	6	european	european	PROPN
eurjchem-2498	422	7	journal	journal	PROPN
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eurjchem-2498	422	9	chemistry	chemistry	NOUN
eurjchem-2498	422	10	15	15	NUM
eurjchem-2498	422	11	(	(	PUNCT
eurjchem-2498	422	12	1	1	NUM
eurjchem-2498	422	13	)	)	PUNCT
eurjchem-2498	422	14	(	(	PUNCT
eurjchem-2498	422	15	2024	2024	NUM
eurjchem-2498	422	16	)	)	PUNCT
eurjchem-2498	422	17	50	50	NUM
eurjchem-2498	422	18	-	-	SYM
eurjchem-2498	422	19	70	70	NUM
eurjchem-2498	422	20	67	67	NUM
eurjchem-2498	422	21	2024	2024	NUM
eurjchem-2498	422	22	–	–	PUNCT
eurjchem-2498	422	23	european	european	ADJ
eurjchem-2498	422	24	journal	journal	NOUN
eurjchem-2498	422	25	of	of	ADP
eurjchem-2498	422	26	chemistry	chemistry	NOUN
eurjchem-2498	422	27	–	–	PUNCT
eurjchem-2498	422	28	cc	cc	NOUN
eurjchem-2498	422	29	by	by	ADP
eurjchem-2498	422	30	nc	nc	PROPN
eurjchem-2498	422	31	–	–	PUNCT
eurjchem-2498	422	32	doi	doi	NOUN
eurjchem-2498	422	33	:	:	PUNCT
eurjchem-2498	422	34	10.5155	10.5155	NUM
eurjchem-2498	422	35	/	/	SYM
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eurjchem-2498	422	37	-	-	SYM
eurjchem-2498	422	38	70.2498	70.2498	NUM
eurjchem-2498	422	39	table	table	NOUN
eurjchem-2498	422	40	13	13	NUM
eurjchem-2498	422	41	.	.	PUNCT
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eurjchem-2498	423	2	local	local	ADJ
eurjchem-2498	423	3	reactivity	reactivity	NOUN
eurjchem-2498	423	4	properties	property	NOUN
eurjchem-2498	423	5	of	of	ADP
eurjchem-2498	423	6	compound	compound	NOUN
eurjchem-2498	423	7	2	2	NUM
eurjchem-2498	423	8	using	use	VERB
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eurjchem-2498	423	17	charges	charge	NOUN
eurjchem-2498	423	18	.	.	PUNCT
eurjchem-2498	424	1	atoms	atom	NOUN
eurjchem-2498	424	2	fk+	fk+	PROPN
eurjchem-2498	424	3	fk∆fk(r	fk∆fk(r	PROPN
eurjchem-2498	424	4	)	)	PUNCT
eurjchem-2498	425	1	sk+	sk+	PROPN
eurjchem-2498	425	2	sksk+/sk∆sk(r	sksk+/sk∆sk(r	PROPN
eurjchem-2498	425	3	)	)	PUNCT
eurjchem-2498	425	4	ωk+	ωk+	NOUN
eurjchem-2498	425	5	ωk∆ωk(r	ωk∆ωk(r	PROPN
eurjchem-2498	425	6	)	)	PUNCT
eurjchem-2498	425	7	c1	c1	PROPN
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eurjchem-2498	444	1	0.1505	0.1505	NUM
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eurjchem-2498	444	9	c39	c39	NOUN
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eurjchem-2498	446	10	-0.0034	-0.0034	NOUN
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eurjchem-2498	446	18	0.0058	0.0058	NUM
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eurjchem-2498	447	1	0.0062	0.0062	NUM
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eurjchem-2498	447	5	c44	c44	NOUN
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eurjchem-2498	447	8	-0.0050	-0.0050	NOUN
eurjchem-2498	448	1	0.0123	0.0123	NUM
eurjchem-2498	448	2	0.0139	0.0139	NUM
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eurjchem-2498	448	7	-0.0270	-0.0270	NOUN
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eurjchem-2498	448	10	.	.	PUNCT
eurjchem-2498	449	1	the	the	DET
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eurjchem-2498	449	10	moment	moment	NOUN
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eurjchem-2498	449	12	debye	debye	ADJ
eurjchem-2498	449	13	)	)	PUNCT
eurjchem-2498	449	14	,	,	PUNCT
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eurjchem-2498	449	17	(	(	PUNCT
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eurjchem-2498	449	25	(	(	PUNCT
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eurjchem-2498	449	34	1	1	NUM
eurjchem-2498	449	35	and	and	CCONJ
eurjchem-2498	449	36	2	2	NUM
eurjchem-2498	449	37	.	.	X
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eurjchem-2498	450	3	1	1	NUM
eurjchem-2498	450	4	compound	compound	NOUN
eurjchem-2498	450	5	2	2	NUM
eurjchem-2498	450	6	dipole	dipole	NOUN
eurjchem-2498	450	7	moment	moment	NOUN
eurjchem-2498	450	8	µx	µx	VERB
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eurjchem-2498	450	14	µz	µz	PROPN
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eurjchem-2498	451	1	µ	µ	VERB
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eurjchem-2498	451	5	αxx	αxx	NOUN
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eurjchem-2498	451	11	αzz	αzz	PROPN
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eurjchem-2498	451	13	3.2812	3.2812	NUM
eurjchem-2498	451	14	αxy	αxy	NOUN
eurjchem-2498	451	15	0.5775	0.5775	NUM
eurjchem-2498	451	16	23.5234	23.5234	NUM
eurjchem-2498	451	17	αxz	αxz	NOUN
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eurjchem-2498	451	20	αyz	αyz	PROPN
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eurjchem-2498	452	1	α0	α0	PROPN
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eurjchem-2498	452	6	-	-	PUNCT
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eurjchem-2498	452	8	αtot	αtot	PROPN
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eurjchem-2498	452	10	8.0586	8.0586	NUM
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eurjchem-2498	452	15	βyyy	βyyy	PROPN
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eurjchem-2498	452	18	βzzz	βzzz	PROPN
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eurjchem-2498	452	20	-3.0245	-3.0245	PROPN
eurjchem-2498	453	1	βxyy	βxyy	ADJ
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eurjchem-2498	454	5	βxxz	βxxz	NOUN
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eurjchem-2498	454	8	βxzz	βxzz	PROPN
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eurjchem-2498	454	11	βyzz	βyzz	PROPN
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eurjchem-2498	455	8	aromatic	aromatic	ADJ
eurjchem-2498	455	9	proton	proton	NOUN
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eurjchem-2498	455	17	δ	δ	PROPN
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eurjchem-2498	456	26	signal	signal	ADJ
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eurjchem-2498	458	14	-	-	NOUN
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eurjchem-2498	459	7	protons	proton	NOUN
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eurjchem-2498	459	9	in	in	ADP
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eurjchem-2498	460	3	δ	δ	PROPN
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eurjchem-2498	461	4	presence	presence	NOUN
eurjchem-2498	461	5	of	of	ADP
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eurjchem-2498	462	1	c1	c1	PROPN
eurjchem-2498	462	2	and	and	CCONJ
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eurjchem-2498	462	11	δ	δ	PROPN
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eurjchem-2498	462	24	with	with	ADP
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eurjchem-2498	463	3	evident	evident	ADJ
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eurjchem-2498	463	5	the	the	DET
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eurjchem-2498	463	9	in	in	ADP
eurjchem-2498	463	10	compound	compound	NOUN
eurjchem-2498	463	11	2	2	NUM
eurjchem-2498	463	12	[	[	X
eurjchem-2498	463	13	63,64	63,64	NUM
eurjchem-2498	463	14	]	]	X
eurjchem-2498	463	15	.	.	PUNCT
eurjchem-2498	464	1	3.14	3.14	NUM
eurjchem-2498	464	2	.	.	PUNCT
eurjchem-2498	465	1	nlo	nlo	PROPN
eurjchem-2498	465	2	properties	property	NOUN
eurjchem-2498	465	3	polarizability	polarizability	NOUN
eurjchem-2498	465	4	and	and	CCONJ
eurjchem-2498	465	5	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2498	465	6	characterize	characterize	VERB
eurjchem-2498	465	7	the	the	DET
eurjchem-2498	465	8	response	response	NOUN
eurjchem-2498	465	9	of	of	ADP
eurjchem-2498	465	10	a	a	DET
eurjchem-2498	465	11	molecule	molecule	NOUN
eurjchem-2498	465	12	to	to	ADP
eurjchem-2498	465	13	an	an	DET
eurjchem-2498	465	14	applied	apply	VERB
eurjchem-2498	465	15	electric	electric	ADJ
eurjchem-2498	465	16	field	field	NOUN
eurjchem-2498	465	17	.	.	PUNCT
eurjchem-2498	466	1	they	they	PRON
eurjchem-2498	466	2	affect	affect	VERB
eurjchem-2498	466	3	the	the	DET
eurjchem-2498	466	4	molecular	molecular	ADJ
eurjchem-2498	466	5	interactions	interaction	NOUN
eurjchem-2498	466	6	.	.	PUNCT
eurjchem-2498	467	1	the	the	DET
eurjchem-2498	467	2	polarizability	polarizability	NOUN
eurjchem-2498	467	3	and	and	CCONJ
eurjchem-2498	467	4	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2498	467	5	values	value	NOUN
eurjchem-2498	467	6	of	of	ADP
eurjchem-2498	467	7	the	the	DET
eurjchem-2498	467	8	dyes	dye	NOUN
eurjchem-2498	467	9	are	be	AUX
eurjchem-2498	467	10	shown	show	VERB
eurjchem-2498	467	11	in	in	ADP
eurjchem-2498	467	12	table	table	NOUN
eurjchem-2498	467	13	14	14	NUM
eurjchem-2498	467	14	.	.	PUNCT
eurjchem-2498	468	1	when	when	SCONJ
eurjchem-2498	468	2	comparing	compare	VERB
eurjchem-2498	468	3	the	the	DET
eurjchem-2498	468	4	two	two	NUM
eurjchem-2498	468	5	compounds	compound	NOUN
eurjchem-2498	468	6	,	,	PUNCT
eurjchem-2498	468	7	the	the	DET
eurjchem-2498	468	8	polarizability	polarizability	NOUN
eurjchem-2498	468	9	of	of	ADP
eurjchem-2498	468	10	compound	compound	NOUN
eurjchem-2498	468	11	1	1	NUM
eurjchem-2498	468	12	is	be	AUX
eurjchem-2498	468	13	more	more	ADV
eurjchem-2498	468	14	significant	significant	ADJ
eurjchem-2498	468	15	than	than	ADP
eurjchem-2498	468	16	that	that	PRON
eurjchem-2498	468	17	of	of	ADP
eurjchem-2498	468	18	its	its	PRON
eurjchem-2498	468	19	counterpart	counterpart	NOUN
eurjchem-2498	468	20	,	,	PUNCT
eurjchem-2498	468	21	and	and	CCONJ
eurjchem-2498	468	22	it	it	PRON
eurjchem-2498	468	23	can	can	AUX
eurjchem-2498	468	24	act	act	VERB
eurjchem-2498	468	25	as	as	ADP
eurjchem-2498	468	26	a	a	DET
eurjchem-2498	468	27	better	well	ADJ
eurjchem-2498	468	28	dye	dye	NOUN
eurjchem-2498	468	29	than	than	ADP
eurjchem-2498	468	30	compound	compound	NOUN
eurjchem-2498	468	31	2	2	NUM
eurjchem-2498	469	1	[	[	X
eurjchem-2498	469	2	66	66	NUM
eurjchem-2498	469	3	]	]	PUNCT
eurjchem-2498	469	4	.	.	PUNCT
eurjchem-2498	470	1	urea	urea	PROPN
eurjchem-2498	470	2	has	have	VERB
eurjchem-2498	470	3	good	good	ADJ
eurjchem-2498	470	4	non	non	ADJ
eurjchem-2498	470	5	-	-	ADJ
eurjchem-2498	470	6	linear	linear	ADJ
eurjchem-2498	470	7	optical	optical	ADJ
eurjchem-2498	470	8	properties	property	NOUN
eurjchem-2498	470	9	and	and	CCONJ
eurjchem-2498	470	10	is	be	AUX
eurjchem-2498	470	11	used	use	VERB
eurjchem-2498	470	12	as	as	ADP
eurjchem-2498	470	13	a	a	DET
eurjchem-2498	470	14	critical	critical	ADJ
eurjchem-2498	470	15	parameter	parameter	NOUN
eurjchem-2498	470	16	for	for	ADP
eurjchem-2498	470	17	comparative	comparative	ADJ
eurjchem-2498	470	18	studies	study	NOUN
eurjchem-2498	470	19	(	(	PUNCT
eurjchem-2498	470	20	µ	µ	NOUN
eurjchem-2498	470	21	=	=	SYM
eurjchem-2498	470	22	1.3732	1.3732	NUM
eurjchem-2498	470	23	debye	debye	NOUN
eurjchem-2498	470	24	and	and	CCONJ
eurjchem-2498	470	25	β	β	X
eurjchem-2498	470	26	=	=	SYM
eurjchem-2498	470	27	3.7289×10	3.7289×10	X
eurjchem-2498	470	28	-	-	SYM
eurjchem-2498	470	29	31	31	NUM
eurjchem-2498	470	30	e.s.u	e.s.u	NOUN
eurjchem-2498	470	31	.	.	PUNCT
eurjchem-2498	470	32	)	)	PUNCT
eurjchem-2498	470	33	.	.	PUNCT
eurjchem-2498	471	1	for	for	ADP
eurjchem-2498	471	2	compounds	compound	NOUN
eurjchem-2498	471	3	1	1	NUM
eurjchem-2498	471	4	and	and	CCONJ
eurjchem-2498	471	5	2	2	NUM
eurjchem-2498	471	6	,	,	PUNCT
eurjchem-2498	471	7	the	the	DET
eurjchem-2498	471	8	first	first	ADJ
eurjchem-2498	471	9	-	-	PUNCT
eurjchem-2498	471	10	order	order	NOUN
eurjchem-2498	471	11	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2498	471	12	by	by	ADP
eurjchem-2498	471	13	the	the	DET
eurjchem-2498	471	14	b3lyp/6	b3lyp/6	PROPN
eurjchem-2498	471	15	-	-	NOUN
eurjchem-2498	471	16	311+g(d	311+g(d	PROPN
eurjchem-2498	471	17	,	,	PUNCT
eurjchem-2498	471	18	p	p	NOUN
eurjchem-2498	471	19	)	)	PUNCT
eurjchem-2498	471	20	method	method	NOUN
eurjchem-2498	471	21	is	be	AUX
eurjchem-2498	471	22	3.7219	3.7219	NUM
eurjchem-2498	471	23	and	and	CCONJ
eurjchem-2498	471	24	6.2100×10	6.2100×10	NUM
eurjchem-2498	471	25	-	-	SYM
eurjchem-2498	471	26	30	30	NUM
eurjchem-2498	471	27	e.s.u	e.s.u	NOUN
eurjchem-2498	471	28	.	.	PUNCT
eurjchem-2498	472	1	among	among	ADP
eurjchem-2498	472	2	the	the	DET
eurjchem-2498	472	3	compounds	compound	NOUN
eurjchem-2498	472	4	studied	study	VERB
eurjchem-2498	472	5	,	,	PUNCT
eurjchem-2498	472	6	compound	compound	NOUN
eurjchem-2498	472	7	1	1	NUM
eurjchem-2498	472	8	exhibits	exhibit	NOUN
eurjchem-2498	472	9	value	value	NOUN
eurjchem-2498	472	10	similar	similar	ADJ
eurjchem-2498	472	11	to	to	ADP
eurjchem-2498	472	12	that	that	PRON
eurjchem-2498	472	13	of	of	ADP
eurjchem-2498	472	14	urea	urea	NOUN
eurjchem-2498	472	15	and	and	CCONJ
eurjchem-2498	472	16	compound	compound	NOUN
eurjchem-2498	472	17	2	2	NUM
eurjchem-2498	472	18	shows	show	VERB
eurjchem-2498	472	19	twice	twice	DET
eurjchem-2498	472	20	the	the	DET
eurjchem-2498	472	21	value	value	NOUN
eurjchem-2498	472	22	of	of	ADP
eurjchem-2498	472	23	urea	urea	NOUN
eurjchem-2498	472	24	.	.	PUNCT
eurjchem-2498	473	1	therefore	therefore	ADV
eurjchem-2498	473	2	,	,	PUNCT
eurjchem-2498	473	3	the	the	DET
eurjchem-2498	473	4	compounds	compound	NOUN
eurjchem-2498	473	5	under	under	ADP
eurjchem-2498	473	6	study	study	NOUN
eurjchem-2498	473	7	promote	promote	VERB
eurjchem-2498	473	8	good	good	ADJ
eurjchem-2498	473	9	nonlinear	nonlinear	ADJ
eurjchem-2498	473	10	properties	property	NOUN
eurjchem-2498	473	11	[	[	X
eurjchem-2498	473	12	67,68	67,68	NUM
eurjchem-2498	473	13	]	]	PUNCT
eurjchem-2498	473	14	.	.	PUNCT
eurjchem-2498	474	1	3.15	3.15	NUM
eurjchem-2498	474	2	.	.	PUNCT
eurjchem-2498	475	1	thermodynamic	thermodynamic	ADJ
eurjchem-2498	475	2	properties	property	NOUN
eurjchem-2498	475	3	thermodynamic	thermodynamic	ADJ
eurjchem-2498	475	4	parameters	parameter	NOUN
eurjchem-2498	475	5	,	,	PUNCT
eurjchem-2498	475	6	such	such	ADJ
eurjchem-2498	475	7	as	as	ADP
eurjchem-2498	475	8	zero	zero	NUM
eurjchem-2498	475	9	-	-	PUNCT
eurjchem-2498	475	10	point	point	NOUN
eurjchem-2498	475	11	vibrational	vibrational	ADJ
eurjchem-2498	475	12	energy	energy	NOUN
eurjchem-2498	475	13	(	(	PUNCT
eurjchem-2498	475	14	zpve	zpve	NOUN
eurjchem-2498	475	15	)	)	PUNCT
eurjchem-2498	475	16	and	and	CCONJ
eurjchem-2498	475	17	entropy	entropy	PROPN
eurjchem-2498	475	18	,	,	PUNCT
eurjchem-2498	475	19	are	be	AUX
eurjchem-2498	475	20	presented	present	VERB
eurjchem-2498	475	21	in	in	ADP
eurjchem-2498	475	22	table	table	NOUN
eurjchem-2498	475	23	15	15	NUM
eurjchem-2498	475	24	.	.	PUNCT
eurjchem-2498	476	1	the	the	DET
eurjchem-2498	476	2	variation	variation	NOUN
eurjchem-2498	476	3	in	in	ADP
eurjchem-2498	476	4	zpve	zpve	PROPN
eurjchem-2498	476	5	is	be	AUX
eurjchem-2498	476	6	significant	significant	ADJ
eurjchem-2498	476	7	.	.	PUNCT
eurjchem-2498	477	1	the	the	DET
eurjchem-2498	477	2	total	total	ADJ
eurjchem-2498	477	3	energies	energy	NOUN
eurjchem-2498	477	4	of	of	ADP
eurjchem-2498	477	5	compounds	compound	NOUN
eurjchem-2498	477	6	1	1	NUM
eurjchem-2498	477	7	and	and	CCONJ
eurjchem-2498	477	8	2	2	NUM
eurjchem-2498	477	9	are	be	AUX
eurjchem-2498	477	10	presented	present	VERB
eurjchem-2498	477	11	.	.	PUNCT
eurjchem-2498	478	1	of	of	ADP
eurjchem-2498	478	2	the	the	DET
eurjchem-2498	478	3	two	two	NUM
eurjchem-2498	478	4	compounds	compound	NOUN
eurjchem-2498	478	5	,	,	PUNCT
eurjchem-2498	478	6	compound	compound	NOUN
eurjchem-2498	478	7	1	1	NUM
eurjchem-2498	478	8	shows	show	VERB
eurjchem-2498	478	9	the	the	DET
eurjchem-2498	478	10	minimum	minimum	ADJ
eurjchem-2498	478	11	total	total	ADJ
eurjchem-2498	478	12	energy	energy	NOUN
eurjchem-2498	478	13	of	of	ADP
eurjchem-2498	478	14	-1083.4568	-1083.4568	PRON
eurjchem-2498	478	15	a.u	a.u	PROPN
eurjchem-2498	478	16	.	.	PUNCT
eurjchem-2498	479	1	[	[	X
eurjchem-2498	479	2	69,70	69,70	X
eurjchem-2498	479	3	]	]	X
eurjchem-2498	479	4	parameter	parameter	NOUN
eurjchem-2498	479	5	for	for	ADP
eurjchem-2498	479	6	comparative	comparative	ADJ
eurjchem-2498	479	7	studies	study	NOUN
eurjchem-2498	479	8	(	(	PUNCT
eurjchem-2498	479	9	µ	µ	NOUN
eurjchem-2498	479	10	=	=	SYM
eurjchem-2498	479	11	1.3732	1.3732	NUM
eurjchem-2498	479	12	debye	debye	NOUN
eurjchem-2498	479	13	and	and	CCONJ
eurjchem-2498	479	14	β	β	X
eurjchem-2498	479	15	=	=	SYM
eurjchem-2498	479	16	3.7289×10	3.7289×10	X
eurjchem-2498	479	17	-	-	SYM
eurjchem-2498	479	18	31	31	NUM
eurjchem-2498	479	19	e.s.u	e.s.u	NOUN
eurjchem-2498	479	20	.	.	PUNCT
eurjchem-2498	479	21	)	)	PUNCT
eurjchem-2498	479	22	.	.	PUNCT
eurjchem-2498	480	1	68	68	NUM
eurjchem-2498	480	2	siluvairaj	siluvairaj	VERB
eurjchem-2498	480	3	et	et	PROPN
eurjchem-2498	480	4	al	al	PROPN
eurjchem-2498	480	5	.	.	PUNCT
eurjchem-2498	480	6	/	/	SYM
eurjchem-2498	480	7	european	european	PROPN
eurjchem-2498	480	8	journal	journal	PROPN
eurjchem-2498	480	9	of	of	ADP
eurjchem-2498	480	10	chemistry	chemistry	NOUN
eurjchem-2498	480	11	15	15	NUM
eurjchem-2498	480	12	(	(	PUNCT
eurjchem-2498	480	13	1	1	NUM
eurjchem-2498	480	14	)	)	PUNCT
eurjchem-2498	480	15	(	(	PUNCT
eurjchem-2498	480	16	2024	2024	NUM
eurjchem-2498	480	17	)	)	PUNCT
eurjchem-2498	480	18	50	50	NUM
eurjchem-2498	480	19	-	-	SYM
eurjchem-2498	480	20	70	70	NUM
eurjchem-2498	480	21	2024	2024	NUM
eurjchem-2498	480	22	–	–	PUNCT
eurjchem-2498	480	23	european	european	ADJ
eurjchem-2498	480	24	journal	journal	NOUN
eurjchem-2498	480	25	of	of	ADP
eurjchem-2498	480	26	chemistry	chemistry	NOUN
eurjchem-2498	480	27	–	–	PUNCT
eurjchem-2498	480	28	cc	cc	NOUN
eurjchem-2498	480	29	by	by	ADP
eurjchem-2498	480	30	nc	nc	PROPN
eurjchem-2498	480	31	–	–	PUNCT
eurjchem-2498	480	32	doi	doi	NOUN
eurjchem-2498	480	33	:	:	PUNCT
eurjchem-2498	480	34	10.5155	10.5155	NUM
eurjchem-2498	480	35	/	/	SYM
eurjchem-2498	480	36	eurjchem.15.1.50	eurjchem.15.1.50	ADJ
eurjchem-2498	480	37	-	-	SYM
eurjchem-2498	480	38	70.2498	70.2498	NUM
eurjchem-2498	480	39	table	table	NOUN
eurjchem-2498	480	40	15	15	NUM
eurjchem-2498	480	41	.	.	PUNCT
eurjchem-2498	481	1	theoretically	theoretically	ADV
eurjchem-2498	481	2	computed	compute	VERB
eurjchem-2498	481	3	energies	energy	NOUN
eurjchem-2498	481	4	(	(	PUNCT
eurjchem-2498	481	5	a.u	a.u	PROPN
eurjchem-2498	481	6	.	.	PROPN
eurjchem-2498	481	7	)	)	PUNCT
eurjchem-2498	481	8	,	,	PUNCT
eurjchem-2498	481	9	zero	zero	NUM
eurjchem-2498	481	10	-	-	PUNCT
eurjchem-2498	481	11	point	point	NOUN
eurjchem-2498	481	12	vibrational	vibrational	ADJ
eurjchem-2498	481	13	energy	energy	NOUN
eurjchem-2498	481	14	(	(	PUNCT
eurjchem-2498	481	15	kcal	kcal	NOUN
eurjchem-2498	481	16	/	/	SYM
eurjchem-2498	481	17	mol	mol	NOUN
eurjchem-2498	481	18	)	)	PUNCT
eurjchem-2498	481	19	,	,	PUNCT
eurjchem-2498	481	20	rotational	rotational	ADJ
eurjchem-2498	481	21	constants	constant	NOUN
eurjchem-2498	481	22	(	(	PUNCT
eurjchem-2498	481	23	ghz	ghz	NOUN
eurjchem-2498	481	24	)	)	PUNCT
eurjchem-2498	481	25	,	,	PUNCT
eurjchem-2498	481	26	entropy	entropy	NOUN
eurjchem-2498	481	27	(	(	PUNCT
eurjchem-2498	481	28	calmol-1	calmol-1	NUM
eurjchem-2498	481	29	k-1	k-1	NOUN
eurjchem-2498	481	30	)	)	PUNCT
eurjchem-2498	481	31	and	and	CCONJ
eurjchem-2498	481	32	dipole	dipole	NOUN
eurjchem-2498	481	33	moment	moment	NOUN
eurjchem-2498	481	34	(	(	PUNCT
eurjchem-2498	481	35	debye	debye	ADJ
eurjchem-2498	481	36	)	)	PUNCT
eurjchem-2498	481	37	for	for	ADP
eurjchem-2498	481	38	compounds	compound	NOUN
eurjchem-2498	481	39	1	1	NUM
eurjchem-2498	481	40	and	and	CCONJ
eurjchem-2498	481	41	2	2	NUM
eurjchem-2498	481	42	.	.	X
eurjchem-2498	482	1	parameters	parameter	NOUN
eurjchem-2498	482	2	compound	compound	VERB
eurjchem-2498	482	3	1	1	NUM
eurjchem-2498	482	4	compound	compound	NOUN
eurjchem-2498	482	5	2	2	NUM
eurjchem-2498	482	6	total	total	NOUN
eurjchem-2498	482	7	energies	energy	NOUN
eurjchem-2498	482	8	(	(	PUNCT
eurjchem-2498	482	9	hartree	hartree	NOUN
eurjchem-2498	482	10	)	)	PUNCT
eurjchem-2498	482	11	-1083.4568	-1083.4568	ADP
eurjchem-2498	482	12	-1236.1728	-1236.1728	NOUN
eurjchem-2498	482	13	zero	zero	NUM
eurjchem-2498	482	14	-	-	PUNCT
eurjchem-2498	482	15	point	point	NOUN
eurjchem-2498	482	16	energy	energy	NOUN
eurjchem-2498	482	17	(	(	PUNCT
eurjchem-2498	482	18	kcal	kcal	NOUN
eurjchem-2498	482	19	/	/	SYM
eurjchem-2498	482	20	mol	mol	PROPN
eurjchem-2498	482	21	)	)	PUNCT
eurjchem-2498	482	22	206.7092	206.7092	PROPN
eurjchem-2498	482	23	230.2788	230.2788	NUM
eurjchem-2498	482	24	rotational	rotational	ADJ
eurjchem-2498	482	25	constants	constant	NOUN
eurjchem-2498	482	26	(	(	PUNCT
eurjchem-2498	482	27	ghz	ghz	NOUN
eurjchem-2498	482	28	)	)	PUNCT
eurjchem-2498	482	29	a	a	DET
eurjchem-2498	482	30	0.3244	0.3244	NUM
eurjchem-2498	482	31	0.5996	0.5996	NUM
eurjchem-2498	482	32	b	b	PROPN
eurjchem-2498	482	33	0.0783	0.0783	NUM
eurjchem-2498	482	34	0.0406	0.0406	NUM
eurjchem-2498	482	35	c	c	NOUN
eurjchem-2498	482	36	0.0659	0.0659	NUM
eurjchem-2498	482	37	0.0383	0.0383	NUM
eurjchem-2498	482	38	entropy	entropy	NOUN
eurjchem-2498	482	39	(	(	PUNCT
eurjchem-2498	482	40	cal	cal	PROPN
eurjchem-2498	482	41	/	/	SYM
eurjchem-2498	482	42	mol	mol	PROPN
eurjchem-2498	482	43	.	.	PUNCT
eurjchem-2498	483	1	k	k	X
eurjchem-2498	483	2	)	)	PUNCT
eurjchem-2498	483	3	total	total	VERB
eurjchem-2498	483	4	155.1820	155.1820	NUM
eurjchem-2498	483	5	178.5390	178.5390	NUM
eurjchem-2498	483	6	translational	translational	ADJ
eurjchem-2498	483	7	43.2870	43.2870	NUM
eurjchem-2498	483	8	43.6430	43.6430	NUM
eurjchem-2498	483	9	rotational	rotational	ADJ
eurjchem-2498	483	10	36.5040	36.5040	NUM
eurjchem-2498	483	11	37.0860	37.0860	NUM
eurjchem-2498	483	12	vibrational	vibrational	NOUN
eurjchem-2498	483	13	75.3910	75.3910	NUM
eurjchem-2498	483	14	97.8090	97.8090	NUM
eurjchem-2498	483	15	dipole	dipole	NOUN
eurjchem-2498	483	16	moment	moment	NOUN
eurjchem-2498	483	17	(	(	PUNCT
eurjchem-2498	483	18	debye	debye	ADV
eurjchem-2498	483	19	)	)	PUNCT
eurjchem-2498	483	20	4.9955	4.9955	NUM
eurjchem-2498	483	21	4.4393	4.4393	NUM
eurjchem-2498	483	22	4	4	NUM
eurjchem-2498	483	23	.	.	PUNCT
eurjchem-2498	484	1	conclusion	conclusion	VERB
eurjchem-2498	484	2	the	the	DET
eurjchem-2498	484	3	compound	compound	NOUN
eurjchem-2498	484	4	studied	study	VERB
eurjchem-2498	484	5	,	,	PUNCT
eurjchem-2498	484	6	c21h19n5o2	c21h19n5o2	PROPN
eurjchem-2498	484	7	(	(	PUNCT
eurjchem-2498	484	8	2	2	NUM
eurjchem-2498	484	9	)	)	PUNCT
eurjchem-2498	484	10	,	,	PUNCT
eurjchem-2498	484	11	was	be	AUX
eurjchem-2498	484	12	synthesized	synthesize	VERB
eurjchem-2498	484	13	according	accord	VERB
eurjchem-2498	484	14	to	to	ADP
eurjchem-2498	484	15	the	the	DET
eurjchem-2498	484	16	procedures	procedure	NOUN
eurjchem-2498	484	17	described	describe	VERB
eurjchem-2498	484	18	in	in	ADP
eurjchem-2498	484	19	the	the	DET
eurjchem-2498	484	20	literature	literature	NOUN
eurjchem-2498	484	21	and	and	CCONJ
eurjchem-2498	484	22	characterized	characterize	VERB
eurjchem-2498	484	23	by	by	ADP
eurjchem-2498	484	24	microanalysis	microanalysis	PROPN
eurjchem-2498	484	25	,	,	PUNCT
eurjchem-2498	484	26	ft	ft	PROPN
eurjchem-2498	484	27	-	-	PUNCT
eurjchem-2498	484	28	ir	ir	PROPN
eurjchem-2498	484	29	,	,	PUNCT
eurjchem-2498	484	30	1h	1h	NUM
eurjchem-2498	484	31	,	,	PUNCT
eurjchem-2498	484	32	13c	13c	NOUN
eurjchem-2498	484	33	and	and	CCONJ
eurjchem-2498	484	34	uv	uv	NOUN
eurjchem-2498	484	35	-	-	PUNCT
eurjchem-2498	484	36	visible	visible	ADJ
eurjchem-2498	484	37	spectroscopy	spectroscopy	NOUN
eurjchem-2498	484	38	techniques	technique	NOUN
eurjchem-2498	484	39	.	.	PUNCT
eurjchem-2498	485	1	it	it	PRON
eurjchem-2498	485	2	is	be	AUX
eurjchem-2498	485	3	theoretically	theoretically	ADV
eurjchem-2498	485	4	compared	compare	VERB
eurjchem-2498	485	5	with	with	ADP
eurjchem-2498	485	6	its	its	PRON
eurjchem-2498	485	7	amine	amine	ADJ
eurjchem-2498	485	8	derivative	derivative	ADJ
eurjchem-2498	485	9	c19h17n5o	c19h17n5o	NOUN
eurjchem-2498	485	10	(	(	PUNCT
eurjchem-2498	485	11	1	1	NUM
eurjchem-2498	485	12	)	)	PUNCT
eurjchem-2498	485	13	.	.	PUNCT
eurjchem-2498	486	1	compounds	compound	VERB
eurjchem-2498	486	2	1	1	NUM
eurjchem-2498	486	3	and	and	CCONJ
eurjchem-2498	486	4	2	2	NUM
eurjchem-2498	486	5	were	be	AUX
eurjchem-2498	486	6	optimized	optimize	VERB
eurjchem-2498	486	7	to	to	ADP
eurjchem-2498	486	8	local	local	ADJ
eurjchem-2498	486	9	minima	minima	NOUN
eurjchem-2498	486	10	using	use	VERB
eurjchem-2498	486	11	the	the	DET
eurjchem-2498	486	12	gaussian	gaussian	ADJ
eurjchem-2498	486	13	09	09	NUM
eurjchem-2498	486	14	package	package	NOUN
eurjchem-2498	486	15	with	with	ADP
eurjchem-2498	486	16	the	the	DET
eurjchem-2498	486	17	dft	dft	PROPN
eurjchem-2498	486	18	/	/	SYM
eurjchem-2498	486	19	b3lyp	b3lyp	PROPN
eurjchem-2498	486	20	method	method	NOUN
eurjchem-2498	486	21	and	and	CCONJ
eurjchem-2498	486	22	the	the	DET
eurjchem-2498	486	23	6	6	NUM
eurjchem-2498	486	24	-	-	SYM
eurjchem-2498	486	25	311+g(d	311+g(d	NOUN
eurjchem-2498	486	26	,	,	PUNCT
eurjchem-2498	486	27	p	p	NOUN
eurjchem-2498	486	28	)	)	PUNCT
eurjchem-2498	486	29	basis	basis	NOUN
eurjchem-2498	486	30	set	set	NOUN
eurjchem-2498	486	31	.	.	PUNCT
eurjchem-2498	487	1	spectroscopic	spectroscopic	ADJ
eurjchem-2498	487	2	investigations	investigation	NOUN
eurjchem-2498	487	3	were	be	AUX
eurjchem-2498	487	4	conducted	conduct	VERB
eurjchem-2498	487	5	for	for	ADP
eurjchem-2498	487	6	compound	compound	NOUN
eurjchem-2498	487	7	2	2	NUM
eurjchem-2498	487	8	according	accord	VERB
eurjchem-2498	487	9	to	to	ADP
eurjchem-2498	487	10	the	the	DET
eurjchem-2498	487	11	proposed	propose	VERB
eurjchem-2498	487	12	structure	structure	NOUN
eurjchem-2498	487	13	.	.	PUNCT
eurjchem-2498	488	1	dft	dft	PROPN
eurjchem-2498	488	2	-	-	PUNCT
eurjchem-2498	488	3	based	base	VERB
eurjchem-2498	488	4	ft	ft	PROPN
eurjchem-2498	488	5	-	-	PUNCT
eurjchem-2498	488	6	ir	ir	NOUN
eurjchem-2498	488	7	spectra	spectra	PROPN
eurjchem-2498	488	8	and	and	CCONJ
eurjchem-2498	488	9	uv	uv	NOUN
eurjchem-2498	488	10	-	-	PUNCT
eurjchem-2498	488	11	vis	vis	X
eurjchem-2498	488	12	absorption	absorption	NOUN
eurjchem-2498	488	13	agreed	agree	VERB
eurjchem-2498	488	14	with	with	ADP
eurjchem-2498	488	15	the	the	DET
eurjchem-2498	488	16	experimental	experimental	ADJ
eurjchem-2498	488	17	spectroscopic	spectroscopic	ADJ
eurjchem-2498	488	18	data	datum	NOUN
eurjchem-2498	488	19	of	of	ADP
eurjchem-2498	488	20	compound	compound	NOUN
eurjchem-2498	488	21	2	2	NUM
eurjchem-2498	488	22	.	.	PUNCT
eurjchem-2498	488	23	in	in	ADP
eurjchem-2498	488	24	vertical	vertical	ADJ
eurjchem-2498	488	25	excitation	excitation	NOUN
eurjchem-2498	488	26	studies	study	NOUN
eurjchem-2498	488	27	,	,	PUNCT
eurjchem-2498	488	28	two	two	NUM
eurjchem-2498	488	29	transitions	transition	NOUN
eurjchem-2498	488	30	were	be	AUX
eurjchem-2498	488	31	predicted	predict	VERB
eurjchem-2498	488	32	for	for	ADP
eurjchem-2498	488	33	the	the	DET
eurjchem-2498	488	34	test	test	NOUN
eurjchem-2498	488	35	molecules	molecule	NOUN
eurjchem-2498	488	36	in	in	ADP
eurjchem-2498	488	37	all	all	DET
eurjchem-2498	488	38	solvents	solvent	NOUN
eurjchem-2498	488	39	,	,	PUNCT
eurjchem-2498	488	40	and	and	CCONJ
eurjchem-2498	488	41	there	there	PRON
eurjchem-2498	488	42	was	be	VERB
eurjchem-2498	488	43	an	an	DET
eurjchem-2498	488	44	increase	increase	NOUN
eurjchem-2498	488	45	in	in	ADP
eurjchem-2498	488	46	the	the	DET
eurjchem-2498	488	47	solute	solute	NOUN
eurjchem-2498	488	48	-	-	PUNCT
eurjchem-2498	488	49	solvent	solvent	ADJ
eurjchem-2498	488	50	interaction	interaction	NOUN
eurjchem-2498	488	51	as	as	ADP
eurjchem-2498	488	52	a	a	DET
eurjchem-2498	488	53	result	result	NOUN
eurjchem-2498	488	54	of	of	ADP
eurjchem-2498	488	55	the	the	DET
eurjchem-2498	488	56	increase	increase	NOUN
eurjchem-2498	488	57	in	in	ADP
eurjchem-2498	488	58	dielectric	dielectric	ADJ
eurjchem-2498	488	59	constants	constant	NOUN
eurjchem-2498	488	60	.	.	PUNCT
eurjchem-2498	489	1	in	in	ADP
eurjchem-2498	489	2	the	the	DET
eurjchem-2498	489	3	fmo	fmo	NOUN
eurjchem-2498	489	4	analysis	analysis	NOUN
eurjchem-2498	489	5	,	,	PUNCT
eurjchem-2498	489	6	the	the	DET
eurjchem-2498	489	7	minor	minor	ADJ
eurjchem-2498	489	8	energy	energy	NOUN
eurjchem-2498	489	9	gap	gap	NOUN
eurjchem-2498	489	10	is	be	AUX
eurjchem-2498	489	11	predicted	predict	VERB
eurjchem-2498	489	12	in	in	ADP
eurjchem-2498	489	13	compound	compound	NOUN
eurjchem-2498	489	14	2	2	NUM
eurjchem-2498	489	15	,	,	PUNCT
eurjchem-2498	489	16	at	at	ADP
eurjchem-2498	489	17	3.16	3.16	NUM
eurjchem-2498	489	18	ev	ev	NOUN
eurjchem-2498	489	19	;	;	PUNCT
eurjchem-2498	489	20	for	for	ADP
eurjchem-2498	489	21	compound	compound	NOUN
eurjchem-2498	489	22	1	1	NUM
eurjchem-2498	489	23	,	,	PUNCT
eurjchem-2498	489	24	it	it	PRON
eurjchem-2498	489	25	is	be	AUX
eurjchem-2498	489	26	3.58	3.58	NUM
eurjchem-2498	489	27	ev	ev	NOUN
eurjchem-2498	489	28	,	,	PUNCT
eurjchem-2498	489	29	paving	pave	VERB
eurjchem-2498	489	30	the	the	DET
eurjchem-2498	489	31	way	way	NOUN
eurjchem-2498	489	32	for	for	ADP
eurjchem-2498	489	33	the	the	DET
eurjchem-2498	489	34	transition	transition	NOUN
eurjchem-2498	489	35	in	in	ADP
eurjchem-2498	489	36	compound	compound	NOUN
eurjchem-2498	489	37	2	2	NUM
eurjchem-2498	489	38	.	.	PUNCT
eurjchem-2498	490	1	the	the	DET
eurjchem-2498	490	2	stabilization	stabilization	NOUN
eurjchem-2498	490	3	of	of	ADP
eurjchem-2498	490	4	the	the	DET
eurjchem-2498	490	5	optical	optical	ADJ
eurjchem-2498	490	6	gap	gap	NOUN
eurjchem-2498	490	7	is	be	AUX
eurjchem-2498	490	8	observed	observe	VERB
eurjchem-2498	490	9	in	in	ADP
eurjchem-2498	490	10	the	the	DET
eurjchem-2498	490	11	solvent	solvent	ADJ
eurjchem-2498	490	12	effect	effect	NOUN
eurjchem-2498	490	13	.	.	PUNCT
eurjchem-2498	491	1	the	the	DET
eurjchem-2498	491	2	nbo	nbo	PROPN
eurjchem-2498	491	3	study	study	NOUN
eurjchem-2498	491	4	sheds	shed	VERB
eurjchem-2498	491	5	light	light	NOUN
eurjchem-2498	491	6	on	on	ADP
eurjchem-2498	491	7	intermolecular	intermolecular	ADJ
eurjchem-2498	491	8	charge	charge	NOUN
eurjchem-2498	491	9	transfer	transfer	NOUN
eurjchem-2498	491	10	and	and	CCONJ
eurjchem-2498	491	11	intermolecular	intermolecular	ADJ
eurjchem-2498	491	12	hydrogen	hydrogen	NOUN
eurjchem-2498	491	13	bonding	bonding	NOUN
eurjchem-2498	491	14	.	.	PUNCT
eurjchem-2498	492	1	among	among	ADP
eurjchem-2498	492	2	the	the	DET
eurjchem-2498	492	3	test	test	NOUN
eurjchem-2498	492	4	molecules	molecule	NOUN
eurjchem-2498	492	5	,	,	PUNCT
eurjchem-2498	492	6	there	there	PRON
eurjchem-2498	492	7	are	be	VERB
eurjchem-2498	492	8	more	more	ADJ
eurjchem-2498	492	9	interactions	interaction	NOUN
eurjchem-2498	492	10	seen	see	VERB
eurjchem-2498	492	11	in	in	ADP
eurjchem-2498	492	12	compound	compound	NOUN
eurjchem-2498	492	13	1	1	NUM
eurjchem-2498	492	14	than	than	ADP
eurjchem-2498	492	15	in	in	ADP
eurjchem-2498	492	16	its	its	PRON
eurjchem-2498	492	17	counterpart	counterpart	NOUN
eurjchem-2498	492	18	,	,	PUNCT
eurjchem-2498	492	19	making	make	VERB
eurjchem-2498	492	20	it	it	PRON
eurjchem-2498	492	21	a	a	DET
eurjchem-2498	492	22	prominent	prominent	ADJ
eurjchem-2498	492	23	candidate	candidate	NOUN
eurjchem-2498	492	24	for	for	ADP
eurjchem-2498	492	25	nlo	nlo	PROPN
eurjchem-2498	492	26	studies	study	NOUN
eurjchem-2498	492	27	.	.	PUNCT
eurjchem-2498	493	1	the	the	DET
eurjchem-2498	493	2	homo	homo	NOUN
eurjchem-2498	493	3	-	-	PUNCT
eurjchem-2498	493	4	lumo	lumo	NOUN
eurjchem-2498	493	5	diagram	diagram	NOUN
eurjchem-2498	493	6	supports	support	VERB
eurjchem-2498	493	7	the	the	DET
eurjchem-2498	493	8	aromatic	aromatic	ADJ
eurjchem-2498	493	9	nature	nature	NOUN
eurjchem-2498	493	10	predicted	predict	VERB
eurjchem-2498	493	11	by	by	ADP
eurjchem-2498	493	12	nics	nic	NOUN
eurjchem-2498	493	13	and	and	CCONJ
eurjchem-2498	493	14	homa	homa	NOUN
eurjchem-2498	493	15	.	.	PUNCT
eurjchem-2498	494	1	for	for	ADP
eurjchem-2498	494	2	the	the	DET
eurjchem-2498	494	3	title	title	NOUN
eurjchem-2498	494	4	compounds	compound	VERB
eurjchem-2498	494	5	1	1	NUM
eurjchem-2498	494	6	and	and	CCONJ
eurjchem-2498	494	7	2	2	NUM
eurjchem-2498	494	8	,	,	PUNCT
eurjchem-2498	494	9	the	the	DET
eurjchem-2498	494	10	first	first	ADJ
eurjchem-2498	494	11	-	-	PUNCT
eurjchem-2498	494	12	order	order	NOUN
eurjchem-2498	494	13	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2498	494	14	is	be	AUX
eurjchem-2498	494	15	3.72×10	3.72×10	NUM
eurjchem-2498	494	16	-	-	SYM
eurjchem-2498	494	17	30	30	NUM
eurjchem-2498	494	18	and	and	CCONJ
eurjchem-2498	494	19	6.21×10	6.21×10	NUM
eurjchem-2498	494	20	-	-	SYM
eurjchem-2498	494	21	30	30	NUM
eurjchem-2498	494	22	e.s.u	e.s.u	NOUN
eurjchem-2498	494	23	.	.	PUNCT
eurjchem-2498	495	1	of	of	ADP
eurjchem-2498	495	2	the	the	DET
eurjchem-2498	495	3	compounds	compound	NOUN
eurjchem-2498	495	4	under	under	ADP
eurjchem-2498	495	5	investigation	investigation	NOUN
eurjchem-2498	495	6	,	,	PUNCT
eurjchem-2498	495	7	compound	compound	NOUN
eurjchem-2498	495	8	2	2	NUM
eurjchem-2498	495	9	shows	show	VERB
eurjchem-2498	495	10	greater	great	ADJ
eurjchem-2498	495	11	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2498	495	12	than	than	ADP
eurjchem-2498	495	13	urea	urea	NOUN
eurjchem-2498	495	14	.	.	PUNCT
eurjchem-2498	496	1	therefore	therefore	ADV
eurjchem-2498	496	2	,	,	PUNCT
eurjchem-2498	496	3	the	the	DET
eurjchem-2498	496	4	compounds	compound	NOUN
eurjchem-2498	496	5	under	under	ADP
eurjchem-2498	496	6	study	study	NOUN
eurjchem-2498	496	7	promote	promote	VERB
eurjchem-2498	496	8	good	good	ADJ
eurjchem-2498	496	9	non	non	ADJ
eurjchem-2498	496	10	-	-	ADJ
eurjchem-2498	496	11	linear	linear	ADJ
eurjchem-2498	496	12	properties	property	NOUN
eurjchem-2498	496	13	and	and	CCONJ
eurjchem-2498	496	14	have	have	VERB
eurjchem-2498	496	15	the	the	DET
eurjchem-2498	496	16	potential	potential	NOUN
eurjchem-2498	496	17	to	to	PART
eurjchem-2498	496	18	be	be	AUX
eurjchem-2498	496	19	explored	explore	VERB
eurjchem-2498	496	20	as	as	ADP
eurjchem-2498	496	21	candidates	candidate	NOUN
eurjchem-2498	496	22	for	for	ADP
eurjchem-2498	496	23	nlo	nlo	PROPN
eurjchem-2498	496	24	properties	property	NOUN
eurjchem-2498	496	25	.	.	PUNCT
eurjchem-2498	497	1	compound	compound	NOUN
eurjchem-2498	497	2	1	1	NUM
eurjchem-2498	497	3	is	be	AUX
eurjchem-2498	497	4	not	not	PART
eurjchem-2498	497	5	synthesized	synthesize	VERB
eurjchem-2498	497	6	and	and	CCONJ
eurjchem-2498	497	7	is	be	AUX
eurjchem-2498	497	8	used	use	VERB
eurjchem-2498	497	9	only	only	ADV
eurjchem-2498	497	10	for	for	ADP
eurjchem-2498	497	11	theoretical	theoretical	ADJ
eurjchem-2498	497	12	comparisons	comparison	NOUN
eurjchem-2498	497	13	.	.	PUNCT
eurjchem-2498	498	1	acknowledgements	acknowledgement	NOUN
eurjchem-2498	498	2	we	we	PRON
eurjchem-2498	498	3	thank	thank	VERB
eurjchem-2498	498	4	the	the	DET
eurjchem-2498	498	5	department	department	NOUN
eurjchem-2498	498	6	of	of	ADP
eurjchem-2498	498	7	chemistry	chemistry	PROPN
eurjchem-2498	498	8	,	,	PUNCT
eurjchem-2498	498	9	annamalai	annamalai	PROPN
eurjchem-2498	498	10	university	university	PROPN
eurjchem-2498	498	11	,	,	PUNCT
eurjchem-2498	498	12	chidambaram	chidambaram	PROPN
eurjchem-2498	498	13	,	,	PUNCT
eurjchem-2498	498	14	for	for	ADP
eurjchem-2498	498	15	providing	provide	VERB
eurjchem-2498	498	16	the	the	DET
eurjchem-2498	498	17	lab	lab	NOUN
eurjchem-2498	498	18	and	and	CCONJ
eurjchem-2498	498	19	instrumentation	instrumentation	NOUN
eurjchem-2498	498	20	facilities	facility	NOUN
eurjchem-2498	498	21	.	.	PUNCT
eurjchem-2498	499	1	disclosure	disclosure	NOUN
eurjchem-2498	499	2	statement	statement	NOUN
eurjchem-2498	499	3	conflict	conflict	NOUN
eurjchem-2498	499	4	of	of	ADP
eurjchem-2498	499	5	interests	interest	NOUN
eurjchem-2498	499	6	:	:	PUNCT
eurjchem-2498	499	7	the	the	DET
eurjchem-2498	499	8	authors	author	NOUN
eurjchem-2498	499	9	declare	declare	VERB
eurjchem-2498	499	10	that	that	SCONJ
eurjchem-2498	499	11	they	they	PRON
eurjchem-2498	499	12	have	have	VERB
eurjchem-2498	499	13	no	no	DET
eurjchem-2498	499	14	conflict	conflict	NOUN
eurjchem-2498	499	15	of	of	ADP
eurjchem-2498	499	16	interest	interest	NOUN
eurjchem-2498	499	17	.	.	PUNCT
eurjchem-2498	500	1	ethical	ethical	ADJ
eurjchem-2498	500	2	approval	approval	NOUN
eurjchem-2498	500	3	:	:	PUNCT
eurjchem-2498	501	1	all	all	DET
eurjchem-2498	501	2	ethical	ethical	ADJ
eurjchem-2498	501	3	guidelines	guideline	NOUN
eurjchem-2498	501	4	have	have	AUX
eurjchem-2498	501	5	been	be	AUX
eurjchem-2498	501	6	adhered	adhere	VERB
eurjchem-2498	501	7	to	to	ADP
eurjchem-2498	501	8	.	.	PUNCT
eurjchem-2498	502	1	sample	sample	NOUN
eurjchem-2498	502	2	availability	availability	NOUN
eurjchem-2498	502	3	:	:	PUNCT
eurjchem-2498	502	4	samples	sample	NOUN
eurjchem-2498	502	5	of	of	ADP
eurjchem-2498	502	6	the	the	DET
eurjchem-2498	502	7	compounds	compound	NOUN
eurjchem-2498	502	8	are	be	AUX
eurjchem-2498	502	9	available	available	ADJ
eurjchem-2498	502	10	from	from	ADP
eurjchem-2498	502	11	the	the	DET
eurjchem-2498	502	12	author	author	NOUN
eurjchem-2498	502	13	.	.	PUNCT
eurjchem-2498	503	1	credit	credit	NOUN
eurjchem-2498	503	2	authorship	authorship	NOUN
eurjchem-2498	503	3	contribution	contribution	NOUN
eurjchem-2498	503	4	statement	statement	NOUN
eurjchem-2498	503	5	conceptualization	conceptualization	NOUN
eurjchem-2498	503	6	:	:	PUNCT
eurjchem-2498	503	7	richard	richard	PROPN
eurjchem-2498	503	8	rajkumar	rajkumar	PROPN
eurjchem-2498	503	9	siluvairaj	siluvairaj	PROPN
eurjchem-2498	503	10	,	,	PUNCT
eurjchem-2498	503	11	thanikachalam	thanikachalam	PROPN
eurjchem-2498	503	12	venugopal	venugopal	NOUN
eurjchem-2498	503	13	;	;	PUNCT
eurjchem-2498	503	14	methodology	methodology	NOUN
eurjchem-2498	503	15	:	:	PUNCT
eurjchem-2498	503	16	richard	richard	PROPN
eurjchem-2498	503	17	rajkumar	rajkumar	PROPN
eurjchem-2498	503	18	siluvairaj	siluvairaj	PROPN
eurjchem-2498	503	19	,	,	PUNCT
eurjchem-2498	503	20	thanikachalam	thanikachalam	PROPN
eurjchem-2498	503	21	venugopal	venugopal	NOUN
eurjchem-2498	503	22	;	;	PUNCT
eurjchem-2498	503	23	software	software	NOUN
eurjchem-2498	503	24	:	:	PUNCT
eurjchem-2498	503	25	richard	richard	PROPN
eurjchem-2498	503	26	rajkumar	rajkumar	PROPN
eurjchem-2498	503	27	siluvairaj	siluvairaj	PROPN
eurjchem-2498	503	28	,	,	PUNCT
eurjchem-2498	503	29	vallal	vallal	NOUN
eurjchem-2498	503	30	perumal	perumal	NOUN
eurjchem-2498	503	31	govindasamy	govindasamy	NOUN
eurjchem-2498	503	32	;	;	PUNCT
eurjchem-2498	503	33	validation	validation	NOUN
eurjchem-2498	503	34	:	:	PUNCT
eurjchem-2498	503	35	richard	richard	PROPN
eurjchem-2498	503	36	rajkumar	rajkumar	PROPN
eurjchem-2498	503	37	siluvairaj	siluvairaj	PROPN
eurjchem-2498	503	38	,	,	PUNCT
eurjchem-2498	503	39	thanikachalam	thanikachalam	PROPN
eurjchem-2498	503	40	venugopal	venugopal	NOUN
eurjchem-2498	503	41	;	;	PUNCT
eurjchem-2498	503	42	formal	formal	ADJ
eurjchem-2498	503	43	analysis	analysis	NOUN
eurjchem-2498	503	44	:	:	PUNCT
eurjchem-2498	503	45	periyanayagasamy	periyanayagasamy	ADJ
eurjchem-2498	503	46	vanathu	vanathu	NOUN
eurjchem-2498	503	47	chinnappan	chinnappan	PROPN
eurjchem-2498	503	48	;	;	PUNCT
eurjchem-2498	503	49	investigation	investigation	NOUN
eurjchem-2498	503	50	:	:	PUNCT
eurjchem-2498	503	51	richard	richard	PROPN
eurjchem-2498	503	52	rajkumar	rajkumar	PROPN
eurjchem-2498	503	53	siluvairaj	siluvairaj	PROPN
eurjchem-2498	503	54	,	,	PUNCT
eurjchem-2498	503	55	thanikachalam	thanikachalam	PROPN
eurjchem-2498	503	56	venugopal	venugopal	NOUN
eurjchem-2498	503	57	;	;	PUNCT
eurjchem-2498	503	58	resources	resource	NOUN
eurjchem-2498	503	59	:	:	PUNCT
eurjchem-2498	503	60	rajarajan	rajarajan	ADJ
eurjchem-2498	503	61	govindasamy	govindasamy	NOUN
eurjchem-2498	503	62	,	,	PUNCT
eurjchem-2498	503	63	vallal	vallal	NOUN
eurjchem-2498	503	64	perumal	perumal	NOUN
eurjchem-2498	503	65	govindasamy	govindasamy	NOUN
eurjchem-2498	503	66	;	;	PUNCT
eurjchem-2498	503	67	data	datum	NOUN
eurjchem-2498	503	68	curation	curation	NOUN
eurjchem-2498	503	69	:	:	PUNCT
eurjchem-2498	503	70	richard	richard	PROPN
eurjchem-2498	503	71	rajkumar	rajkumar	PROPN
eurjchem-2498	503	72	siluvairaj	siluvairaj	PROPN
eurjchem-2498	503	73	,	,	PUNCT
eurjchem-2498	503	74	vallal	vallal	NOUN
eurjchem-2498	503	75	perumal	perumal	NOUN
eurjchem-2498	503	76	govindasamy	govindasamy	NOUN
eurjchem-2498	503	77	;	;	PUNCT
eurjchem-2498	503	78	writing	write	VERB
eurjchem-2498	503	79	original	original	ADJ
eurjchem-2498	503	80	draft	draft	NOUN
eurjchem-2498	503	81	:	:	PUNCT
eurjchem-2498	503	82	thanikachalam	thanikachalam	PROPN
eurjchem-2498	503	83	venugopal	venugopal	PROPN
eurjchem-2498	503	84	,	,	PUNCT
eurjchem-2498	503	85	richard	richard	PROPN
eurjchem-2498	503	86	rajkumar	rajkumar	PROPN
eurjchem-2498	503	87	siluvairaj	siluvairaj	PROPN
eurjchem-2498	503	88	;	;	PUNCT
eurjchem-2498	503	89	writing	write	VERB
eurjchem-2498	503	90	review	review	NOUN
eurjchem-2498	503	91	and	and	CCONJ
eurjchem-2498	503	92	editing	editing	NOUN
eurjchem-2498	503	93	:	:	PUNCT
eurjchem-2498	503	94	thanikachalam	thanikachalam	PROPN
eurjchem-2498	503	95	venugopal	venugopal	PROPN
eurjchem-2498	503	96	,	,	PUNCT
eurjchem-2498	503	97	rajarajan	rajarajan	ADJ
eurjchem-2498	503	98	govindasamy	govindasamy	NOUN
eurjchem-2498	503	99	;	;	PUNCT
eurjchem-2498	503	100	visualization	visualization	NOUN
eurjchem-2498	503	101	:	:	PUNCT
eurjchem-2498	503	102	vallal	vallal	PROPN
eurjchem-2498	503	103	perumal	perumal	NOUN
eurjchem-2498	503	104	govindasamy	govindasamy	NOUN
eurjchem-2498	503	105	;	;	PUNCT
eurjchem-2498	503	106	supervision	supervision	NOUN
eurjchem-2498	503	107	:	:	PUNCT
eurjchem-2498	503	108	thanikachalam	thanikachalam	PROPN
eurjchem-2498	503	109	venugopal	venugopal	PROPN
eurjchem-2498	503	110	;	;	PUNCT
eurjchem-2498	503	111	project	project	NOUN
eurjchem-2498	503	112	administration	administration	NOUN
eurjchem-2498	503	113	:	:	PUNCT
eurjchem-2498	503	114	thanikachalam	thanikachalam	PROPN
eurjchem-2498	503	115	venugopal	venugopal	PROPN
eurjchem-2498	503	116	,	,	PUNCT
eurjchem-2498	503	117	richard	richard	PROPN
eurjchem-2498	503	118	rajkumar	rajkumar	PROPN
eurjchem-2498	503	119	siluvairaj	siluvairaj	VERB
eurjchem-2498	503	120	.	.	PUNCT
eurjchem-2498	504	1	orcid	orcid	NOUN
eurjchem-2498	504	2	and	and	CCONJ
eurjchem-2498	504	3	email	email	PROPN
eurjchem-2498	504	4	richard	richard	PROPN
eurjchem-2498	504	5	rajkumar	rajkumar	PROPN
eurjchem-2498	504	6	siluvairaj	siluvairaj	VERB
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eurjchem-2498	505	1	https://orcid.org/0000-0002-0064-8603	https://orcid.org/0000-0002-0064-8603	NOUN
eurjchem-2498	505	2	vallal	vallal	VERB
eurjchem-2498	505	3	perumal	perumal	ADJ
eurjchem-2498	505	4	govindasamy	govindasamy	NOUN
eurjchem-2498	505	5	vallalg99@gmail.com	vallalg99@gmail.com	X
eurjchem-2498	505	6	https://orcid.org/0009-0003-4479-6928	https://orcid.org/0009-0003-4479-6928	NOUN
eurjchem-2498	505	7	rajarajan	rajarajan	ADJ
eurjchem-2498	505	8	govindasamy	govindasamy	NOUN
eurjchem-2498	506	1	rajarajang70@gmail.com	rajarajang70@gmail.com	PROPN
eurjchem-2498	506	2	https://orcid.org/0000-0002-4186-189x	https://orcid.org/0000-0002-4186-189x	ADJ
eurjchem-2498	506	3	periyanayagasamy	periyanayagasamy	NOUN
eurjchem-2498	506	4	vanathu	vanathu	NOUN
eurjchem-2498	506	5	chinnappan	chinnappan	PROPN
eurjchem-2498	506	6	vpsamychem@gmail.com	vpsamychem@gmail.com	PROPN
eurjchem-2498	507	1	https://orcid.org/0009-0000-5370-1263	https://orcid.org/0009-0000-5370-1263	PROPN
eurjchem-2498	507	2	thanikachalam	thanikachalam	PROPN
eurjchem-2498	507	3	venugopal	venugopal	PROPN
eurjchem-2498	507	4	profvt.chemau@gmail.com	profvt.chemau@gmail.com	X
eurjchem-2498	508	1	pvta1998@yahoo.co.in	pvta1998@yahoo.co.in	PROPN
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eurjchem-2498	508	4	[	[	X
eurjchem-2498	508	5	1	1	NUM
eurjchem-2498	508	6	]	]	PUNCT
eurjchem-2498	508	7	.	.	PUNCT
eurjchem-2498	509	1	zubrys	zubry	NOUN
eurjchem-2498	509	2	,	,	PUNCT
eurjchem-2498	509	3	a.	a.	NOUN
eurjchem-2498	509	4	;	;	PUNCT
eurjchem-2498	509	5	siebenmann	siebenmann	PROPN
eurjchem-2498	509	6	,	,	PUNCT
eurjchem-2498	509	7	c.	c.	PROPN
eurjchem-2498	509	8	o.	o.	PROPN
eurjchem-2498	509	9	antituberculous	antituberculous	ADJ
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eurjchem-2498	509	12	low	low	ADJ
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eurjchem-2498	509	14	.	.	PUNCT
eurjchem-2498	510	1	can	can	AUX
eurjchem-2498	510	2	.	.	PUNCT
eurjchem-2498	511	1	j.	j.	PROPN
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eurjchem-2498	511	3	.	.	PUNCT
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eurjchem-2498	512	2	,	,	PUNCT
eurjchem-2498	512	3	33	33	NUM
eurjchem-2498	512	4	,	,	PUNCT
eurjchem-2498	512	5	11–14	11–14	NUM
eurjchem-2498	512	6	.	.	PUNCT
eurjchem-2498	513	1	[	[	X
eurjchem-2498	513	2	2	2	NUM
eurjchem-2498	513	3	]	]	PUNCT
eurjchem-2498	513	4	.	.	PUNCT
eurjchem-2498	513	5	yoshino	yoshino	PROPN
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eurjchem-2498	513	7	j.	j.	PROPN
eurjchem-2498	513	8	;	;	PUNCT
eurjchem-2498	513	9	kano	kano	PROPN
eurjchem-2498	513	10	,	,	PUNCT
eurjchem-2498	513	11	n.	n.	PROPN
eurjchem-2498	513	12	;	;	PUNCT
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eurjchem-2498	513	14	,	,	PUNCT
eurjchem-2498	513	15	t.	t.	PROPN
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eurjchem-2498	513	21	featuring	feature	VERB
eurjchem-2498	513	22	an	an	DET
eurjchem-2498	513	23	n	n	CCONJ
eurjchem-2498	513	24	–	–	PUNCT
eurjchem-2498	513	25	b	b	NOUN
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eurjchem-2498	513	27	.	.	PUNCT
eurjchem-2498	514	1	dalton	dalton	PROPN
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eurjchem-2498	514	3	.	.	PROPN
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eurjchem-2498	515	2	,	,	PUNCT
eurjchem-2498	515	3	42	42	NUM
eurjchem-2498	515	4	,	,	PUNCT
eurjchem-2498	515	5	15826–15834	15826–15834	NUM
eurjchem-2498	515	6	.	.	PUNCT
eurjchem-2498	516	1	[	[	X
eurjchem-2498	516	2	3	3	NUM
eurjchem-2498	516	3	]	]	PUNCT
eurjchem-2498	516	4	.	.	PUNCT
eurjchem-2498	517	1	baryshnikova	baryshnikova	PROPN
eurjchem-2498	517	2	,	,	PUNCT
eurjchem-2498	517	3	e.	e.	PROPN
eurjchem-2498	517	4	l.	l.	PROPN
eurjchem-2498	517	5	;	;	PUNCT
eurjchem-2498	517	6	makhova	makhova	PROPN
eurjchem-2498	517	7	,	,	PUNCT
eurjchem-2498	517	8	n.	n.	PROPN
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eurjchem-2498	517	13	-	-	PUNCT
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eurjchem-2498	517	19	.	.	PUNCT
eurjchem-2498	518	1	mendeleev	mendeleev	PROPN
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eurjchem-2498	519	2	,	,	PUNCT
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eurjchem-2498	519	6	.	.	PUNCT
eurjchem-2498	520	1	[	[	X
eurjchem-2498	520	2	4	4	NUM
eurjchem-2498	520	3	]	]	PUNCT
eurjchem-2498	520	4	.	.	PUNCT
eurjchem-2498	520	5	dimmock	dimmock	PROPN
eurjchem-2498	520	6	,	,	PUNCT
eurjchem-2498	520	7	j.	j.	PROPN
eurjchem-2498	520	8	r.	r.	PROPN
eurjchem-2498	520	9	;	;	PUNCT
eurjchem-2498	520	10	vashishtha	vashishtha	PROPN
eurjchem-2498	520	11	,	,	PUNCT
eurjchem-2498	520	12	s.	s.	PROPN
eurjchem-2498	520	13	c.	c.	PROPN
eurjchem-2498	520	14	;	;	PUNCT
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eurjchem-2498	520	29	from	from	ADP
eurjchem-2498	520	30	aromatic	aromatic	ADJ
eurjchem-2498	520	31	and	and	CCONJ
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eurjchem-2498	520	35	.	.	PUNCT
eurjchem-2498	521	1	eur	eur	PROPN
eurjchem-2498	521	2	.	.	PUNCT
eurjchem-2498	522	1	j.	j.	PROPN
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eurjchem-2498	522	3	.	.	PROPN
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eurjchem-2498	522	5	.	.	PUNCT
eurjchem-2498	523	1	2000	2000	NUM
eurjchem-2498	523	2	,	,	PUNCT
eurjchem-2498	523	3	35	35	NUM
eurjchem-2498	523	4	,	,	PUNCT
eurjchem-2498	523	5	241–248	241–248	NUM
eurjchem-2498	523	6	.	.	PUNCT
eurjchem-2498	524	1	[	[	X
eurjchem-2498	524	2	5	5	NUM
eurjchem-2498	524	3	]	]	PUNCT
eurjchem-2498	524	4	.	.	PUNCT
eurjchem-2498	525	1	rollas	rollas	PROPN
eurjchem-2498	525	2	,	,	PUNCT
eurjchem-2498	525	3	s.	s.	PROPN
eurjchem-2498	525	4	;	;	PUNCT
eurjchem-2498	525	5	gulerman	gulerman	NOUN
eurjchem-2498	525	6	,	,	PUNCT
eurjchem-2498	525	7	n.	n.	NOUN
eurjchem-2498	525	8	;	;	PUNCT
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eurjchem-2498	525	10	,	,	PUNCT
eurjchem-2498	525	11	h.	h.	NOUN
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eurjchem-2498	525	15	activity	activity	NOUN
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eurjchem-2498	525	17	some	some	DET
eurjchem-2498	525	18	new	new	ADJ
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eurjchem-2498	525	21	4	4	NUM
eurjchem-2498	525	22	-	-	PUNCT
eurjchem-2498	525	23	fluorobenzoic	fluorobenzoic	ADJ
eurjchem-2498	525	24	acid	acid	NOUN
eurjchem-2498	525	25	hydrazide	hydrazide	NOUN
eurjchem-2498	525	26	and	and	CCONJ
eurjchem-2498	525	27	3	3	NUM
eurjchem-2498	525	28	-	-	PUNCT
eurjchem-2498	525	29	acetyl-2,5	acetyl-2,5	ADV
eurjchem-2498	525	30	-	-	PUNCT
eurjchem-2498	525	31	disubstituted-1,3,4	disubstituted-1,3,4	NOUN
eurjchem-2498	525	32	-	-	PUNCT
eurjchem-2498	525	33	oxadiazolines	oxadiazoline	NOUN
eurjchem-2498	525	34	.	.	PUNCT
eurjchem-2498	526	1	farmaco	farmaco	PROPN
eurjchem-2498	526	2	2002	2002	NUM
eurjchem-2498	526	3	,	,	PUNCT
eurjchem-2498	526	4	57	57	NUM
eurjchem-2498	526	5	,	,	PUNCT
eurjchem-2498	526	6	171–174	171–174	NUM
eurjchem-2498	526	7	.	.	PUNCT
eurjchem-2498	527	1	[	[	X
eurjchem-2498	527	2	6	6	NUM
eurjchem-2498	527	3	]	]	PUNCT
eurjchem-2498	527	4	.	.	PUNCT
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eurjchem-2498	528	3	r.	r.	PROPN
eurjchem-2498	528	4	;	;	PUNCT
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eurjchem-2498	528	6	,	,	PUNCT
eurjchem-2498	528	7	r.	r.	PROPN
eurjchem-2498	528	8	;	;	PUNCT
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eurjchem-2498	528	10	,	,	PUNCT
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eurjchem-2498	528	12	g.	g.	PROPN
eurjchem-2498	528	13	in	in	ADP
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eurjchem-2498	528	23	,	,	PUNCT
eurjchem-2498	528	24	hydrazides	hydrazide	NOUN
eurjchem-2498	528	25	and	and	CCONJ
eurjchem-2498	528	26	cyanoboranes	cyanoborane	NOUN
eurjchem-2498	528	27	:	:	PUNCT
eurjchem-2498	528	28	part	part	NOUN
eurjchem-2498	528	29	14	14	NUM
eurjchem-2498	528	30	.	.	PUNCT
eurjchem-2498	529	1	bioorg	bioorg	PROPN
eurjchem-2498	529	2	.	.	PUNCT
eurjchem-2498	530	1	med	med	PROPN
eurjchem-2498	530	2	.	.	PROPN
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eurjchem-2498	530	4	.	.	PUNCT
eurjchem-2498	531	1	lett	lett	PROPN
eurjchem-2498	531	2	.	.	PUNCT
eurjchem-2498	532	1	2005	2005	NUM
eurjchem-2498	532	2	,	,	PUNCT
eurjchem-2498	532	3	15	15	NUM
eurjchem-2498	532	4	,	,	PUNCT
eurjchem-2498	532	5	2509–2513	2509–2513	NUM
eurjchem-2498	532	6	.	.	PUNCT
eurjchem-2498	533	1	[	[	X
eurjchem-2498	533	2	7	7	NUM
eurjchem-2498	533	3	]	]	PUNCT
eurjchem-2498	533	4	.	.	PUNCT
eurjchem-2498	534	1	özdemir	özdemir	PROPN
eurjchem-2498	534	2	,	,	PUNCT
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eurjchem-2498	534	4	;	;	PUNCT
eurjchem-2498	534	5	turan	turan	PROPN
eurjchem-2498	534	6	-	-	PUNCT
eurjchem-2498	534	7	zitouni	zitouni	PROPN
eurjchem-2498	534	8	,	,	PUNCT
eurjchem-2498	534	9	g.	g.	PROPN
eurjchem-2498	534	10	;	;	PUNCT
eurjchem-2498	534	11	kaplancikli	kaplancikli	PROPN
eurjchem-2498	534	12	,	,	PUNCT
eurjchem-2498	534	13	z.	z.	PROPN
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eurjchem-2498	534	27	.	.	PUNCT
eurjchem-2498	535	1	j.	j.	PROPN
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eurjchem-2498	535	4	.	.	PUNCT
eurjchem-2498	536	1	med	med	PROPN
eurjchem-2498	536	2	.	.	PROPN
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eurjchem-2498	536	4	.	.	PUNCT
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eurjchem-2498	537	2	,	,	PUNCT
eurjchem-2498	537	3	24	24	NUM
eurjchem-2498	537	4	,	,	PUNCT
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eurjchem-2498	537	6	.	.	PUNCT
eurjchem-2498	538	1	[	[	X
eurjchem-2498	538	2	8	8	NUM
eurjchem-2498	538	3	]	]	PUNCT
eurjchem-2498	538	4	.	.	PUNCT
eurjchem-2498	539	1	ajani	ajani	PROPN
eurjchem-2498	539	2	,	,	PUNCT
eurjchem-2498	539	3	o.	o.	PROPN
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eurjchem-2498	539	5	;	;	PUNCT
eurjchem-2498	539	6	obafemi	obafemi	ADV
eurjchem-2498	539	7	,	,	PUNCT
eurjchem-2498	539	8	c.	c.	PROPN
eurjchem-2498	539	9	a.	a.	PROPN
eurjchem-2498	539	10	;	;	PUNCT
eurjchem-2498	539	11	nwinyi	nwinyi	NOUN
eurjchem-2498	539	12	,	,	PUNCT
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eurjchem-2498	539	27	2	2	NUM
eurjchem-2498	539	28	-	-	PUNCT
eurjchem-2498	539	29	quinoxalinone-3hydrazone	quinoxalinone-3hydrazone	NUM
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eurjchem-2498	539	31	.	.	PUNCT
eurjchem-2498	540	1	bioorg	bioorg	VERB
eurjchem-2498	540	2	.	.	PUNCT
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eurjchem-2498	541	2	.	.	PROPN
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eurjchem-2498	541	4	.	.	PUNCT
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eurjchem-2498	542	2	,	,	PUNCT
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eurjchem-2498	542	4	,	,	PUNCT
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eurjchem-2498	542	6	.	.	PUNCT
eurjchem-2498	543	1	[	[	X
eurjchem-2498	543	2	9	9	NUM
eurjchem-2498	543	3	]	]	PUNCT
eurjchem-2498	543	4	.	.	PUNCT
eurjchem-2498	544	1	li	li	PROPN
eurjchem-2498	544	2	,	,	PUNCT
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eurjchem-2498	544	4	;	;	PUNCT
eurjchem-2498	544	5	li	li	PROPN
eurjchem-2498	544	6	,	,	PUNCT
eurjchem-2498	544	7	h.	h.	PROPN
eurjchem-2498	544	8	;	;	PUNCT
eurjchem-2498	544	9	liu	liu	PROPN
eurjchem-2498	544	10	,	,	PUNCT
eurjchem-2498	544	11	g.	g.	PROPN
eurjchem-2498	544	12	;	;	PUNCT
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eurjchem-2498	544	14	,	,	PUNCT
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eurjchem-2498	544	25	cu2	cu2	NOUN
eurjchem-2498	544	26	+	+	CCONJ
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eurjchem-2498	544	28	on	on	ADP
eurjchem-2498	544	29	a	a	DET
eurjchem-2498	544	30	new	new	ADJ
eurjchem-2498	544	31	diarylethene	diarylethene	NOUN
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eurjchem-2498	544	33	a	a	DET
eurjchem-2498	544	34	benzophenone	benzophenone	NOUN
eurjchem-2498	544	35	hydrazone	hydrazone	NOUN
eurjchem-2498	544	36	unit	unit	NOUN
eurjchem-2498	544	37	.	.	PUNCT
eurjchem-2498	545	1	luminescence	luminescence	NOUN
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eurjchem-2498	545	3	,	,	PUNCT
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eurjchem-2498	545	5	,	,	PUNCT
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eurjchem-2498	545	7	.	.	PUNCT
eurjchem-2498	546	1	[	[	X
eurjchem-2498	546	2	10	10	NUM
eurjchem-2498	546	3	]	]	PUNCT
eurjchem-2498	546	4	.	.	PUNCT
eurjchem-2498	547	1	biju	biju	PROPN
eurjchem-2498	547	2	,	,	PUNCT
eurjchem-2498	547	3	s.	s.	PROPN
eurjchem-2498	547	4	;	;	PUNCT
eurjchem-2498	547	5	kumar	kumar	PROPN
eurjchem-2498	547	6	,	,	PUNCT
eurjchem-2498	547	7	s.	s.	PROPN
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eurjchem-2498	547	9	;	;	PUNCT
eurjchem-2498	547	10	sadasivan	sadasivan	NOUN
eurjchem-2498	547	11	,	,	PUNCT
eurjchem-2498	547	12	v.	v.	CCONJ
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eurjchem-2498	547	14	,	,	PUNCT
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eurjchem-2498	547	16	and	and	CCONJ
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eurjchem-2498	547	18	crystal	crystal	NOUN
eurjchem-2498	547	19	x	x	PROPN
eurjchem-2498	547	20	-	-	NOUN
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eurjchem-2498	547	25	-	-	PUNCT
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eurjchem-2498	547	27	-	-	PUNCT
eurjchem-2498	547	28	oxo-1	oxo-1	ADV
eurjchem-2498	547	29	-	-	PUNCT
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eurjchem-2498	547	31	-	-	PUNCT
eurjchem-2498	547	32	pyrazol-4	pyrazol-4	NOUN
eurjchem-2498	547	33	-	-	PUNCT
eurjchem-2498	547	34	yl)hydrazono)pyrimidine-2,4,6(1h,3h,5h)trione	yl)hydrazono)pyrimidine-2,4,6(1h,3h,5h)trione	NOUN
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eurjchem-2498	547	36	its	its	PRON
eurjchem-2498	547	37	copper(ii	copper(ii	NOUN
eurjchem-2498	547	38	)	)	PUNCT
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eurjchem-2498	547	40	.	.	PUNCT
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eurjchem-2498	548	3	,	,	PUNCT
eurjchem-2498	548	4	144	144	NUM
eurjchem-2498	548	5	,	,	PUNCT
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eurjchem-2498	548	7	.	.	PUNCT
eurjchem-2498	549	1	[	[	X
eurjchem-2498	549	2	11	11	NUM
eurjchem-2498	549	3	]	]	PUNCT
eurjchem-2498	549	4	.	.	PUNCT
eurjchem-2498	550	1	bernades	bernades	PROPN
eurjchem-2498	550	2	,	,	PUNCT
eurjchem-2498	550	3	c.	c.	NOUN
eurjchem-2498	550	4	;	;	PUNCT
eurjchem-2498	550	5	carravetta	carravetta	NOUN
eurjchem-2498	550	6	,	,	PUNCT
eurjchem-2498	550	7	m.	m.	NOUN
eurjchem-2498	550	8	;	;	PUNCT
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eurjchem-2498	550	10	,	,	PUNCT
eurjchem-2498	550	11	s.	s.	PROPN
eurjchem-2498	550	12	j.	j.	PROPN
eurjchem-2498	550	13	;	;	PUNCT
eurjchem-2498	550	14	van	van	PROPN
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eurjchem-2498	550	24	;	;	PUNCT
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eurjchem-2498	550	27	,	,	PUNCT
eurjchem-2498	550	28	m.	m.	PROPN
eurjchem-2498	550	29	e.	e.	PROPN
eurjchem-2498	550	30	m.	m.	PROPN
eurjchem-2498	550	31	;	;	PUNCT
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eurjchem-2498	550	38	,	,	PUNCT
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eurjchem-2498	550	40	;	;	PUNCT
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eurjchem-2498	550	47	;	;	PUNCT
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eurjchem-2498	550	49	,	,	PUNCT
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eurjchem-2498	550	52	;	;	PUNCT
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eurjchem-2498	551	5	e.	e.	PROPN
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eurjchem-2498	551	8	,	,	PUNCT
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eurjchem-2498	551	29	melting	melting	NOUN
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eurjchem-2498	551	33	same	same	ADJ
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eurjchem-2498	551	35	.	.	PUNCT
eurjchem-2498	552	1	cryst	cryst	PROPN
eurjchem-2498	552	2	.	.	PUNCT
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eurjchem-2498	553	5	,	,	PUNCT
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eurjchem-2498	553	7	,	,	PUNCT
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eurjchem-2498	554	5	mailto:rajarajang70@gmail.com	mailto:rajarajang70@gmail.com	X
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eurjchem-2498	554	22	(	(	PUNCT
eurjchem-2498	554	23	1	1	NUM
eurjchem-2498	554	24	)	)	PUNCT
eurjchem-2498	554	25	(	(	PUNCT
eurjchem-2498	554	26	2024	2024	NUM
eurjchem-2498	554	27	)	)	PUNCT
eurjchem-2498	554	28	50	50	NUM
eurjchem-2498	554	29	-	-	SYM
eurjchem-2498	554	30	70	70	NUM
eurjchem-2498	554	31	69	69	NUM
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eurjchem-2498	554	37	chemistry	chemistry	NOUN
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eurjchem-2498	554	39	cc	cc	NOUN
eurjchem-2498	554	40	by	by	ADP
eurjchem-2498	554	41	nc	nc	PROPN
eurjchem-2498	554	42	–	–	PUNCT
eurjchem-2498	554	43	doi	doi	NOUN
eurjchem-2498	554	44	:	:	PUNCT
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eurjchem-2498	554	46	/	/	SYM
eurjchem-2498	554	47	eurjchem.15.1.50	eurjchem.15.1.50	PROPN
eurjchem-2498	554	48	-	-	PROPN
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eurjchem-2498	555	1	[	[	X
eurjchem-2498	555	2	12	12	NUM
eurjchem-2498	555	3	]	]	PUNCT
eurjchem-2498	555	4	.	.	PUNCT
eurjchem-2498	556	1	sumathi	sumathi	PROPN
eurjchem-2498	556	2	,	,	PUNCT
eurjchem-2498	556	3	p.	p.	NOUN
eurjchem-2498	556	4	;	;	PUNCT
eurjchem-2498	556	5	enoch	enoch	PROPN
eurjchem-2498	556	6	,	,	PUNCT
eurjchem-2498	556	7	i.	i.	PROPN
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eurjchem-2498	556	9	m.	m.	PROPN
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eurjchem-2498	556	12	chemosensing	chemosense	VERB
eurjchem-2498	556	13	of	of	ADP
eurjchem-2498	556	14	mg2	mg2	PROPN
eurjchem-2498	556	15	+	+	NUM
eurjchem-2498	556	16	by	by	ADP
eurjchem-2498	556	17	phenylhydrazone	phenylhydrazone	NOUN
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eurjchem-2498	556	21	-	-	PUNCT
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eurjchem-2498	556	23	.	.	PUNCT
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eurjchem-2498	558	1	bioanal	bioanal	ADJ
eurjchem-2498	558	2	.	.	PUNCT
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eurjchem-2498	559	2	.	.	PUNCT
eurjchem-2498	560	1	res	re	NOUN
eurjchem-2498	560	2	.	.	PROPN
eurjchem-2498	560	3	2019	2019	NUM
eurjchem-2498	560	4	,	,	PUNCT
eurjchem-2498	560	5	6(2	6(2	NUM
eurjchem-2498	560	6	)	)	PUNCT
eurjchem-2498	560	7	,	,	PUNCT
eurjchem-2498	560	8	311–317	311–317	NUM
eurjchem-2498	560	9	.	.	PUNCT
eurjchem-2498	561	1	[	[	X
eurjchem-2498	561	2	13	13	NUM
eurjchem-2498	561	3	]	]	PUNCT
eurjchem-2498	561	4	.	.	PUNCT
eurjchem-2498	562	1	ramesh	ramesh	PROPN
eurjchem-2498	562	2	babu	babu	PROPN
eurjchem-2498	562	3	,	,	PUNCT
eurjchem-2498	562	4	r.	r.	PROPN
eurjchem-2498	562	5	;	;	PUNCT
eurjchem-2498	562	6	vijayan	vijayan	PROPN
eurjchem-2498	562	7	,	,	PUNCT
eurjchem-2498	562	8	n.	n.	NOUN
eurjchem-2498	562	9	;	;	PUNCT
eurjchem-2498	562	10	gopalakrishnan	gopalakrishnan	PROPN
eurjchem-2498	562	11	,	,	PUNCT
eurjchem-2498	562	12	r.	r.	PROPN
eurjchem-2498	562	13	;	;	PUNCT
eurjchem-2498	562	14	ramasamy	ramasamy	NOUN
eurjchem-2498	562	15	,	,	PUNCT
eurjchem-2498	562	16	p.	p.	NOUN
eurjchem-2498	562	17	growth	growth	NOUN
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eurjchem-2498	562	22	semicarbazone	semicarbazone	NOUN
eurjchem-2498	562	23	(	(	PUNCT
eurjchem-2498	562	24	bsc	bsc	PROPN
eurjchem-2498	562	25	)	)	PUNCT
eurjchem-2498	562	26	single	single	ADJ
eurjchem-2498	562	27	crystals	crystal	NOUN
eurjchem-2498	562	28	.	.	PUNCT
eurjchem-2498	563	1	j.	j.	PROPN
eurjchem-2498	563	2	cryst	cryst	PROPN
eurjchem-2498	563	3	.	.	PUNCT
eurjchem-2498	564	1	growth	growth	NOUN
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eurjchem-2498	564	3	,	,	PUNCT
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eurjchem-2498	564	5	,	,	PUNCT
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eurjchem-2498	564	7	.	.	PUNCT
eurjchem-2498	565	1	[	[	X
eurjchem-2498	565	2	14	14	NUM
eurjchem-2498	565	3	]	]	PUNCT
eurjchem-2498	565	4	.	.	PUNCT
eurjchem-2498	566	1	vogel	vogel	PROPN
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eurjchem-2498	566	3	a.	a.	NOUN
eurjchem-2498	566	4	i.	i.	PROPN
eurjchem-2498	566	5	;	;	PUNCT
eurjchem-2498	566	6	furniss	furniss	PROPN
eurjchem-2498	566	7	,	,	PUNCT
eurjchem-2498	566	8	b.	b.	PROPN
eurjchem-2498	566	9	s.	s.	PROPN
eurjchem-2498	566	10	vogel	vogel	PROPN
eurjchem-2498	566	11	’s	’s	PART
eurjchem-2498	566	12	textbook	textbook	NOUN
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eurjchem-2498	566	14	practical	practical	ADJ
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eurjchem-2498	566	17	;	;	PUNCT
eurjchem-2498	566	18	longman	longman	NOUN
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eurjchem-2498	566	20	and	and	CCONJ
eurjchem-2498	566	21	technical	technical	ADJ
eurjchem-2498	566	22	,	,	PUNCT
eurjchem-2498	566	23	1989	1989	NUM
eurjchem-2498	566	24	.	.	PUNCT
eurjchem-2498	567	1	[	[	X
eurjchem-2498	567	2	15	15	NUM
eurjchem-2498	567	3	]	]	PUNCT
eurjchem-2498	567	4	.	.	PUNCT
eurjchem-2498	567	5	rauhut	rauhut	PROPN
eurjchem-2498	567	6	,	,	PUNCT
eurjchem-2498	567	7	g.	g.	PROPN
eurjchem-2498	567	8	;	;	PUNCT
eurjchem-2498	567	9	pulay	pulay	NOUN
eurjchem-2498	567	10	,	,	PUNCT
eurjchem-2498	567	11	p.	p.	NOUN
eurjchem-2498	567	12	transferable	transferable	ADJ
eurjchem-2498	567	13	scaling	scale	VERB
eurjchem-2498	567	14	factors	factor	NOUN
eurjchem-2498	567	15	for	for	ADP
eurjchem-2498	567	16	density	density	NOUN
eurjchem-2498	567	17	functional	functional	ADJ
eurjchem-2498	567	18	derived	derive	VERB
eurjchem-2498	567	19	vibrational	vibrational	ADJ
eurjchem-2498	567	20	force	force	NOUN
eurjchem-2498	567	21	fields	field	NOUN
eurjchem-2498	567	22	.	.	PUNCT
eurjchem-2498	568	1	j.	j.	PROPN
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eurjchem-2498	568	3	.	.	PUNCT
eurjchem-2498	569	1	chem	chem	PROPN
eurjchem-2498	569	2	.	.	PUNCT
eurjchem-2498	570	1	1995	1995	NUM
eurjchem-2498	570	2	,	,	PUNCT
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eurjchem-2498	570	4	,	,	PUNCT
eurjchem-2498	570	5	14572–14572	14572–14572	NUM
eurjchem-2498	570	6	.	.	PUNCT
eurjchem-2498	571	1	[	[	X
eurjchem-2498	571	2	16	16	NUM
eurjchem-2498	571	3	]	]	PUNCT
eurjchem-2498	571	4	.	.	PUNCT
eurjchem-2498	572	1	scott	scott	PROPN
eurjchem-2498	572	2	,	,	PUNCT
eurjchem-2498	572	3	a.	a.	NOUN
eurjchem-2498	572	4	p.	p.	NOUN
eurjchem-2498	572	5	;	;	PUNCT
eurjchem-2498	572	6	radom	radom	NOUN
eurjchem-2498	572	7	,	,	PUNCT
eurjchem-2498	572	8	l.	l.	PROPN
eurjchem-2498	572	9	harmonic	harmonic	PROPN
eurjchem-2498	572	10	vibrational	vibrational	ADJ
eurjchem-2498	572	11	frequencies	frequency	NOUN
eurjchem-2498	572	12	:	:	PUNCT
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eurjchem-2498	572	16	hartree−fock	hartree−fock	NOUN
eurjchem-2498	572	17	,	,	PUNCT
eurjchem-2498	572	18	møller−plesset	møller−plesset	VERB
eurjchem-2498	572	19	,	,	PUNCT
eurjchem-2498	572	20	quadratic	quadratic	ADJ
eurjchem-2498	572	21	configuration	configuration	NOUN
eurjchem-2498	572	22	interaction	interaction	NOUN
eurjchem-2498	572	23	,	,	PUNCT
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eurjchem-2498	572	25	functional	functional	ADJ
eurjchem-2498	572	26	theory	theory	NOUN
eurjchem-2498	572	27	,	,	PUNCT
eurjchem-2498	572	28	and	and	CCONJ
eurjchem-2498	572	29	semiempirical	semiempirical	ADJ
eurjchem-2498	572	30	scale	scale	NOUN
eurjchem-2498	572	31	factors	factor	NOUN
eurjchem-2498	572	32	.	.	PUNCT
eurjchem-2498	573	1	j.	j.	PROPN
eurjchem-2498	573	2	phys	phys	PROPN
eurjchem-2498	573	3	.	.	PUNCT
eurjchem-2498	574	1	chem	chem	PROPN
eurjchem-2498	574	2	.	.	PUNCT
eurjchem-2498	575	1	1996	1996	NUM
eurjchem-2498	575	2	,	,	PUNCT
eurjchem-2498	575	3	100	100	NUM
eurjchem-2498	575	4	,	,	PUNCT
eurjchem-2498	575	5	16502–16513	16502–16513	NUM
eurjchem-2498	575	6	.	.	PUNCT
eurjchem-2498	576	1	[	[	X
eurjchem-2498	576	2	17	17	NUM
eurjchem-2498	576	3	]	]	PUNCT
eurjchem-2498	576	4	.	.	PUNCT
eurjchem-2498	576	5	frisch	frisch	PROPN
eurjchem-2498	576	6	,	,	PUNCT
eurjchem-2498	576	7	m.	m.	NOUN
eurjchem-2498	576	8	j.	j.	PROPN
eurjchem-2498	576	9	;	;	PUNCT
eurjchem-2498	576	10	trucks	truck	NOUN
eurjchem-2498	576	11	,	,	PUNCT
eurjchem-2498	576	12	g.	g.	PROPN
eurjchem-2498	576	13	w.	w.	PROPN
eurjchem-2498	576	14	;	;	PUNCT
eurjchem-2498	576	15	schlegel	schlegel	PROPN
eurjchem-2498	576	16	,	,	PUNCT
eurjchem-2498	576	17	h.	h.	PROPN
eurjchem-2498	576	18	b.	b.	PROPN
eurjchem-2498	576	19	;	;	PUNCT
eurjchem-2498	576	20	scuseria	scuseria	PROPN
eurjchem-2498	576	21	,	,	PUNCT
eurjchem-2498	576	22	g.	g.	PROPN
eurjchem-2498	576	23	e.	e.	PROPN
eurjchem-2498	576	24	;	;	PUNCT
eurjchem-2498	576	25	robb	robb	NOUN
eurjchem-2498	576	26	,	,	PUNCT
eurjchem-2498	576	27	m.	m.	NOUN
eurjchem-2498	576	28	a.	a.	PROPN
eurjchem-2498	576	29	;	;	PUNCT
eurjchem-2498	576	30	cheeseman	cheeseman	PROPN
eurjchem-2498	576	31	,	,	PUNCT
eurjchem-2498	576	32	j.	j.	PROPN
eurjchem-2498	576	33	r.	r.	PROPN
eurjchem-2498	576	34	;	;	PUNCT
eurjchem-2498	576	35	montgomery	montgomery	PROPN
eurjchem-2498	576	36	,	,	PUNCT
eurjchem-2498	576	37	j.	j.	PROPN
eurjchem-2498	576	38	a.	a.	PROPN
eurjchem-2498	576	39	;	;	PUNCT
eurjchem-2498	576	40	vreven	vreven	VERB
eurjchem-2498	576	41	,	,	PUNCT
eurjchem-2498	576	42	t.	t.	PROPN
eurjchem-2498	576	43	;	;	PUNCT
eurjchem-2498	576	44	kudin	kudin	PROPN
eurjchem-2498	576	45	,	,	PUNCT
eurjchem-2498	576	46	k.	k.	PROPN
eurjchem-2498	576	47	n.	n.	PROPN
eurjchem-2498	576	48	;	;	PUNCT
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eurjchem-2498	576	50	,	,	PUNCT
eurjchem-2498	576	51	j.	j.	PROPN
eurjchem-2498	576	52	c.	c.	PROPN
eurjchem-2498	576	53	;	;	PUNCT
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eurjchem-2498	576	56	j.	j.	PROPN
eurjchem-2498	576	57	m.	m.	PROPN
eurjchem-2498	576	58	;	;	PUNCT
eurjchem-2498	576	59	iyengar	iyengar	PROPN
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eurjchem-2498	576	61	s.	s.	PROPN
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eurjchem-2498	576	63	;	;	PUNCT
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eurjchem-2498	576	71	;	;	PUNCT
eurjchem-2498	576	72	mennucci	mennucci	PROPN
eurjchem-2498	576	73	,	,	PUNCT
eurjchem-2498	576	74	b.	b.	PROPN
eurjchem-2498	576	75	;	;	PUNCT
eurjchem-2498	576	76	cossi	cossi	PROPN
eurjchem-2498	576	77	,	,	PUNCT
eurjchem-2498	576	78	m.	m.	NOUN
eurjchem-2498	576	79	;	;	PUNCT
eurjchem-2498	576	80	scalmani	scalmani	PROPN
eurjchem-2498	576	81	,	,	PUNCT
eurjchem-2498	576	82	g.	g.	PROPN
eurjchem-2498	576	83	;	;	PUNCT
eurjchem-2498	576	84	rega	rega	PROPN
eurjchem-2498	576	85	,	,	PUNCT
eurjchem-2498	576	86	n.	n.	NOUN
eurjchem-2498	576	87	;	;	PUNCT
eurjchem-2498	576	88	petersson	petersson	PROPN
eurjchem-2498	576	89	,	,	PUNCT
eurjchem-2498	576	90	g.	g.	PROPN
eurjchem-2498	576	91	a.	a.	PROPN
eurjchem-2498	576	92	;	;	PUNCT
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eurjchem-2498	576	94	,	,	PUNCT
eurjchem-2498	576	95	h.	h.	PROPN
eurjchem-2498	576	96	;	;	PUNCT
eurjchem-2498	576	97	hada	hada	PROPN
eurjchem-2498	576	98	,	,	PUNCT
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eurjchem-2498	576	100	;	;	PUNCT
eurjchem-2498	576	101	ehara	ehara	PROPN
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eurjchem-2498	576	108	;	;	PUNCT
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eurjchem-2498	576	112	;	;	PUNCT
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eurjchem-2498	576	115	j.	j.	PROPN
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eurjchem-2498	576	120	;	;	PUNCT
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eurjchem-2498	576	124	;	;	PUNCT
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eurjchem-2498	576	149	;	;	PUNCT
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eurjchem-2498	576	152	h.	h.	PROPN
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eurjchem-2498	576	154	;	;	PUNCT
eurjchem-2498	576	155	cross	cross	PROPN
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eurjchem-2498	576	163	;	;	PUNCT
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eurjchem-2498	576	166	j.	j.	PROPN
eurjchem-2498	576	167	;	;	PUNCT
eurjchem-2498	576	168	gomperts	gomperts	PROPN
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eurjchem-2498	576	171	;	;	PUNCT
eurjchem-2498	576	172	stratmann	stratmann	PROPN
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eurjchem-2498	576	174	r.	r.	PROPN
eurjchem-2498	576	175	e.	e.	PROPN
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eurjchem-2498	576	177	yazyev	yazyev	PROPN
eurjchem-2498	576	178	,	,	PUNCT
eurjchem-2498	576	179	o.	o.	PROPN
eurjchem-2498	576	180	;	;	PUNCT
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eurjchem-2498	576	183	a.	a.	PROPN
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eurjchem-2498	576	188	r.	r.	PROPN
eurjchem-2498	576	189	;	;	PUNCT
eurjchem-2498	576	190	pomelli	pomelli	PROPN
eurjchem-2498	576	191	,	,	PUNCT
eurjchem-2498	576	192	c.	c.	NOUN
eurjchem-2498	576	193	;	;	PUNCT
eurjchem-2498	576	194	ochterski	ochterski	PROPN
eurjchem-2498	576	195	,	,	PUNCT
eurjchem-2498	576	196	j.	j.	PROPN
eurjchem-2498	576	197	w.	w.	PROPN
eurjchem-2498	576	198	;	;	PUNCT
eurjchem-2498	576	199	ayala	ayala	PROPN
eurjchem-2498	576	200	,	,	PUNCT
eurjchem-2498	576	201	p.	p.	PROPN
eurjchem-2498	576	202	y.	y.	PROPN
eurjchem-2498	576	203	;	;	PUNCT
eurjchem-2498	576	204	morokuma	morokuma	PROPN
eurjchem-2498	576	205	,	,	PUNCT
eurjchem-2498	576	206	k.	k.	PROPN
eurjchem-2498	576	207	;	;	PUNCT
eurjchem-2498	576	208	voth	voth	PROPN
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eurjchem-2498	576	214	,	,	PUNCT
eurjchem-2498	576	215	p.	p.	PROPN
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eurjchem-2498	576	219	j.	j.	PROPN
eurjchem-2498	576	220	j.	j.	PROPN
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eurjchem-2498	576	223	,	,	PUNCT
eurjchem-2498	576	224	v.	v.	PROPN
eurjchem-2498	576	225	g.	g.	PROPN
eurjchem-2498	576	226	;	;	PUNCT
eurjchem-2498	576	227	dapprich	dapprich	PROPN
eurjchem-2498	576	228	,	,	PUNCT
eurjchem-2498	576	229	s.	s.	PROPN
eurjchem-2498	576	230	;	;	PUNCT
eurjchem-2498	576	231	daniels	daniels	PROPN
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eurjchem-2498	576	233	a.	a.	PROPN
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eurjchem-2498	576	240	;	;	PUNCT
eurjchem-2498	576	241	farkas	farkas	PROPN
eurjchem-2498	576	242	,	,	PUNCT
eurjchem-2498	576	243	o.	o.	PROPN
eurjchem-2498	576	244	;	;	PUNCT
eurjchem-2498	576	245	malick	malick	PROPN
eurjchem-2498	576	246	,	,	PUNCT
eurjchem-2498	576	247	d.	d.	PROPN
eurjchem-2498	576	248	k.	k.	PROPN
eurjchem-2498	576	249	;	;	PUNCT
eurjchem-2498	576	250	rabuck	rabuck	VERB
eurjchem-2498	576	251	,	,	PUNCT
eurjchem-2498	576	252	a.	a.	PROPN
eurjchem-2498	576	253	d.	d.	PROPN
eurjchem-2498	576	254	;	;	PUNCT
eurjchem-2498	576	255	raghavachari	raghavachari	PROPN
eurjchem-2498	576	256	,	,	PUNCT
eurjchem-2498	576	257	k	k	PROPN
eurjchem-2498	576	258	;	;	PUNCT
eurjchem-2498	576	259	foresman	foresman	PROPN
eurjchem-2498	576	260	,	,	PUNCT
eurjchem-2498	576	261	j.	j.	PROPN
eurjchem-2498	576	262	b.	b.	PROPN
eurjchem-2498	576	263	;	;	PUNCT
eurjchem-2498	576	264	ortiz	ortiz	PROPN
eurjchem-2498	576	265	,	,	PUNCT
eurjchem-2498	576	266	j.	j.	PROPN
eurjchem-2498	576	267	v.	v.	PROPN
eurjchem-2498	576	268	;	;	PUNCT
eurjchem-2498	576	269	cui	cui	PROPN
eurjchem-2498	576	270	,	,	PUNCT
eurjchem-2498	576	271	q.	q.	PROPN
eurjchem-2498	576	272	;	;	PUNCT
eurjchem-2498	576	273	baboul	baboul	ADJ
eurjchem-2498	576	274	,	,	PUNCT
eurjchem-2498	576	275	a.	a.	NOUN
eurjchem-2498	576	276	g.	g.	PROPN
eurjchem-2498	576	277	;	;	PUNCT
eurjchem-2498	576	278	clifford	clifford	PROPN
eurjchem-2498	576	279	,	,	PUNCT
eurjchem-2498	576	280	s.	s.	PROPN
eurjchem-2498	576	281	;	;	PUNCT
eurjchem-2498	576	282	cioslowski	cioslowski	PROPN
eurjchem-2498	576	283	,	,	PUNCT
eurjchem-2498	576	284	j.	j.	PROPN
eurjchem-2498	576	285	;	;	PUNCT
eurjchem-2498	576	286	stefanov	stefanov	PROPN
eurjchem-2498	576	287	,	,	PUNCT
eurjchem-2498	576	288	b.	b.	PROPN
eurjchem-2498	576	289	b.	b.	PROPN
eurjchem-2498	576	290	;	;	PUNCT
eurjchem-2498	576	291	liu	liu	PROPN
eurjchem-2498	576	292	,	,	PUNCT
eurjchem-2498	576	293	g.	g.	PROPN
eurjchem-2498	576	294	;	;	PUNCT
eurjchem-2498	576	295	liashenko	liashenko	PROPN
eurjchem-2498	576	296	,	,	PUNCT
eurjchem-2498	576	297	a.	a.	NOUN
eurjchem-2498	576	298	;	;	PUNCT
eurjchem-2498	576	299	piskorz	piskorz	PROPN
eurjchem-2498	576	300	,	,	PUNCT
eurjchem-2498	576	301	p.	p.	NOUN
eurjchem-2498	576	302	;	;	PUNCT
eurjchem-2498	576	303	komaromi	komaromi	NOUN
eurjchem-2498	576	304	,	,	PUNCT
eurjchem-2498	576	305	i.	i.	NOUN
eurjchem-2498	576	306	;	;	PUNCT
eurjchem-2498	576	307	martin	martin	PROPN
eurjchem-2498	576	308	,	,	PUNCT
eurjchem-2498	576	309	r.	r.	PROPN
eurjchem-2498	576	310	l.	l.	PROPN
eurjchem-2498	576	311	;	;	PUNCT
eurjchem-2498	576	312	fox	fox	PROPN
eurjchem-2498	576	313	,	,	PUNCT
eurjchem-2498	576	314	d.	d.	PROPN
eurjchem-2498	576	315	j.	j.	PROPN
eurjchem-2498	576	316	;	;	PUNCT
eurjchem-2498	576	317	keith	keith	PROPN
eurjchem-2498	576	318	,	,	PUNCT
eurjchem-2498	576	319	t.	t.	PROPN
eurjchem-2498	576	320	;	;	PUNCT
eurjchem-2498	576	321	al	al	PROPN
eurjchem-2498	576	322	-	-	PUNCT
eurjchem-2498	576	323	laham	laham	PROPN
eurjchem-2498	576	324	,	,	PUNCT
eurjchem-2498	576	325	m.	m.	NOUN
eurjchem-2498	576	326	a.	a.	PROPN
eurjchem-2498	576	327	;	;	PUNCT
eurjchem-2498	577	1	peng	peng	PROPN
eurjchem-2498	577	2	,	,	PUNCT
eurjchem-2498	577	3	c.	c.	PROPN
eurjchem-2498	577	4	y.	y.	PROPN
eurjchem-2498	577	5	;	;	PUNCT
eurjchem-2498	577	6	nanayakkara	nanayakkara	PROPN
eurjchem-2498	577	7	,	,	PUNCT
eurjchem-2498	577	8	a.	a.	NOUN
eurjchem-2498	577	9	;	;	PUNCT
eurjchem-2498	577	10	challacombe	challacombe	ADJ
eurjchem-2498	577	11	,	,	PUNCT
eurjchem-2498	577	12	m.	m.	NOUN
eurjchem-2498	577	13	;	;	PUNCT
eurjchem-2498	577	14	gill	gill	PROPN
eurjchem-2498	577	15	,	,	PUNCT
eurjchem-2498	577	16	p.	p.	PROPN
eurjchem-2498	577	17	m.	m.	PROPN
eurjchem-2498	577	18	w.	w.	PROPN
eurjchem-2498	577	19	;	;	PUNCT
eurjchem-2498	577	20	johnson	johnson	PROPN
eurjchem-2498	577	21	,	,	PUNCT
eurjchem-2498	577	22	b.	b.	PROPN
eurjchem-2498	577	23	;	;	PUNCT
eurjchem-2498	577	24	chen	chen	PROPN
eurjchem-2498	577	25	,	,	PUNCT
eurjchem-2498	577	26	w.	w.	PROPN
eurjchem-2498	577	27	;	;	PUNCT
eurjchem-2498	577	28	wong	wong	PROPN
eurjchem-2498	577	29	,	,	PUNCT
eurjchem-2498	577	30	m.	m.	PROPN
eurjchem-2498	577	31	w.	w.	PROPN
eurjchem-2498	577	32	;	;	PUNCT
eurjchem-2498	577	33	gonzalez	gonzalez	PROPN
eurjchem-2498	577	34	,	,	PUNCT
eurjchem-2498	577	35	c.	c.	PROPN
eurjchem-2498	577	36	;	;	PUNCT
eurjchem-2498	577	37	pople	pople	PROPN
eurjchem-2498	577	38	,	,	PUNCT
eurjchem-2498	577	39	j.	j.	PROPN
eurjchem-2498	577	40	a.	a.	PROPN
eurjchem-2498	577	41	gaussian	gaussian	PROPN
eurjchem-2498	577	42	03	03	NUM
eurjchem-2498	577	43	,	,	PUNCT
eurjchem-2498	577	44	revision	revision	NOUN
eurjchem-2498	577	45	a.1	a.1	NOUN
eurjchem-2498	577	46	,	,	PUNCT
eurjchem-2498	577	47	gaussian	gaussian	PROPN
eurjchem-2498	577	48	,	,	PUNCT
eurjchem-2498	577	49	inc	inc	PROPN
eurjchem-2498	577	50	.	.	PROPN
eurjchem-2498	577	51	,	,	PUNCT
eurjchem-2498	577	52	wallingford	wallingford	PROPN
eurjchem-2498	577	53	ct	ct	PROPN
eurjchem-2498	577	54	,	,	PUNCT
eurjchem-2498	577	55	2003	2003	NUM
eurjchem-2498	577	56	.	.	PUNCT
eurjchem-2498	578	1	[	[	X
eurjchem-2498	578	2	18	18	NUM
eurjchem-2498	578	3	]	]	PUNCT
eurjchem-2498	578	4	.	.	PUNCT
eurjchem-2498	578	5	koopmans	koopmans	PROPN
eurjchem-2498	578	6	,	,	PUNCT
eurjchem-2498	578	7	t.	t.	PROPN
eurjchem-2498	578	8	über	über	PROPN
eurjchem-2498	578	9	die	die	PROPN
eurjchem-2498	578	10	zuordnung	zuordnung	PROPN
eurjchem-2498	578	11	von	von	PROPN
eurjchem-2498	578	12	wellenfunktionen	wellenfunktionen	PROPN
eurjchem-2498	578	13	und	und	INTJ
eurjchem-2498	578	14	eigenwerten	eigenwerten	NOUN
eurjchem-2498	578	15	zu	zu	NUM
eurjchem-2498	578	16	den	den	PROPN
eurjchem-2498	578	17	einzelnen	einzelnen	PROPN
eurjchem-2498	578	18	elektronen	elektronen	NOUN
eurjchem-2498	578	19	eines	eine	VERB
eurjchem-2498	578	20	atoms	atom	NOUN
eurjchem-2498	578	21	.	.	PUNCT
eurjchem-2498	579	1	physica	physica	NOUN
eurjchem-2498	579	2	1934	1934	NUM
eurjchem-2498	579	3	,	,	PUNCT
eurjchem-2498	579	4	1	1	NUM
eurjchem-2498	579	5	,	,	PUNCT
eurjchem-2498	579	6	104–113	104–113	NUM
eurjchem-2498	579	7	.	.	PUNCT
eurjchem-2498	580	1	[	[	X
eurjchem-2498	580	2	19	19	NUM
eurjchem-2498	580	3	]	]	PUNCT
eurjchem-2498	580	4	.	.	PUNCT
eurjchem-2498	581	1	geerlings	geerling	NOUN
eurjchem-2498	581	2	,	,	PUNCT
eurjchem-2498	581	3	p.	p.	NOUN
eurjchem-2498	581	4	;	;	PUNCT
eurjchem-2498	581	5	de	de	PROPN
eurjchem-2498	581	6	proft	proft	PROPN
eurjchem-2498	581	7	,	,	PUNCT
eurjchem-2498	581	8	f.	f.	PROPN
eurjchem-2498	581	9	;	;	PUNCT
eurjchem-2498	581	10	langenaeker	langenaeker	PROPN
eurjchem-2498	581	11	,	,	PUNCT
eurjchem-2498	581	12	w.	w.	PROPN
eurjchem-2498	581	13	conceptual	conceptual	ADJ
eurjchem-2498	581	14	density	density	PROPN
eurjchem-2498	581	15	functional	functional	ADJ
eurjchem-2498	581	16	theory	theory	NOUN
eurjchem-2498	581	17	.	.	PUNCT
eurjchem-2498	582	1	chem	chem	PROPN
eurjchem-2498	582	2	.	.	PUNCT
eurjchem-2498	583	1	rev	rev	PROPN
eurjchem-2498	583	2	.	.	PROPN
eurjchem-2498	583	3	2003	2003	NUM
eurjchem-2498	583	4	,	,	PUNCT
eurjchem-2498	583	5	103	103	NUM
eurjchem-2498	583	6	,	,	PUNCT
eurjchem-2498	583	7	1793–1874	1793–1874	NUM
eurjchem-2498	583	8	.	.	PUNCT
eurjchem-2498	584	1	[	[	X
eurjchem-2498	584	2	20	20	NUM
eurjchem-2498	584	3	]	]	PUNCT
eurjchem-2498	584	4	.	.	PUNCT
eurjchem-2498	585	1	pearson	pearson	PROPN
eurjchem-2498	585	2	,	,	PUNCT
eurjchem-2498	585	3	r.	r.	PROPN
eurjchem-2498	585	4	g.	g.	PROPN
eurjchem-2498	586	1	recent	recent	ADJ
eurjchem-2498	586	2	advances	advance	NOUN
eurjchem-2498	586	3	in	in	ADP
eurjchem-2498	586	4	the	the	DET
eurjchem-2498	586	5	concept	concept	NOUN
eurjchem-2498	586	6	of	of	ADP
eurjchem-2498	586	7	hard	hard	ADJ
eurjchem-2498	586	8	and	and	CCONJ
eurjchem-2498	586	9	soft	soft	ADJ
eurjchem-2498	586	10	acids	acid	NOUN
eurjchem-2498	586	11	and	and	CCONJ
eurjchem-2498	586	12	bases	basis	NOUN
eurjchem-2498	586	13	.	.	PUNCT
eurjchem-2498	587	1	j.	j.	PROPN
eurjchem-2498	587	2	chem	chem	PROPN
eurjchem-2498	587	3	.	.	PUNCT
eurjchem-2498	588	1	educ	educ	PROPN
eurjchem-2498	588	2	.	.	PUNCT
eurjchem-2498	589	1	1987	1987	NUM
eurjchem-2498	589	2	,	,	PUNCT
eurjchem-2498	589	3	64	64	NUM
eurjchem-2498	589	4	,	,	PUNCT
eurjchem-2498	589	5	561–562	561–562	NUM
eurjchem-2498	589	6	.	.	PUNCT
eurjchem-2498	590	1	[	[	X
eurjchem-2498	590	2	21	21	NUM
eurjchem-2498	590	3	]	]	PUNCT
eurjchem-2498	590	4	.	.	PUNCT
eurjchem-2498	591	1	yang	yang	PROPN
eurjchem-2498	591	2	,	,	PUNCT
eurjchem-2498	591	3	w.	w.	PROPN
eurjchem-2498	591	4	;	;	PUNCT
eurjchem-2498	591	5	mortier	mortier	NOUN
eurjchem-2498	591	6	,	,	PUNCT
eurjchem-2498	591	7	w.	w.	PROPN
eurjchem-2498	591	8	j.	j.	PROPN
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eurjchem-2498	591	12	global	global	ADJ
eurjchem-2498	591	13	and	and	CCONJ
eurjchem-2498	591	14	local	local	ADJ
eurjchem-2498	591	15	molecular	molecular	ADJ
eurjchem-2498	591	16	parameters	parameter	NOUN
eurjchem-2498	591	17	for	for	ADP
eurjchem-2498	591	18	the	the	DET
eurjchem-2498	591	19	analysis	analysis	NOUN
eurjchem-2498	591	20	of	of	ADP
eurjchem-2498	591	21	the	the	DET
eurjchem-2498	591	22	gas	gas	NOUN
eurjchem-2498	591	23	-	-	PUNCT
eurjchem-2498	591	24	phase	phase	NOUN
eurjchem-2498	591	25	basicity	basicity	NOUN
eurjchem-2498	591	26	of	of	ADP
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eurjchem-2498	591	28	.	.	PUNCT
eurjchem-2498	592	1	j.	j.	PROPN
eurjchem-2498	592	2	am	am	PROPN
eurjchem-2498	592	3	.	.	PUNCT
eurjchem-2498	593	1	chem	chem	NOUN
eurjchem-2498	593	2	.	.	PUNCT
eurjchem-2498	594	1	soc	soc	PROPN
eurjchem-2498	594	2	.	.	PUNCT
eurjchem-2498	595	1	1986	1986	NUM
eurjchem-2498	595	2	,	,	PUNCT
eurjchem-2498	595	3	108	108	NUM
eurjchem-2498	595	4	,	,	PUNCT
eurjchem-2498	595	5	5708–5711	5708–5711	NUM
eurjchem-2498	595	6	.	.	PUNCT
eurjchem-2498	596	1	[	[	X
eurjchem-2498	596	2	22	22	NUM
eurjchem-2498	596	3	]	]	PUNCT
eurjchem-2498	596	4	.	.	PUNCT
eurjchem-2498	597	1	mulliken	mulliken	PROPN
eurjchem-2498	597	2	,	,	PUNCT
eurjchem-2498	597	3	r.	r.	PROPN
eurjchem-2498	597	4	s.	s.	PROPN
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eurjchem-2498	597	6	population	population	NOUN
eurjchem-2498	597	7	analysis	analysis	NOUN
eurjchem-2498	597	8	on	on	ADP
eurjchem-2498	597	9	lcao	lcao	NOUN
eurjchem-2498	597	10	-	-	PUNCT
eurjchem-2498	597	11	mo	mo	NOUN
eurjchem-2498	597	12	molecular	molecular	ADJ
eurjchem-2498	597	13	wave	wave	NOUN
eurjchem-2498	597	14	functions	function	NOUN
eurjchem-2498	597	15	.	.	PUNCT
eurjchem-2498	598	1	iii	iii	X
eurjchem-2498	598	2	.	.	PUNCT
eurjchem-2498	598	3	effects	effect	NOUN
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eurjchem-2498	598	5	hybridization	hybridization	NOUN
eurjchem-2498	598	6	on	on	ADP
eurjchem-2498	598	7	overlap	overlap	NOUN
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eurjchem-2498	598	9	gross	gross	ADJ
eurjchem-2498	598	10	ao	ao	PROPN
eurjchem-2498	598	11	populations	population	NOUN
eurjchem-2498	598	12	.	.	PUNCT
eurjchem-2498	599	1	j.	j.	PROPN
eurjchem-2498	599	2	chem	chem	PROPN
eurjchem-2498	599	3	.	.	PUNCT
eurjchem-2498	600	1	phys	phy	NOUN
eurjchem-2498	600	2	.	.	PUNCT
eurjchem-2498	601	1	1955	1955	NUM
eurjchem-2498	601	2	,	,	PUNCT
eurjchem-2498	601	3	23	23	NUM
eurjchem-2498	601	4	,	,	PUNCT
eurjchem-2498	601	5	2338–2342	2338–2342	NUM
eurjchem-2498	601	6	.	.	PUNCT
eurjchem-2498	602	1	[	[	X
eurjchem-2498	602	2	23	23	NUM
eurjchem-2498	602	3	]	]	PUNCT
eurjchem-2498	602	4	.	.	PUNCT
eurjchem-2498	603	1	portella	portella	PROPN
eurjchem-2498	603	2	,	,	PUNCT
eurjchem-2498	603	3	g.	g.	PROPN
eurjchem-2498	603	4	;	;	PUNCT
eurjchem-2498	603	5	poater	poater	PROPN
eurjchem-2498	603	6	,	,	PUNCT
eurjchem-2498	603	7	j.	j.	PROPN
eurjchem-2498	603	8	;	;	PUNCT
eurjchem-2498	603	9	solà	solà	ADJ
eurjchem-2498	603	10	,	,	PUNCT
eurjchem-2498	603	11	m.	m.	NOUN
eurjchem-2498	603	12	assessment	assessment	NOUN
eurjchem-2498	603	13	of	of	ADP
eurjchem-2498	603	14	clar	clar	PROPN
eurjchem-2498	603	15	’s	’s	PART
eurjchem-2498	603	16	aromatic	aromatic	ADJ
eurjchem-2498	603	17	π‐sextet	π‐sextet	PUNCT
eurjchem-2498	603	18	rule	rule	NOUN
eurjchem-2498	603	19	by	by	ADP
eurjchem-2498	603	20	means	mean	NOUN
eurjchem-2498	603	21	of	of	ADP
eurjchem-2498	603	22	pdi	pdi	NOUN
eurjchem-2498	603	23	,	,	PUNCT
eurjchem-2498	603	24	nics	nic	NOUN
eurjchem-2498	603	25	and	and	CCONJ
eurjchem-2498	603	26	homa	homa	NOUN
eurjchem-2498	603	27	indicators	indicator	NOUN
eurjchem-2498	603	28	of	of	ADP
eurjchem-2498	603	29	local	local	ADJ
eurjchem-2498	603	30	aromaticity	aromaticity	NOUN
eurjchem-2498	603	31	.	.	PUNCT
eurjchem-2498	604	1	j.	j.	PROPN
eurjchem-2498	604	2	phys	phys	PROPN
eurjchem-2498	604	3	.	.	PUNCT
eurjchem-2498	605	1	org	org	PROPN
eurjchem-2498	605	2	.	.	PUNCT
eurjchem-2498	605	3	chem	chem	PROPN
eurjchem-2498	605	4	.	.	PUNCT
eurjchem-2498	606	1	2005	2005	NUM
eurjchem-2498	606	2	,	,	PUNCT
eurjchem-2498	606	3	18	18	NUM
eurjchem-2498	606	4	,	,	PUNCT
eurjchem-2498	606	5	785–791	785–791	NUM
eurjchem-2498	606	6	.	.	PUNCT
eurjchem-2498	607	1	[	[	X
eurjchem-2498	607	2	24	24	NUM
eurjchem-2498	607	3	]	]	PUNCT
eurjchem-2498	607	4	.	.	PUNCT
eurjchem-2498	608	1	chen	chen	PROPN
eurjchem-2498	608	2	,	,	PUNCT
eurjchem-2498	608	3	z.	z.	PROPN
eurjchem-2498	608	4	;	;	PUNCT
eurjchem-2498	608	5	wannere	wannere	ADV
eurjchem-2498	608	6	,	,	PUNCT
eurjchem-2498	608	7	c.	c.	PROPN
eurjchem-2498	608	8	s.	s.	PROPN
eurjchem-2498	608	9	;	;	PUNCT
eurjchem-2498	608	10	corminboeuf	corminboeuf	NOUN
eurjchem-2498	608	11	,	,	PUNCT
eurjchem-2498	608	12	c.	c.	PROPN
eurjchem-2498	608	13	;	;	PUNCT
eurjchem-2498	608	14	puchta	puchta	PROPN
eurjchem-2498	608	15	,	,	PUNCT
eurjchem-2498	608	16	r.	r.	PROPN
eurjchem-2498	608	17	;	;	PUNCT
eurjchem-2498	608	18	schleyer	schleyer	PROPN
eurjchem-2498	608	19	,	,	PUNCT
eurjchem-2498	608	20	p.	p.	PROPN
eurjchem-2498	608	21	von	von	PROPN
eurjchem-2498	608	22	r.	r.	PROPN
eurjchem-2498	608	23	nucleus	nucleus	PROPN
eurjchem-2498	608	24	-	-	PUNCT
eurjchem-2498	608	25	independent	independent	ADJ
eurjchem-2498	608	26	chemical	chemical	ADJ
eurjchem-2498	608	27	shifts	shift	NOUN
eurjchem-2498	608	28	(	(	PUNCT
eurjchem-2498	608	29	nics	nic	NOUN
eurjchem-2498	608	30	)	)	PUNCT
eurjchem-2498	608	31	as	as	ADP
eurjchem-2498	608	32	an	an	DET
eurjchem-2498	608	33	aromaticity	aromaticity	NOUN
eurjchem-2498	608	34	criterion	criterion	NOUN
eurjchem-2498	608	35	.	.	PUNCT
eurjchem-2498	609	1	chem	chem	PROPN
eurjchem-2498	609	2	.	.	PUNCT
eurjchem-2498	610	1	rev	rev	PROPN
eurjchem-2498	610	2	.	.	PROPN
eurjchem-2498	610	3	2005	2005	NUM
eurjchem-2498	610	4	,	,	PUNCT
eurjchem-2498	610	5	105	105	NUM
eurjchem-2498	610	6	,	,	PUNCT
eurjchem-2498	610	7	3842–3888	3842–3888	NUM
eurjchem-2498	610	8	.	.	PUNCT
eurjchem-2498	611	1	[	[	X
eurjchem-2498	611	2	25	25	NUM
eurjchem-2498	611	3	]	]	PUNCT
eurjchem-2498	611	4	.	.	PUNCT
eurjchem-2498	611	5	piekarski	piekarski	PROPN
eurjchem-2498	611	6	,	,	PUNCT
eurjchem-2498	611	7	a.	a.	NOUN
eurjchem-2498	611	8	m.	m.	NOUN
eurjchem-2498	611	9	;	;	PUNCT
eurjchem-2498	611	10	mills	mill	NOUN
eurjchem-2498	611	11	,	,	PUNCT
eurjchem-2498	611	12	n.	n.	PROPN
eurjchem-2498	611	13	s.	s.	PROPN
eurjchem-2498	611	14	;	;	PUNCT
eurjchem-2498	611	15	yousef	yousef	PROPN
eurjchem-2498	611	16	,	,	PUNCT
eurjchem-2498	611	17	a.	a.	NOUN
eurjchem-2498	611	18	dianion	dianion	NOUN
eurjchem-2498	611	19	and	and	CCONJ
eurjchem-2498	611	20	dication	dication	NOUN
eurjchem-2498	611	21	of	of	ADP
eurjchem-2498	611	22	tetrabenzo[5.7]fulvalene	tetrabenzo[5.7]fulvalene	NOUN
eurjchem-2498	611	23	.	.	PUNCT
eurjchem-2498	612	1	greater	great	ADJ
eurjchem-2498	612	2	antiaromaticity	antiaromaticity	NOUN
eurjchem-2498	612	3	than	than	ADP
eurjchem-2498	612	4	aromaticity	aromaticity	NOUN
eurjchem-2498	612	5	in	in	ADP
eurjchem-2498	612	6	comparable	comparable	ADJ
eurjchem-2498	612	7	systems	system	NOUN
eurjchem-2498	612	8	.	.	PUNCT
eurjchem-2498	613	1	j.	j.	PROPN
eurjchem-2498	613	2	am	am	PROPN
eurjchem-2498	613	3	.	.	PUNCT
eurjchem-2498	614	1	chem	chem	NOUN
eurjchem-2498	614	2	.	.	PUNCT
eurjchem-2498	615	1	soc	soc	PROPN
eurjchem-2498	615	2	.	.	PUNCT
eurjchem-2498	616	1	2008	2008	NUM
eurjchem-2498	616	2	,	,	PUNCT
eurjchem-2498	616	3	130	130	NUM
eurjchem-2498	616	4	,	,	PUNCT
eurjchem-2498	616	5	14883–14890	14883–14890	NUM
eurjchem-2498	616	6	.	.	PUNCT
eurjchem-2498	617	1	[	[	X
eurjchem-2498	617	2	26	26	NUM
eurjchem-2498	617	3	]	]	PUNCT
eurjchem-2498	617	4	.	.	PUNCT
eurjchem-2498	618	1	zborowski	zborowski	PROPN
eurjchem-2498	618	2	,	,	PUNCT
eurjchem-2498	618	3	k.	k.	PROPN
eurjchem-2498	618	4	;	;	PUNCT
eurjchem-2498	618	5	proniewicz	proniewicz	NOUN
eurjchem-2498	618	6	,	,	PUNCT
eurjchem-2498	618	7	l.	l.	PROPN
eurjchem-2498	618	8	m.	m.	PROPN
eurjchem-2498	618	9	theoretical	theoretical	ADJ
eurjchem-2498	618	10	studies	study	NOUN
eurjchem-2498	618	11	on	on	ADP
eurjchem-2498	618	12	aromaticity	aromaticity	NOUN
eurjchem-2498	618	13	of	of	ADP
eurjchem-2498	618	14	selected	select	VERB
eurjchem-2498	618	15	hydroxypyrones	hydroxypyrone	NOUN
eurjchem-2498	618	16	and	and	CCONJ
eurjchem-2498	618	17	their	their	PRON
eurjchem-2498	618	18	cations	cation	NOUN
eurjchem-2498	618	19	and	and	CCONJ
eurjchem-2498	618	20	anions	anion	NOUN
eurjchem-2498	618	21	.	.	PUNCT
eurjchem-2498	619	1	part	part	NOUN
eurjchem-2498	619	2	2	2	NUM
eurjchem-2498	619	3	.	.	PUNCT
eurjchem-2498	619	4	electron	electron	NOUN
eurjchem-2498	619	5	delocalisation	delocalisation	NOUN
eurjchem-2498	619	6	in	in	ADP
eurjchem-2498	619	7	the	the	DET
eurjchem-2498	619	8	occo	occo	PROPN
eurjchem-2498	619	9	group	group	NOUN
eurjchem-2498	619	10	.	.	PUNCT
eurjchem-2498	620	1	j.	j.	PROPN
eurjchem-2498	620	2	phys	phys	PROPN
eurjchem-2498	620	3	.	.	PUNCT
eurjchem-2498	621	1	org	org	PROPN
eurjchem-2498	621	2	.	.	PUNCT
eurjchem-2498	621	3	chem	chem	PROPN
eurjchem-2498	621	4	.	.	PUNCT
eurjchem-2498	622	1	2008	2008	NUM
eurjchem-2498	622	2	,	,	PUNCT
eurjchem-2498	622	3	21	21	NUM
eurjchem-2498	622	4	,	,	PUNCT
eurjchem-2498	622	5	207–214	207–214	NUM
eurjchem-2498	622	6	.	.	PUNCT
eurjchem-2498	623	1	[	[	X
eurjchem-2498	623	2	27	27	NUM
eurjchem-2498	623	3	]	]	PUNCT
eurjchem-2498	623	4	.	.	PUNCT
eurjchem-2498	624	1	iqbal	iqbal	PROPN
eurjchem-2498	624	2	,	,	PUNCT
eurjchem-2498	624	3	p.	p.	PROPN
eurjchem-2498	624	4	;	;	PUNCT
eurjchem-2498	624	5	patel	patel	PROPN
eurjchem-2498	624	6	,	,	PUNCT
eurjchem-2498	624	7	d.	d.	PROPN
eurjchem-2498	624	8	s.	s.	PROPN
eurjchem-2498	624	9	;	;	PUNCT
eurjchem-2498	624	10	bharatam	bharatam	PROPN
eurjchem-2498	624	11	,	,	PUNCT
eurjchem-2498	624	12	p.	p.	NOUN
eurjchem-2498	624	13	v.	v.	CCONJ
eurjchem-2498	624	14	ab	ab	PROPN
eurjchem-2498	624	15	initio	initio	PROPN
eurjchem-2498	624	16	study	study	NOUN
eurjchem-2498	624	17	on	on	ADP
eurjchem-2498	624	18	n	n	CCONJ
eurjchem-2498	624	19	,	,	PUNCT
eurjchem-2498	624	20	n′,n″triaminoguanidine	n′,n″triaminoguanidine	NOUN
eurjchem-2498	624	21	.	.	PUNCT
eurjchem-2498	625	1	j.	j.	PROPN
eurjchem-2498	625	2	phys	phys	PROPN
eurjchem-2498	625	3	.	.	PUNCT
eurjchem-2498	626	1	org	org	PROPN
eurjchem-2498	626	2	.	.	PUNCT
eurjchem-2498	626	3	chem	chem	PROPN
eurjchem-2498	626	4	.	.	PUNCT
eurjchem-2498	627	1	2007	2007	NUM
eurjchem-2498	627	2	,	,	PUNCT
eurjchem-2498	627	3	20	20	NUM
eurjchem-2498	627	4	,	,	PUNCT
eurjchem-2498	627	5	1072–1080	1072–1080	NUM
eurjchem-2498	627	6	.	.	PUNCT
eurjchem-2498	628	1	[	[	X
eurjchem-2498	628	2	28	28	NUM
eurjchem-2498	628	3	]	]	PUNCT
eurjchem-2498	628	4	.	.	PUNCT
eurjchem-2498	629	1	jacquemin	jacquemin	PROPN
eurjchem-2498	629	2	,	,	PUNCT
eurjchem-2498	629	3	d.	d.	PROPN
eurjchem-2498	629	4	;	;	PUNCT
eurjchem-2498	629	5	andré	andré	VERB
eurjchem-2498	629	6	,	,	PUNCT
eurjchem-2498	629	7	j.-m	j.-m	PROPN
eurjchem-2498	629	8	.	.	PUNCT
eurjchem-2498	629	9	;	;	PUNCT
eurjchem-2498	629	10	perpète	perpète	PROPN
eurjchem-2498	629	11	,	,	PUNCT
eurjchem-2498	629	12	e.	e.	PROPN
eurjchem-2498	629	13	a.	a.	PROPN
eurjchem-2498	629	14	geometry	geometry	PROPN
eurjchem-2498	629	15	,	,	PUNCT
eurjchem-2498	629	16	dipole	dipole	NOUN
eurjchem-2498	629	17	moment	moment	NOUN
eurjchem-2498	629	18	,	,	PUNCT
eurjchem-2498	629	19	polarizability	polarizability	NOUN
eurjchem-2498	629	20	and	and	CCONJ
eurjchem-2498	629	21	first	first	ADJ
eurjchem-2498	629	22	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2498	629	23	of	of	ADP
eurjchem-2498	629	24	polymethineimine	polymethineimine	NOUN
eurjchem-2498	629	25	:	:	PUNCT
eurjchem-2498	629	26	an	an	DET
eurjchem-2498	629	27	assessment	assessment	NOUN
eurjchem-2498	629	28	of	of	ADP
eurjchem-2498	629	29	electron	electron	NOUN
eurjchem-2498	629	30	correlation	correlation	NOUN
eurjchem-2498	629	31	contributions	contribution	NOUN
eurjchem-2498	629	32	.	.	PUNCT
eurjchem-2498	630	1	j.	j.	PROPN
eurjchem-2498	630	2	chem	chem	PROPN
eurjchem-2498	630	3	.	.	PUNCT
eurjchem-2498	631	1	phys	phy	NOUN
eurjchem-2498	631	2	.	.	PUNCT
eurjchem-2498	632	1	2004	2004	NUM
eurjchem-2498	632	2	,	,	PUNCT
eurjchem-2498	632	3	121	121	NUM
eurjchem-2498	632	4	,	,	PUNCT
eurjchem-2498	632	5	4389–4396	4389–4396	NUM
eurjchem-2498	632	6	.	.	PUNCT
eurjchem-2498	633	1	[	[	X
eurjchem-2498	633	2	29	29	NUM
eurjchem-2498	633	3	]	]	PUNCT
eurjchem-2498	633	4	.	.	PUNCT
eurjchem-2498	634	1	zeitouny	zeitouny	PROPN
eurjchem-2498	634	2	,	,	PUNCT
eurjchem-2498	634	3	j.	j.	PROPN
eurjchem-2498	634	4	;	;	PUNCT
eurjchem-2498	634	5	aurisicchio	aurisicchio	PROPN
eurjchem-2498	634	6	,	,	PUNCT
eurjchem-2498	634	7	c.	c.	PROPN
eurjchem-2498	634	8	;	;	PUNCT
eurjchem-2498	634	9	bonifazi	bonifazi	NOUN
eurjchem-2498	634	10	,	,	PUNCT
eurjchem-2498	634	11	d.	d.	PROPN
eurjchem-2498	634	12	;	;	PUNCT
eurjchem-2498	634	13	de	de	X
eurjchem-2498	634	14	zorzi	zorzi	PROPN
eurjchem-2498	634	15	,	,	PUNCT
eurjchem-2498	634	16	r.	r.	PROPN
eurjchem-2498	634	17	;	;	PUNCT
eurjchem-2498	634	18	geremia	geremia	PROPN
eurjchem-2498	634	19	,	,	PUNCT
eurjchem-2498	634	20	s.	s.	PROPN
eurjchem-2498	634	21	;	;	PUNCT
eurjchem-2498	634	22	bonini	bonini	PROPN
eurjchem-2498	634	23	,	,	PUNCT
eurjchem-2498	634	24	m.	m.	NOUN
eurjchem-2498	634	25	;	;	PUNCT
eurjchem-2498	634	26	palma	palma	NOUN
eurjchem-2498	634	27	,	,	PUNCT
eurjchem-2498	634	28	c.-a	c.-a	PROPN
eurjchem-2498	634	29	.	.	PUNCT
eurjchem-2498	634	30	;	;	PUNCT
eurjchem-2498	634	31	samorì	samorì	PROPN
eurjchem-2498	634	32	,	,	PUNCT
eurjchem-2498	634	33	p.	p.	NOUN
eurjchem-2498	634	34	;	;	PUNCT
eurjchem-2498	634	35	listorti	listorti	PROPN
eurjchem-2498	634	36	,	,	PUNCT
eurjchem-2498	634	37	a.	a.	NOUN
eurjchem-2498	634	38	;	;	PUNCT
eurjchem-2498	634	39	belbakra	belbakra	NOUN
eurjchem-2498	634	40	,	,	PUNCT
eurjchem-2498	634	41	a.	a.	NOUN
eurjchem-2498	634	42	;	;	PUNCT
eurjchem-2498	634	43	armaroli	armaroli	PROPN
eurjchem-2498	634	44	,	,	PUNCT
eurjchem-2498	634	45	n.	n.	PROPN
eurjchem-2498	634	46	photoinduced	photoinduce	VERB
eurjchem-2498	634	47	structural	structural	ADJ
eurjchem-2498	634	48	modifications	modification	NOUN
eurjchem-2498	634	49	in	in	ADP
eurjchem-2498	634	50	multicomponent	multicomponent	NOUN
eurjchem-2498	634	51	architectures	architecture	NOUN
eurjchem-2498	634	52	containing	contain	VERB
eurjchem-2498	634	53	azobenzene	azobenzene	NOUN
eurjchem-2498	634	54	moieties	moiety	NOUN
eurjchem-2498	634	55	as	as	ADP
eurjchem-2498	634	56	photoswitchable	photoswitchable	ADJ
eurjchem-2498	634	57	cores	core	NOUN
eurjchem-2498	634	58	.	.	PUNCT
eurjchem-2498	635	1	j.	j.	PROPN
eurjchem-2498	635	2	mater	mater	PROPN
eurjchem-2498	635	3	.	.	PUNCT
eurjchem-2498	635	4	chem	chem	PROPN
eurjchem-2498	635	5	.	.	PUNCT
eurjchem-2498	636	1	2009	2009	NUM
eurjchem-2498	636	2	,	,	PUNCT
eurjchem-2498	636	3	19	19	NUM
eurjchem-2498	636	4	,	,	PUNCT
eurjchem-2498	636	5	4715–4724	4715–4724	NUM
eurjchem-2498	636	6	.	.	PUNCT
eurjchem-2498	637	1	[	[	X
eurjchem-2498	637	2	30	30	NUM
eurjchem-2498	637	3	]	]	PUNCT
eurjchem-2498	637	4	.	.	PUNCT
eurjchem-2498	638	1	langhals	langhal	NOUN
eurjchem-2498	638	2	,	,	PUNCT
eurjchem-2498	638	3	h.	h.	PROPN
eurjchem-2498	638	4	color	color	NOUN
eurjchem-2498	638	5	chemistry	chemistry	NOUN
eurjchem-2498	638	6	.	.	PUNCT
eurjchem-2498	639	1	synthesis	synthesis	NOUN
eurjchem-2498	639	2	,	,	PUNCT
eurjchem-2498	639	3	properties	property	NOUN
eurjchem-2498	639	4	and	and	CCONJ
eurjchem-2498	639	5	applications	application	NOUN
eurjchem-2498	639	6	of	of	ADP
eurjchem-2498	639	7	organic	organic	ADJ
eurjchem-2498	639	8	dyes	dye	NOUN
eurjchem-2498	639	9	and	and	CCONJ
eurjchem-2498	639	10	pigments	pigment	NOUN
eurjchem-2498	639	11	.	.	PUNCT
eurjchem-2498	640	1	3rd	3rd	ADJ
eurjchem-2498	640	2	revised	revise	VERB
eurjchem-2498	640	3	edition	edition	NOUN
eurjchem-2498	640	4	.	.	PUNCT
eurjchem-2498	641	1	by	by	ADP
eurjchem-2498	641	2	heinrich	heinrich	PROPN
eurjchem-2498	641	3	zollinger	zollinger	NOUN
eurjchem-2498	641	4	.	.	PUNCT
eurjchem-2498	642	1	angew	angew	PROPN
eurjchem-2498	642	2	.	.	PUNCT
eurjchem-2498	643	1	chem	chem	PROPN
eurjchem-2498	643	2	.	.	PUNCT
eurjchem-2498	644	1	int	int	NOUN
eurjchem-2498	644	2	.	.	PUNCT
eurjchem-2498	645	1	ed	ed	PROPN
eurjchem-2498	645	2	engl	engl	PROPN
eurjchem-2498	645	3	.	.	PUNCT
eurjchem-2498	646	1	2004	2004	NUM
eurjchem-2498	646	2	,	,	PUNCT
eurjchem-2498	646	3	43	43	NUM
eurjchem-2498	646	4	,	,	PUNCT
eurjchem-2498	646	5	5291–5292	5291–5292	NUM
eurjchem-2498	646	6	.	.	PUNCT
eurjchem-2498	647	1	[	[	X
eurjchem-2498	647	2	31	31	NUM
eurjchem-2498	647	3	]	]	PUNCT
eurjchem-2498	647	4	.	.	PUNCT
eurjchem-2498	648	1	datta	datta	PROPN
eurjchem-2498	648	2	,	,	PUNCT
eurjchem-2498	648	3	a.	a.	NOUN
eurjchem-2498	648	4	;	;	PUNCT
eurjchem-2498	648	5	sheu	sheu	PROPN
eurjchem-2498	648	6	,	,	PUNCT
eurjchem-2498	648	7	s.-c	s.-c	NOUN
eurjchem-2498	648	8	.	.	PUNCT
eurjchem-2498	648	9	;	;	PUNCT
eurjchem-2498	648	10	liu	liu	PROPN
eurjchem-2498	648	11	,	,	PUNCT
eurjchem-2498	648	12	p.-h	p.-h	PROPN
eurjchem-2498	648	13	.	.	PUNCT
eurjchem-2498	648	14	;	;	PUNCT
eurjchem-2498	648	15	huang	huang	PROPN
eurjchem-2498	648	16	,	,	PUNCT
eurjchem-2498	648	17	j.-h	j.-h	PROPN
eurjchem-2498	648	18	.	.	PUNCT
eurjchem-2498	649	1	dichloridon′-[(pyridin-2yl)methylidene	dichloridon′-[(pyridin-2yl)methylidene	ADJ
eurjchem-2498	649	2	-	-	PUNCT
eurjchem-2498	649	3	κn]acetohydrazide	κn]acetohydrazide	NOUN
eurjchem-2498	649	4	-	-	PUNCT
eurjchem-2498	649	5	κ2n′,ocopper(ii	κ2n′,ocopper(ii	NOUN
eurjchem-2498	649	6	)	)	PUNCT
eurjchem-2498	649	7	.	.	PUNCT
eurjchem-2498	650	1	acta	acta	PROPN
eurjchem-2498	650	2	crystallogr	crystallogr	PROPN
eurjchem-2498	650	3	.	.	PUNCT
eurjchem-2498	651	1	sect	sect	NOUN
eurjchem-2498	651	2	.	.	PUNCT
eurjchem-2498	652	1	e	e	NOUN
eurjchem-2498	652	2	struct	struct	NOUN
eurjchem-2498	652	3	.	.	PUNCT
eurjchem-2498	653	1	rep	rep	PROPN
eurjchem-2498	653	2	.	.	PROPN
eurjchem-2498	653	3	online	online	PROPN
eurjchem-2498	653	4	2011	2011	NUM
eurjchem-2498	653	5	,	,	PUNCT
eurjchem-2498	653	6	67	67	NUM
eurjchem-2498	653	7	,	,	PUNCT
eurjchem-2498	653	8	m1852	m1852	PROPN
eurjchem-2498	653	9	–	–	PUNCT
eurjchem-2498	653	10	m1852	m1852	NOUN
eurjchem-2498	653	11	.	.	PUNCT
eurjchem-2498	654	1	[	[	X
eurjchem-2498	654	2	32	32	NUM
eurjchem-2498	654	3	]	]	PUNCT
eurjchem-2498	654	4	.	.	PUNCT
eurjchem-2498	655	1	qian	qian	ADJ
eurjchem-2498	655	2	,	,	PUNCT
eurjchem-2498	655	3	h.-f	h.-f	NOUN
eurjchem-2498	655	4	.	.	PUNCT
eurjchem-2498	655	5	;	;	PUNCT
eurjchem-2498	655	6	tao	tao	PROPN
eurjchem-2498	655	7	,	,	PUNCT
eurjchem-2498	655	8	t.	t.	PROPN
eurjchem-2498	655	9	;	;	PUNCT
eurjchem-2498	655	10	feng	feng	PROPN
eurjchem-2498	655	11	,	,	PUNCT
eurjchem-2498	655	12	y.-n	y.-n	PROPN
eurjchem-2498	655	13	.	.	PUNCT
eurjchem-2498	655	14	;	;	PUNCT
eurjchem-2498	655	15	wang	wang	PROPN
eurjchem-2498	655	16	,	,	PUNCT
eurjchem-2498	655	17	y.-g	y.-g	PROPN
eurjchem-2498	655	18	.	.	PUNCT
eurjchem-2498	655	19	;	;	PUNCT
eurjchem-2498	655	20	huang	huang	PROPN
eurjchem-2498	655	21	,	,	PUNCT
eurjchem-2498	655	22	w.	w.	PROPN
eurjchem-2498	655	23	crystal	crystal	PROPN
eurjchem-2498	655	24	structures	structure	NOUN
eurjchem-2498	655	25	,	,	PUNCT
eurjchem-2498	655	26	solvatochromisms	solvatochromism	NOUN
eurjchem-2498	655	27	and	and	CCONJ
eurjchem-2498	655	28	dft	dft	NOUN
eurjchem-2498	655	29	computations	computation	NOUN
eurjchem-2498	655	30	of	of	ADP
eurjchem-2498	655	31	three	three	NUM
eurjchem-2498	655	32	disperse	disperse	ADJ
eurjchem-2498	655	33	azo	azo	NOUN
eurjchem-2498	655	34	dyes	dye	NOUN
eurjchem-2498	655	35	having	have	VERB
eurjchem-2498	655	36	the	the	DET
eurjchem-2498	655	37	same	same	ADJ
eurjchem-2498	655	38	azobenzene	azobenzene	NOUN
eurjchem-2498	655	39	skeleton	skeleton	NOUN
eurjchem-2498	655	40	.	.	PUNCT
eurjchem-2498	656	1	j.	j.	PROPN
eurjchem-2498	656	2	mol	mol	PROPN
eurjchem-2498	656	3	.	.	PROPN
eurjchem-2498	656	4	struct	struct	NOUN
eurjchem-2498	656	5	.	.	PUNCT
eurjchem-2498	657	1	2016	2016	NUM
eurjchem-2498	657	2	,	,	PUNCT
eurjchem-2498	657	3	1123	1123	NUM
eurjchem-2498	657	4	,	,	PUNCT
eurjchem-2498	657	5	305–310	305–310	NUM
eurjchem-2498	657	6	.	.	PUNCT
eurjchem-2498	658	1	[	[	X
eurjchem-2498	658	2	33	33	NUM
eurjchem-2498	658	3	]	]	PUNCT
eurjchem-2498	658	4	.	.	PUNCT
eurjchem-2498	659	1	kupka	kupka	PROPN
eurjchem-2498	659	2	,	,	PUNCT
eurjchem-2498	659	3	t.	t.	PROPN
eurjchem-2498	659	4	;	;	PUNCT
eurjchem-2498	659	5	buczek	buczek	PROPN
eurjchem-2498	659	6	,	,	PUNCT
eurjchem-2498	659	7	a.	a.	NOUN
eurjchem-2498	659	8	;	;	PUNCT
eurjchem-2498	659	9	broda	broda	PROPN
eurjchem-2498	659	10	,	,	PUNCT
eurjchem-2498	659	11	m.	m.	NOUN
eurjchem-2498	659	12	a.	a.	PROPN
eurjchem-2498	659	13	;	;	PUNCT
eurjchem-2498	659	14	stachów	stachów	NOUN
eurjchem-2498	659	15	,	,	PUNCT
eurjchem-2498	659	16	m.	m.	NOUN
eurjchem-2498	659	17	;	;	PUNCT
eurjchem-2498	659	18	tarnowski	tarnowski	PROPN
eurjchem-2498	659	19	,	,	PUNCT
eurjchem-2498	659	20	p.	p.	PROPN
eurjchem-2498	659	21	dft	dft	PROPN
eurjchem-2498	659	22	studies	study	NOUN
eurjchem-2498	659	23	on	on	ADP
eurjchem-2498	659	24	the	the	DET
eurjchem-2498	659	25	structural	structural	ADJ
eurjchem-2498	659	26	and	and	CCONJ
eurjchem-2498	659	27	vibrational	vibrational	ADJ
eurjchem-2498	659	28	properties	property	NOUN
eurjchem-2498	659	29	of	of	ADP
eurjchem-2498	659	30	polyenes	polyene	NOUN
eurjchem-2498	659	31	.	.	PUNCT
eurjchem-2498	660	1	j.	j.	PROPN
eurjchem-2498	660	2	mol	mol	PROPN
eurjchem-2498	660	3	.	.	PROPN
eurjchem-2498	660	4	model	model	PROPN
eurjchem-2498	660	5	.	.	PROPN
eurjchem-2498	661	1	2016	2016	NUM
eurjchem-2498	661	2	,	,	PUNCT
eurjchem-2498	661	3	22	22	NUM
eurjchem-2498	661	4	,	,	PUNCT
eurjchem-2498	661	5	101	101	NUM
eurjchem-2498	661	6	.	.	PUNCT
eurjchem-2498	662	1	[	[	X
eurjchem-2498	662	2	34	34	NUM
eurjchem-2498	662	3	]	]	PUNCT
eurjchem-2498	662	4	.	.	PUNCT
eurjchem-2498	663	1	teimouri	teimouri	PROPN
eurjchem-2498	663	2	,	,	PUNCT
eurjchem-2498	663	3	a.	a.	NOUN
eurjchem-2498	663	4	;	;	PUNCT
eurjchem-2498	663	5	chermahini	chermahini	PROPN
eurjchem-2498	663	6	,	,	PUNCT
eurjchem-2498	663	7	a.	a.	NOUN
eurjchem-2498	663	8	n.	n.	NOUN
eurjchem-2498	663	9	;	;	PUNCT
eurjchem-2498	663	10	emami	emami	NOUN
eurjchem-2498	663	11	,	,	PUNCT
eurjchem-2498	663	12	m.	m.	NOUN
eurjchem-2498	663	13	synthesis	synthesis	NOUN
eurjchem-2498	663	14	,	,	PUNCT
eurjchem-2498	663	15	characterization	characterization	NOUN
eurjchem-2498	663	16	,	,	PUNCT
eurjchem-2498	663	17	and	and	CCONJ
eurjchem-2498	663	18	dft	dft	PROPN
eurjchem-2498	663	19	studies	study	NOUN
eurjchem-2498	663	20	of	of	ADP
eurjchem-2498	663	21	a	a	DET
eurjchem-2498	663	22	novel	novel	ADJ
eurjchem-2498	663	23	azo	azo	NOUN
eurjchem-2498	663	24	dye	dye	NOUN
eurjchem-2498	663	25	derived	derive	VERB
eurjchem-2498	663	26	from	from	ADP
eurjchem-2498	663	27	racemic	racemic	ADJ
eurjchem-2498	663	28	or	or	CCONJ
eurjchem-2498	663	29	optically	optically	ADV
eurjchem-2498	663	30	active	active	ADJ
eurjchem-2498	663	31	binaphthol	binaphthol	NOUN
eurjchem-2498	663	32	.	.	PUNCT
eurjchem-2498	664	1	tetrahedron	tetrahedron	PROPN
eurjchem-2498	664	2	2008	2008	NUM
eurjchem-2498	664	3	,	,	PUNCT
eurjchem-2498	664	4	64	64	NUM
eurjchem-2498	664	5	,	,	PUNCT
eurjchem-2498	664	6	11776–11782	11776–11782	NUM
eurjchem-2498	664	7	.	.	PUNCT
eurjchem-2498	665	1	[	[	X
eurjchem-2498	665	2	35	35	NUM
eurjchem-2498	665	3	]	]	PUNCT
eurjchem-2498	665	4	.	.	PUNCT
eurjchem-2498	666	1	thomas	thomas	PROPN
eurjchem-2498	666	2	,	,	PUNCT
eurjchem-2498	666	3	k.	k.	PROPN
eurjchem-2498	666	4	r.	r.	PROPN
eurjchem-2498	666	5	j.	j.	PROPN
eurjchem-2498	666	6	;	;	PUNCT
eurjchem-2498	666	7	kapoor	kapoor	PROPN
eurjchem-2498	666	8	,	,	PUNCT
eurjchem-2498	666	9	n.	n.	PROPN
eurjchem-2498	666	10	;	;	PUNCT
eurjchem-2498	666	11	lee	lee	PROPN
eurjchem-2498	666	12	,	,	PUNCT
eurjchem-2498	666	13	c.-p	c.-p	PROPN
eurjchem-2498	666	14	.	.	PUNCT
eurjchem-2498	666	15	;	;	PUNCT
eurjchem-2498	666	16	ho	ho	PROPN
eurjchem-2498	666	17	,	,	PUNCT
eurjchem-2498	666	18	k.-c	k.-c	NOUN
eurjchem-2498	666	19	.	.	PUNCT
eurjchem-2498	667	1	organic	organic	ADJ
eurjchem-2498	667	2	dyes	dye	NOUN
eurjchem-2498	667	3	containing	contain	VERB
eurjchem-2498	667	4	pyrenylamine	pyrenylamine	NOUN
eurjchem-2498	667	5	-	-	PUNCT
eurjchem-2498	667	6	based	base	VERB
eurjchem-2498	667	7	cascade	cascade	NOUN
eurjchem-2498	667	8	donor	donor	NOUN
eurjchem-2498	667	9	systems	system	NOUN
eurjchem-2498	667	10	with	with	ADP
eurjchem-2498	667	11	different	different	ADJ
eurjchem-2498	667	12	aromatic	aromatic	ADJ
eurjchem-2498	667	13	π	π	NOUN
eurjchem-2498	667	14	linkers	linker	NOUN
eurjchem-2498	667	15	for	for	ADP
eurjchem-2498	667	16	dye	dye	NOUN
eurjchem-2498	667	17	-	-	PUNCT
eurjchem-2498	667	18	sensitized	sensitize	VERB
eurjchem-2498	667	19	solar	solar	ADJ
eurjchem-2498	667	20	cells	cell	NOUN
eurjchem-2498	667	21	:	:	PUNCT
eurjchem-2498	667	22	optical	optical	ADJ
eurjchem-2498	667	23	,	,	PUNCT
eurjchem-2498	667	24	electrochemical	electrochemical	ADJ
eurjchem-2498	667	25	,	,	PUNCT
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eurjchem-2498	667	27	device	device	NOUN
eurjchem-2498	667	28	characteristics	characteristic	NOUN
eurjchem-2498	667	29	.	.	PUNCT
eurjchem-2498	668	1	chem	chem	NOUN
eurjchem-2498	668	2	.	.	PUNCT
eurjchem-2498	669	1	asian	asian	PROPN
eurjchem-2498	669	2	j.	j.	PROPN
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eurjchem-2498	669	4	,	,	PUNCT
eurjchem-2498	669	5	7	7	NUM
eurjchem-2498	669	6	,	,	PUNCT
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eurjchem-2498	669	8	.	.	PUNCT
eurjchem-2498	670	1	[	[	X
eurjchem-2498	670	2	36	36	NUM
eurjchem-2498	670	3	]	]	PUNCT
eurjchem-2498	670	4	.	.	PUNCT
eurjchem-2498	671	1	yıldırım	yıldırım	PROPN
eurjchem-2498	671	2	,	,	PUNCT
eurjchem-2498	671	3	a.	a.	PROPN
eurjchem-2498	671	4	ö.	ö.	PROPN
eurjchem-2498	671	5	;	;	PUNCT
eurjchem-2498	671	6	yıldırım	yıldırım	PROPN
eurjchem-2498	671	7	,	,	PUNCT
eurjchem-2498	671	8	m.	m.	PROPN
eurjchem-2498	671	9	h.	h.	PROPN
eurjchem-2498	671	10	;	;	PUNCT
eurjchem-2498	671	11	kaştaş	kaştaş	NOUN
eurjchem-2498	671	12	,	,	PUNCT
eurjchem-2498	671	13	ç	ç	X
eurjchem-2498	671	14	.	.	PUNCT
eurjchem-2498	671	15	a.	a.	NOUN
eurjchem-2498	671	16	studies	study	NOUN
eurjchem-2498	671	17	on	on	ADP
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eurjchem-2498	671	20	,	,	PUNCT
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eurjchem-2498	671	23	and	and	CCONJ
eurjchem-2498	671	24	dft	dft	NOUN
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eurjchem-2498	671	26	on	on	ADP
eurjchem-2498	671	27	(	(	PUNCT
eurjchem-2498	671	28	e)-4,6	e)-4,6	NOUN
eurjchem-2498	671	29	-	-	PUNCT
eurjchem-2498	671	30	dichloro-2[(2	dichloro-2[(2	NOUN
eurjchem-2498	671	31	-	-	PUNCT
eurjchem-2498	671	32	chlorophenylimino)methyl]-3methoxyphenol	chlorophenylimino)methyl]-3methoxyphenol	NOUN
eurjchem-2498	671	33	as	as	ADP
eurjchem-2498	671	34	a	a	DET
eurjchem-2498	671	35	novel	novel	ADJ
eurjchem-2498	671	36	schiff	schiff	NOUN
eurjchem-2498	671	37	’s	’s	PART
eurjchem-2498	671	38	base	base	NOUN
eurjchem-2498	671	39	.	.	PUNCT
eurjchem-2498	672	1	j.	j.	PROPN
eurjchem-2498	672	2	mol	mol	PROPN
eurjchem-2498	672	3	.	.	PROPN
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eurjchem-2498	672	5	.	.	PUNCT
eurjchem-2498	673	1	2016	2016	NUM
eurjchem-2498	673	2	,	,	PUNCT
eurjchem-2498	673	3	1113	1113	NUM
eurjchem-2498	673	4	,	,	PUNCT
eurjchem-2498	673	5	1–8	1–8	X
eurjchem-2498	673	6	.	.	PUNCT
eurjchem-2498	674	1	[	[	X
eurjchem-2498	674	2	37	37	NUM
eurjchem-2498	674	3	]	]	PUNCT
eurjchem-2498	674	4	.	.	PUNCT
eurjchem-2498	675	1	monajjemi	monajjemi	NOUN
eurjchem-2498	675	2	,	,	PUNCT
eurjchem-2498	675	3	m.	m.	NOUN
eurjchem-2498	675	4	;	;	PUNCT
eurjchem-2498	675	5	nouri	nouri	PROPN
eurjchem-2498	675	6	,	,	PUNCT
eurjchem-2498	675	7	a.	a.	NOUN
eurjchem-2498	675	8	;	;	PUNCT
eurjchem-2498	675	9	monajemi	monajemi	PROPN
eurjchem-2498	675	10	,	,	PUNCT
eurjchem-2498	675	11	h.	h.	PROPN
eurjchem-2498	675	12	qm	qm	PROPN
eurjchem-2498	675	13	and	and	CCONJ
eurjchem-2498	675	14	ab	ab	PROPN
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eurjchem-2498	675	17	on	on	ADP
eurjchem-2498	675	18	the	the	DET
eurjchem-2498	675	19	hydrogen	hydrogen	NOUN
eurjchem-2498	675	20	bonding	bonding	NOUN
eurjchem-2498	675	21	,	,	PUNCT
eurjchem-2498	675	22	nmr	nmr	NOUN
eurjchem-2498	675	23	chemical	chemical	NOUN
eurjchem-2498	675	24	shifts	shift	NOUN
eurjchem-2498	675	25	and	and	CCONJ
eurjchem-2498	675	26	solvent	solvent	ADJ
eurjchem-2498	675	27	effects	effect	NOUN
eurjchem-2498	675	28	on	on	ADP
eurjchem-2498	675	29	the	the	DET
eurjchem-2498	675	30	dppe	dppe	NOUN
eurjchem-2498	675	31	.	.	PUNCT
eurjchem-2498	676	1	indones	indone	NOUN
eurjchem-2498	676	2	.	.	PUNCT
eurjchem-2498	677	1	j.	j.	PROPN
eurjchem-2498	677	2	chem	chem	PROPN
eurjchem-2498	677	3	.	.	PUNCT
eurjchem-2498	678	1	2010	2010	NUM
eurjchem-2498	678	2	,	,	PUNCT
eurjchem-2498	678	3	7	7	NUM
eurjchem-2498	678	4	,	,	PUNCT
eurjchem-2498	678	5	260–272	260–272	NUM
eurjchem-2498	678	6	.	.	PUNCT
eurjchem-2498	679	1	[	[	X
eurjchem-2498	679	2	38	38	NUM
eurjchem-2498	679	3	]	]	PUNCT
eurjchem-2498	679	4	.	.	PUNCT
eurjchem-2498	680	1	targema	targema	PROPN
eurjchem-2498	680	2	,	,	PUNCT
eurjchem-2498	680	3	m.	m.	NOUN
eurjchem-2498	680	4	;	;	PUNCT
eurjchem-2498	680	5	obi	obi	PROPN
eurjchem-2498	680	6	-	-	PUNCT
eurjchem-2498	680	7	egbedi	egbedi	PROPN
eurjchem-2498	680	8	,	,	PUNCT
eurjchem-2498	680	9	n.	n.	PROPN
eurjchem-2498	680	10	o.	o.	PROPN
eurjchem-2498	680	11	;	;	PUNCT
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eurjchem-2498	680	13	,	,	PUNCT
eurjchem-2498	680	14	m.	m.	PROPN
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eurjchem-2498	680	18	and	and	CCONJ
eurjchem-2498	680	19	solvent	solvent	ADJ
eurjchem-2498	680	20	effects	effect	NOUN
eurjchem-2498	680	21	on	on	ADP
eurjchem-2498	680	22	the	the	DET
eurjchem-2498	680	23	dipole	dipole	NOUN
eurjchem-2498	680	24	moments	moment	NOUN
eurjchem-2498	680	25	and	and	CCONJ
eurjchem-2498	680	26	polarizabilities	polarizabilitie	NOUN
eurjchem-2498	680	27	of	of	ADP
eurjchem-2498	680	28	some	some	DET
eurjchem-2498	680	29	aniline	aniline	ADJ
eurjchem-2498	680	30	derivatives	derivative	NOUN
eurjchem-2498	680	31	.	.	PUNCT
eurjchem-2498	681	1	comput	comput	NOUN
eurjchem-2498	681	2	.	.	PUNCT
eurjchem-2498	682	1	theor	theor	PROPN
eurjchem-2498	682	2	.	.	PUNCT
eurjchem-2498	682	3	chem	chem	PROPN
eurjchem-2498	682	4	.	.	PUNCT
eurjchem-2498	683	1	2013	2013	NUM
eurjchem-2498	683	2	,	,	PUNCT
eurjchem-2498	683	3	1012	1012	NUM
eurjchem-2498	683	4	,	,	PUNCT
eurjchem-2498	683	5	47–53	47–53	NUM
eurjchem-2498	683	6	.	.	PUNCT
eurjchem-2498	684	1	[	[	X
eurjchem-2498	684	2	39	39	NUM
eurjchem-2498	684	3	]	]	PUNCT
eurjchem-2498	684	4	.	.	PUNCT
eurjchem-2498	685	1	oyeneyin	oyeneyin	PROPN
eurjchem-2498	685	2	,	,	PUNCT
eurjchem-2498	685	3	o.	o.	PROPN
eurjchem-2498	685	4	e.	e.	PROPN
eurjchem-2498	685	5	;	;	PUNCT
eurjchem-2498	685	6	adejoro	adejoro	PROPN
eurjchem-2498	685	7	,	,	PUNCT
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eurjchem-2498	685	9	a.	a.	PROPN
eurjchem-2498	685	10	;	;	PUNCT
eurjchem-2498	685	11	ogunyemi	ogunyemi	PROPN
eurjchem-2498	685	12	,	,	PUNCT
eurjchem-2498	685	13	b.	b.	PROPN
eurjchem-2498	685	14	t.	t.	PROPN
eurjchem-2498	685	15	;	;	PUNCT
eurjchem-2498	686	1	esan	esan	PROPN
eurjchem-2498	686	2	,	,	PUNCT
eurjchem-2498	686	3	o.	o.	PROPN
eurjchem-2498	686	4	t.	t.	PROPN
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eurjchem-2498	686	6	and	and	CCONJ
eurjchem-2498	686	7	solvent	solvent	ADJ
eurjchem-2498	686	8	dependence	dependence	NOUN
eurjchem-2498	686	9	on	on	ADP
eurjchem-2498	686	10	the	the	DET
eurjchem-2498	686	11	molecular	molecular	ADJ
eurjchem-2498	686	12	and	and	CCONJ
eurjchem-2498	686	13	nonlinear	nonlinear	ADJ
eurjchem-2498	686	14	optical	optical	ADJ
eurjchem-2498	686	15	properties	property	NOUN
eurjchem-2498	686	16	of	of	ADP
eurjchem-2498	686	17	10	10	NUM
eurjchem-2498	686	18	-	-	PUNCT
eurjchem-2498	686	19	octyl	octyl	NOUN
eurjchem-2498	686	20	thiophene	thiophene	NOUN
eurjchem-2498	686	21	-	-	PUNCT
eurjchem-2498	686	22	based	base	VERB
eurjchem-2498	686	23	phenothiazine	phenothiazine	NOUN
eurjchem-2498	686	24	and	and	CCONJ
eurjchem-2498	686	25	substituted	substitute	VERB
eurjchem-2498	686	26	derivatives	derivative	NOUN
eurjchem-2498	686	27	–	–	PUNCT
eurjchem-2498	686	28	a	a	DET
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eurjchem-2498	686	31	.	.	PUNCT
eurjchem-2498	687	1	j.	j.	PROPN
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eurjchem-2498	687	4	.	.	PUNCT
eurjchem-2498	688	1	sci	sci	PROPN
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eurjchem-2498	688	3	,	,	PUNCT
eurjchem-2498	688	4	12	12	NUM
eurjchem-2498	688	5	,	,	PUNCT
eurjchem-2498	688	6	483–493	483–493	NUM
eurjchem-2498	688	7	.	.	PUNCT
eurjchem-2498	689	1	[	[	X
eurjchem-2498	689	2	40	40	NUM
eurjchem-2498	689	3	]	]	PUNCT
eurjchem-2498	689	4	.	.	PUNCT
eurjchem-2498	690	1	omer	omer	PROPN
eurjchem-2498	690	2	,	,	PUNCT
eurjchem-2498	690	3	r.	r.	PROPN
eurjchem-2498	690	4	;	;	PUNCT
eurjchem-2498	690	5	koparir	koparir	NOUN
eurjchem-2498	690	6	,	,	PUNCT
eurjchem-2498	690	7	p.	p.	PROPN
eurjchem-2498	690	8	;	;	PUNCT
eurjchem-2498	690	9	ahmed	ahmed	PROPN
eurjchem-2498	690	10	,	,	PUNCT
eurjchem-2498	690	11	l.	l.	PROPN
eurjchem-2498	690	12	;	;	PUNCT
eurjchem-2498	690	13	koparir	koparir	PROPN
eurjchem-2498	690	14	,	,	PUNCT
eurjchem-2498	690	15	m.	m.	NOUN
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eurjchem-2498	690	17	determination	determination	NOUN
eurjchem-2498	690	18	the	the	DET
eurjchem-2498	690	19	reactivity	reactivity	NOUN
eurjchem-2498	690	20	of	of	ADP
eurjchem-2498	690	21	salbutamol	salbutamol	NOUN
eurjchem-2498	690	22	and	and	CCONJ
eurjchem-2498	690	23	propranolol	propranolol	NOUN
eurjchem-2498	690	24	drugs	drug	NOUN
eurjchem-2498	690	25	.	.	PUNCT
eurjchem-2498	691	1	turkish	turkish	ADJ
eurjchem-2498	691	2	computational	computational	ADJ
eurjchem-2498	691	3	and	and	CCONJ
eurjchem-2498	691	4	theoretical	theoretical	ADJ
eurjchem-2498	691	5	chemistry	chemistry	NOUN
eurjchem-2498	691	6	2020	2020	NUM
eurjchem-2498	691	7	,	,	PUNCT
eurjchem-2498	691	8	4	4	NUM
eurjchem-2498	691	9	,	,	PUNCT
eurjchem-2498	691	10	67–75	67–75	NUM
eurjchem-2498	691	11	.	.	PUNCT
eurjchem-2498	692	1	[	[	X
eurjchem-2498	692	2	41	41	NUM
eurjchem-2498	692	3	]	]	PUNCT
eurjchem-2498	692	4	.	.	PUNCT
eurjchem-2498	693	1	sıdır	sıdır	PROPN
eurjchem-2498	693	2	,	,	PUNCT
eurjchem-2498	693	3	i̇.	i̇.	PROPN
eurjchem-2498	693	4	;	;	PUNCT
eurjchem-2498	693	5	sıdır	sıdır	NOUN
eurjchem-2498	693	6	,	,	PUNCT
eurjchem-2498	693	7	y.	y.	PROPN
eurjchem-2498	693	8	g.	g.	PROPN
eurjchem-2498	693	9	;	;	PUNCT
eurjchem-2498	693	10	kumalar	kumalar	PROPN
eurjchem-2498	693	11	,	,	PUNCT
eurjchem-2498	693	12	m.	m.	NOUN
eurjchem-2498	693	13	;	;	PUNCT
eurjchem-2498	693	14	taşal	taşal	PROPN
eurjchem-2498	693	15	,	,	PUNCT
eurjchem-2498	693	16	e.	e.	PROPN
eurjchem-2498	693	17	ab	ab	PROPN
eurjchem-2498	693	18	initio	initio	PROPN
eurjchem-2498	693	19	hartree	hartree	PROPN
eurjchem-2498	693	20	–	–	PUNCT
eurjchem-2498	693	21	fock	fock	ADJ
eurjchem-2498	693	22	and	and	CCONJ
eurjchem-2498	693	23	density	density	NOUN
eurjchem-2498	693	24	functional	functional	ADJ
eurjchem-2498	693	25	theory	theory	NOUN
eurjchem-2498	693	26	investigations	investigation	NOUN
eurjchem-2498	693	27	on	on	ADP
eurjchem-2498	693	28	the	the	DET
eurjchem-2498	693	29	conformational	conformational	ADJ
eurjchem-2498	693	30	stability	stability	NOUN
eurjchem-2498	693	31	,	,	PUNCT
eurjchem-2498	693	32	molecular	molecular	ADJ
eurjchem-2498	693	33	structure	structure	NOUN
eurjchem-2498	693	34	and	and	CCONJ
eurjchem-2498	693	35	vibrational	vibrational	ADJ
eurjchem-2498	693	36	spectra	spectra	NOUN
eurjchem-2498	693	37	of	of	ADP
eurjchem-2498	693	38	7	7	NUM
eurjchem-2498	693	39	-	-	PUNCT
eurjchem-2498	693	40	acetoxy-6(2,3	acetoxy-6(2,3	ADJ
eurjchem-2498	693	41	-	-	PUNCT
eurjchem-2498	693	42	dibromopropyl)-4,8	dibromopropyl)-4,8	ADJ
eurjchem-2498	693	43	-	-	PUNCT
eurjchem-2498	693	44	dimethylcoumarin	dimethylcoumarin	NOUN
eurjchem-2498	693	45	molecule	molecule	NOUN
eurjchem-2498	693	46	.	.	PUNCT
eurjchem-2498	694	1	j.	j.	PROPN
eurjchem-2498	694	2	mol	mol	PROPN
eurjchem-2498	694	3	.	.	PROPN
eurjchem-2498	694	4	struct	struct	NOUN
eurjchem-2498	694	5	.	.	PUNCT
eurjchem-2498	695	1	2010	2010	NUM
eurjchem-2498	695	2	,	,	PUNCT
eurjchem-2498	695	3	964	964	NUM
eurjchem-2498	695	4	,	,	PUNCT
eurjchem-2498	695	5	134–151	134–151	NUM
eurjchem-2498	695	6	.	.	PUNCT
eurjchem-2498	696	1	[	[	X
eurjchem-2498	696	2	42	42	NUM
eurjchem-2498	696	3	]	]	PUNCT
eurjchem-2498	696	4	.	.	PUNCT
eurjchem-2498	697	1	arivazhagan	arivazhagan	PROPN
eurjchem-2498	697	2	,	,	PUNCT
eurjchem-2498	697	3	m.	m.	NOUN
eurjchem-2498	697	4	;	;	PUNCT
eurjchem-2498	697	5	manivel	manivel	PROPN
eurjchem-2498	697	6	,	,	PUNCT
eurjchem-2498	697	7	s.	s.	PROPN
eurjchem-2498	697	8	;	;	PUNCT
eurjchem-2498	697	9	jeyavijayan	jeyavijayan	PROPN
eurjchem-2498	697	10	,	,	PUNCT
eurjchem-2498	697	11	s.	s.	PROPN
eurjchem-2498	697	12	;	;	PUNCT
eurjchem-2498	697	13	meenakshi	meenakshi	PROPN
eurjchem-2498	697	14	,	,	PUNCT
eurjchem-2498	697	15	r.	r.	PROPN
eurjchem-2498	697	16	vibrational	vibrational	PROPN
eurjchem-2498	697	17	spectroscopic	spectroscopic	NOUN
eurjchem-2498	697	18	(	(	PUNCT
eurjchem-2498	697	19	ftir	ftir	NOUN
eurjchem-2498	697	20	and	and	CCONJ
eurjchem-2498	697	21	ft	ft	NOUN
eurjchem-2498	697	22	-	-	PUNCT
eurjchem-2498	697	23	raman	raman	NOUN
eurjchem-2498	697	24	)	)	PUNCT
eurjchem-2498	697	25	,	,	PUNCT
eurjchem-2498	697	26	first	first	ADJ
eurjchem-2498	697	27	-	-	PUNCT
eurjchem-2498	697	28	order	order	NOUN
eurjchem-2498	697	29	hyperpolarizablity	hyperpolarizablity	NOUN
eurjchem-2498	697	30	,	,	PUNCT
eurjchem-2498	697	31	homo	homo	NOUN
eurjchem-2498	697	32	,	,	PUNCT
eurjchem-2498	697	33	lumo	lumo	NOUN
eurjchem-2498	697	34	,	,	PUNCT
eurjchem-2498	697	35	nbo	nbo	PROPN
eurjchem-2498	697	36	,	,	PUNCT
eurjchem-2498	697	37	mulliken	mulliken	NOUN
eurjchem-2498	697	38	charge	charge	NOUN
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eurjchem-2498	697	40	of	of	ADP
eurjchem-2498	697	41	2	2	NUM
eurjchem-2498	697	42	-	-	PUNCT
eurjchem-2498	697	43	ethylimidazole	ethylimidazole	NOUN
eurjchem-2498	697	44	based	base	VERB
eurjchem-2498	697	45	on	on	ADP
eurjchem-2498	697	46	hartree	hartree	ADJ
eurjchem-2498	697	47	–	–	PUNCT
eurjchem-2498	697	48	fock	fock	ADJ
eurjchem-2498	697	49	and	and	CCONJ
eurjchem-2498	697	50	dft	dft	PROPN
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eurjchem-2498	697	52	.	.	PUNCT
eurjchem-2498	698	1	spectrochim	spectrochim	PROPN
eurjchem-2498	698	2	.	.	PUNCT
eurjchem-2498	699	1	acta	acta	PROPN
eurjchem-2498	699	2	a	a	DET
eurjchem-2498	699	3	mol	mol	PROPN
eurjchem-2498	699	4	.	.	PROPN
eurjchem-2498	699	5	biomol	biomol	PROPN
eurjchem-2498	699	6	.	.	PUNCT
eurjchem-2498	700	1	spectrosc	spectrosc	PROPN
eurjchem-2498	700	2	.	.	PUNCT
eurjchem-2498	701	1	2015	2015	NUM
eurjchem-2498	701	2	,	,	PUNCT
eurjchem-2498	701	3	134	134	NUM
eurjchem-2498	701	4	,	,	PUNCT
eurjchem-2498	701	5	493–501	493–501	NUM
eurjchem-2498	701	6	.	.	PUNCT
eurjchem-2498	702	1	[	[	X
eurjchem-2498	702	2	43	43	NUM
eurjchem-2498	702	3	]	]	PUNCT
eurjchem-2498	702	4	.	.	PUNCT
eurjchem-2498	703	1	demircioğlu	demircioğlu	PROPN
eurjchem-2498	703	2	,	,	PUNCT
eurjchem-2498	703	3	z.	z.	PROPN
eurjchem-2498	703	4	;	;	PUNCT
eurjchem-2498	703	5	kaştaş	kaştaş	NOUN
eurjchem-2498	703	6	,	,	PUNCT
eurjchem-2498	703	7	ç	ç	X
eurjchem-2498	703	8	.	.	X
eurjchem-2498	703	9	a.	a.	NOUN
eurjchem-2498	703	10	;	;	PUNCT
eurjchem-2498	703	11	büyükgüngör	büyükgüngör	ADV
eurjchem-2498	703	12	,	,	PUNCT
eurjchem-2498	703	13	o.	o.	PROPN
eurjchem-2498	703	14	theoretical	theoretical	ADJ
eurjchem-2498	703	15	analysis	analysis	NOUN
eurjchem-2498	703	16	(	(	PUNCT
eurjchem-2498	703	17	nbo	nbo	INTJ
eurjchem-2498	703	18	,	,	PUNCT
eurjchem-2498	703	19	npa	npa	PROPN
eurjchem-2498	703	20	,	,	PUNCT
eurjchem-2498	703	21	mulliken	mulliken	ADJ
eurjchem-2498	703	22	population	population	NOUN
eurjchem-2498	703	23	method	method	NOUN
eurjchem-2498	703	24	)	)	PUNCT
eurjchem-2498	703	25	and	and	CCONJ
eurjchem-2498	703	26	molecular	molecular	ADJ
eurjchem-2498	703	27	orbital	orbital	ADJ
eurjchem-2498	703	28	studies	study	NOUN
eurjchem-2498	703	29	(	(	PUNCT
eurjchem-2498	703	30	hardness	hardness	INTJ
eurjchem-2498	703	31	,	,	PUNCT
eurjchem-2498	703	32	chemical	chemical	NOUN
eurjchem-2498	703	33	potential	potential	NOUN
eurjchem-2498	703	34	,	,	PUNCT
eurjchem-2498	703	35	electrophilicity	electrophilicity	NOUN
eurjchem-2498	703	36	and	and	CCONJ
eurjchem-2498	703	37	fukui	fukui	PROPN
eurjchem-2498	703	38	function	function	PROPN
eurjchem-2498	703	39	analysis	analysis	NOUN
eurjchem-2498	703	40	)	)	PUNCT
eurjchem-2498	703	41	of	of	ADP
eurjchem-2498	703	42	(	(	PUNCT
eurjchem-2498	703	43	e)-2-((4	e)-2-((4	PROPN
eurjchem-2498	703	44	-	-	PUNCT
eurjchem-2498	703	45	hydroxy-2	hydroxy-2	NOUN
eurjchem-2498	703	46	-	-	PUNCT
eurjchem-2498	703	47	methylphenylimino	methylphenylimino	NOUN
eurjchem-2498	703	48	)	)	PUNCT
eurjchem-2498	703	49	methyl)-3	methyl)-3	PROPN
eurjchem-2498	703	50	-	-	PUNCT
eurjchem-2498	703	51	methoxyphenol	methoxyphenol	NOUN
eurjchem-2498	703	52	.	.	PUNCT
eurjchem-2498	704	1	j.	j.	PROPN
eurjchem-2498	704	2	mol	mol	PROPN
eurjchem-2498	704	3	.	.	PROPN
eurjchem-2498	704	4	struct	struct	NOUN
eurjchem-2498	704	5	.	.	PUNCT
eurjchem-2498	705	1	2015	2015	NUM
eurjchem-2498	705	2	,	,	PUNCT
eurjchem-2498	705	3	1091	1091	NUM
eurjchem-2498	705	4	,	,	PUNCT
eurjchem-2498	705	5	183–195	183–195	NUM
eurjchem-2498	705	6	.	.	PUNCT
eurjchem-2498	706	1	[	[	X
eurjchem-2498	706	2	44	44	NUM
eurjchem-2498	706	3	]	]	PUNCT
eurjchem-2498	706	4	.	.	PUNCT
eurjchem-2498	707	1	chocholoušová	chocholoušová	PROPN
eurjchem-2498	707	2	,	,	PUNCT
eurjchem-2498	707	3	j.	j.	PROPN
eurjchem-2498	707	4	;	;	PUNCT
eurjchem-2498	707	5	špirko	špirko	PROPN
eurjchem-2498	707	6	,	,	PUNCT
eurjchem-2498	707	7	v.	v.	ADV
eurjchem-2498	707	8	;	;	PUNCT
eurjchem-2498	707	9	hobza	hobza	PROPN
eurjchem-2498	707	10	,	,	PUNCT
eurjchem-2498	707	11	p.	p.	NOUN
eurjchem-2498	707	12	first	first	ADJ
eurjchem-2498	707	13	local	local	ADJ
eurjchem-2498	707	14	minimum	minimum	NOUN
eurjchem-2498	707	15	of	of	ADP
eurjchem-2498	707	16	the	the	DET
eurjchem-2498	707	17	formic	formic	PROPN
eurjchem-2498	707	18	acid	acid	PROPN
eurjchem-2498	707	19	dimer	dimer	NOUN
eurjchem-2498	707	20	exhibits	exhibit	VERB
eurjchem-2498	707	21	simultaneously	simultaneously	ADV
eurjchem-2498	707	22	red	red	ADJ
eurjchem-2498	707	23	-	-	PUNCT
eurjchem-2498	707	24	shifted	shift	VERB
eurjchem-2498	707	25	o	o	NOUN
eurjchem-2498	707	26	–	–	PUNCT
eurjchem-2498	707	27	h⋯o	h⋯o	X
eurjchem-2498	707	28	and	and	CCONJ
eurjchem-2498	707	29	improper	improper	ADJ
eurjchem-2498	707	30	blue	blue	ADJ
eurjchem-2498	707	31	-	-	PUNCT
eurjchem-2498	707	32	shifted	shift	VERB
eurjchem-2498	707	33	c	c	NOUN
eurjchem-2498	707	34	–	–	PUNCT
eurjchem-2498	707	35	h⋯o	h⋯o	VERB
eurjchem-2498	707	36	hydrogen	hydrogen	NOUN
eurjchem-2498	707	37	bonds	bond	NOUN
eurjchem-2498	707	38	.	.	PUNCT
eurjchem-2498	708	1	phys	phy	NOUN
eurjchem-2498	708	2	.	.	PUNCT
eurjchem-2498	709	1	chem	chem	PROPN
eurjchem-2498	709	2	.	.	PUNCT
eurjchem-2498	710	1	chem	chem	NOUN
eurjchem-2498	710	2	.	.	PUNCT
eurjchem-2498	711	1	phys	phy	NOUN
eurjchem-2498	711	2	.	.	PUNCT
eurjchem-2498	712	1	2004	2004	NUM
eurjchem-2498	712	2	,	,	PUNCT
eurjchem-2498	712	3	6	6	NUM
eurjchem-2498	712	4	,	,	PUNCT
eurjchem-2498	712	5	37–41	37–41	NUM
eurjchem-2498	712	6	.	.	PUNCT
eurjchem-2498	713	1	[	[	X
eurjchem-2498	713	2	45	45	NUM
eurjchem-2498	713	3	]	]	PUNCT
eurjchem-2498	713	4	.	.	PUNCT
eurjchem-2498	714	1	alabugin	alabugin	ADV
eurjchem-2498	714	2	,	,	PUNCT
eurjchem-2498	714	3	i.	i.	PROPN
eurjchem-2498	714	4	v.	v.	PROPN
eurjchem-2498	714	5	;	;	PUNCT
eurjchem-2498	714	6	manoharan	manoharan	NOUN
eurjchem-2498	714	7	,	,	PUNCT
eurjchem-2498	714	8	m.	m.	NOUN
eurjchem-2498	714	9	;	;	PUNCT
eurjchem-2498	714	10	weinhold	weinhold	PROPN
eurjchem-2498	714	11	,	,	PUNCT
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eurjchem-2498	714	13	a.	a.	PROPN
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eurjchem-2498	714	15	-	-	PUNCT
eurjchem-2498	714	16	shifted	shift	VERB
eurjchem-2498	714	17	and	and	CCONJ
eurjchem-2498	714	18	redshifted	redshifte	VERB
eurjchem-2498	714	19	hydrogen	hydrogen	NOUN
eurjchem-2498	714	20	bonds	bond	NOUN
eurjchem-2498	714	21	in	in	ADP
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eurjchem-2498	714	23	rare	rare	ADJ
eurjchem-2498	714	24	-	-	PUNCT
eurjchem-2498	714	25	gas	gas	NOUN
eurjchem-2498	714	26	frg−h···y	frg−h···y	NOUN
eurjchem-2498	714	27	sandwiches	sandwich	NOUN
eurjchem-2498	714	28	.	.	PUNCT
eurjchem-2498	715	1	j.	j.	PROPN
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eurjchem-2498	715	3	.	.	PUNCT
eurjchem-2498	716	1	chem	chem	PROPN
eurjchem-2498	716	2	.	.	PUNCT
eurjchem-2498	717	1	a	a	DET
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eurjchem-2498	717	3	,	,	PUNCT
eurjchem-2498	717	4	108	108	NUM
eurjchem-2498	717	5	,	,	PUNCT
eurjchem-2498	717	6	4720–4730	4720–4730	NUM
eurjchem-2498	717	7	.	.	PUNCT
eurjchem-2498	718	1	[	[	X
eurjchem-2498	718	2	46	46	NUM
eurjchem-2498	718	3	]	]	PUNCT
eurjchem-2498	718	4	.	.	PUNCT
eurjchem-2498	719	1	alabugin	alabugin	ADV
eurjchem-2498	719	2	,	,	PUNCT
eurjchem-2498	719	3	i.	i.	PROPN
eurjchem-2498	719	4	v.	v.	PROPN
eurjchem-2498	719	5	;	;	PUNCT
eurjchem-2498	719	6	gilmore	gilmore	PROPN
eurjchem-2498	719	7	,	,	PUNCT
eurjchem-2498	719	8	k.	k.	PROPN
eurjchem-2498	719	9	m.	m.	PROPN
eurjchem-2498	719	10	;	;	PUNCT
eurjchem-2498	719	11	peterson	peterson	PROPN
eurjchem-2498	719	12	,	,	PUNCT
eurjchem-2498	719	13	p.	p.	PROPN
eurjchem-2498	719	14	w.	w.	PROPN
eurjchem-2498	719	15	hyperconjugation	hyperconjugation	PROPN
eurjchem-2498	719	16	.	.	PUNCT
eurjchem-2498	720	1	wiley	wiley	PROPN
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eurjchem-2498	720	3	.	.	PUNCT
eurjchem-2498	721	1	rev	rev	PROPN
eurjchem-2498	721	2	.	.	PROPN
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eurjchem-2498	721	4	.	.	PUNCT
eurjchem-2498	722	1	mol	mol	PROPN
eurjchem-2498	722	2	.	.	PUNCT
eurjchem-2498	723	1	sci	sci	PROPN
eurjchem-2498	723	2	.	.	PROPN
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eurjchem-2498	723	4	,	,	PUNCT
eurjchem-2498	723	5	1	1	NUM
eurjchem-2498	723	6	,	,	PUNCT
eurjchem-2498	723	7	109–141	109–141	NUM
eurjchem-2498	723	8	.	.	PUNCT
eurjchem-2498	724	1	[	[	X
eurjchem-2498	724	2	47	47	NUM
eurjchem-2498	724	3	]	]	PUNCT
eurjchem-2498	724	4	.	.	PUNCT
eurjchem-2498	725	1	reed	reed	PROPN
eurjchem-2498	725	2	,	,	PUNCT
eurjchem-2498	725	3	a.	a.	PROPN
eurjchem-2498	725	4	e.	e.	PROPN
eurjchem-2498	725	5	;	;	PUNCT
eurjchem-2498	725	6	weinstock	weinstock	PROPN
eurjchem-2498	725	7	,	,	PUNCT
eurjchem-2498	725	8	r.	r.	PROPN
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eurjchem-2498	725	10	;	;	PUNCT
eurjchem-2498	725	11	weinhold	weinhold	PROPN
eurjchem-2498	725	12	,	,	PUNCT
eurjchem-2498	725	13	f.	f.	PROPN
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eurjchem-2498	725	17	.	.	PUNCT
eurjchem-2498	726	1	j.	j.	PROPN
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eurjchem-2498	726	3	.	.	PUNCT
eurjchem-2498	727	1	phys	phy	NOUN
eurjchem-2498	727	2	.	.	PUNCT
eurjchem-2498	728	1	1985	1985	NUM
eurjchem-2498	728	2	,	,	PUNCT
eurjchem-2498	728	3	83	83	NUM
eurjchem-2498	728	4	,	,	PUNCT
eurjchem-2498	728	5	735–746	735–746	NUM
eurjchem-2498	728	6	.	.	PUNCT
eurjchem-2498	729	1	[	[	X
eurjchem-2498	729	2	48	48	NUM
eurjchem-2498	729	3	]	]	PUNCT
eurjchem-2498	729	4	.	.	PUNCT
eurjchem-2498	729	5	parr	parr	PROPN
eurjchem-2498	729	6	,	,	PUNCT
eurjchem-2498	729	7	r.	r.	PROPN
eurjchem-2498	729	8	g.	g.	PROPN
eurjchem-2498	729	9	;	;	PUNCT
eurjchem-2498	729	10	chattaraj	chattaraj	VERB
eurjchem-2498	729	11	,	,	PUNCT
eurjchem-2498	729	12	p.	p.	PROPN
eurjchem-2498	729	13	k.	k.	PROPN
eurjchem-2498	730	1	principle	principle	NOUN
eurjchem-2498	730	2	of	of	ADP
eurjchem-2498	730	3	maximum	maximum	ADJ
eurjchem-2498	730	4	hardness	hardness	NOUN
eurjchem-2498	730	5	.	.	PUNCT
eurjchem-2498	731	1	j.	j.	PROPN
eurjchem-2498	731	2	am	am	PROPN
eurjchem-2498	731	3	.	.	PUNCT
eurjchem-2498	732	1	chem	chem	NOUN
eurjchem-2498	732	2	.	.	PUNCT
eurjchem-2498	733	1	soc	soc	PROPN
eurjchem-2498	733	2	.	.	PUNCT
eurjchem-2498	734	1	1991	1991	NUM
eurjchem-2498	734	2	,	,	PUNCT
eurjchem-2498	734	3	113	113	NUM
eurjchem-2498	734	4	,	,	PUNCT
eurjchem-2498	734	5	1854–1855	1854–1855	NUM
eurjchem-2498	734	6	.	.	PUNCT
eurjchem-2498	735	1	[	[	X
eurjchem-2498	735	2	49	49	NUM
eurjchem-2498	735	3	]	]	PUNCT
eurjchem-2498	735	4	.	.	PUNCT
eurjchem-2498	736	1	sebastian	sebastian	PROPN
eurjchem-2498	736	2	,	,	PUNCT
eurjchem-2498	736	3	k.	k.	PROPN
eurjchem-2498	736	4	l.	l.	PROPN
eurjchem-2498	736	5	on	on	ADP
eurjchem-2498	736	6	the	the	DET
eurjchem-2498	736	7	proof	proof	NOUN
eurjchem-2498	736	8	of	of	ADP
eurjchem-2498	736	9	the	the	DET
eurjchem-2498	736	10	principle	principle	NOUN
eurjchem-2498	736	11	of	of	ADP
eurjchem-2498	736	12	maximum	maximum	ADJ
eurjchem-2498	736	13	hardness	hardness	NOUN
eurjchem-2498	736	14	.	.	PUNCT
eurjchem-2498	737	1	chem	chem	NOUN
eurjchem-2498	737	2	.	.	PUNCT
eurjchem-2498	738	1	phys	phy	NOUN
eurjchem-2498	738	2	.	.	PUNCT
eurjchem-2498	739	1	lett	lett	PROPN
eurjchem-2498	739	2	.	.	PROPN
eurjchem-2498	739	3	1994	1994	NUM
eurjchem-2498	739	4	,	,	PUNCT
eurjchem-2498	739	5	231	231	NUM
eurjchem-2498	739	6	,	,	PUNCT
eurjchem-2498	739	7	40–42	40–42	PROPN
eurjchem-2498	739	8	.	.	PUNCT
eurjchem-2498	740	1	[	[	X
eurjchem-2498	740	2	50	50	NUM
eurjchem-2498	740	3	]	]	PUNCT
eurjchem-2498	740	4	.	.	PUNCT
eurjchem-2498	741	1	wang	wang	PROPN
eurjchem-2498	741	2	,	,	PUNCT
eurjchem-2498	741	3	s.	s.	PROPN
eurjchem-2498	741	4	;	;	PUNCT
eurjchem-2498	741	5	cao	cao	PROPN
eurjchem-2498	741	6	,	,	PUNCT
eurjchem-2498	741	7	j.	j.	PROPN
eurjchem-2498	741	8	;	;	PUNCT
eurjchem-2498	741	9	jia	jia	PROPN
eurjchem-2498	741	10	,	,	PUNCT
eurjchem-2498	741	11	w.	w.	PROPN
eurjchem-2498	741	12	;	;	PUNCT
eurjchem-2498	741	13	guo	guo	PROPN
eurjchem-2498	741	14	,	,	PUNCT
eurjchem-2498	741	15	w.	w.	PROPN
eurjchem-2498	741	16	;	;	PUNCT
eurjchem-2498	741	17	yan	yan	PROPN
eurjchem-2498	741	18	,	,	PUNCT
eurjchem-2498	741	19	s.	s.	PROPN
eurjchem-2498	741	20	;	;	PUNCT
eurjchem-2498	741	21	wang	wang	PROPN
eurjchem-2498	741	22	,	,	PUNCT
eurjchem-2498	741	23	y.	y.	PROPN
eurjchem-2498	741	24	;	;	PUNCT
eurjchem-2498	741	25	zhang	zhang	PROPN
eurjchem-2498	741	26	,	,	PUNCT
eurjchem-2498	741	27	p.	p.	PROPN
eurjchem-2498	741	28	;	;	PUNCT
eurjchem-2498	741	29	chen	chen	PROPN
eurjchem-2498	741	30	,	,	PUNCT
eurjchem-2498	741	31	h.y	h.y	PROPN
eurjchem-2498	741	32	.	.	PROPN
eurjchem-2498	741	33	;	;	PUNCT
eurjchem-2498	741	34	huang	huang	PROPN
eurjchem-2498	741	35	,	,	PUNCT
eurjchem-2498	741	36	s.	s.	PROPN
eurjchem-2498	741	37	single	single	ADJ
eurjchem-2498	741	38	molecule	molecule	NOUN
eurjchem-2498	741	39	observation	observation	NOUN
eurjchem-2498	741	40	of	of	ADP
eurjchem-2498	741	41	hard	hard	ADJ
eurjchem-2498	741	42	–	–	PUNCT
eurjchem-2498	741	43	soft	soft	ADJ
eurjchem-2498	741	44	-	-	PUNCT
eurjchem-2498	741	45	acid	acid	NOUN
eurjchem-2498	741	46	–	–	PUNCT
eurjchem-2498	741	47	base	base	NOUN
eurjchem-2498	741	48	(	(	PUNCT
eurjchem-2498	741	49	hsab	hsab	NOUN
eurjchem-2498	741	50	)	)	PUNCT
eurjchem-2498	741	51	interaction	interaction	NOUN
eurjchem-2498	741	52	in	in	ADP
eurjchem-2498	741	53	engineered	engineer	VERB
eurjchem-2498	741	54	mycobacterium	mycobacterium	NOUN
eurjchem-2498	741	55	smegmatisporin	smegmatisporin	NOUN
eurjchem-2498	741	56	a	a	DET
eurjchem-2498	741	57	(	(	PUNCT
eurjchem-2498	741	58	mspa	mspa	NOUN
eurjchem-2498	741	59	)	)	PUNCT
eurjchem-2498	741	60	nanopores	nanopore	NOUN
eurjchem-2498	741	61	.	.	PUNCT
eurjchem-2498	742	1	chem	chem	NOUN
eurjchem-2498	742	2	.	.	PUNCT
eurjchem-2498	743	1	sci	sci	PROPN
eurjchem-2498	743	2	.	.	PROPN
eurjchem-2498	743	3	2020	2020	NUM
eurjchem-2498	743	4	,	,	PUNCT
eurjchem-2498	743	5	11	11	NUM
eurjchem-2498	743	6	,	,	PUNCT
eurjchem-2498	743	7	879–887	879–887	NUM
eurjchem-2498	743	8	.	.	PUNCT
eurjchem-2498	744	1	[	[	X
eurjchem-2498	744	2	51	51	NUM
eurjchem-2498	744	3	]	]	PUNCT
eurjchem-2498	744	4	.	.	PUNCT
eurjchem-2498	745	1	ashraf	ashraf	PROPN
eurjchem-2498	745	2	,	,	PUNCT
eurjchem-2498	745	3	r.	r.	PROPN
eurjchem-2498	745	4	s.	s.	PROPN
eurjchem-2498	745	5	;	;	PUNCT
eurjchem-2498	745	6	kronemeijer	kronemeijer	PROPN
eurjchem-2498	745	7	,	,	PUNCT
eurjchem-2498	745	8	a.	a.	NOUN
eurjchem-2498	745	9	j.	j.	PROPN
eurjchem-2498	745	10	;	;	PUNCT
eurjchem-2498	745	11	james	james	PROPN
eurjchem-2498	745	12	,	,	PUNCT
eurjchem-2498	745	13	d.	d.	PROPN
eurjchem-2498	745	14	i.	i.	PROPN
eurjchem-2498	745	15	;	;	PUNCT
eurjchem-2498	745	16	sirringhaus	sirringhaus	PROPN
eurjchem-2498	745	17	,	,	PUNCT
eurjchem-2498	745	18	h.	h.	PROPN
eurjchem-2498	745	19	;	;	PUNCT
eurjchem-2498	745	20	mcculloch	mcculloch	PROPN
eurjchem-2498	745	21	,	,	PUNCT
eurjchem-2498	745	22	i.	i.	PROPN
eurjchem-2498	745	23	a	a	DET
eurjchem-2498	745	24	new	new	ADJ
eurjchem-2498	745	25	thiophene	thiophene	NOUN
eurjchem-2498	745	26	substituted	substitute	VERB
eurjchem-2498	745	27	isoindigo	isoindigo	ADJ
eurjchem-2498	745	28	based	base	VERB
eurjchem-2498	745	29	copolymer	copolymer	NOUN
eurjchem-2498	745	30	for	for	ADP
eurjchem-2498	745	31	high	high	ADJ
eurjchem-2498	745	32	performance	performance	NOUN
eurjchem-2498	745	33	ambipolar	ambipolar	ADJ
eurjchem-2498	745	34	transistors	transistor	NOUN
eurjchem-2498	745	35	.	.	PUNCT
eurjchem-2498	746	1	chem	chem	NOUN
eurjchem-2498	746	2	.	.	PUNCT
eurjchem-2498	747	1	commun	commun	PROPN
eurjchem-2498	747	2	.	.	PUNCT
eurjchem-2498	748	1	(	(	PUNCT
eurjchem-2498	748	2	camb	camb	PROPN
eurjchem-2498	748	3	.	.	PUNCT
eurjchem-2498	748	4	)	)	PUNCT
eurjchem-2498	749	1	2012	2012	NUM
eurjchem-2498	749	2	,	,	PUNCT
eurjchem-2498	749	3	48	48	NUM
eurjchem-2498	749	4	,	,	PUNCT
eurjchem-2498	749	5	3939–3941	3939–3941	NUM
eurjchem-2498	749	6	.	.	PUNCT
eurjchem-2498	750	1	[	[	X
eurjchem-2498	750	2	52	52	NUM
eurjchem-2498	750	3	]	]	PUNCT
eurjchem-2498	750	4	.	.	PUNCT
eurjchem-2498	751	1	kanimozhi	kanimozhi	PROPN
eurjchem-2498	751	2	,	,	PUNCT
eurjchem-2498	751	3	c.	c.	PROPN
eurjchem-2498	751	4	;	;	PUNCT
eurjchem-2498	751	5	yaacobi	yaacobi	PROPN
eurjchem-2498	751	6	-	-	PUNCT
eurjchem-2498	751	7	gross	gross	ADJ
eurjchem-2498	751	8	,	,	PUNCT
eurjchem-2498	751	9	n.	n.	NOUN
eurjchem-2498	751	10	;	;	PUNCT
eurjchem-2498	751	11	chou	chou	PROPN
eurjchem-2498	751	12	,	,	PUNCT
eurjchem-2498	751	13	k.	k.	PROPN
eurjchem-2498	751	14	w.	w.	PROPN
eurjchem-2498	751	15	;	;	PUNCT
eurjchem-2498	751	16	amassian	amassian	ADJ
eurjchem-2498	751	17	,	,	PUNCT
eurjchem-2498	751	18	a.	a.	NOUN
eurjchem-2498	751	19	;	;	PUNCT
eurjchem-2498	751	20	anthopoulos	anthopoulos	PROPN
eurjchem-2498	751	21	,	,	PUNCT
eurjchem-2498	751	22	t.	t.	PROPN
eurjchem-2498	751	23	d.	d.	PROPN
eurjchem-2498	751	24	;	;	PUNCT
eurjchem-2498	751	25	patil	patil	PROPN
eurjchem-2498	751	26	,	,	PUNCT
eurjchem-2498	751	27	s.	s.	PROPN
eurjchem-2498	751	28	diketopyrrolopyrrole	diketopyrrolopyrrole	PROPN
eurjchem-2498	751	29	–	–	PUNCT
eurjchem-2498	751	30	diketopyrrolo	diketopyrrolo	NOUN
eurjchem-2498	751	31	pyrrole	pyrrole	NOUN
eurjchem-2498	751	32	-	-	PUNCT
eurjchem-2498	751	33	based	base	VERB
eurjchem-2498	751	34	conjugated	conjugated	ADJ
eurjchem-2498	751	35	copolymer	copolymer	NOUN
eurjchem-2498	751	36	for	for	ADP
eurjchem-2498	751	37	high	high	ADJ
eurjchem-2498	751	38	-	-	PUNCT
eurjchem-2498	751	39	mobility	mobility	NOUN
eurjchem-2498	751	40	organic	organic	ADJ
eurjchem-2498	751	41	fieldeffect	fieldeffect	ADJ
eurjchem-2498	751	42	transistors	transistor	NOUN
eurjchem-2498	751	43	.	.	PUNCT
eurjchem-2498	752	1	j.	j.	PROPN
eurjchem-2498	752	2	am	am	PROPN
eurjchem-2498	752	3	.	.	PUNCT
eurjchem-2498	753	1	chem	chem	NOUN
eurjchem-2498	753	2	.	.	PUNCT
eurjchem-2498	754	1	soc	soc	PROPN
eurjchem-2498	754	2	.	.	PUNCT
eurjchem-2498	755	1	2012	2012	NUM
eurjchem-2498	755	2	,	,	PUNCT
eurjchem-2498	755	3	134	134	NUM
eurjchem-2498	755	4	,	,	PUNCT
eurjchem-2498	755	5	16532–16535	16532–16535	NUM
eurjchem-2498	755	6	.	.	PUNCT
eurjchem-2498	756	1	[	[	X
eurjchem-2498	756	2	53	53	NUM
eurjchem-2498	756	3	]	]	PUNCT
eurjchem-2498	756	4	.	.	PUNCT
eurjchem-2498	756	5	parr	parr	PROPN
eurjchem-2498	756	6	,	,	PUNCT
eurjchem-2498	756	7	r.	r.	PROPN
eurjchem-2498	756	8	g.	g.	PROPN
eurjchem-2498	756	9	;	;	PUNCT
eurjchem-2498	756	10	pearson	pearson	PROPN
eurjchem-2498	756	11	,	,	PUNCT
eurjchem-2498	756	12	r.	r.	PROPN
eurjchem-2498	756	13	g.	g.	PROPN
eurjchem-2498	756	14	absolute	absolute	PROPN
eurjchem-2498	756	15	hardness	hardness	NOUN
eurjchem-2498	756	16	:	:	PUNCT
eurjchem-2498	756	17	companion	companion	NOUN
eurjchem-2498	756	18	parameter	parameter	NOUN
eurjchem-2498	756	19	to	to	ADP
eurjchem-2498	756	20	absolute	absolute	ADJ
eurjchem-2498	756	21	electronegativity	electronegativity	NOUN
eurjchem-2498	756	22	.	.	PUNCT
eurjchem-2498	757	1	j.	j.	PROPN
eurjchem-2498	757	2	am	am	PROPN
eurjchem-2498	757	3	.	.	PUNCT
eurjchem-2498	758	1	chem	chem	NOUN
eurjchem-2498	758	2	.	.	PUNCT
eurjchem-2498	759	1	soc	soc	PROPN
eurjchem-2498	759	2	.	.	PUNCT
eurjchem-2498	760	1	1983	1983	NUM
eurjchem-2498	760	2	,	,	PUNCT
eurjchem-2498	760	3	105	105	NUM
eurjchem-2498	760	4	,	,	PUNCT
eurjchem-2498	760	5	7512–7516	7512–7516	NUM
eurjchem-2498	760	6	.	.	PUNCT
eurjchem-2498	761	1	[	[	X
eurjchem-2498	761	2	54	54	NUM
eurjchem-2498	761	3	]	]	PUNCT
eurjchem-2498	761	4	.	.	PUNCT
eurjchem-2498	762	1	gece	gece	PROPN
eurjchem-2498	762	2	,	,	PUNCT
eurjchem-2498	762	3	g.	g.	X
eurjchem-2498	762	4	the	the	DET
eurjchem-2498	762	5	use	use	NOUN
eurjchem-2498	762	6	of	of	ADP
eurjchem-2498	762	7	quantum	quantum	ADJ
eurjchem-2498	762	8	chemical	chemical	NOUN
eurjchem-2498	762	9	methods	method	NOUN
eurjchem-2498	762	10	in	in	ADP
eurjchem-2498	762	11	corrosion	corrosion	NOUN
eurjchem-2498	762	12	inhibitor	inhibitor	NOUN
eurjchem-2498	762	13	studies	study	NOUN
eurjchem-2498	762	14	.	.	PUNCT
eurjchem-2498	763	1	corros	corros	PROPN
eurjchem-2498	763	2	.	.	PUNCT
eurjchem-2498	764	1	sci	sci	PROPN
eurjchem-2498	764	2	.	.	PROPN
eurjchem-2498	764	3	2008	2008	NUM
eurjchem-2498	764	4	,	,	PUNCT
eurjchem-2498	764	5	50	50	NUM
eurjchem-2498	764	6	,	,	PUNCT
eurjchem-2498	764	7	2981–2992	2981–2992	NUM
eurjchem-2498	764	8	.	.	PUNCT
eurjchem-2498	765	1	[	[	X
eurjchem-2498	765	2	55	55	NUM
eurjchem-2498	765	3	]	]	SYM
eurjchem-2498	765	4	.	.	PUNCT
eurjchem-2498	766	1	sheela	sheela	PROPN
eurjchem-2498	766	2	,	,	PUNCT
eurjchem-2498	766	3	n.	n.	PROPN
eurjchem-2498	766	4	r.	r.	PROPN
eurjchem-2498	766	5	;	;	PUNCT
eurjchem-2498	766	6	muthu	muthu	PROPN
eurjchem-2498	766	7	,	,	PUNCT
eurjchem-2498	766	8	s.	s.	PROPN
eurjchem-2498	766	9	;	;	PUNCT
eurjchem-2498	766	10	sampathkrishnan	sampathkrishnan	PROPN
eurjchem-2498	766	11	,	,	PUNCT
eurjchem-2498	766	12	s.	s.	PROPN
eurjchem-2498	766	13	molecular	molecular	ADJ
eurjchem-2498	766	14	orbital	orbital	ADJ
eurjchem-2498	766	15	studies	study	NOUN
eurjchem-2498	766	16	(	(	PUNCT
eurjchem-2498	766	17	hardness	hardness	INTJ
eurjchem-2498	766	18	,	,	PUNCT
eurjchem-2498	766	19	chemical	chemical	ADJ
eurjchem-2498	766	20	potential	potential	NOUN
eurjchem-2498	766	21	and	and	CCONJ
eurjchem-2498	766	22	electrophilicity	electrophilicity	NOUN
eurjchem-2498	766	23	)	)	PUNCT
eurjchem-2498	766	24	,	,	PUNCT
eurjchem-2498	766	25	vibrational	vibrational	ADJ
eurjchem-2498	766	26	investigation	investigation	NOUN
eurjchem-2498	766	27	and	and	CCONJ
eurjchem-2498	766	28	theoretical	theoretical	ADJ
eurjchem-2498	766	29	nbo	nbo	PROPN
eurjchem-2498	766	30	analysis	analysis	NOUN
eurjchem-2498	766	31	of	of	ADP
eurjchem-2498	766	32	4	4	NUM
eurjchem-2498	766	33	-	-	PUNCT
eurjchem-2498	766	34	4′-(1h-1,2,4	4′-(1h-1,2,4	NUM
eurjchem-2498	766	35	-	-	PUNCT
eurjchem-2498	766	36	triazol-1yl	triazol-1yl	NOUN
eurjchem-2498	766	37	methylene	methylene	NOUN
eurjchem-2498	766	38	)	)	PUNCT
eurjchem-2498	766	39	dibenzonitrile	dibenzonitrile	NOUN
eurjchem-2498	766	40	based	base	VERB
eurjchem-2498	766	41	on	on	ADP
eurjchem-2498	766	42	abinitio	abinitio	PRON
eurjchem-2498	766	43	and	and	CCONJ
eurjchem-2498	766	44	dft	dft	PROPN
eurjchem-2498	766	45	methods	method	NOUN
eurjchem-2498	766	46	.	.	PUNCT
eurjchem-2498	767	1	spectrochim	spectrochim	PROPN
eurjchem-2498	767	2	.	.	PUNCT
eurjchem-2498	768	1	acta	acta	PROPN
eurjchem-2498	768	2	a	a	DET
eurjchem-2498	768	3	mol	mol	PROPN
eurjchem-2498	768	4	.	.	PROPN
eurjchem-2498	768	5	biomol	biomol	PROPN
eurjchem-2498	768	6	.	.	PUNCT
eurjchem-2498	769	1	spectrosc	spectrosc	PROPN
eurjchem-2498	769	2	.	.	PUNCT
eurjchem-2498	770	1	2014	2014	NUM
eurjchem-2498	770	2	,	,	PUNCT
eurjchem-2498	770	3	120	120	NUM
eurjchem-2498	770	4	,	,	PUNCT
eurjchem-2498	770	5	237–251	237–251	NUM
eurjchem-2498	770	6	.	.	PUNCT
eurjchem-2498	771	1	[	[	X
eurjchem-2498	771	2	56	56	NUM
eurjchem-2498	771	3	]	]	PUNCT
eurjchem-2498	771	4	.	.	PUNCT
eurjchem-2498	772	1	ajibade	ajibade	PROPN
eurjchem-2498	772	2	adejoro	adejoro	PROPN
eurjchem-2498	772	3	,	,	PUNCT
eurjchem-2498	772	4	i.	i.	PROPN
eurjchem-2498	772	5	;	;	PUNCT
eurjchem-2498	772	6	emmanuel	emmanuel	PROPN
eurjchem-2498	772	7	oyeneyin	oyeneyin	PROPN
eurjchem-2498	772	8	,	,	PUNCT
eurjchem-2498	772	9	o.	o.	PROPN
eurjchem-2498	772	10	;	;	PUNCT
eurjchem-2498	772	11	temitope	temitope	NOUN
eurjchem-2498	772	12	ogunyemi	ogunyemi	PROPN
eurjchem-2498	772	13	,	,	PUNCT
eurjchem-2498	772	14	b.	b.	PROPN
eurjchem-2498	772	15	computational	computational	ADJ
eurjchem-2498	772	16	investigation	investigation	NOUN
eurjchem-2498	772	17	on	on	ADP
eurjchem-2498	772	18	substituent	substituent	NOUN
eurjchem-2498	772	19	and	and	CCONJ
eurjchem-2498	772	20	solvent	solvent	ADJ
eurjchem-2498	772	21	effects	effect	NOUN
eurjchem-2498	772	22	on	on	ADP
eurjchem-2498	772	23	the	the	DET
eurjchem-2498	772	24	electronic	electronic	ADJ
eurjchem-2498	772	25	,	,	PUNCT
eurjchem-2498	772	26	geometric	geometric	ADJ
eurjchem-2498	772	27	and	and	CCONJ
eurjchem-2498	772	28	spectroscopic	spectroscopic	ADJ
eurjchem-2498	772	29	properties	property	NOUN
eurjchem-2498	772	30	of	of	ADP
eurjchem-2498	772	31	azobenzene	azobenzene	NOUN
eurjchem-2498	772	32	and	and	CCONJ
eurjchem-2498	772	33	some	some	DET
eurjchem-2498	772	34	substituted	substitute	VERB
eurjchem-2498	772	35	derivatives	derivative	NOUN
eurjchem-2498	772	36	.	.	PUNCT
eurjchem-2498	773	1	int	int	NOUN
eurjchem-2498	773	2	.	.	PUNCT
eurjchem-2498	774	1	j.	j.	PROPN
eurjchem-2498	774	2	comput	comput	PROPN
eurjchem-2498	774	3	.	.	PUNCT
eurjchem-2498	775	1	theor	theor	PROPN
eurjchem-2498	775	2	.	.	PUNCT
eurjchem-2498	775	3	chem	chem	PROPN
eurjchem-2498	775	4	.	.	PUNCT
eurjchem-2498	776	1	2015	2015	NUM
eurjchem-2498	776	2	,	,	PUNCT
eurjchem-2498	776	3	3	3	NUM
eurjchem-2498	776	4	,	,	PUNCT
eurjchem-2498	776	5	50	50	NUM
eurjchem-2498	776	6	–	–	PUNCT
eurjchem-2498	776	7	57	57	NUM
eurjchem-2498	776	8	.	.	PUNCT
eurjchem-2498	777	1	[	[	X
eurjchem-2498	777	2	57	57	NUM
eurjchem-2498	777	3	]	]	PUNCT
eurjchem-2498	777	4	.	.	PUNCT
eurjchem-2498	778	1	feixas	feixas	PROPN
eurjchem-2498	778	2	,	,	PUNCT
eurjchem-2498	778	3	f.	f.	PROPN
eurjchem-2498	778	4	;	;	PUNCT
eurjchem-2498	778	5	matito	matito	PROPN
eurjchem-2498	778	6	,	,	PUNCT
eurjchem-2498	778	7	e.	e.	PROPN
eurjchem-2498	778	8	;	;	PUNCT
eurjchem-2498	778	9	poater	poater	PROPN
eurjchem-2498	778	10	,	,	PUNCT
eurjchem-2498	778	11	j.	j.	PROPN
eurjchem-2498	778	12	;	;	PUNCT
eurjchem-2498	778	13	solà	solà	ADJ
eurjchem-2498	778	14	,	,	PUNCT
eurjchem-2498	778	15	m.	m.	NOUN
eurjchem-2498	778	16	quantifying	quantify	VERB
eurjchem-2498	778	17	aromaticity	aromaticity	NOUN
eurjchem-2498	778	18	with	with	ADP
eurjchem-2498	778	19	electron	electron	NOUN
eurjchem-2498	778	20	delocalisation	delocalisation	NOUN
eurjchem-2498	778	21	measures	measure	NOUN
eurjchem-2498	778	22	.	.	PUNCT
eurjchem-2498	779	1	chem	chem	NOUN
eurjchem-2498	779	2	.	.	PUNCT
eurjchem-2498	780	1	soc	soc	PROPN
eurjchem-2498	780	2	.	.	PUNCT
eurjchem-2498	781	1	rev	rev	PROPN
eurjchem-2498	781	2	.	.	PROPN
eurjchem-2498	781	3	2015	2015	NUM
eurjchem-2498	781	4	,	,	PUNCT
eurjchem-2498	781	5	44	44	NUM
eurjchem-2498	781	6	,	,	PUNCT
eurjchem-2498	781	7	6434	6434	NUM
eurjchem-2498	781	8	–	–	PUNCT
eurjchem-2498	781	9	6451	6451	NUM
eurjchem-2498	781	10	.	.	PUNCT
eurjchem-2498	782	1	[	[	X
eurjchem-2498	782	2	58	58	NUM
eurjchem-2498	782	3	]	]	PUNCT
eurjchem-2498	782	4	.	.	PUNCT
eurjchem-2498	783	1	stanger	stanger	NOUN
eurjchem-2498	783	2	,	,	PUNCT
eurjchem-2498	783	3	a.	a.	PROPN
eurjchem-2498	783	4	nucleus	nucleus	NOUN
eurjchem-2498	783	5	-	-	PUNCT
eurjchem-2498	783	6	independent	independent	ADJ
eurjchem-2498	783	7	chemical	chemical	ADJ
eurjchem-2498	783	8	shifts	shift	NOUN
eurjchem-2498	783	9	(	(	PUNCT
eurjchem-2498	783	10	nics	nic	NOUN
eurjchem-2498	783	11	):	):	PUNCT
eurjchem-2498	783	12	distance	distance	NOUN
eurjchem-2498	783	13	dependence	dependence	NOUN
eurjchem-2498	783	14	and	and	CCONJ
eurjchem-2498	783	15	revised	revise	VERB
eurjchem-2498	783	16	criteria	criterion	NOUN
eurjchem-2498	783	17	for	for	ADP
eurjchem-2498	783	18	aromaticity	aromaticity	NOUN
eurjchem-2498	783	19	and	and	CCONJ
eurjchem-2498	783	20	antiaromaticity	antiaromaticity	NOUN
eurjchem-2498	783	21	.	.	PUNCT
eurjchem-2498	784	1	j.	j.	PROPN
eurjchem-2498	784	2	org	org	PROPN
eurjchem-2498	784	3	.	.	PUNCT
eurjchem-2498	784	4	chem	chem	PROPN
eurjchem-2498	784	5	.	.	PUNCT
eurjchem-2498	785	1	2006	2006	NUM
eurjchem-2498	785	2	,	,	PUNCT
eurjchem-2498	785	3	71	71	NUM
eurjchem-2498	785	4	,	,	PUNCT
eurjchem-2498	785	5	883–893	883–893	NUM
eurjchem-2498	785	6	.	.	PUNCT
eurjchem-2498	786	1	70	70	NUM
eurjchem-2498	786	2	siluvairaj	siluvairaj	VERB
eurjchem-2498	786	3	et	et	PROPN
eurjchem-2498	786	4	al	al	PROPN
eurjchem-2498	786	5	.	.	PUNCT
eurjchem-2498	786	6	/	/	SYM
eurjchem-2498	786	7	european	european	PROPN
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eurjchem-2498	786	9	of	of	ADP
eurjchem-2498	786	10	chemistry	chemistry	NOUN
eurjchem-2498	786	11	15	15	NUM
eurjchem-2498	786	12	(	(	PUNCT
eurjchem-2498	786	13	1	1	NUM
eurjchem-2498	786	14	)	)	PUNCT
eurjchem-2498	786	15	(	(	PUNCT
eurjchem-2498	786	16	2024	2024	NUM
eurjchem-2498	786	17	)	)	PUNCT
eurjchem-2498	786	18	50	50	NUM
eurjchem-2498	786	19	-	-	SYM
eurjchem-2498	786	20	70	70	NUM
eurjchem-2498	786	21	2024	2024	NUM
eurjchem-2498	786	22	–	–	PUNCT
eurjchem-2498	786	23	european	european	ADJ
eurjchem-2498	786	24	journal	journal	NOUN
eurjchem-2498	786	25	of	of	ADP
eurjchem-2498	786	26	chemistry	chemistry	NOUN
eurjchem-2498	786	27	–	–	PUNCT
eurjchem-2498	786	28	cc	cc	NOUN
eurjchem-2498	786	29	by	by	ADP
eurjchem-2498	786	30	nc	nc	PROPN
eurjchem-2498	786	31	–	–	PUNCT
eurjchem-2498	786	32	doi	doi	NOUN
eurjchem-2498	786	33	:	:	PUNCT
eurjchem-2498	786	34	10.5155	10.5155	NUM
eurjchem-2498	786	35	/	/	SYM
eurjchem-2498	786	36	eurjchem.15.1.50	eurjchem.15.1.50	PROPN
eurjchem-2498	786	37	-	-	PROPN
eurjchem-2498	786	38	70.2498	70.2498	NUM
eurjchem-2498	786	39	[	[	X
eurjchem-2498	786	40	59	59	NUM
eurjchem-2498	786	41	]	]	PUNCT
eurjchem-2498	786	42	.	.	PUNCT
eurjchem-2498	787	1	ostrowski	ostrowski	PROPN
eurjchem-2498	787	2	,	,	PUNCT
eurjchem-2498	787	3	s.	s.	PROPN
eurjchem-2498	787	4	;	;	PUNCT
eurjchem-2498	787	5	dobrowolski	dobrowolski	ADJ
eurjchem-2498	787	6	,	,	PUNCT
eurjchem-2498	787	7	j.	j.	PROPN
eurjchem-2498	787	8	c.	c.	PROPN
eurjchem-2498	787	9	what	what	PRON
eurjchem-2498	787	10	does	do	AUX
eurjchem-2498	787	11	the	the	DET
eurjchem-2498	787	12	homa	homa	PROPN
eurjchem-2498	787	13	index	index	NOUN
eurjchem-2498	787	14	really	really	ADV
eurjchem-2498	787	15	measure	measure	VERB
eurjchem-2498	787	16	?	?	PUNCT
eurjchem-2498	788	1	rsc	rsc	PROPN
eurjchem-2498	788	2	adv	adv	PROPN
eurjchem-2498	788	3	.	.	PROPN
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eurjchem-2498	788	5	,	,	PUNCT
eurjchem-2498	788	6	4	4	NUM
eurjchem-2498	788	7	,	,	PUNCT
eurjchem-2498	788	8	44158–44161	44158–44161	NUM
eurjchem-2498	788	9	.	.	PUNCT
eurjchem-2498	789	1	[	[	X
eurjchem-2498	789	2	60	60	NUM
eurjchem-2498	789	3	]	]	PUNCT
eurjchem-2498	789	4	.	.	PUNCT
eurjchem-2498	789	5	parr	parr	PROPN
eurjchem-2498	789	6	,	,	PUNCT
eurjchem-2498	789	7	r.	r.	PROPN
eurjchem-2498	789	8	g.	g.	PROPN
eurjchem-2498	789	9	;	;	PUNCT
eurjchem-2498	789	10	yang	yang	PROPN
eurjchem-2498	789	11	,	,	PUNCT
eurjchem-2498	789	12	w.	w.	PROPN
eurjchem-2498	789	13	density	density	PROPN
eurjchem-2498	789	14	functional	functional	ADJ
eurjchem-2498	789	15	approach	approach	NOUN
eurjchem-2498	789	16	to	to	ADP
eurjchem-2498	789	17	the	the	DET
eurjchem-2498	789	18	frontierelectron	frontierelectron	ADJ
eurjchem-2498	789	19	theory	theory	NOUN
eurjchem-2498	789	20	of	of	ADP
eurjchem-2498	789	21	chemical	chemical	ADJ
eurjchem-2498	789	22	reactivity	reactivity	NOUN
eurjchem-2498	789	23	.	.	PUNCT
eurjchem-2498	790	1	j.	j.	PROPN
eurjchem-2498	790	2	am	am	PROPN
eurjchem-2498	790	3	.	.	PUNCT
eurjchem-2498	791	1	chem	chem	NOUN
eurjchem-2498	791	2	.	.	PUNCT
eurjchem-2498	792	1	soc	soc	PROPN
eurjchem-2498	792	2	.	.	PUNCT
eurjchem-2498	793	1	1984	1984	NUM
eurjchem-2498	793	2	,	,	PUNCT
eurjchem-2498	793	3	106	106	NUM
eurjchem-2498	793	4	,	,	PUNCT
eurjchem-2498	793	5	4049–4050	4049–4050	NUM
eurjchem-2498	793	6	.	.	PUNCT
eurjchem-2498	794	1	[	[	X
eurjchem-2498	794	2	61	61	NUM
eurjchem-2498	794	3	]	]	PUNCT
eurjchem-2498	794	4	.	.	PUNCT
eurjchem-2498	794	5	parr	parr	PROPN
eurjchem-2498	794	6	,	,	PUNCT
eurjchem-2498	794	7	r.	r.	PROPN
eurjchem-2498	794	8	g.	g.	PROPN
eurjchem-2498	794	9	;	;	PUNCT
eurjchem-2498	794	10	szentpály	szentpály	PROPN
eurjchem-2498	794	11	,	,	PUNCT
eurjchem-2498	794	12	l.	l.	PROPN
eurjchem-2498	794	13	v.	v.	PROPN
eurjchem-2498	794	14	;	;	PUNCT
eurjchem-2498	794	15	liu	liu	PROPN
eurjchem-2498	794	16	,	,	PUNCT
eurjchem-2498	794	17	s.	s.	PROPN
eurjchem-2498	794	18	electrophilicity	electrophilicity	PROPN
eurjchem-2498	794	19	index	index	PROPN
eurjchem-2498	794	20	.	.	PUNCT
eurjchem-2498	795	1	j.	j.	PROPN
eurjchem-2498	795	2	am	am	PROPN
eurjchem-2498	795	3	.	.	PUNCT
eurjchem-2498	796	1	chem	chem	NOUN
eurjchem-2498	796	2	.	.	PUNCT
eurjchem-2498	797	1	soc	soc	PROPN
eurjchem-2498	797	2	.	.	PUNCT
eurjchem-2498	798	1	1999	1999	NUM
eurjchem-2498	798	2	,	,	PUNCT
eurjchem-2498	798	3	121	121	NUM
eurjchem-2498	798	4	,	,	PUNCT
eurjchem-2498	798	5	1922–1924	1922–1924	NUM
eurjchem-2498	798	6	.	.	PUNCT
eurjchem-2498	799	1	[	[	X
eurjchem-2498	799	2	62	62	NUM
eurjchem-2498	799	3	]	]	PUNCT
eurjchem-2498	799	4	.	.	PUNCT
eurjchem-2498	799	5	jamróz	jamróz	PROPN
eurjchem-2498	799	6	,	,	PUNCT
eurjchem-2498	799	7	m.	m.	PROPN
eurjchem-2498	799	8	h.	h.	PROPN
eurjchem-2498	799	9	vibrational	vibrational	PROPN
eurjchem-2498	799	10	energy	energy	NOUN
eurjchem-2498	799	11	distribution	distribution	NOUN
eurjchem-2498	799	12	analysis	analysis	NOUN
eurjchem-2498	799	13	veda	veda	NOUN
eurjchem-2498	799	14	4	4	NUM
eurjchem-2498	799	15	,	,	PUNCT
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eurjchem-2498	799	17	,	,	PUNCT
eurjchem-2498	799	18	2004	2004	NUM
eurjchem-2498	799	19	-	-	SYM
eurjchem-2498	799	20	2010	2010	NUM
eurjchem-2498	799	21	.	.	PUNCT
eurjchem-2498	800	1	[	[	X
eurjchem-2498	800	2	63	63	NUM
eurjchem-2498	800	3	]	]	PUNCT
eurjchem-2498	800	4	.	.	PUNCT
eurjchem-2498	801	1	kolandaivel	kolandaivel	PROPN
eurjchem-2498	801	2	,	,	PUNCT
eurjchem-2498	801	3	p.	p.	NOUN
eurjchem-2498	801	4	;	;	PUNCT
eurjchem-2498	801	5	praveena	praveena	NOUN
eurjchem-2498	801	6	,	,	PUNCT
eurjchem-2498	801	7	g.	g.	PROPN
eurjchem-2498	801	8	;	;	PUNCT
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eurjchem-2498	801	10	,	,	PUNCT
eurjchem-2498	801	11	p.	p.	NOUN
eurjchem-2498	801	12	study	study	NOUN
eurjchem-2498	801	13	of	of	ADP
eurjchem-2498	801	14	atomic	atomic	ADJ
eurjchem-2498	801	15	and	and	CCONJ
eurjchem-2498	801	16	condensed	condensed	ADJ
eurjchem-2498	801	17	atomic	atomic	ADJ
eurjchem-2498	801	18	indices	index	NOUN
eurjchem-2498	801	19	for	for	ADP
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eurjchem-2498	801	22	of	of	ADP
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eurjchem-2498	801	24	.	.	PUNCT
eurjchem-2498	802	1	j.	j.	PROPN
eurjchem-2498	802	2	chem	chem	PROPN
eurjchem-2498	802	3	.	.	PUNCT
eurjchem-2498	803	1	sci	sci	PROPN
eurjchem-2498	803	2	.	.	PUNCT
eurjchem-2498	804	1	(	(	PUNCT
eurjchem-2498	804	2	bangalore	bangalore	PROPN
eurjchem-2498	804	3	)	)	PUNCT
eurjchem-2498	804	4	2005	2005	NUM
eurjchem-2498	804	5	,	,	PUNCT
eurjchem-2498	804	6	117	117	NUM
eurjchem-2498	804	7	,	,	PUNCT
eurjchem-2498	804	8	591–598	591–598	NUM
eurjchem-2498	804	9	.	.	PUNCT
eurjchem-2498	805	1	[	[	X
eurjchem-2498	805	2	64	64	NUM
eurjchem-2498	805	3	]	]	SYM
eurjchem-2498	805	4	.	.	PUNCT
eurjchem-2498	806	1	okulik	okulik	PROPN
eurjchem-2498	806	2	,	,	PUNCT
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eurjchem-2498	806	4	;	;	PUNCT
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eurjchem-2498	806	6	,	,	PUNCT
eurjchem-2498	806	7	a.	a.	PROPN
eurjchem-2498	806	8	h.	h.	PROPN
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eurjchem-2498	806	16	non	non	ADJ
eurjchem-2498	806	17	-	-	ADJ
eurjchem-2498	806	18	steroidal	steroidal	ADJ
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eurjchem-2498	806	20	-	-	ADJ
eurjchem-2498	806	21	inflammatory	inflammatory	ADJ
eurjchem-2498	806	22	drugs	drug	NOUN
eurjchem-2498	806	23	.	.	PUNCT
eurjchem-2498	807	1	int	int	NOUN
eurjchem-2498	807	2	.	.	PUNCT
eurjchem-2498	808	1	elect	elect	PROPN
eurjchem-2498	808	2	,	,	PUNCT
eurjchem-2498	808	3	j.	j.	PROPN
eurjchem-2498	808	4	mol	mol	PROPN
eurjchem-2498	808	5	.	.	PUNCT
eurjchem-2498	809	1	des	des	PROPN
eurjchem-2498	809	2	.	.	PROPN
eurjchem-2498	809	3	2005	2005	NUM
eurjchem-2498	809	4	,	,	PUNCT
eurjchem-2498	809	5	4	4	NUM
eurjchem-2498	809	6	,	,	PUNCT
eurjchem-2498	809	7	17–30	17–30	NUM
eurjchem-2498	809	8	.	.	PUNCT
eurjchem-2498	809	9	https://biochempress.com/files/iecmd_2003/	https://biochempress.com/files/iecmd_2003/	ADJ
eurjchem-2498	809	10	iecmd_2003_016.pdf	iecmd_2003_016.pdf	PROPN
eurjchem-2498	809	11	(	(	PUNCT
eurjchem-2498	809	12	accessed	access	VERB
eurjchem-2498	809	13	may	may	PROPN
eurjchem-2498	809	14	4	4	NUM
eurjchem-2498	809	15	,	,	PUNCT
eurjchem-2498	809	16	2023	2023	NUM
eurjchem-2498	809	17	)	)	PUNCT
eurjchem-2498	809	18	.	.	PUNCT
eurjchem-2498	810	1	[	[	X
eurjchem-2498	810	2	65	65	NUM
eurjchem-2498	810	3	]	]	PUNCT
eurjchem-2498	810	4	.	.	PUNCT
eurjchem-2498	811	1	politzer	politzer	NOUN
eurjchem-2498	811	2	,	,	PUNCT
eurjchem-2498	811	3	p.	p.	NOUN
eurjchem-2498	811	4	;	;	PUNCT
eurjchem-2498	811	5	concha	concha	PROPN
eurjchem-2498	811	6	,	,	PUNCT
eurjchem-2498	811	7	m.	m.	PROPN
eurjchem-2498	811	8	c.	c.	PROPN
eurjchem-2498	811	9	;	;	PUNCT
eurjchem-2498	811	10	murray	murray	PROPN
eurjchem-2498	811	11	,	,	PUNCT
eurjchem-2498	811	12	j.	j.	PROPN
eurjchem-2498	811	13	s.	s.	PROPN
eurjchem-2498	811	14	density	density	PROPN
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eurjchem-2498	811	17	of	of	ADP
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eurjchem-2498	811	19	of	of	ADP
eurjchem-2498	811	20	dimethylnitramine	dimethylnitramine	ADJ
eurjchem-2498	811	21	.	.	PUNCT
eurjchem-2498	812	1	int	int	NOUN
eurjchem-2498	812	2	.	.	PUNCT
eurjchem-2498	813	1	j.	j.	PROPN
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eurjchem-2498	813	3	chem	chem	NOUN
eurjchem-2498	813	4	.	.	PUNCT
eurjchem-2498	814	1	2000	2000	NUM
eurjchem-2498	814	2	,	,	PUNCT
eurjchem-2498	814	3	80	80	NUM
eurjchem-2498	814	4	,	,	PUNCT
eurjchem-2498	814	5	184	184	NUM
eurjchem-2498	814	6	–	–	SYM
eurjchem-2498	814	7	192	192	NUM
eurjchem-2498	814	8	.	.	PUNCT
eurjchem-2498	815	1	[	[	X
eurjchem-2498	815	2	66	66	NUM
eurjchem-2498	815	3	]	]	PUNCT
eurjchem-2498	815	4	.	.	PUNCT
eurjchem-2498	816	1	rashid	rashid	PROPN
eurjchem-2498	816	2	,	,	PUNCT
eurjchem-2498	816	3	m.	m.	NOUN
eurjchem-2498	816	4	a.	a.	NOUN
eurjchem-2498	816	5	m.	m.	NOUN
eurjchem-2498	816	6	;	;	PUNCT
eurjchem-2498	816	7	hayati	hayati	NOUN
eurjchem-2498	816	8	,	,	PUNCT
eurjchem-2498	816	9	d.	d.	PROPN
eurjchem-2498	816	10	;	;	PUNCT
eurjchem-2498	816	11	kwak	kwak	PROPN
eurjchem-2498	816	12	,	,	PUNCT
eurjchem-2498	816	13	k.	k.	PROPN
eurjchem-2498	816	14	;	;	PUNCT
eurjchem-2498	816	15	hong	hong	PROPN
eurjchem-2498	816	16	,	,	PUNCT
eurjchem-2498	816	17	j.	j.	PROPN
eurjchem-2498	816	18	theoretical	theoretical	ADJ
eurjchem-2498	816	19	investigation	investigation	NOUN
eurjchem-2498	816	20	of	of	ADP
eurjchem-2498	816	21	azobenzene	azobenzene	NOUN
eurjchem-2498	816	22	-	-	PUNCT
eurjchem-2498	816	23	based	base	VERB
eurjchem-2498	816	24	photochromic	photochromic	ADJ
eurjchem-2498	816	25	dyes	dye	NOUN
eurjchem-2498	816	26	for	for	ADP
eurjchem-2498	816	27	dye	dye	NOUN
eurjchem-2498	816	28	-	-	PUNCT
eurjchem-2498	816	29	sensitized	sensitize	VERB
eurjchem-2498	816	30	solar	solar	ADJ
eurjchem-2498	816	31	cells	cell	NOUN
eurjchem-2498	816	32	.	.	PUNCT
eurjchem-2498	817	1	nanomaterials	nanomaterial	NOUN
eurjchem-2498	817	2	(	(	PUNCT
eurjchem-2498	817	3	basel	basel	PROPN
eurjchem-2498	817	4	)	)	PUNCT
eurjchem-2498	817	5	2020	2020	NUM
eurjchem-2498	817	6	,	,	PUNCT
eurjchem-2498	817	7	10	10	NUM
eurjchem-2498	817	8	,	,	PUNCT
eurjchem-2498	817	9	914–937	914–937	NUM
eurjchem-2498	817	10	.	.	PUNCT
eurjchem-2498	818	1	[	[	X
eurjchem-2498	818	2	67	67	NUM
eurjchem-2498	818	3	]	]	PUNCT
eurjchem-2498	818	4	.	.	PUNCT
eurjchem-2498	819	1	joshi	joshi	PROPN
eurjchem-2498	819	2	,	,	PUNCT
eurjchem-2498	819	3	b.	b.	PROPN
eurjchem-2498	819	4	d.	d.	PROPN
eurjchem-2498	819	5	chemical	chemical	PROPN
eurjchem-2498	819	6	reactivity	reactivity	NOUN
eurjchem-2498	819	7	,	,	PUNCT
eurjchem-2498	819	8	dipole	dipole	NOUN
eurjchem-2498	819	9	moment	moment	NOUN
eurjchem-2498	819	10	and	and	CCONJ
eurjchem-2498	819	11	first	first	ADJ
eurjchem-2498	819	12	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2498	819	13	of	of	ADP
eurjchem-2498	819	14	aristolochic	aristolochic	ADJ
eurjchem-2498	819	15	acid	acid	NOUN
eurjchem-2498	819	16	i.	i.	PROPN
eurjchem-2498	819	17	j.	j.	PROPN
eurjchem-2498	819	18	inst	inst	PROPN
eurjchem-2498	819	19	.	.	PUNCT
eurjchem-2498	820	1	sci	sci	PROPN
eurjchem-2498	820	2	.	.	PROPN
eurjchem-2498	820	3	technol	technol	PROPN
eurjchem-2498	820	4	.	.	PROPN
eurjchem-2498	820	5	2016	2016	NUM
eurjchem-2498	820	6	,	,	PUNCT
eurjchem-2498	820	7	21	21	NUM
eurjchem-2498	820	8	,	,	PUNCT
eurjchem-2498	820	9	1–9	1–9	NOUN
eurjchem-2498	820	10	.	.	PUNCT
eurjchem-2498	821	1	[	[	X
eurjchem-2498	821	2	68	68	NUM
eurjchem-2498	821	3	]	]	PUNCT
eurjchem-2498	821	4	.	.	PUNCT
eurjchem-2498	822	1	pathak	pathak	PROPN
eurjchem-2498	822	2	,	,	PUNCT
eurjchem-2498	822	3	s.	s.	PROPN
eurjchem-2498	822	4	k.	k.	PROPN
eurjchem-2498	822	5	;	;	PUNCT
eurjchem-2498	822	6	srivastava	srivastava	PROPN
eurjchem-2498	822	7	,	,	PUNCT
eurjchem-2498	822	8	r.	r.	PROPN
eurjchem-2498	822	9	;	;	PUNCT
eurjchem-2498	822	10	sachan	sachan	NOUN
eurjchem-2498	822	11	,	,	PUNCT
eurjchem-2498	822	12	a.	a.	PROPN
eurjchem-2498	822	13	k.	k.	PROPN
eurjchem-2498	822	14	;	;	PUNCT
eurjchem-2498	822	15	prasad	prasad	PROPN
eurjchem-2498	822	16	,	,	PUNCT
eurjchem-2498	822	17	o.	o.	PROPN
eurjchem-2498	822	18	;	;	PUNCT
eurjchem-2498	822	19	sinha	sinha	PROPN
eurjchem-2498	822	20	,	,	PUNCT
eurjchem-2498	822	21	l.	l.	PROPN
eurjchem-2498	822	22	;	;	PUNCT
eurjchem-2498	822	23	asiri	asiri	PROPN
eurjchem-2498	822	24	,	,	PUNCT
eurjchem-2498	822	25	a.	a.	NOUN
eurjchem-2498	822	26	m.	m.	NOUN
eurjchem-2498	822	27	;	;	PUNCT
eurjchem-2498	822	28	karabacak	karabacak	PROPN
eurjchem-2498	822	29	,	,	PUNCT
eurjchem-2498	822	30	m.	m.	NOUN
eurjchem-2498	822	31	experimental	experimental	NOUN
eurjchem-2498	822	32	(	(	PUNCT
eurjchem-2498	822	33	ft	ft	NOUN
eurjchem-2498	822	34	-	-	PUNCT
eurjchem-2498	822	35	ir	ir	NOUN
eurjchem-2498	822	36	,	,	PUNCT
eurjchem-2498	822	37	ft	ft	NOUN
eurjchem-2498	822	38	-	-	PUNCT
eurjchem-2498	822	39	raman	raman	NOUN
eurjchem-2498	822	40	,	,	PUNCT
eurjchem-2498	822	41	uv	uv	NOUN
eurjchem-2498	822	42	and	and	CCONJ
eurjchem-2498	822	43	nmr	nmr	NOUN
eurjchem-2498	822	44	)	)	PUNCT
eurjchem-2498	822	45	and	and	CCONJ
eurjchem-2498	822	46	quantum	quantum	ADJ
eurjchem-2498	822	47	chemical	chemical	NOUN
eurjchem-2498	822	48	studies	study	NOUN
eurjchem-2498	822	49	on	on	ADP
eurjchem-2498	822	50	molecular	molecular	ADJ
eurjchem-2498	822	51	structure	structure	NOUN
eurjchem-2498	822	52	,	,	PUNCT
eurjchem-2498	822	53	spectroscopic	spectroscopic	ADJ
eurjchem-2498	822	54	analysis	analysis	NOUN
eurjchem-2498	822	55	,	,	PUNCT
eurjchem-2498	822	56	nlo	nlo	PROPN
eurjchem-2498	822	57	,	,	PUNCT
eurjchem-2498	822	58	nbo	nbo	NOUN
eurjchem-2498	822	59	and	and	CCONJ
eurjchem-2498	822	60	reactivity	reactivity	NOUN
eurjchem-2498	822	61	descriptors	descriptor	NOUN
eurjchem-2498	822	62	of	of	ADP
eurjchem-2498	822	63	3,5	3,5	NUM
eurjchem-2498	822	64	-	-	PUNCT
eurjchem-2498	822	65	difluoroaniline	difluoroaniline	NOUN
eurjchem-2498	822	66	.	.	PUNCT
eurjchem-2498	823	1	spectrochim	spectrochim	PROPN
eurjchem-2498	823	2	.	.	PUNCT
eurjchem-2498	824	1	acta	acta	PROPN
eurjchem-2498	824	2	a	a	DET
eurjchem-2498	824	3	mol	mol	PROPN
eurjchem-2498	824	4	.	.	PROPN
eurjchem-2498	824	5	biomol	biomol	PROPN
eurjchem-2498	824	6	.	.	PUNCT
eurjchem-2498	825	1	spectrosc	spectrosc	PROPN
eurjchem-2498	825	2	.	.	PUNCT
eurjchem-2498	826	1	2015	2015	NUM
eurjchem-2498	826	2	,	,	PUNCT
eurjchem-2498	826	3	135	135	NUM
eurjchem-2498	826	4	,	,	PUNCT
eurjchem-2498	826	5	283–295	283–295	NUM
eurjchem-2498	826	6	.	.	PUNCT
eurjchem-2498	827	1	[	[	X
eurjchem-2498	827	2	69	69	NUM
eurjchem-2498	827	3	]	]	PUNCT
eurjchem-2498	827	4	.	.	PUNCT
eurjchem-2498	828	1	obot	obot	PROPN
eurjchem-2498	828	2	,	,	PUNCT
eurjchem-2498	828	3	i.	i.	PROPN
eurjchem-2498	828	4	b.	b.	PROPN
eurjchem-2498	828	5	;	;	PUNCT
eurjchem-2498	828	6	johnson	johnson	PROPN
eurjchem-2498	828	7	,	,	PUNCT
eurjchem-2498	828	8	a.	a.	PROPN
eurjchem-2498	828	9	s.	s.	PROPN
eurjchem-2498	828	10	ab	ab	PROPN
eurjchem-2498	828	11	initio	initio	PROPN
eurjchem-2498	828	12	,	,	PUNCT
eurjchem-2498	828	13	dft	dft	PROPN
eurjchem-2498	828	14	and	and	CCONJ
eurjchem-2498	828	15	td	td	ADJ
eurjchem-2498	828	16	-	-	PUNCT
eurjchem-2498	828	17	dft	dft	NOUN
eurjchem-2498	828	18	electronic	electronic	ADJ
eurjchem-2498	828	19	absorption	absorption	NOUN
eurjchem-2498	828	20	spectra	spectra	ADJ
eurjchem-2498	828	21	investigations	investigation	NOUN
eurjchem-2498	828	22	on	on	ADP
eurjchem-2498	828	23	.	.	PUNCT
eurjchem-2498	828	24	elixir	elixir	NOUN
eurjchem-2498	828	25	comp	comp	PROPN
eurjchem-2498	828	26	.	.	PUNCT
eurjchem-2498	828	27	chem	chem	PROPN
eurjchem-2498	828	28	.	.	PUNCT
eurjchem-2498	829	1	2012	2012	NUM
eurjchem-2498	829	2	,	,	PUNCT
eurjchem-2498	829	3	43	43	NUM
eurjchem-2498	829	4	,	,	PUNCT
eurjchem-2498	829	5	6658–6661	6658–6661	NUM
eurjchem-2498	829	6	.	.	PUNCT
eurjchem-2498	830	1	https://www.elixirpublishers.com/articles/	https://www.elixirpublishers.com/articles/	X
eurjchem-2498	830	2	1687775307_201202028.pdf	1687775307_201202028.pdf	NUM
eurjchem-2498	830	3	(	(	PUNCT
eurjchem-2498	830	4	accessed	access	VERB
eurjchem-2498	830	5	may	may	PROPN
eurjchem-2498	830	6	4	4	NUM
eurjchem-2498	830	7	,	,	PUNCT
eurjchem-2498	830	8	2023	2023	NUM
eurjchem-2498	830	9	)	)	PUNCT
eurjchem-2498	830	10	.	.	PUNCT
eurjchem-2498	831	1	[	[	X
eurjchem-2498	831	2	70	70	NUM
eurjchem-2498	831	3	]	]	PUNCT
eurjchem-2498	831	4	.	.	PUNCT
eurjchem-2498	832	1	issaoui	issaoui	NOUN
eurjchem-2498	832	2	,	,	PUNCT
eurjchem-2498	832	3	n.	n.	NOUN
eurjchem-2498	832	4	;	;	PUNCT
eurjchem-2498	832	5	ghalla	ghalla	PROPN
eurjchem-2498	832	6	,	,	PUNCT
eurjchem-2498	832	7	h.	h.	PROPN
eurjchem-2498	832	8	;	;	PUNCT
eurjchem-2498	832	9	muthu	muthu	PROPN
eurjchem-2498	832	10	,	,	PUNCT
eurjchem-2498	832	11	s.	s.	PROPN
eurjchem-2498	832	12	;	;	PUNCT
eurjchem-2498	832	13	flakus	flakus	PROPN
eurjchem-2498	832	14	,	,	PUNCT
eurjchem-2498	832	15	h.	h.	PROPN
eurjchem-2498	832	16	t.	t.	PROPN
eurjchem-2498	832	17	;	;	PUNCT
eurjchem-2498	832	18	oujia	oujia	PROPN
eurjchem-2498	832	19	,	,	PUNCT
eurjchem-2498	832	20	b.	b.	PROPN
eurjchem-2498	832	21	molecular	molecular	ADJ
eurjchem-2498	832	22	structure	structure	NOUN
eurjchem-2498	832	23	,	,	PUNCT
eurjchem-2498	832	24	vibrational	vibrational	ADJ
eurjchem-2498	832	25	spectra	spectra	NOUN
eurjchem-2498	832	26	,	,	PUNCT
eurjchem-2498	832	27	aim	aim	NOUN
eurjchem-2498	832	28	,	,	PUNCT
eurjchem-2498	832	29	homo	homo	NOUN
eurjchem-2498	832	30	–	–	PUNCT
eurjchem-2498	832	31	lumo	lumo	NOUN
eurjchem-2498	832	32	,	,	PUNCT
eurjchem-2498	832	33	nbo	nbo	INTJ
eurjchem-2498	832	34	,	,	PUNCT
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eurjchem-2498	832	36	,	,	PUNCT
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eurjchem-2498	832	38	order	order	NOUN
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eurjchem-2498	832	40	,	,	PUNCT
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eurjchem-2498	832	44	-	-	PUNCT
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eurjchem-2498	832	46	acid	acid	NOUN
eurjchem-2498	832	47	monomer	monomer	NOUN
eurjchem-2498	832	48	and	and	CCONJ
eurjchem-2498	832	49	dimer	dimer	NOUN
eurjchem-2498	832	50	by	by	ADP
eurjchem-2498	832	51	hartree	hartree	ADJ
eurjchem-2498	832	52	–	–	PUNCT
eurjchem-2498	832	53	fock	fock	ADJ
eurjchem-2498	832	54	and	and	CCONJ
eurjchem-2498	832	55	density	density	NOUN
eurjchem-2498	832	56	functional	functional	ADJ
eurjchem-2498	832	57	theory	theory	NOUN
eurjchem-2498	832	58	.	.	PUNCT
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eurjchem-2498	833	2	.	.	PUNCT
eurjchem-2498	834	1	acta	acta	PROPN
eurjchem-2498	834	2	a	a	DET
eurjchem-2498	834	3	mol	mol	PROPN
eurjchem-2498	834	4	.	.	PROPN
eurjchem-2498	834	5	biomol	biomol	PROPN
eurjchem-2498	834	6	.	.	PUNCT
eurjchem-2498	835	1	spectrosc	spectrosc	PROPN
eurjchem-2498	835	2	.	.	PUNCT
eurjchem-2498	836	1	2015	2015	NUM
eurjchem-2498	836	2	,	,	PUNCT
eurjchem-2498	836	3	136	136	NUM
eurjchem-2498	836	4	,	,	PUNCT
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eurjchem-2498	836	6	.	.	PUNCT
eurjchem-2498	837	1	copyright	copyright	NOUN
eurjchem-2498	837	2	©	©	ADP
eurjchem-2498	837	3	2024	2024	NUM
eurjchem-2498	837	4	by	by	ADP
eurjchem-2498	837	5	authors	author	NOUN
eurjchem-2498	837	6	.	.	PUNCT
eurjchem-2498	838	1	this	this	DET
eurjchem-2498	838	2	work	work	NOUN
eurjchem-2498	838	3	is	be	AUX
eurjchem-2498	838	4	published	publish	VERB
eurjchem-2498	838	5	and	and	CCONJ
eurjchem-2498	838	6	licensed	license	VERB
eurjchem-2498	838	7	by	by	ADP
eurjchem-2498	838	8	atlanta	atlanta	PROPN
eurjchem-2498	838	9	publishing	publishing	PROPN
eurjchem-2498	838	10	house	house	PROPN
eurjchem-2498	838	11	llc	llc	PROPN
eurjchem-2498	838	12	,	,	PUNCT
eurjchem-2498	838	13	atlanta	atlanta	PROPN
eurjchem-2498	838	14	,	,	PUNCT
eurjchem-2498	838	15	ga	ga	PROPN
eurjchem-2498	838	16	,	,	PUNCT
eurjchem-2498	838	17	usa	usa	PROPN
eurjchem-2498	838	18	.	.	PUNCT
eurjchem-2498	839	1	the	the	DET
eurjchem-2498	839	2	full	full	ADJ
eurjchem-2498	839	3	terms	term	NOUN
eurjchem-2498	839	4	of	of	ADP
eurjchem-2498	839	5	this	this	DET
eurjchem-2498	839	6	license	license	NOUN
eurjchem-2498	839	7	are	be	AUX
eurjchem-2498	839	8	available	available	ADJ
eurjchem-2498	839	9	at	at	ADP
eurjchem-2498	839	10	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2498	839	11	and	and	CCONJ
eurjchem-2498	839	12	incorporate	incorporate	VERB
eurjchem-2498	839	13	the	the	DET
eurjchem-2498	839	14	creative	creative	ADJ
eurjchem-2498	839	15	commons	common	NOUN
eurjchem-2498	839	16	attribution	attribution	NOUN
eurjchem-2498	839	17	-	-	PUNCT
eurjchem-2498	839	18	non	non	ADJ
eurjchem-2498	839	19	commercial	commercial	NOUN
eurjchem-2498	839	20	(	(	PUNCT
eurjchem-2498	839	21	cc	cc	NOUN
eurjchem-2498	839	22	by	by	ADP
eurjchem-2498	839	23	nc	nc	PROPN
eurjchem-2498	839	24	)	)	PUNCT
eurjchem-2498	839	25	(	(	PUNCT
eurjchem-2498	839	26	international	international	ADJ
eurjchem-2498	839	27	,	,	PUNCT
eurjchem-2498	839	28	v4.0	v4.0	NOUN
eurjchem-2498	839	29	)	)	PUNCT
eurjchem-2498	839	30	license	license	NOUN
eurjchem-2498	839	31	(	(	PUNCT
eurjchem-2498	839	32	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	NOUN
eurjchem-2498	839	33	)	)	PUNCT
eurjchem-2498	839	34	.	.	PUNCT
eurjchem-2498	840	1	by	by	ADP
eurjchem-2498	840	2	accessing	access	VERB
eurjchem-2498	840	3	the	the	DET
eurjchem-2498	840	4	work	work	NOUN
eurjchem-2498	840	5	,	,	PUNCT
eurjchem-2498	840	6	you	you	PRON
eurjchem-2498	840	7	hereby	hereby	ADV
eurjchem-2498	840	8	accept	accept	VERB
eurjchem-2498	840	9	the	the	DET
eurjchem-2498	840	10	terms	term	NOUN
eurjchem-2498	840	11	.	.	PUNCT
eurjchem-2498	841	1	this	this	PRON
eurjchem-2498	841	2	is	be	AUX
eurjchem-2498	841	3	an	an	DET
eurjchem-2498	841	4	open	open	ADJ
eurjchem-2498	841	5	access	access	NOUN
eurjchem-2498	841	6	article	article	NOUN
eurjchem-2498	841	7	distributed	distribute	VERB
eurjchem-2498	841	8	under	under	ADP
eurjchem-2498	841	9	the	the	DET
eurjchem-2498	841	10	terms	term	NOUN
eurjchem-2498	841	11	and	and	CCONJ
eurjchem-2498	841	12	conditions	condition	NOUN
eurjchem-2498	841	13	of	of	ADP
eurjchem-2498	841	14	the	the	DET
eurjchem-2498	841	15	cc	cc	PROPN
eurjchem-2498	841	16	by	by	ADP
eurjchem-2498	841	17	nc	nc	PROPN
eurjchem-2498	841	18	license	license	PROPN
eurjchem-2498	841	19	,	,	PUNCT
eurjchem-2498	841	20	which	which	PRON
eurjchem-2498	841	21	permits	permit	VERB
eurjchem-2498	841	22	unrestricted	unrestricted	ADJ
eurjchem-2498	841	23	non	non	ADJ
eurjchem-2498	841	24	-	-	ADJ
eurjchem-2498	841	25	commercial	commercial	ADJ
eurjchem-2498	841	26	use	use	NOUN
eurjchem-2498	841	27	,	,	PUNCT
eurjchem-2498	841	28	distribution	distribution	NOUN
eurjchem-2498	841	29	,	,	PUNCT
eurjchem-2498	841	30	and	and	CCONJ
eurjchem-2498	841	31	reproduction	reproduction	NOUN
eurjchem-2498	841	32	in	in	ADP
eurjchem-2498	841	33	any	any	DET
eurjchem-2498	841	34	medium	medium	NOUN
eurjchem-2498	841	35	,	,	PUNCT
eurjchem-2498	841	36	provided	provide	VERB
eurjchem-2498	841	37	the	the	DET
eurjchem-2498	841	38	original	original	ADJ
eurjchem-2498	841	39	work	work	NOUN
eurjchem-2498	841	40	is	be	AUX
eurjchem-2498	841	41	properly	properly	ADV
eurjchem-2498	841	42	cited	cite	VERB
eurjchem-2498	841	43	without	without	ADP
eurjchem-2498	841	44	any	any	DET
eurjchem-2498	841	45	further	further	ADJ
eurjchem-2498	841	46	permission	permission	NOUN
eurjchem-2498	841	47	from	from	ADP
eurjchem-2498	841	48	atlanta	atlanta	PROPN
eurjchem-2498	841	49	publishing	publishing	PROPN
eurjchem-2498	841	50	house	house	PROPN
eurjchem-2498	841	51	llc	llc	PROPN
eurjchem-2498	841	52	(	(	PUNCT
eurjchem-2498	841	53	european	european	PROPN
eurjchem-2498	841	54	journal	journal	PROPN
eurjchem-2498	841	55	of	of	ADP
eurjchem-2498	841	56	chemistry	chemistry	NOUN
eurjchem-2498	841	57	)	)	PUNCT
eurjchem-2498	841	58	.	.	PUNCT
eurjchem-2498	842	1	no	no	DET
eurjchem-2498	842	2	use	use	NOUN
eurjchem-2498	842	3	,	,	PUNCT
eurjchem-2498	842	4	distribution	distribution	NOUN
eurjchem-2498	842	5	,	,	PUNCT
eurjchem-2498	842	6	or	or	CCONJ
eurjchem-2498	842	7	reproduction	reproduction	NOUN
eurjchem-2498	842	8	is	be	AUX
eurjchem-2498	842	9	permitted	permit	VERB
eurjchem-2498	842	10	which	which	PRON
eurjchem-2498	842	11	does	do	AUX
eurjchem-2498	842	12	not	not	PART
eurjchem-2498	842	13	comply	comply	VERB
eurjchem-2498	842	14	with	with	ADP
eurjchem-2498	842	15	these	these	DET
eurjchem-2498	842	16	terms	term	NOUN
eurjchem-2498	842	17	.	.	PUNCT
eurjchem-2498	843	1	permissions	permission	NOUN
eurjchem-2498	843	2	for	for	ADP
eurjchem-2498	843	3	commercial	commercial	ADJ
eurjchem-2498	843	4	use	use	NOUN
eurjchem-2498	843	5	of	of	ADP
eurjchem-2498	843	6	this	this	DET
eurjchem-2498	843	7	work	work	NOUN
eurjchem-2498	843	8	beyond	beyond	ADP
eurjchem-2498	843	9	the	the	DET
eurjchem-2498	843	10	scope	scope	NOUN
eurjchem-2498	843	11	of	of	ADP
eurjchem-2498	843	12	the	the	DET
eurjchem-2498	843	13	license	license	NOUN
eurjchem-2498	843	14	(	(	PUNCT
eurjchem-2498	843	15	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2498	843	16	)	)	PUNCT
eurjchem-2498	843	17	are	be	AUX
eurjchem-2498	843	18	administered	administer	VERB
eurjchem-2498	843	19	by	by	ADP
eurjchem-2498	843	20	atlanta	atlanta	PROPN
eurjchem-2498	843	21	publishing	publishing	PROPN
eurjchem-2498	843	22	house	house	PROPN
eurjchem-2498	843	23	llc	llc	PROPN
eurjchem-2498	843	24	(	(	PUNCT
eurjchem-2498	843	25	european	european	PROPN
eurjchem-2498	843	26	journal	journal	PROPN
eurjchem-2498	843	27	of	of	ADP
eurjchem-2498	843	28	chemistry	chemistry	NOUN
eurjchem-2498	843	29	)	)	PUNCT
eurjchem-2498	843	30	.	.	PUNCT
eurjchem-2498	844	1	https://biochempress.com/files/iecmd_2003/%20iecmd_2003_016.pdf	https://biochempress.com/files/iecmd_2003/%20iecmd_2003_016.pdf	NOUN
eurjchem-2498	844	2	https://biochempress.com/files/iecmd_2003/%20iecmd_2003_016.pdf	https://biochempress.com/files/iecmd_2003/%20iecmd_2003_016.pdf	NOUN
eurjchem-2498	844	3	https://www.elixirpublishers.com/articles/%201687775307_201202028.pdf	https://www.elixirpublishers.com/articles/%201687775307_201202028.pdf	NOUN
eurjchem-2498	844	4	https://www.elixirpublishers.com/articles/%201687775307_201202028.pdf	https://www.elixirpublishers.com/articles/%201687775307_201202028.pdf	NOUN
eurjchem-2498	844	5	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	VERB
eurjchem-2498	844	6	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-2498	844	7	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/terms	NOUN
eurjchem-2498	844	8	1	1	NUM
eurjchem-2498	844	9	.	.	PUNCT
eurjchem-2498	844	10	introduction	introduction	NOUN
eurjchem-2498	844	11	2	2	NUM
eurjchem-2498	844	12	.	.	PUNCT
eurjchem-2498	844	13	experimental	experimental	ADJ
eurjchem-2498	844	14	2.1	2.1	NUM
eurjchem-2498	844	15	.	.	PUNCT
eurjchem-2498	845	1	synthesis	synthesis	NOUN
eurjchem-2498	845	2	of	of	ADP
eurjchem-2498	845	3	n-(4-((4hydroxy-3-((2	n-(4-((4hydroxy-3-((2	NOUN
eurjchem-2498	845	4	-	-	PUNCT
eurjchem-2498	845	5	phenylhydrazono	phenylhydrazono	NOUN
eurjchem-2498	845	6	)	)	PUNCT
eurjchem-2498	845	7	methyl)phenyl)diazenyl)phenyl)acetamide	methyl)phenyl)diazenyl)phenyl)acetamide	ADP
eurjchem-2498	845	8	(	(	PUNCT
eurjchem-2498	845	9	2	2	NUM
eurjchem-2498	845	10	)	)	PUNCT
eurjchem-2498	845	11	2.2	2.2	NUM
eurjchem-2498	845	12	.	.	PUNCT
eurjchem-2498	846	1	computational	computational	ADJ
eurjchem-2498	846	2	details	detail	NOUN
eurjchem-2498	846	3	3	3	NUM
eurjchem-2498	846	4	.	.	NOUN
eurjchem-2498	846	5	results	result	NOUN
eurjchem-2498	846	6	and	and	CCONJ
eurjchem-2498	846	7	discussion	discussion	NOUN
eurjchem-2498	846	8	3.1	3.1	NUM
eurjchem-2498	846	9	.	.	PUNCT
eurjchem-2498	846	10	optimized	optimize	VERB
eurjchem-2498	846	11	parameters	parameter	NOUN
eurjchem-2498	846	12	3.2	3.2	NUM
eurjchem-2498	846	13	.	.	PUNCT
eurjchem-2498	847	1	vibrational	vibrational	ADJ
eurjchem-2498	847	2	assignments	assignment	NOUN
eurjchem-2498	847	3	3.3	3.3	NUM
eurjchem-2498	847	4	.	.	PUNCT
eurjchem-2498	848	1	uv	uv	NOUN
eurjchem-2498	848	2	-	-	PUNCT
eurjchem-2498	848	3	vis	vis	X
eurjchem-2498	848	4	data	datum	NOUN
eurjchem-2498	848	5	and	and	CCONJ
eurjchem-2498	848	6	fmo	fmo	NOUN
eurjchem-2498	848	7	analysis	analysis	NOUN
eurjchem-2498	848	8	3.4	3.4	NUM
eurjchem-2498	848	9	.	.	PUNCT
eurjchem-2498	849	1	solvent	solvent	ADJ
eurjchem-2498	849	2	effect	effect	NOUN
eurjchem-2498	849	3	3.5	3.5	NUM
eurjchem-2498	849	4	.	.	PUNCT
eurjchem-2498	850	1	mulliken	mulliken	NOUN
eurjchem-2498	850	2	charges	charge	NOUN
eurjchem-2498	850	3	3.6	3.6	NUM
eurjchem-2498	850	4	.	.	PUNCT
eurjchem-2498	851	1	nbo	nbo	PROPN
eurjchem-2498	851	2	analysis	analysis	NOUN
eurjchem-2498	851	3	3.7	3.7	NUM
eurjchem-2498	851	4	.	.	PUNCT
eurjchem-2498	852	1	dihedral	dihedral	ADJ
eurjchem-2498	852	2	angle	angle	PROPN
eurjchem-2498	852	3	studies	study	NOUN
eurjchem-2498	852	4	3.7.1	3.7.1	NUM
eurjchem-2498	852	5	.	.	PUNCT
eurjchem-2498	853	1	potential	potential	ADJ
eurjchem-2498	853	2	energy	energy	NOUN
eurjchem-2498	853	3	3.7.2	3.7.2	NUM
eurjchem-2498	853	4	.	.	PUNCT
eurjchem-2498	854	1	dipole	dipole	NOUN
eurjchem-2498	854	2	moment	moment	NOUN
eurjchem-2498	854	3	3.7.3	3.7.3	NUM
eurjchem-2498	854	4	.	.	PUNCT
eurjchem-2498	855	1	homo	homo	NOUN
eurjchem-2498	855	2	-	-	PUNCT
eurjchem-2498	855	3	lumo	lumo	NOUN
eurjchem-2498	855	4	,	,	PUNCT
eurjchem-2498	855	5	hardness	hardness	INTJ
eurjchem-2498	855	6	,	,	PUNCT
eurjchem-2498	855	7	electrophilicity	electrophilicity	NOUN
eurjchem-2498	855	8	3.8	3.8	NUM
eurjchem-2498	855	9	.	.	PUNCT
eurjchem-2498	856	1	fmo	fmo	NOUN
eurjchem-2498	856	2	properties	property	NOUN
eurjchem-2498	856	3	3.9	3.9	NUM
eurjchem-2498	856	4	.	.	PUNCT
eurjchem-2498	856	5	aromaticity	aromaticity	NOUN
eurjchem-2498	856	6	indices	indice	VERB
eurjchem-2498	856	7	3.10	3.10	NUM
eurjchem-2498	856	8	.	.	PUNCT
eurjchem-2498	857	1	homa	homa	PROPN
eurjchem-2498	857	2	3.11	3.11	NUM
eurjchem-2498	857	3	.	.	PUNCT
eurjchem-2498	858	1	fukui	fukui	PROPN
eurjchem-2498	858	2	function	function	PROPN
eurjchem-2498	858	3	3.12	3.12	NUM
eurjchem-2498	858	4	.	.	PUNCT
eurjchem-2498	859	1	mep	mep	PROPN
eurjchem-2498	859	2	3.13	3.13	NUM
eurjchem-2498	859	3	.	.	PUNCT
eurjchem-2498	860	1	nmr	nmr	NOUN
eurjchem-2498	860	2	analysis	analysis	NOUN
eurjchem-2498	860	3	3.14	3.14	NUM
eurjchem-2498	860	4	.	.	PUNCT
eurjchem-2498	861	1	nlo	nlo	PROPN
eurjchem-2498	861	2	properties	property	NOUN
eurjchem-2498	861	3	3.15	3.15	NUM
eurjchem-2498	861	4	.	.	PUNCT
eurjchem-2498	862	1	thermodynamic	thermodynamic	ADJ
eurjchem-2498	862	2	properties	property	NOUN
eurjchem-2498	862	3	4	4	NUM
eurjchem-2498	862	4	.	.	PUNCT
eurjchem-2498	863	1	conclusion	conclusion	NOUN
eurjchem-2498	863	2	acknowledgements	acknowledgement	NOUN
eurjchem-2498	863	3	disclosure	disclosure	NOUN
eurjchem-2498	863	4	statement	statement	NOUN
eurjchem-2498	863	5	credit	credit	NOUN
eurjchem-2498	863	6	authorship	authorship	NOUN
eurjchem-2498	863	7	contribution	contribution	NOUN
eurjchem-2498	863	8	statement	statement	NOUN
eurjchem-2498	863	9	orcid	orcid	NOUN
eurjchem-2498	863	10	and	and	CCONJ
eurjchem-2498	863	11	email	email	NOUN
eurjchem-2498	863	12	references	reference	NOUN
eurjchem-2498	863	13	printfield10	printfield10	PROPN
eurjchem-2498	863	14	:	:	PUNCT
eurjchem-2498	863	15	printfield11	printfield11	NOUN
eurjchem-2498	863	16	:	:	PUNCT
eurjchem-2498	863	17	printfield12	printfield12	PROPN
eurjchem-2498	863	18	:	:	PUNCT
eurjchem-2498	863	19	printfield13	printfield13	VERB
eurjchem-2498	863	20	:	:	PUNCT
eurjchem-2498	863	21	printfield14	printfield14	NOUN
eurjchem-2498	863	22	:	:	PUNCT
eurjchem-2498	863	23	printfield15	printfield15	NOUN
eurjchem-2498	863	24	:	:	PUNCT
eurjchem-2498	863	25	printfield16	printfield16	ADJ
eurjchem-2498	863	26	:	:	PUNCT
eurjchem-2498	863	27	printfield17	printfield17	NOUN
eurjchem-2498	863	28	:	:	PUNCT
eurjchem-2498	863	29	printfield18	printfield18	NOUN
eurjchem-2498	863	30	:	:	PUNCT
eurjchem-2498	863	31	printfield19	printfield19	NOUN
eurjchem-2498	863	32	:	:	PUNCT
eurjchem-2498	863	33	printfield110	printfield110	PROPN
eurjchem-2498	863	34	:	:	PUNCT
eurjchem-2498	863	35	printfield111	printfield111	PROPN
eurjchem-2498	863	36	:	:	PUNCT
eurjchem-2498	863	37	printfield112	printfield112	PROPN
eurjchem-2498	863	38	:	:	PUNCT
eurjchem-2498	863	39	printfield113	printfield113	ADJ
eurjchem-2498	863	40	:	:	PUNCT
eurjchem-2498	863	41	printfield114	printfield114	PROPN
eurjchem-2498	863	42	:	:	PUNCT
eurjchem-2498	863	43	printfield115	printfield115	PROPN
eurjchem-2498	863	44	:	:	PUNCT
eurjchem-2498	863	45	printfield116	printfield116	PROPN
eurjchem-2498	863	46	:	:	PUNCT
eurjchem-2498	863	47	printfield117	printfield117	ADV
eurjchem-2498	863	48	:	:	PUNCT
eurjchem-2498	863	49	printfield118	printfield118	ADJ
eurjchem-2498	863	50	:	:	PUNCT
eurjchem-2498	863	51	printfield119	printfield119	PROPN
eurjchem-2498	863	52	:	:	PUNCT
eurjchem-2498	863	53	printfield120	printfield120	PROPN
eurjchem-2498	863	54	:	:	PUNCT
eurjchem-2498	863	55	printfield20	printfield20	PROPN
eurjchem-2498	863	56	:	:	PUNCT
eurjchem-2498	863	57	printfield21	printfield21	ADJ
eurjchem-2498	863	58	:	:	PUNCT
eurjchem-2498	863	59	printfield22	printfield22	NOUN
eurjchem-2498	863	60	:	:	PUNCT
eurjchem-2498	863	61	printfield23	printfield23	NOUN
eurjchem-2498	863	62	:	:	PUNCT
eurjchem-2498	863	63	printfield24	printfield24	NOUN
eurjchem-2498	863	64	:	:	PUNCT
eurjchem-2498	863	65	printfield25	printfield25	NOUN
eurjchem-2498	863	66	:	:	PUNCT
eurjchem-2498	863	67	printfield26	printfield26	ADJ
eurjchem-2498	863	68	:	:	PUNCT
eurjchem-2498	863	69	printfield27	printfield27	NOUN
eurjchem-2498	863	70	:	:	PUNCT
eurjchem-2498	863	71	printfield28	printfield28	NOUN
eurjchem-2498	863	72	:	:	PUNCT
eurjchem-2498	863	73	printfield29	printfield29	ADV
eurjchem-2498	863	74	:	:	PUNCT
eurjchem-2498	863	75	printfield210	printfield210	PROPN
eurjchem-2498	863	76	:	:	PUNCT
eurjchem-2498	863	77	printfield211	printfield211	PROPN
eurjchem-2498	863	78	:	:	PUNCT
eurjchem-2498	863	79	printfield212	printfield212	PROPN
eurjchem-2498	863	80	:	:	PUNCT
eurjchem-2498	863	81	printfield213	printfield213	PROPN
eurjchem-2498	863	82	:	:	PUNCT
eurjchem-2498	863	83	printfield214	printfield214	PROPN
eurjchem-2498	863	84	:	:	PUNCT
eurjchem-2498	863	85	printfield215	printfield215	PROPN
eurjchem-2498	863	86	:	:	PUNCT
eurjchem-2498	863	87	printfield216	printfield216	NUM
eurjchem-2498	863	88	:	:	PUNCT
eurjchem-2498	863	89	printfield217	printfield217	NOUN
eurjchem-2498	863	90	:	:	PUNCT
eurjchem-2498	863	91	printfield218	printfield218	NOUN
eurjchem-2498	863	92	:	:	PUNCT
eurjchem-2498	863	93	printfield219	printfield219	NOUN
eurjchem-2498	863	94	:	:	PUNCT
eurjchem-2498	863	95	printfield220	printfield220	ADJ
eurjchem-2498	863	96	:	:	PUNCT