id	sid	tid	token	lemma	pos
eurjchem-2028	1	1	synthesis	synthesis	NOUN
eurjchem-2028	1	2	,	,	PUNCT
eurjchem-2028	1	3	x	x	NOUN
eurjchem-2028	1	4	-	-	NOUN
eurjchem-2028	1	5	ray	ray	NOUN
eurjchem-2028	1	6	structure	structure	NOUN
eurjchem-2028	1	7	,	,	PUNCT
eurjchem-2028	1	8	and	and	CCONJ
eurjchem-2028	1	9	dft	dft	VERB
eurjchem-2028	1	10	analysis	analysis	NOUN
eurjchem-2028	1	11	of	of	ADP
eurjchem-2028	1	12	a	a	DET
eurjchem-2028	1	13	binary	binary	ADJ
eurjchem-2028	1	14	complex	complex	NOUN
eurjchem-2028	1	15	of	of	ADP
eurjchem-2028	1	16	3,3'-[(3	3,3'-[(3	NUM
eurjchem-2028	1	17	-	-	PUNCT
eurjchem-2028	1	18	benzimidazolyl)methylene]bis(4	benzimidazolyl)methylene]bis(4	NOUN
eurjchem-2028	1	19	-	-	PUNCT
eurjchem-2028	1	20	hydroxy-2h-1	hydroxy-2h-1	NOUN
eurjchem-2028	1	21	-	-	PUNCT
eurjchem-2028	1	22	benzopyran-2	benzopyran-2	NOUN
eurjchem-2028	1	23	-	-	PUNCT
eurjchem-2028	1	24	one	one	NUM
eurjchem-2028	1	25	):	):	PUNCT
eurjchem-2028	1	26	5	5	NUM
eurjchem-2028	1	27	-	-	PUNCT
eurjchem-2028	1	28	methyl-1,3	methyl-1,3	ADJ
eurjchem-2028	1	29	-	-	PUNCT
eurjchem-2028	1	30	thiazol-2(3h)-imine	thiazol-2(3h)-imine	ADJ
eurjchem-2028	1	31	european	european	PROPN
eurjchem-2028	1	32	journal	journal	PROPN
eurjchem-2028	1	33	of	of	ADP
eurjchem-2028	1	34	chemistry	chemistry	NOUN
eurjchem-2028	1	35	11	11	NUM
eurjchem-2028	1	36	(	(	PUNCT
eurjchem-2028	1	37	4	4	NUM
eurjchem-2028	1	38	)	)	PUNCT
eurjchem-2028	1	39	(	(	PUNCT
eurjchem-2028	1	40	2020	2020	NUM
eurjchem-2028	1	41	)	)	PUNCT
eurjchem-2028	1	42	324	324	NUM
eurjchem-2028	1	43	-	-	SYM
eurjchem-2028	1	44	333	333	NUM
eurjchem-2028	1	45	european	european	ADJ
eurjchem-2028	1	46	journal	journal	NOUN
eurjchem-2028	1	47	of	of	ADP
eurjchem-2028	1	48	chemistry	chemistry	NOUN
eurjchem-2028	1	49	issn	issn	VERB
eurjchem-2028	1	50	2153	2153	NUM
eurjchem-2028	1	51	-	-	SYM
eurjchem-2028	1	52	2249	2249	NUM
eurjchem-2028	1	53	(	(	PUNCT
eurjchem-2028	1	54	print	print	NOUN
eurjchem-2028	1	55	)	)	PUNCT
eurjchem-2028	1	56	/	/	PUNCT
eurjchem-2028	1	57	issn	issn	PROPN
eurjchem-2028	1	58	2153	2153	NUM
eurjchem-2028	1	59	-	-	SYM
eurjchem-2028	1	60	2257	2257	NUM
eurjchem-2028	1	61	(	(	PUNCT
eurjchem-2028	1	62	online	online	ADJ
eurjchem-2028	1	63	)	)	PUNCT
eurjchem-2028	1	64	–	–	PUNCT
eurjchem-2028	2	1	copyright	copyright	NOUN
eurjchem-2028	2	2	©	©	PROPN
eurjchem-2028	2	3	2020	2020	NUM
eurjchem-2028	2	4	the	the	DET
eurjchem-2028	2	5	authors	author	NOUN
eurjchem-2028	2	6	–	–	PUNCT
eurjchem-2028	2	7	atlanta	atlanta	PROPN
eurjchem-2028	2	8	publishing	publishing	PROPN
eurjchem-2028	2	9	house	house	PROPN
eurjchem-2028	2	10	llc	llc	PROPN
eurjchem-2028	2	11	–	–	PUNCT
eurjchem-2028	2	12	printed	print	VERB
eurjchem-2028	2	13	in	in	ADP
eurjchem-2028	2	14	the	the	DET
eurjchem-2028	2	15	usa	usa	PROPN
eurjchem-2028	2	16	.	.	PUNCT
eurjchem-2028	3	1	this	this	DET
eurjchem-2028	3	2	work	work	NOUN
eurjchem-2028	3	3	is	be	AUX
eurjchem-2028	3	4	published	publish	VERB
eurjchem-2028	3	5	and	and	CCONJ
eurjchem-2028	3	6	licensed	license	VERB
eurjchem-2028	3	7	by	by	ADP
eurjchem-2028	3	8	atlanta	atlanta	PROPN
eurjchem-2028	3	9	publishing	publishing	PROPN
eurjchem-2028	3	10	house	house	PROPN
eurjchem-2028	3	11	llc	llc	PROPN
eurjchem-2028	3	12	–	–	PUNCT
eurjchem-2028	3	13	cc	cc	PROPN
eurjchem-2028	3	14	by	by	ADP
eurjchem-2028	3	15	nc	nc	PROPN
eurjchem-2028	3	16	–	–	PUNCT
eurjchem-2028	3	17	some	some	DET
eurjchem-2028	3	18	rights	right	NOUN
eurjchem-2028	3	19	reserved	reserve	VERB
eurjchem-2028	3	20	.	.	PUNCT
eurjchem-2028	4	1	http://dx.doi.org/10.5155/eurjchem.11.4.324-333.2028	http://dx.doi.org/10.5155/eurjchem.11.4.324-333.2028	PROPN
eurjchem-2028	4	2	european	european	PROPN
eurjchem-2028	4	3	journal	journal	PROPN
eurjchem-2028	4	4	of	of	ADP
eurjchem-2028	4	5	chemistry	chemistry	NOUN
eurjchem-2028	4	6	view	view	NOUN
eurjchem-2028	4	7	journal	journal	PROPN
eurjchem-2028	4	8	online	online	PROPN
eurjchem-2028	4	9	view	view	NOUN
eurjchem-2028	4	10	article	article	NOUN
eurjchem-2028	4	11	online	online	ADJ
eurjchem-2028	4	12	synthesis	synthesis	NOUN
eurjchem-2028	4	13	,	,	PUNCT
eurjchem-2028	4	14	x	x	NOUN
eurjchem-2028	4	15	-	-	NOUN
eurjchem-2028	4	16	ray	ray	NOUN
eurjchem-2028	4	17	structure	structure	NOUN
eurjchem-2028	4	18	,	,	PUNCT
eurjchem-2028	4	19	and	and	CCONJ
eurjchem-2028	4	20	dft	dft	VERB
eurjchem-2028	4	21	analysis	analysis	NOUN
eurjchem-2028	4	22	of	of	ADP
eurjchem-2028	4	23	a	a	DET
eurjchem-2028	4	24	binary	binary	ADJ
eurjchem-2028	4	25	complex	complex	NOUN
eurjchem-2028	4	26	of	of	ADP
eurjchem-2028	4	27	3,3'-[(3	3,3'-[(3	NUM
eurjchem-2028	4	28	-	-	PUNCT
eurjchem-2028	4	29	benzimidazolyl)methylene]bis(4	benzimidazolyl)methylene]bis(4	NOUN
eurjchem-2028	4	30	-	-	PUNCT
eurjchem-2028	4	31	hydroxy-2h-1	hydroxy-2h-1	NOUN
eurjchem-2028	4	32	-	-	PUNCT
eurjchem-2028	4	33	benzopyran-2	benzopyran-2	NOUN
eurjchem-2028	4	34	-	-	PUNCT
eurjchem-2028	4	35	one	one	NUM
eurjchem-2028	4	36	):	):	PUNCT
eurjchem-2028	4	37	5	5	NUM
eurjchem-2028	4	38	-	-	PUNCT
eurjchem-2028	4	39	methyl-1,3	methyl-1,3	ADJ
eurjchem-2028	4	40	-	-	PUNCT
eurjchem-2028	4	41	thiazol-2(3h)-imine	thiazol-2(3h)-imine	NOUN
eurjchem-2028	4	42	gopal	gopal	PROPN
eurjchem-2028	4	43	sharma	sharma	PROPN
eurjchem-2028	4	44	1	1	NUM
eurjchem-2028	4	45	,	,	PUNCT
eurjchem-2028	4	46	anshul	anshul	NOUN
eurjchem-2028	4	47	uppal	uppal	PROPN
eurjchem-2028	4	48	1	1	NUM
eurjchem-2028	4	49	,	,	PUNCT
eurjchem-2028	4	50	sumati	sumati	ADJ
eurjchem-2028	4	51	anthal	anthal	NOUN
eurjchem-2028	4	52	1	1	NUM
eurjchem-2028	4	53	,	,	PUNCT
eurjchem-2028	4	54	madhukar	madhukar	NOUN
eurjchem-2028	4	55	baburao	baburao	NOUN
eurjchem-2028	4	56	deshmukh	deshmukh	PROPN
eurjchem-2028	4	57	2	2	NUM
eurjchem-2028	4	58	,	,	PUNCT
eurjchem-2028	4	59	priyanka	priyanka	PROPN
eurjchem-2028	4	60	pandharinath	pandharinath	PROPN
eurjchem-2028	4	61	mohire	mohire	PROPN
eurjchem-2028	4	62	2	2	NUM
eurjchem-2028	4	63	,	,	PUNCT
eurjchem-2028	4	64	tanaji	tanaji	ADJ
eurjchem-2028	4	65	ramchandra	ramchandra	NOUN
eurjchem-2028	4	66	bhosale	bhosale	NOUN
eurjchem-2028	4	67	2	2	NUM
eurjchem-2028	4	68	,	,	PUNCT
eurjchem-2028	4	69	chellappanpillai	chellappanpillai	PROPN
eurjchem-2028	4	70	sudarsanakumar	sudarsanakumar	PROPN
eurjchem-2028	4	71	3	3	NUM
eurjchem-2028	4	72	and	and	CCONJ
eurjchem-2028	4	73	rajni	rajni	PROPN
eurjchem-2028	4	74	kant	kant	NOUN
eurjchem-2028	4	75	1	1	NUM
eurjchem-2028	4	76	,	,	PUNCT
eurjchem-2028	4	77	*	*	NUM
eurjchem-2028	4	78	1	1	NUM
eurjchem-2028	4	79	x	x	ADJ
eurjchem-2028	4	80	-	-	NOUN
eurjchem-2028	4	81	ray	ray	NOUN
eurjchem-2028	4	82	crystallography	crystallography	NOUN
eurjchem-2028	4	83	laboratory	laboratory	NOUN
eurjchem-2028	4	84	,	,	PUNCT
eurjchem-2028	4	85	department	department	NOUN
eurjchem-2028	4	86	of	of	ADP
eurjchem-2028	4	87	physics	physics	PROPN
eurjchem-2028	4	88	,	,	PUNCT
eurjchem-2028	4	89	university	university	PROPN
eurjchem-2028	4	90	of	of	ADP
eurjchem-2028	4	91	jammu	jammu	PROPN
eurjchem-2028	4	92	,	,	PUNCT
eurjchem-2028	4	93	jammu	jammu	PROPN
eurjchem-2028	4	94	tawi	tawi	PROPN
eurjchem-2028	4	95	,	,	PUNCT
eurjchem-2028	4	96	180006	180006	NUM
eurjchem-2028	4	97	,	,	PUNCT
eurjchem-2028	5	1	india	india	PROPN
eurjchem-2028	5	2	gopalgulshan1992@gmail.com	gopalgulshan1992@gmail.com	PROPN
eurjchem-2028	5	3	(	(	PUNCT
eurjchem-2028	5	4	g.s	g.s	PROPN
eurjchem-2028	5	5	.	.	PROPN
eurjchem-2028	5	6	)	)	PUNCT
eurjchem-2028	5	7	,	,	PUNCT
eurjchem-2028	5	8	anshuluppal629@gmail.com	anshuluppal629@gmail.com	X
eurjchem-2028	5	9	(	(	PUNCT
eurjchem-2028	5	10	a.u	a.u	PROPN
eurjchem-2028	5	11	.	.	PROPN
eurjchem-2028	5	12	)	)	PUNCT
eurjchem-2028	5	13	,	,	PUNCT
eurjchem-2028	5	14	sumatianthal@gmail.com	sumatianthal@gmail.com	X
eurjchem-2028	5	15	(	(	PUNCT
eurjchem-2028	5	16	s.a	s.a	PROPN
eurjchem-2028	5	17	.	.	PROPN
eurjchem-2028	5	18	)	)	PUNCT
eurjchem-2028	5	19	,	,	PUNCT
eurjchem-2028	5	20	rkant.ju@gmail.com	rkant.ju@gmail.com	PROPN
eurjchem-2028	5	21	(	(	PUNCT
eurjchem-2028	5	22	r.k	r.k	PROPN
eurjchem-2028	5	23	.	.	PROPN
eurjchem-2028	5	24	)	)	PUNCT
eurjchem-2028	6	1	2	2	NUM
eurjchem-2028	6	2	department	department	NOUN
eurjchem-2028	6	3	of	of	ADP
eurjchem-2028	6	4	chemistry	chemistry	NOUN
eurjchem-2028	6	5	,	,	PUNCT
eurjchem-2028	6	6	shivaji	shivaji	PROPN
eurjchem-2028	6	7	university	university	PROPN
eurjchem-2028	6	8	,	,	PUNCT
eurjchem-2028	6	9	kolhapur	kolhapur	PROPN
eurjchem-2028	6	10	,	,	PUNCT
eurjchem-2028	6	11	416004	416004	NUM
eurjchem-2028	6	12	,	,	PUNCT
eurjchem-2028	6	13	india	india	PROPN
eurjchem-2028	6	14	m_deshmukh1@rediffmail.com	m_deshmukh1@rediffmail.com	PROPN
eurjchem-2028	6	15	(	(	PUNCT
eurjchem-2028	6	16	m.b.d	m.b.d	PROPN
eurjchem-2028	6	17	.	.	PUNCT
eurjchem-2028	6	18	)	)	PUNCT
eurjchem-2028	6	19	,	,	PUNCT
eurjchem-2028	6	20	mohire.priyanka258@gmail.com	mohire.priyanka258@gmail.com	X
eurjchem-2028	6	21	(	(	PUNCT
eurjchem-2028	6	22	p.p.m	p.p.m	NOUN
eurjchem-2028	6	23	.	.	PUNCT
eurjchem-2028	6	24	)	)	PUNCT
eurjchem-2028	6	25	,	,	PUNCT
eurjchem-2028	6	26	trbhosale2013@gmail.com	trbhosale2013@gmail.com	X
eurjchem-2028	6	27	(	(	PUNCT
eurjchem-2028	6	28	t.r.b	t.r.b	NOUN
eurjchem-2028	6	29	.	.	PUNCT
eurjchem-2028	6	30	)	)	PUNCT
eurjchem-2028	7	1	3	3	NUM
eurjchem-2028	7	2	school	school	NOUN
eurjchem-2028	7	3	of	of	ADP
eurjchem-2028	7	4	pure	pure	ADJ
eurjchem-2028	7	5	and	and	CCONJ
eurjchem-2028	7	6	applied	applied	ADJ
eurjchem-2028	7	7	physics	physics	NOUN
eurjchem-2028	7	8	,	,	PUNCT
eurjchem-2028	7	9	mahatma	mahatma	PROPN
eurjchem-2028	7	10	gandhi	gandhi	PROPN
eurjchem-2028	7	11	university	university	PROPN
eurjchem-2028	7	12	,	,	PUNCT
eurjchem-2028	7	13	kerala	kerala	PROPN
eurjchem-2028	7	14	,	,	PUNCT
eurjchem-2028	7	15	686560	686560	NUM
eurjchem-2028	7	16	,	,	PUNCT
eurjchem-2028	7	17	india	india	PROPN
eurjchem-2028	7	18	c.sudarsan.mgu@gmail.com	c.sudarsan.mgu@gmail.com	PROPN
eurjchem-2028	7	19	(	(	PUNCT
eurjchem-2028	7	20	c.s	c.s	PROPN
eurjchem-2028	7	21	.	.	PROPN
eurjchem-2028	7	22	)	)	PUNCT
eurjchem-2028	8	1	*	*	PUNCT
eurjchem-2028	8	2	corresponding	correspond	VERB
eurjchem-2028	8	3	author	author	NOUN
eurjchem-2028	8	4	at	at	ADP
eurjchem-2028	8	5	:	:	PUNCT
eurjchem-2028	8	6	x	x	ADJ
eurjchem-2028	8	7	-	-	NOUN
eurjchem-2028	8	8	ray	ray	NOUN
eurjchem-2028	8	9	crystallography	crystallography	NOUN
eurjchem-2028	8	10	laboratory	laboratory	NOUN
eurjchem-2028	8	11	,	,	PUNCT
eurjchem-2028	8	12	department	department	NOUN
eurjchem-2028	8	13	of	of	ADP
eurjchem-2028	8	14	physics	physics	PROPN
eurjchem-2028	8	15	,	,	PUNCT
eurjchem-2028	8	16	university	university	PROPN
eurjchem-2028	8	17	of	of	ADP
eurjchem-2028	8	18	jammu	jammu	PROPN
eurjchem-2028	8	19	,	,	PUNCT
eurjchem-2028	8	20	jammu	jammu	PROPN
eurjchem-2028	8	21	tawi	tawi	PROPN
eurjchem-2028	8	22	,	,	PUNCT
eurjchem-2028	8	23	180006	180006	NUM
eurjchem-2028	8	24	,	,	PUNCT
eurjchem-2028	8	25	india	india	PROPN
eurjchem-2028	8	26	.	.	PUNCT
eurjchem-2028	9	1	e	e	X
eurjchem-2028	9	2	-	-	NOUN
eurjchem-2028	9	3	mail	mail	NOUN
eurjchem-2028	9	4	:	:	PUNCT
eurjchem-2028	9	5	rkant.ju@gmail.com	rkant.ju@gmail.com	PROPN
eurjchem-2028	9	6	(	(	PUNCT
eurjchem-2028	9	7	r.	r.	PROPN
eurjchem-2028	9	8	kant	kant	PROPN
eurjchem-2028	9	9	.	.	PUNCT
eurjchem-2028	9	10	)	)	PUNCT
eurjchem-2028	9	11	.	.	PUNCT
eurjchem-2028	10	1	10.5155	10.5155	NUM
eurjchem-2028	10	2	/	/	SYM
eurjchem-2028	10	3	eurjchem.11.4.324	eurjchem.11.4.324	NUM
eurjchem-2028	10	4	-	-	PUNCT
eurjchem-2028	10	5	333.2028	333.2028	NUM
eurjchem-2028	10	6	received	receive	VERB
eurjchem-2028	10	7	:	:	PUNCT
eurjchem-2028	10	8	18	18	NUM
eurjchem-2028	10	9	august	august	PROPN
eurjchem-2028	10	10	2020	2020	NUM
eurjchem-2028	10	11	received	receive	VERB
eurjchem-2028	10	12	in	in	ADP
eurjchem-2028	10	13	revised	revise	VERB
eurjchem-2028	10	14	form	form	NOUN
eurjchem-2028	10	15	:	:	PUNCT
eurjchem-2028	10	16	16	16	NUM
eurjchem-2028	10	17	october	october	NOUN
eurjchem-2028	10	18	2020	2020	NUM
eurjchem-2028	10	19	accepted	accept	VERB
eurjchem-2028	10	20	:	:	PUNCT
eurjchem-2028	10	21	22	22	NUM
eurjchem-2028	10	22	october	october	PROPN
eurjchem-2028	10	23	2020	2020	NUM
eurjchem-2028	10	24	published	publish	VERB
eurjchem-2028	10	25	online	online	ADV
eurjchem-2028	10	26	:	:	PUNCT
eurjchem-2028	10	27	31	31	NUM
eurjchem-2028	10	28	december	december	PROPN
eurjchem-2028	10	29	2020	2020	NUM
eurjchem-2028	10	30	printed	print	VERB
eurjchem-2028	10	31	:	:	PUNCT
eurjchem-2028	10	32	31	31	NUM
eurjchem-2028	10	33	december	december	PROPN
eurjchem-2028	10	34	2020	2020	NUM
eurjchem-2028	10	35	a	a	DET
eurjchem-2028	10	36	combined	combine	VERB
eurjchem-2028	10	37	theoretical	theoretical	ADJ
eurjchem-2028	10	38	and	and	CCONJ
eurjchem-2028	10	39	experimental	experimental	ADJ
eurjchem-2028	10	40	investigation	investigation	NOUN
eurjchem-2028	10	41	on	on	ADP
eurjchem-2028	10	42	a	a	DET
eurjchem-2028	10	43	pharmaceutically	pharmaceutically	ADV
eurjchem-2028	10	44	important	important	ADJ
eurjchem-2028	10	45	binary	binary	ADJ
eurjchem-2028	10	46	complex	complex	ADJ
eurjchem-2028	10	47	3,3'-[(3	3,3'-[(3	NUM
eurjchem-2028	10	48	-	-	PUNCT
eurjchem-2028	10	49	benzimidazolyl)methylene]bis(4	benzimidazolyl)methylene]bis(4	NOUN
eurjchem-2028	10	50	-	-	PUNCT
eurjchem-2028	10	51	hydroxy-2h-1	hydroxy-2h-1	NOUN
eurjchem-2028	10	52	-	-	PUNCT
eurjchem-2028	10	53	benzopyran-2	benzopyran-2	NOUN
eurjchem-2028	10	54	-	-	PUNCT
eurjchem-2028	10	55	one	one	NUM
eurjchem-2028	10	56	):	):	PUNCT
eurjchem-2028	10	57	5	5	NUM
eurjchem-2028	10	58	-	-	PUNCT
eurjchem-2028	10	59	methyl-1,3	methyl-1,3	NOUN
eurjchem-2028	10	60	-	-	PUNCT
eurjchem-2028	10	61	thiazol-2(3h)-imine	thiazol-2(3h)-imine	NOUN
eurjchem-2028	10	62	is	be	AUX
eurjchem-2028	10	63	presented	present	VERB
eurjchem-2028	10	64	in	in	ADP
eurjchem-2028	10	65	this	this	DET
eurjchem-2028	10	66	manuscript	manuscript	NOUN
eurjchem-2028	10	67	.	.	PUNCT
eurjchem-2028	11	1	the	the	DET
eurjchem-2028	11	2	compound	compound	NOUN
eurjchem-2028	11	3	crystallizes	crystallize	VERB
eurjchem-2028	11	4	in	in	ADP
eurjchem-2028	11	5	the	the	DET
eurjchem-2028	11	6	monoclinic	monoclinic	ADJ
eurjchem-2028	11	7	crystal	crystal	NOUN
eurjchem-2028	11	8	system	system	NOUN
eurjchem-2028	11	9	with	with	ADP
eurjchem-2028	11	10	space	space	NOUN
eurjchem-2028	11	11	group	group	NOUN
eurjchem-2028	11	12	cc	cc	PROPN
eurjchem-2028	11	13	with	with	ADP
eurjchem-2028	11	14	unit	unit	NOUN
eurjchem-2028	11	15	cell	cell	NOUN
eurjchem-2028	11	16	parameters	parameter	NOUN
eurjchem-2028	11	17	:	:	PUNCT
eurjchem-2028	11	18	a	a	PRON
eurjchem-2028	11	19	=	=	SYM
eurjchem-2028	11	20	19.8151(8	19.8151(8	NUM
eurjchem-2028	11	21	)	)	PUNCT
eurjchem-2028	12	1	å	å	PROPN
eurjchem-2028	12	2	,	,	PUNCT
eurjchem-2028	12	3	b	b	X
eurjchem-2028	12	4	=	=	SYM
eurjchem-2028	12	5	15.2804(6	15.2804(6	PROPN
eurjchem-2028	12	6	)	)	PUNCT
eurjchem-2028	12	7	å	å	NOUN
eurjchem-2028	12	8	,	,	PUNCT
eurjchem-2028	12	9	c	c	NOUN
eurjchem-2028	12	10	=	=	SYM
eurjchem-2028	12	11	8.3950(4	8.3950(4	NUM
eurjchem-2028	12	12	)	)	PUNCT
eurjchem-2028	12	13	å	å	NOUN
eurjchem-2028	12	14	,	,	PUNCT
eurjchem-2028	12	15	β	β	X
eurjchem-2028	12	16	=	=	SYM
eurjchem-2028	12	17	94.0990(10	94.0990(10	NUM
eurjchem-2028	12	18	)	)	PUNCT
eurjchem-2028	12	19	°	°	NOUN
eurjchem-2028	12	20	,	,	PUNCT
eurjchem-2028	12	21	v	v	NOUN
eurjchem-2028	12	22	=	=	SYM
eurjchem-2028	12	23	2535.36(19	2535.36(19	NUM
eurjchem-2028	12	24	)	)	PUNCT
eurjchem-2028	12	25	å3	å3	NOUN
eurjchem-2028	12	26	,	,	PUNCT
eurjchem-2028	12	27	z	z	NOUN
eurjchem-2028	12	28	=	=	SYM
eurjchem-2028	12	29	4	4	NUM
eurjchem-2028	12	30	,	,	PUNCT
eurjchem-2028	12	31	t	t	NOUN
eurjchem-2028	12	32	=	=	SYM
eurjchem-2028	12	33	296(2	296(2	NUM
eurjchem-2028	12	34	)	)	PUNCT
eurjchem-2028	12	35	k	k	NOUN
eurjchem-2028	12	36	,	,	PUNCT
eurjchem-2028	12	37	μ(mokα	μ(mokα	NOUN
eurjchem-2028	12	38	)	)	PUNCT
eurjchem-2028	12	39	=	=	PUNCT
eurjchem-2028	12	40	0.184	0.184	NUM
eurjchem-2028	12	41	mm-1	mm-1	NOUN
eurjchem-2028	12	42	,	,	PUNCT
eurjchem-2028	12	43	dcalc	dcalc	NOUN
eurjchem-2028	12	44	=	=	PUNCT
eurjchem-2028	12	45	1.490	1.490	NUM
eurjchem-2028	12	46	g	g	NOUN
eurjchem-2028	12	47	/	/	SYM
eurjchem-2028	12	48	cm3	cm3	NOUN
eurjchem-2028	12	49	,	,	PUNCT
eurjchem-2028	12	50	35833	35833	NUM
eurjchem-2028	12	51	reflections	reflection	NOUN
eurjchem-2028	12	52	measured	measure	VERB
eurjchem-2028	12	53	(	(	PUNCT
eurjchem-2028	12	54	5.332	5.332	NUM
eurjchem-2028	12	55	°	°	NOUN
eurjchem-2028	12	56	≤	≤	NUM
eurjchem-2028	12	57	2θ	2θ	NUM
eurjchem-2028	12	58	≤	≤	NUM
eurjchem-2028	12	59	56.678	56.678	NUM
eurjchem-2028	12	60	°	°	NUM
eurjchem-2028	12	61	)	)	PUNCT
eurjchem-2028	12	62	,	,	PUNCT
eurjchem-2028	12	63	6168	6168	NUM
eurjchem-2028	12	64	unique	unique	ADJ
eurjchem-2028	12	65	(	(	PUNCT
eurjchem-2028	12	66	rint	rint	NOUN
eurjchem-2028	12	67	=	=	SYM
eurjchem-2028	12	68	0.0467	0.0467	NUM
eurjchem-2028	12	69	,	,	PUNCT
eurjchem-2028	12	70	rsigma	rsigma	ADJ
eurjchem-2028	12	71	=	=	SYM
eurjchem-2028	12	72	0.0388	0.0388	NUM
eurjchem-2028	12	73	)	)	PUNCT
eurjchem-2028	12	74	which	which	PRON
eurjchem-2028	12	75	were	be	AUX
eurjchem-2028	12	76	used	use	VERB
eurjchem-2028	12	77	in	in	ADP
eurjchem-2028	12	78	all	all	DET
eurjchem-2028	12	79	calculations	calculation	NOUN
eurjchem-2028	12	80	.	.	PUNCT
eurjchem-2028	13	1	the	the	DET
eurjchem-2028	13	2	final	final	ADJ
eurjchem-2028	13	3	r1	r1	PROPN
eurjchem-2028	13	4	was	be	AUX
eurjchem-2028	13	5	0.0435	0.0435	NUM
eurjchem-2028	13	6	(	(	PUNCT
eurjchem-2028	13	7	i	i	X
eurjchem-2028	13	8	>	>	X
eurjchem-2028	13	9	2σ(i	2σ(i	NUM
eurjchem-2028	13	10	)	)	PUNCT
eurjchem-2028	13	11	)	)	PUNCT
eurjchem-2028	14	1	and	and	CCONJ
eurjchem-2028	14	2	wr2	wr2	PROPN
eurjchem-2028	14	3	was	be	AUX
eurjchem-2028	14	4	0.1073	0.1073	NUM
eurjchem-2028	14	5	(	(	PUNCT
eurjchem-2028	14	6	all	all	DET
eurjchem-2028	14	7	data	datum	NOUN
eurjchem-2028	14	8	)	)	PUNCT
eurjchem-2028	14	9	.	.	PUNCT
eurjchem-2028	15	1	the	the	DET
eurjchem-2028	15	2	crystal	crystal	NOUN
eurjchem-2028	15	3	structure	structure	NOUN
eurjchem-2028	15	4	has	have	AUX
eurjchem-2028	15	5	been	be	AUX
eurjchem-2028	15	6	determined	determine	VERB
eurjchem-2028	15	7	by	by	ADP
eurjchem-2028	15	8	the	the	DET
eurjchem-2028	15	9	conventional	conventional	ADJ
eurjchem-2028	15	10	x	x	ADJ
eurjchem-2028	15	11	-	-	NOUN
eurjchem-2028	15	12	ray	ray	NOUN
eurjchem-2028	15	13	diffraction	diffraction	NOUN
eurjchem-2028	15	14	method	method	NOUN
eurjchem-2028	15	15	,	,	PUNCT
eurjchem-2028	15	16	solved	solve	VERB
eurjchem-2028	15	17	by	by	ADP
eurjchem-2028	15	18	direct	direct	ADJ
eurjchem-2028	15	19	methods	method	NOUN
eurjchem-2028	15	20	and	and	CCONJ
eurjchem-2028	15	21	refined	refine	VERB
eurjchem-2028	15	22	by	by	ADP
eurjchem-2028	15	23	the	the	DET
eurjchem-2028	15	24	full	full	ADJ
eurjchem-2028	15	25	matrix	matrix	NOUN
eurjchem-2028	15	26	least	least	ADJ
eurjchem-2028	15	27	squares	square	NOUN
eurjchem-2028	15	28	procedure	procedure	NOUN
eurjchem-2028	15	29	.	.	PUNCT
eurjchem-2028	16	1	intramolecular	intramolecular	ADJ
eurjchem-2028	16	2	hydrogen	hydrogen	NOUN
eurjchem-2028	16	3	bonding	bonding	NOUN
eurjchem-2028	16	4	of	of	ADP
eurjchem-2028	16	5	the	the	DET
eurjchem-2028	16	6	type	type	NOUN
eurjchem-2028	16	7	c	c	NOUN
eurjchem-2028	16	8	–	–	PUNCT
eurjchem-2028	16	9	h⋅⋅⋅o	h⋅⋅⋅o	NOUN
eurjchem-2028	16	10	and	and	CCONJ
eurjchem-2028	16	11	o	o	NOUN
eurjchem-2028	16	12	–	–	PUNCT
eurjchem-2028	16	13	h⋅⋅⋅o	h⋅⋅⋅o	NOUN
eurjchem-2028	16	14	is	be	AUX
eurjchem-2028	16	15	present	present	ADJ
eurjchem-2028	16	16	and	and	CCONJ
eurjchem-2028	16	17	the	the	DET
eurjchem-2028	16	18	crystal	crystal	NOUN
eurjchem-2028	16	19	structure	structure	NOUN
eurjchem-2028	16	20	stabilizes	stabilize	VERB
eurjchem-2028	16	21	via	via	ADP
eurjchem-2028	16	22	n	n	CCONJ
eurjchem-2028	16	23	–	–	PUNCT
eurjchem-2028	16	24	h	h	NOUN
eurjchem-2028	16	25	…	…	SYM
eurjchem-2028	16	26	o	o	NOUN
eurjchem-2028	16	27	,	,	PUNCT
eurjchem-2028	16	28	c	c	NOUN
eurjchem-2028	16	29	–	–	PUNCT
eurjchem-2028	16	30	h	h	NOUN
eurjchem-2028	16	31	…	…	PUNCT
eurjchem-2028	16	32	n	n	NOUN
eurjchem-2028	16	33	and	and	CCONJ
eurjchem-2028	16	34	o	o	NOUN
eurjchem-2028	16	35	–	–	PUNCT
eurjchem-2028	16	36	h	h	NOUN
eurjchem-2028	16	37	…	…	PUNCT
eurjchem-2028	16	38	n	n	CCONJ
eurjchem-2028	16	39	intermolecular	intermolecular	ADJ
eurjchem-2028	16	40	interactions	interaction	NOUN
eurjchem-2028	16	41	.	.	PUNCT
eurjchem-2028	17	1	the	the	DET
eurjchem-2028	17	2	optimized	optimize	VERB
eurjchem-2028	17	3	structural	structural	ADJ
eurjchem-2028	17	4	parameters	parameter	NOUN
eurjchem-2028	17	5	have	have	AUX
eurjchem-2028	17	6	been	be	AUX
eurjchem-2028	17	7	compared	compare	VERB
eurjchem-2028	17	8	and	and	CCONJ
eurjchem-2028	17	9	the	the	DET
eurjchem-2028	17	10	parameters	parameter	NOUN
eurjchem-2028	17	11	like	like	ADP
eurjchem-2028	17	12	ionization	ionization	NOUN
eurjchem-2028	17	13	potential	potential	NOUN
eurjchem-2028	17	14	,	,	PUNCT
eurjchem-2028	17	15	electron	electron	NOUN
eurjchem-2028	17	16	affinity	affinity	NOUN
eurjchem-2028	17	17	,	,	PUNCT
eurjchem-2028	17	18	global	global	ADJ
eurjchem-2028	17	19	hardness	hardness	NOUN
eurjchem-2028	17	20	,	,	PUNCT
eurjchem-2028	17	21	electron	electron	NOUN
eurjchem-2028	17	22	chemical	chemical	NOUN
eurjchem-2028	17	23	potential	potential	NOUN
eurjchem-2028	17	24	,	,	PUNCT
eurjchem-2028	17	25	electronegativity	electronegativity	NOUN
eurjchem-2028	17	26	,	,	PUNCT
eurjchem-2028	17	27	and	and	CCONJ
eurjchem-2028	17	28	global	global	ADJ
eurjchem-2028	17	29	electrophilicity	electrophilicity	NOUN
eurjchem-2028	17	30	based	base	VERB
eurjchem-2028	17	31	on	on	ADP
eurjchem-2028	17	32	homo	homo	NOUN
eurjchem-2028	17	33	and	and	CCONJ
eurjchem-2028	17	34	lumo	lumo	NOUN
eurjchem-2028	17	35	energy	energy	NOUN
eurjchem-2028	17	36	values	value	NOUN
eurjchem-2028	17	37	were	be	AUX
eurjchem-2028	17	38	calculated	calculate	VERB
eurjchem-2028	17	39	at	at	ADP
eurjchem-2028	17	40	b3lyp/6311g(d	b3lyp/6311g(d	PROPN
eurjchem-2028	17	41	,	,	PUNCT
eurjchem-2028	17	42	p	p	NOUN
eurjchem-2028	17	43	)	)	PUNCT
eurjchem-2028	17	44	level	level	NOUN
eurjchem-2028	17	45	of	of	ADP
eurjchem-2028	17	46	theory	theory	NOUN
eurjchem-2028	17	47	for	for	ADP
eurjchem-2028	17	48	a	a	DET
eurjchem-2028	17	49	better	well	ADJ
eurjchem-2028	17	50	understanding	understanding	NOUN
eurjchem-2028	17	51	of	of	ADP
eurjchem-2028	17	52	the	the	DET
eurjchem-2028	17	53	structural	structural	ADJ
eurjchem-2028	17	54	properties	property	NOUN
eurjchem-2028	17	55	of	of	ADP
eurjchem-2028	17	56	the	the	DET
eurjchem-2028	17	57	binary	binary	PROPN
eurjchem-2028	17	58	complex	complex	NOUN
eurjchem-2028	17	59	.	.	PUNCT
eurjchem-2028	18	1	dft	dft	VERB
eurjchem-2028	18	2	direct	direct	ADJ
eurjchem-2028	18	3	methods	method	NOUN
eurjchem-2028	18	4	x	x	NOUN
eurjchem-2028	18	5	-	-	NOUN
eurjchem-2028	18	6	ray	ray	NOUN
eurjchem-2028	18	7	diffraction	diffraction	NOUN
eurjchem-2028	18	8	crystal	crystal	NOUN
eurjchem-2028	18	9	structure	structure	NOUN
eurjchem-2028	18	10	benzopyran	benzopyran	VERB
eurjchem-2028	18	11	derivatives	derivative	NOUN
eurjchem-2028	19	1	intermolecular	intermolecular	ADJ
eurjchem-2028	19	2	interactions	interaction	NOUN
eurjchem-2028	19	3	cite	cite	VERB
eurjchem-2028	19	4	this	this	PRON
eurjchem-2028	19	5	:	:	PUNCT
eurjchem-2028	19	6	eur	eur	PROPN
eurjchem-2028	19	7	.	.	PUNCT
eurjchem-2028	20	1	j.	j.	PROPN
eurjchem-2028	20	2	chem	chem	PROPN
eurjchem-2028	20	3	.	.	PUNCT
eurjchem-2028	21	1	2020	2020	NUM
eurjchem-2028	21	2	,	,	PUNCT
eurjchem-2028	21	3	11(4	11(4	NUM
eurjchem-2028	21	4	)	)	PUNCT
eurjchem-2028	21	5	,	,	PUNCT
eurjchem-2028	21	6	324	324	NUM
eurjchem-2028	21	7	-	-	SYM
eurjchem-2028	21	8	333	333	NUM
eurjchem-2028	21	9	journal	journal	NOUN
eurjchem-2028	21	10	website	website	NOUN
eurjchem-2028	21	11	:	:	PUNCT
eurjchem-2028	21	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2028	21	13	1	1	X
eurjchem-2028	21	14	.	.	PUNCT
eurjchem-2028	21	15	introduction	introduction	NOUN
eurjchem-2028	21	16	coumarin	coumarin	NOUN
eurjchem-2028	21	17	derivatives	derivative	NOUN
eurjchem-2028	21	18	,	,	PUNCT
eurjchem-2028	21	19	i.e.	i.e.	X
eurjchem-2028	21	20	,	,	PUNCT
eurjchem-2028	21	21	molecules	molecule	NOUN
eurjchem-2028	21	22	containing	contain	VERB
eurjchem-2028	21	23	the	the	DET
eurjchem-2028	21	24	benzopyran-2	benzopyran-2	NOUN
eurjchem-2028	21	25	-	-	PUNCT
eurjchem-2028	21	26	one	one	NUM
eurjchem-2028	21	27	or	or	CCONJ
eurjchem-2028	21	28	chromen-2	chromen-2	NUM
eurjchem-2028	21	29	-	-	PUNCT
eurjchem-2028	21	30	one	one	NUM
eurjchem-2028	21	31	ring	ring	NOUN
eurjchem-2028	21	32	system	system	NOUN
eurjchem-2028	21	33	,	,	PUNCT
eurjchem-2028	21	34	are	be	AUX
eurjchem-2028	21	35	widely	widely	ADV
eurjchem-2028	21	36	distributed	distribute	VERB
eurjchem-2028	21	37	throughout	throughout	ADP
eurjchem-2028	21	38	nature	nature	NOUN
eurjchem-2028	21	39	,	,	PUNCT
eurjchem-2028	21	40	occurring	occur	VERB
eurjchem-2028	21	41	as	as	ADP
eurjchem-2028	21	42	secondary	secondary	ADJ
eurjchem-2028	21	43	metabolites	metabolite	NOUN
eurjchem-2028	21	44	of	of	ADP
eurjchem-2028	21	45	plant	plant	NOUN
eurjchem-2028	21	46	species	specie	NOUN
eurjchem-2028	21	47	,	,	PUNCT
eurjchem-2028	21	48	notably	notably	ADV
eurjchem-2028	21	49	in	in	ADP
eurjchem-2028	21	50	the	the	DET
eurjchem-2028	21	51	tonka	tonka	PROPN
eurjchem-2028	21	52	bean	bean	NOUN
eurjchem-2028	21	53	and	and	CCONJ
eurjchem-2028	21	54	melilotus	melilotus	NOUN
eurjchem-2028	21	55	species	specie	NOUN
eurjchem-2028	21	56	[	[	X
eurjchem-2028	21	57	1	1	NUM
eurjchem-2028	21	58	]	]	PUNCT
eurjchem-2028	21	59	.	.	PUNCT
eurjchem-2028	22	1	natural	natural	ADJ
eurjchem-2028	22	2	coumarins	coumarin	NOUN
eurjchem-2028	22	3	play	play	VERB
eurjchem-2028	22	4	an	an	DET
eurjchem-2028	22	5	important	important	ADJ
eurjchem-2028	22	6	role	role	NOUN
eurjchem-2028	22	7	in	in	ADP
eurjchem-2028	22	8	plant	plant	NOUN
eurjchem-2028	22	9	biochemistry	biochemistry	NOUN
eurjchem-2028	22	10	and	and	CCONJ
eurjchem-2028	22	11	physiology	physiology	NOUN
eurjchem-2028	22	12	and	and	CCONJ
eurjchem-2028	22	13	act	act	NOUN
eurjchem-2028	22	14	as	as	ADP
eurjchem-2028	22	15	antioxidants	antioxidant	NOUN
eurjchem-2028	22	16	,	,	PUNCT
eurjchem-2028	22	17	enzyme	enzyme	NOUN
eurjchem-2028	22	18	inhibitors	inhibitor	NOUN
eurjchem-2028	22	19	,	,	PUNCT
eurjchem-2028	22	20	and	and	CCONJ
eurjchem-2028	22	21	precursors	precursor	NOUN
eurjchem-2028	22	22	of	of	ADP
eurjchem-2028	22	23	toxic	toxic	ADJ
eurjchem-2028	22	24	substances	substance	NOUN
eurjchem-2028	22	25	[	[	X
eurjchem-2028	22	26	2	2	NUM
eurjchem-2028	22	27	]	]	PUNCT
eurjchem-2028	22	28	.	.	PUNCT
eurjchem-2028	23	1	these	these	PRON
eurjchem-2028	23	2	are	be	AUX
eurjchem-2028	23	3	also	also	ADV
eurjchem-2028	23	4	involved	involve	VERB
eurjchem-2028	23	5	in	in	ADP
eurjchem-2028	23	6	the	the	DET
eurjchem-2028	23	7	actions	action	NOUN
eurjchem-2028	23	8	of	of	ADP
eurjchem-2028	23	9	plant	plant	NOUN
eurjchem-2028	23	10	growth	growth	NOUN
eurjchem-2028	23	11	hormones	hormone	NOUN
eurjchem-2028	23	12	and	and	CCONJ
eurjchem-2028	23	13	growth	growth	NOUN
eurjchem-2028	23	14	regulators	regulator	NOUN
eurjchem-2028	23	15	,	,	PUNCT
eurjchem-2028	23	16	the	the	DET
eurjchem-2028	23	17	control	control	NOUN
eurjchem-2028	23	18	over	over	ADP
eurjchem-2028	23	19	respiration	respiration	NOUN
eurjchem-2028	23	20	and	and	CCONJ
eurjchem-2028	23	21	photosynthesis	photosynthesis	NOUN
eurjchem-2028	23	22	,	,	PUNCT
eurjchem-2028	23	23	as	as	ADV
eurjchem-2028	23	24	well	well	ADV
eurjchem-2028	23	25	as	as	ADP
eurjchem-2028	23	26	in	in	ADP
eurjchem-2028	23	27	the	the	DET
eurjchem-2028	23	28	defense	defense	NOUN
eurjchem-2028	23	29	against	against	ADP
eurjchem-2028	23	30	various	various	ADJ
eurjchem-2028	23	31	infections	infection	NOUN
eurjchem-2028	23	32	[	[	X
eurjchem-2028	23	33	3	3	NUM
eurjchem-2028	23	34	]	]	PUNCT
eurjchem-2028	23	35	.	.	PUNCT
eurjchem-2028	24	1	substitutions	substitution	NOUN
eurjchem-2028	24	2	on	on	ADP
eurjchem-2028	24	3	the	the	DET
eurjchem-2028	24	4	benzopyrone	benzopyrone	NOUN
eurjchem-2028	24	5	ring	ring	NOUN
eurjchem-2028	24	6	influence	influence	NOUN
eurjchem-2028	24	7	the	the	DET
eurjchem-2028	24	8	chemical	chemical	NOUN
eurjchem-2028	24	9	,	,	PUNCT
eurjchem-2028	24	10	structural	structural	ADJ
eurjchem-2028	24	11	[	[	X
eurjchem-2028	24	12	4	4	NUM
eurjchem-2028	24	13	]	]	PUNCT
eurjchem-2028	24	14	,	,	PUNCT
eurjchem-2028	24	15	and	and	CCONJ
eurjchem-2028	24	16	biological	biological	ADJ
eurjchem-2028	24	17	properties	property	NOUN
eurjchem-2028	24	18	of	of	ADP
eurjchem-2028	24	19	coumarins	coumarin	NOUN
eurjchem-2028	24	20	[	[	X
eurjchem-2028	24	21	5	5	NUM
eurjchem-2028	24	22	-	-	SYM
eurjchem-2028	24	23	7	7	NUM
eurjchem-2028	24	24	]	]	PUNCT
eurjchem-2028	24	25	.	.	PUNCT
eurjchem-2028	25	1	coumarin	coumarin	NOUN
eurjchem-2028	25	2	heterocyclic	heterocyclic	ADJ
eurjchem-2028	25	3	derivatives	derivative	NOUN
eurjchem-2028	25	4	exhibit	exhibit	VERB
eurjchem-2028	25	5	diverse	diverse	ADJ
eurjchem-2028	25	6	biological	biological	ADJ
eurjchem-2028	25	7	activities	activity	NOUN
eurjchem-2028	25	8	,	,	PUNCT
eurjchem-2028	25	9	as	as	SCONJ
eurjchem-2028	25	10	reviewed	review	VERB
eurjchem-2028	25	11	recently	recently	ADV
eurjchem-2028	25	12	[	[	X
eurjchem-2028	25	13	8	8	NUM
eurjchem-2028	25	14	]	]	PUNCT
eurjchem-2028	25	15	.	.	PUNCT
eurjchem-2028	26	1	the	the	DET
eurjchem-2028	26	2	biological	biological	ADJ
eurjchem-2028	26	3	activities	activity	NOUN
eurjchem-2028	26	4	of	of	ADP
eurjchem-2028	26	5	coumarin	coumarin	NOUN
eurjchem-2028	26	6	derivatives	derivative	NOUN
eurjchem-2028	26	7	,	,	PUNCT
eurjchem-2028	26	8	in	in	ADP
eurjchem-2028	26	9	particular	particular	ADJ
eurjchem-2028	26	10	their	their	PRON
eurjchem-2028	26	11	therapeutic	therapeutic	ADJ
eurjchem-2028	26	12	application	application	NOUN
eurjchem-2028	26	13	as	as	ADP
eurjchem-2028	26	14	antifungal	antifungal	ADJ
eurjchem-2028	26	15	,	,	PUNCT
eurjchem-2028	26	16	antibacterial	antibacterial	ADJ
eurjchem-2028	26	17	[	[	X
eurjchem-2028	26	18	9	9	NUM
eurjchem-2028	26	19	]	]	PUNCT
eurjchem-2028	26	20	,	,	PUNCT
eurjchem-2028	26	21	antitubercular	antitubercular	ADJ
eurjchem-2028	26	22	[	[	X
eurjchem-2028	26	23	10	10	NUM
eurjchem-2028	26	24	]	]	PUNCT
eurjchem-2028	26	25	,	,	PUNCT
eurjchem-2028	26	26	antiacetylcholinesterase	antiacetylcholinesterase	PROPN
eurjchem-2028	26	27	,	,	PUNCT
eurjchem-2028	26	28	anticancer	anticancer	NOUN
eurjchem-2028	27	1	[	[	X
eurjchem-2028	27	2	11,12	11,12	NUM
eurjchem-2028	27	3	]	]	PUNCT
eurjchem-2028	27	4	anticoagulant	anticoagulant	NOUN
eurjchem-2028	27	5	,	,	PUNCT
eurjchem-2028	27	6	antimutagenic	antimutagenic	ADJ
eurjchem-2028	27	7	,	,	PUNCT
eurjchem-2028	27	8	anti	anti	ADJ
eurjchem-2028	27	9	-	-	ADJ
eurjchem-2028	27	10	hepatites	hepatite	NOUN
eurjchem-2028	27	11	c	c	NOUN
eurjchem-2028	27	12	,	,	PUNCT
eurjchem-2028	27	13	anti	anti	ADJ
eurjchem-2028	27	14	-	-	ADJ
eurjchem-2028	27	15	inflammatory	inflammatory	ADJ
eurjchem-2028	27	16	[	[	X
eurjchem-2028	27	17	13	13	NUM
eurjchem-2028	27	18	]	]	PUNCT
eurjchem-2028	27	19	,	,	PUNCT
eurjchem-2028	27	20	and	and	CCONJ
eurjchem-2028	27	21	analgesic	analgesic	ADJ
eurjchem-2028	27	22	[	[	X
eurjchem-2028	27	23	14	14	NUM
eurjchem-2028	27	24	]	]	X
eurjchem-2028	27	25	agents	agent	NOUN
eurjchem-2028	27	26	.	.	PUNCT
eurjchem-2028	28	1	moreover	moreover	ADV
eurjchem-2028	28	2	,	,	PUNCT
eurjchem-2028	28	3	many	many	ADJ
eurjchem-2028	28	4	coumarin	coumarin	NOUN
eurjchem-2028	28	5	derivatives	derivative	NOUN
eurjchem-2028	28	6	are	be	AUX
eurjchem-2028	28	7	used	use	VERB
eurjchem-2028	28	8	as	as	ADP
eurjchem-2028	28	9	non	non	ADJ
eurjchem-2028	28	10	-	-	ADJ
eurjchem-2028	28	11	peptidic	peptidic	ADJ
eurjchem-2028	28	12	proteases	protease	NOUN
eurjchem-2028	28	13	[	[	X
eurjchem-2028	28	14	15	15	NUM
eurjchem-2028	28	15	]	]	PUNCT
eurjchem-2028	28	16	,	,	PUNCT
eurjchem-2028	28	17	heat	heat	NOUN
eurjchem-2028	28	18	shock	shock	NOUN
eurjchem-2028	28	19	proteins	protein	NOUN
eurjchem-2028	29	1	[	[	X
eurjchem-2028	29	2	16,17	16,17	NUM
eurjchem-2028	29	3	]	]	PUNCT
eurjchem-2028	29	4	,	,	PUNCT
eurjchem-2028	29	5	and	and	CCONJ
eurjchem-2028	29	6	monoamine	monoamine	ADJ
eurjchem-2028	29	7	oxidase	oxidase	NOUN
eurjchem-2028	30	1	[	[	X
eurjchem-2028	30	2	18	18	NUM
eurjchem-2028	30	3	]	]	PUNCT
eurjchem-2028	30	4	.	.	PUNCT
eurjchem-2028	31	1	the	the	DET
eurjchem-2028	31	2	interest	interest	NOUN
eurjchem-2028	31	3	in	in	ADP
eurjchem-2028	31	4	coumarins	coumarin	NOUN
eurjchem-2028	31	5	has	have	AUX
eurjchem-2028	31	6	recently	recently	ADV
eurjchem-2028	31	7	increased	increase	VERB
eurjchem-2028	31	8	significantly	significantly	ADV
eurjchem-2028	31	9	because	because	SCONJ
eurjchem-2028	31	10	it	it	PRON
eurjchem-2028	31	11	was	be	AUX
eurjchem-2028	31	12	found	find	VERB
eurjchem-2028	31	13	that	that	SCONJ
eurjchem-2028	31	14	they	they	PRON
eurjchem-2028	31	15	inhibit	inhibit	VERB
eurjchem-2028	31	16	hiv	hiv	PROPN
eurjchem-2028	31	17	(	(	PUNCT
eurjchem-2028	31	18	human	human	ADJ
eurjchem-2028	31	19	immunedeficiency	immunedeficiency	NOUN
eurjchem-2028	31	20	virus	virus	NOUN
eurjchem-2028	31	21	)	)	PUNCT
eurjchem-2028	31	22	,	,	PUNCT
eurjchem-2028	31	23	by	by	ADP
eurjchem-2028	31	24	affecting	affect	VERB
eurjchem-2028	31	25	integrase	integrase	NOUN
eurjchem-2028	31	26	and	and	CCONJ
eurjchem-2028	31	27	reverse	reverse	ADJ
eurjchem-2028	31	28	transcriptase	transcriptase	NOUN
eurjchem-2028	31	29	,	,	PUNCT
eurjchem-2028	31	30	which	which	PRON
eurjchem-2028	31	31	play	play	VERB
eurjchem-2028	31	32	a	a	DET
eurjchem-2028	31	33	critical	critical	ADJ
eurjchem-2028	31	34	role	role	NOUN
eurjchem-2028	31	35	in	in	ADP
eurjchem-2028	31	36	the	the	DET
eurjchem-2028	31	37	replicative	replicative	ADJ
eurjchem-2028	31	38	cycle	cycle	NOUN
eurjchem-2028	31	39	of	of	ADP
eurjchem-2028	31	40	hiv	hiv	PROPN
eurjchem-2028	32	1	[	[	X
eurjchem-2028	32	2	19	19	NUM
eurjchem-2028	32	3	-	-	SYM
eurjchem-2028	32	4	21	21	NUM
eurjchem-2028	32	5	]	]	PUNCT
eurjchem-2028	32	6	.	.	PUNCT
eurjchem-2028	33	1	compounds	compound	NOUN
eurjchem-2028	33	2	containing	contain	VERB
eurjchem-2028	33	3	a	a	DET
eurjchem-2028	33	4	thiazole	thiazole	NOUN
eurjchem-2028	33	5	ring	ring	NOUN
eurjchem-2028	33	6	are	be	AUX
eurjchem-2028	33	7	known	know	VERB
eurjchem-2028	33	8	to	to	PART
eurjchem-2028	33	9	have	have	VERB
eurjchem-2028	33	10	versatile	versatile	ADJ
eurjchem-2028	33	11	pharmacological	pharmacological	ADJ
eurjchem-2028	33	12	roles	role	NOUN
eurjchem-2028	34	1	[	[	X
eurjchem-2028	34	2	22	22	NUM
eurjchem-2028	34	3	]	]	PUNCT
eurjchem-2028	34	4	.	.	PUNCT
eurjchem-2028	35	1	substituted	substitute	VERB
eurjchem-2028	35	2	benzimidazoles	benzimidazole	NOUN
eurjchem-2028	35	3	also	also	ADV
eurjchem-2028	35	4	possess	possess	VERB
eurjchem-2028	35	5	many	many	ADJ
eurjchem-2028	35	6	biological	biological	ADJ
eurjchem-2028	35	7	activities	activity	NOUN
eurjchem-2028	35	8	,	,	PUNCT
eurjchem-2028	35	9	which	which	PRON
eurjchem-2028	35	10	is	be	AUX
eurjchem-2028	35	11	why	why	SCONJ
eurjchem-2028	35	12	benzimidazole	benzimidazole	ADJ
eurjchem-2028	35	13	derivatives	derivative	NOUN
eurjchem-2028	35	14	are	be	AUX
eurjchem-2028	35	15	considered	consider	VERB
eurjchem-2028	35	16	as	as	ADP
eurjchem-2028	35	17	an	an	DET
eurjchem-2028	35	18	important	important	ADJ
eurjchem-2028	35	19	moiety	moiety	NOUN
eurjchem-2028	35	20	for	for	ADP
eurjchem-2028	35	21	the	the	DET
eurjchem-2028	35	22	development	development	NOUN
eurjchem-2028	35	23	of	of	ADP
eurjchem-2028	35	24	molecules	molecule	NOUN
eurjchem-2028	35	25	of	of	ADP
eurjchem-2028	35	26	pharmaceutical	pharmaceutical	ADJ
eurjchem-2028	35	27	interest	interest	NOUN
eurjchem-2028	36	1	[	[	X
eurjchem-2028	36	2	23,24	23,24	ADP
eurjchem-2028	36	3	]	]	PUNCT
eurjchem-2028	36	4	.	.	PUNCT
eurjchem-2028	37	1	abstract	abstract	ADJ
eurjchem-2028	37	2	research	research	NOUN
eurjchem-2028	37	3	article	article	NOUN
eurjchem-2028	37	4	keywords	keyword	VERB
eurjchem-2028	37	5	http://dx.doi.org/10.5155/eurjchem.11.4.324-333.2028	http://dx.doi.org/10.5155/eurjchem.11.4.324-333.2028	PROPN
eurjchem-2028	37	6	http://www.eurjchem.com/	http://www.eurjchem.com/	NOUN
eurjchem-2028	37	7	http://dx.doi.org/10.5155/eurjchem.11.4.324-333.2028	http://dx.doi.org/10.5155/eurjchem.11.4.324-333.2028	PROPN
eurjchem-2028	37	8	mailto:gopalgulshan1992@gmail.com	mailto:gopalgulshan1992@gmail.com	PROPN
eurjchem-2028	37	9	mailto:anshuluppal629@gmail.com	mailto:anshuluppal629@gmail.com	X
eurjchem-2028	37	10	mailto:sumatianthal@gmail.com	mailto:sumatianthal@gmail.com	PROPN
eurjchem-2028	38	1	mailto:rkant.ju@gmail.com	mailto:rkant.ju@gmail.com	X
eurjchem-2028	38	2	mailto:m_deshmukh1@rediffmail.com	mailto:m_deshmukh1@rediffmail.com	X
eurjchem-2028	39	1	mailto:mohire.priyanka258@gmail.com	mailto:mohire.priyanka258@gmail.com	PROPN
eurjchem-2028	39	2	mailto:trbhosale2013@gmail.com	mailto:trbhosale2013@gmail.com	X
eurjchem-2028	39	3	mailto:c.sudarsan.mgu@gmail.com	mailto:c.sudarsan.mgu@gmail.com	NUM
eurjchem-2028	39	4	mailto:rkant.ju@gmail.com	mailto:rkant.ju@gmail.com	PROPN
eurjchem-2028	39	5	http://www.eurjchem.com/	http://www.eurjchem.com/	PROPN
eurjchem-2028	39	6	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.11.4.324-333.2028&domain=pdf&date_stamp=2020-12-31	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.11.4.324-333.2028&domain=pdf&date_stamp=2020-12-31	PROPN
eurjchem-2028	39	7	sharma	sharma	PROPN
eurjchem-2028	39	8	et	et	PROPN
eurjchem-2028	39	9	al	al	PROPN
eurjchem-2028	39	10	.	.	PUNCT
eurjchem-2028	39	11	/	/	SYM
eurjchem-2028	39	12	european	european	PROPN
eurjchem-2028	39	13	journal	journal	PROPN
eurjchem-2028	39	14	of	of	ADP
eurjchem-2028	39	15	chemistry	chemistry	NOUN
eurjchem-2028	39	16	11	11	NUM
eurjchem-2028	39	17	(	(	PUNCT
eurjchem-2028	39	18	4	4	NUM
eurjchem-2028	39	19	)	)	PUNCT
eurjchem-2028	39	20	(	(	PUNCT
eurjchem-2028	39	21	2020	2020	NUM
eurjchem-2028	39	22	)	)	PUNCT
eurjchem-2028	39	23	324	324	NUM
eurjchem-2028	39	24	-	-	SYM
eurjchem-2028	39	25	333	333	NUM
eurjchem-2028	39	26	325	325	NUM
eurjchem-2028	39	27	2020	2020	NUM
eurjchem-2028	39	28	–	–	PUNCT
eurjchem-2028	39	29	european	european	ADJ
eurjchem-2028	39	30	journal	journal	NOUN
eurjchem-2028	39	31	of	of	ADP
eurjchem-2028	39	32	chemistry	chemistry	NOUN
eurjchem-2028	39	33	–	–	PUNCT
eurjchem-2028	39	34	cc	cc	NOUN
eurjchem-2028	39	35	by	by	ADP
eurjchem-2028	39	36	nc	nc	PROPN
eurjchem-2028	39	37	–	–	PUNCT
eurjchem-2028	39	38	doi	doi	NOUN
eurjchem-2028	39	39	:	:	PUNCT
eurjchem-2028	39	40	10.5155	10.5155	NUM
eurjchem-2028	39	41	/	/	SYM
eurjchem-2028	39	42	eurjchem.11.4.324	eurjchem.11.4.324	NUM
eurjchem-2028	39	43	-	-	SYM
eurjchem-2028	39	44	333.2028	333.2028	NUM
eurjchem-2028	39	45	o	o	NOUN
eurjchem-2028	39	46	o	o	NOUN
eurjchem-2028	40	1	oh	oh	INTJ
eurjchem-2028	40	2	+	+	NUM
eurjchem-2028	40	3	o	o	NOUN
eurjchem-2028	40	4	h	h	NOUN
eurjchem-2028	40	5	n	n	NOUN
eurjchem-2028	40	6	h	h	NOUN
eurjchem-2028	40	7	h	h	NOUN
eurjchem-2028	40	8	n	n	PROPN
eurjchem-2028	40	9	+	+	NUM
eurjchem-2028	40	10	s	s	NOUN
eurjchem-2028	40	11	n	n	PRON
eurjchem-2028	40	12	nh2	nh2	NOUN
eurjchem-2028	41	1	o	o	NOUN
eurjchem-2028	42	1	o	o	INTJ
eurjchem-2028	43	1	oh	oh	INTJ
eurjchem-2028	43	2	o	o	INTJ
eurjchem-2028	44	1	oh	oh	INTJ
eurjchem-2028	44	2	o	o	INTJ
eurjchem-2028	44	3	nh	nh	INTJ
eurjchem-2028	45	1	hn	hn	PROPN
eurjchem-2028	45	2	s	s	VERB
eurjchem-2028	45	3	h	h	NOUN
eurjchem-2028	46	1	n	n	PROPN
eurjchem-2028	46	2	h3c	h3c	X
eurjchem-2028	46	3	nh	nh	PROPN
eurjchem-2028	46	4	reflux	reflux	NOUN
eurjchem-2028	46	5	ltmm	ltmm	PROPN
eurjchem-2028	46	6	h	h	PROPN
eurjchem-2028	46	7	scheme	scheme	NOUN
eurjchem-2028	46	8	1	1	NUM
eurjchem-2028	46	9	.	.	PUNCT
eurjchem-2028	46	10	reaction	reaction	NOUN
eurjchem-2028	46	11	scheme	scheme	NOUN
eurjchem-2028	46	12	of	of	ADP
eurjchem-2028	46	13	3,3'-[(3	3,3'-[(3	NUM
eurjchem-2028	46	14	-	-	PUNCT
eurjchem-2028	46	15	benzimidazolyl)methylene]bis(4	benzimidazolyl)methylene]bis(4	NOUN
eurjchem-2028	46	16	-	-	PUNCT
eurjchem-2028	46	17	hydroxy-2h-1	hydroxy-2h-1	NOUN
eurjchem-2028	46	18	-	-	PUNCT
eurjchem-2028	46	19	benzopyran-2	benzopyran-2	NOUN
eurjchem-2028	46	20	-	-	PUNCT
eurjchem-2028	46	21	one):5	one):5	ADP
eurjchem-2028	46	22	-	-	PUNCT
eurjchem-2028	46	23	methyl-1,3	methyl-1,3	NOUN
eurjchem-2028	46	24	-	-	PUNCT
eurjchem-2028	46	25	thiazol-2(3h)-imine	thiazol-2(3h)-imine	NOUN
eurjchem-2028	46	26	.	.	PUNCT
eurjchem-2028	47	1	with	with	ADP
eurjchem-2028	47	2	the	the	DET
eurjchem-2028	47	3	importance	importance	NOUN
eurjchem-2028	47	4	of	of	ADP
eurjchem-2028	47	5	both	both	DET
eurjchem-2028	47	6	coumarin	coumarin	NOUN
eurjchem-2028	47	7	and	and	CCONJ
eurjchem-2028	47	8	thiazole	thiazole	NOUN
eurjchem-2028	47	9	pharmaceuticals	pharmaceutical	NOUN
eurjchem-2028	47	10	in	in	ADP
eurjchem-2028	47	11	mind	mind	NOUN
eurjchem-2028	47	12	,	,	PUNCT
eurjchem-2028	47	13	we	we	PRON
eurjchem-2028	47	14	were	be	AUX
eurjchem-2028	47	15	interested	interested	ADJ
eurjchem-2028	47	16	in	in	ADP
eurjchem-2028	47	17	developing	develop	VERB
eurjchem-2028	47	18	a	a	DET
eurjchem-2028	47	19	synthetic	synthetic	ADJ
eurjchem-2028	47	20	route	route	NOUN
eurjchem-2028	47	21	to	to	ADP
eurjchem-2028	47	22	a	a	DET
eurjchem-2028	47	23	binary	binary	ADJ
eurjchem-2028	47	24	complex	complex	NOUN
eurjchem-2028	47	25	that	that	PRON
eurjchem-2028	47	26	contains	contain	VERB
eurjchem-2028	47	27	both	both	DET
eurjchem-2028	47	28	entities	entity	NOUN
eurjchem-2028	47	29	with	with	ADP
eurjchem-2028	47	30	the	the	DET
eurjchem-2028	47	31	aim	aim	NOUN
eurjchem-2028	47	32	of	of	ADP
eurjchem-2028	47	33	exploring	explore	VERB
eurjchem-2028	47	34	whether	whether	SCONJ
eurjchem-2028	47	35	or	or	CCONJ
eurjchem-2028	47	36	not	not	PART
eurjchem-2028	47	37	the	the	DET
eurjchem-2028	47	38	effects	effect	NOUN
eurjchem-2028	47	39	of	of	ADP
eurjchem-2028	47	40	the	the	DET
eurjchem-2028	47	41	two	two	NUM
eurjchem-2028	47	42	units	unit	NOUN
eurjchem-2028	47	43	would	would	AUX
eurjchem-2028	47	44	work	work	VERB
eurjchem-2028	47	45	in	in	ADP
eurjchem-2028	47	46	concert	concert	NOUN
eurjchem-2028	47	47	in	in	ADP
eurjchem-2028	47	48	a	a	DET
eurjchem-2028	47	49	pharmaceutical	pharmaceutical	ADJ
eurjchem-2028	47	50	sense	sense	NOUN
eurjchem-2028	47	51	in	in	ADP
eurjchem-2028	47	52	the	the	DET
eurjchem-2028	47	53	combined	combine	VERB
eurjchem-2028	47	54	molecules	molecule	NOUN
eurjchem-2028	47	55	[	[	X
eurjchem-2028	47	56	4,25	4,25	X
eurjchem-2028	47	57	]	]	X
eurjchem-2028	47	58	.	.	PUNCT
eurjchem-2028	48	1	the	the	DET
eurjchem-2028	48	2	present	present	ADJ
eurjchem-2028	48	3	study	study	NOUN
eurjchem-2028	48	4	is	be	AUX
eurjchem-2028	48	5	focused	focus	VERB
eurjchem-2028	48	6	on	on	ADP
eurjchem-2028	48	7	synthesis	synthesis	NOUN
eurjchem-2028	48	8	,	,	PUNCT
eurjchem-2028	48	9	x	x	NOUN
eurjchem-2028	48	10	-	-	NOUN
eurjchem-2028	48	11	ray	ray	NOUN
eurjchem-2028	48	12	structure	structure	NOUN
eurjchem-2028	48	13	,	,	PUNCT
eurjchem-2028	48	14	and	and	CCONJ
eurjchem-2028	48	15	dft	dft	VERB
eurjchem-2028	48	16	analysis	analysis	NOUN
eurjchem-2028	48	17	of	of	ADP
eurjchem-2028	48	18	a	a	DET
eurjchem-2028	48	19	binary	binary	ADJ
eurjchem-2028	48	20	complex	complex	NOUN
eurjchem-2028	48	21	of	of	ADP
eurjchem-2028	48	22	3,3'-[(3	3,3'-[(3	NUM
eurjchem-2028	48	23	-	-	PUNCT
eurjchem-2028	48	24	benzimidazolyl)methylene]bis(4	benzimidazolyl)methylene]bis(4	NOUN
eurjchem-2028	48	25	-	-	PUNCT
eurjchem-2028	48	26	hydroxy-2h-1	hydroxy-2h-1	NOUN
eurjchem-2028	48	27	-	-	PUNCT
eurjchem-2028	48	28	benzopyran-2	benzopyran-2	NOUN
eurjchem-2028	48	29	-	-	PUNCT
eurjchem-2028	48	30	one):5methyl-1,3	one):5methyl-1,3	NOUN
eurjchem-2028	48	31	-	-	PUNCT
eurjchem-2028	48	32	thiazol-2(3h)-imine	thiazol-2(3h)-imine	NOUN
eurjchem-2028	48	33	.	.	PUNCT
eurjchem-2028	49	1	studies	study	NOUN
eurjchem-2028	49	2	on	on	ADP
eurjchem-2028	49	3	single	single	ADJ
eurjchem-2028	49	4	crystal	crystal	NOUN
eurjchem-2028	49	5	structure	structure	NOUN
eurjchem-2028	49	6	,	,	PUNCT
eurjchem-2028	49	7	crystal	crystal	NOUN
eurjchem-2028	49	8	packing	packing	NOUN
eurjchem-2028	49	9	,	,	PUNCT
eurjchem-2028	49	10	molecular	molecular	ADJ
eurjchem-2028	49	11	electrostatic	electrostatic	ADJ
eurjchem-2028	49	12	potential	potential	ADJ
eurjchem-2028	49	13	map	map	NOUN
eurjchem-2028	49	14	,	,	PUNCT
eurjchem-2028	49	15	and	and	CCONJ
eurjchem-2028	49	16	homo	homo	NOUN
eurjchem-2028	49	17	-	-	PUNCT
eurjchem-2028	49	18	lumo	lumo	NOUN
eurjchem-2028	49	19	plots	plot	NOUN
eurjchem-2028	49	20	provide	provide	VERB
eurjchem-2028	49	21	supportive	supportive	ADJ
eurjchem-2028	49	22	information	information	NOUN
eurjchem-2028	49	23	about	about	ADP
eurjchem-2028	49	24	the	the	DET
eurjchem-2028	49	25	crystal	crystal	NOUN
eurjchem-2028	49	26	.	.	PUNCT
eurjchem-2028	50	1	the	the	DET
eurjchem-2028	50	2	calculated	calculate	VERB
eurjchem-2028	50	3	optimized	optimize	VERB
eurjchem-2028	50	4	structural	structural	ADJ
eurjchem-2028	50	5	parameters	parameter	NOUN
eurjchem-2028	50	6	were	be	AUX
eurjchem-2028	50	7	compared	compare	VERB
eurjchem-2028	50	8	and	and	CCONJ
eurjchem-2028	50	9	the	the	DET
eurjchem-2028	50	10	parameters	parameter	NOUN
eurjchem-2028	50	11	like	like	ADP
eurjchem-2028	50	12	ionization	ionization	NOUN
eurjchem-2028	50	13	potential	potential	NOUN
eurjchem-2028	50	14	,	,	PUNCT
eurjchem-2028	50	15	electron	electron	NOUN
eurjchem-2028	50	16	affinity	affinity	NOUN
eurjchem-2028	50	17	,	,	PUNCT
eurjchem-2028	50	18	global	global	ADJ
eurjchem-2028	50	19	hardness	hardness	NOUN
eurjchem-2028	50	20	,	,	PUNCT
eurjchem-2028	50	21	electron	electron	NOUN
eurjchem-2028	50	22	chemical	chemical	NOUN
eurjchem-2028	50	23	potential	potential	NOUN
eurjchem-2028	50	24	,	,	PUNCT
eurjchem-2028	50	25	electronegativity	electronegativity	NOUN
eurjchem-2028	50	26	,	,	PUNCT
eurjchem-2028	50	27	and	and	CCONJ
eurjchem-2028	50	28	global	global	ADJ
eurjchem-2028	50	29	electrophilicity	electrophilicity	NOUN
eurjchem-2028	50	30	based	base	VERB
eurjchem-2028	50	31	on	on	ADP
eurjchem-2028	50	32	homo	homo	NOUN
eurjchem-2028	50	33	and	and	CCONJ
eurjchem-2028	50	34	lumo	lumo	NOUN
eurjchem-2028	50	35	energy	energy	NOUN
eurjchem-2028	50	36	values	value	NOUN
eurjchem-2028	50	37	were	be	AUX
eurjchem-2028	50	38	calculated	calculate	VERB
eurjchem-2028	50	39	at	at	ADP
eurjchem-2028	50	40	b3lyp/6311g(d	b3lyp/6311g(d	PROPN
eurjchem-2028	50	41	,	,	PUNCT
eurjchem-2028	50	42	p	p	NOUN
eurjchem-2028	50	43	)	)	PUNCT
eurjchem-2028	50	44	level	level	NOUN
eurjchem-2028	50	45	of	of	ADP
eurjchem-2028	50	46	theory	theory	NOUN
eurjchem-2028	50	47	for	for	ADP
eurjchem-2028	50	48	a	a	DET
eurjchem-2028	50	49	better	well	ADJ
eurjchem-2028	50	50	understanding	understanding	NOUN
eurjchem-2028	50	51	of	of	ADP
eurjchem-2028	50	52	the	the	DET
eurjchem-2028	50	53	structural	structural	ADJ
eurjchem-2028	50	54	properties	property	NOUN
eurjchem-2028	50	55	.	.	PUNCT
eurjchem-2028	51	1	2	2	X
eurjchem-2028	51	2	.	.	X
eurjchem-2028	51	3	experimental	experimental	ADJ
eurjchem-2028	51	4	2.1	2.1	NUM
eurjchem-2028	51	5	.	.	PUNCT
eurjchem-2028	51	6	materials	material	NOUN
eurjchem-2028	51	7	and	and	CCONJ
eurjchem-2028	51	8	instrumentations	instrumentation	NOUN
eurjchem-2028	51	9	all	all	DET
eurjchem-2028	51	10	chemicals	chemical	NOUN
eurjchem-2028	51	11	were	be	AUX
eurjchem-2028	51	12	purchased	purchase	VERB
eurjchem-2028	51	13	from	from	ADP
eurjchem-2028	51	14	alfa	alfa	NOUN
eurjchem-2028	51	15	aesar	aesar	PROPN
eurjchem-2028	51	16	and	and	CCONJ
eurjchem-2028	51	17	spectrochem	spectrochem	PROPN
eurjchem-2028	51	18	(	(	PUNCT
eurjchem-2028	51	19	pvt	pvt	PROPN
eurjchem-2028	51	20	.	.	PROPN
eurjchem-2028	51	21	ltd	ltd	PROPN
eurjchem-2028	51	22	,	,	PUNCT
eurjchem-2028	51	23	mumbai	mumbai	PROPN
eurjchem-2028	51	24	,	,	PUNCT
eurjchem-2028	51	25	india	india	PROPN
eurjchem-2028	51	26	)	)	PUNCT
eurjchem-2028	51	27	,	,	PUNCT
eurjchem-2028	51	28	sigma	sigma	PROPN
eurjchem-2028	51	29	aldrich	aldrich	PROPN
eurjchem-2028	51	30	and	and	CCONJ
eurjchem-2028	51	31	used	use	VERB
eurjchem-2028	51	32	without	without	ADP
eurjchem-2028	51	33	purification	purification	NOUN
eurjchem-2028	51	34	.	.	PUNCT
eurjchem-2028	52	1	the	the	DET
eurjchem-2028	52	2	reaction	reaction	NOUN
eurjchem-2028	52	3	was	be	AUX
eurjchem-2028	52	4	monitored	monitor	VERB
eurjchem-2028	52	5	by	by	ADP
eurjchem-2028	52	6	tlc	tlc	PROPN
eurjchem-2028	52	7	.	.	PUNCT
eurjchem-2028	53	1	the	the	DET
eurjchem-2028	53	2	desired	desire	VERB
eurjchem-2028	53	3	structures	structure	NOUN
eurjchem-2028	53	4	of	of	ADP
eurjchem-2028	53	5	the	the	DET
eurjchem-2028	53	6	synthesized	synthesize	VERB
eurjchem-2028	53	7	compounds	compound	NOUN
eurjchem-2028	53	8	were	be	AUX
eurjchem-2028	53	9	confirmed	confirm	VERB
eurjchem-2028	53	10	by	by	ADP
eurjchem-2028	53	11	their	their	PRON
eurjchem-2028	53	12	relevant	relevant	ADJ
eurjchem-2028	53	13	spectral	spectral	ADJ
eurjchem-2028	53	14	data	datum	NOUN
eurjchem-2028	53	15	.	.	PUNCT
eurjchem-2028	54	1	the	the	DET
eurjchem-2028	54	2	melting	melting	NOUN
eurjchem-2028	54	3	points	point	NOUN
eurjchem-2028	54	4	were	be	AUX
eurjchem-2028	54	5	determined	determine	VERB
eurjchem-2028	54	6	by	by	ADP
eurjchem-2028	54	7	the	the	DET
eurjchem-2028	54	8	open	open	ADJ
eurjchem-2028	54	9	glass	glass	NOUN
eurjchem-2028	54	10	capillary	capillary	ADJ
eurjchem-2028	54	11	method	method	NOUN
eurjchem-2028	54	12	and	and	CCONJ
eurjchem-2028	54	13	are	be	AUX
eurjchem-2028	54	14	uncorrected	uncorrecte	VERB
eurjchem-2028	54	15	.	.	PUNCT
eurjchem-2028	55	1	the	the	DET
eurjchem-2028	55	2	compounds	compound	NOUN
eurjchem-2028	55	3	were	be	AUX
eurjchem-2028	55	4	confirmed	confirm	VERB
eurjchem-2028	55	5	by	by	ADP
eurjchem-2028	55	6	ir	ir	PROPN
eurjchem-2028	55	7	and	and	CCONJ
eurjchem-2028	55	8	1h	1h	NUM
eurjchem-2028	55	9	nmr	nmr	PROPN
eurjchem-2028	55	10	spectral	spectral	ADJ
eurjchem-2028	55	11	data	datum	NOUN
eurjchem-2028	55	12	.	.	PUNCT
eurjchem-2028	56	1	the	the	DET
eurjchem-2028	56	2	ir	ir	PROPN
eurjchem-2028	56	3	spectra	spectra	PROPN
eurjchem-2028	56	4	were	be	AUX
eurjchem-2028	56	5	recorded	record	VERB
eurjchem-2028	56	6	on	on	ADP
eurjchem-2028	56	7	a	a	DET
eurjchem-2028	56	8	jasco	jasco	ADJ
eurjchem-2028	56	9	ft	ft	PROPN
eurjchem-2028	56	10	-	-	PUNCT
eurjchem-2028	56	11	ir	ir	NOUN
eurjchem-2028	56	12	spectrophotometer	spectrophotometer	NOUN
eurjchem-2028	56	13	(	(	PUNCT
eurjchem-2028	56	14	ftir-4600	ftir-4600	NOUN
eurjchem-2028	56	15	)	)	PUNCT
eurjchem-2028	56	16	and	and	CCONJ
eurjchem-2028	56	17	the	the	DET
eurjchem-2028	56	18	values	value	NOUN
eurjchem-2028	56	19	are	be	AUX
eurjchem-2028	56	20	expressed	express	VERB
eurjchem-2028	56	21	as	as	ADP
eurjchem-2028	56	22	νmax	νmax	NOUN
eurjchem-2028	56	23	(	(	PUNCT
eurjchem-2028	56	24	cm-1	cm-1	PROPN
eurjchem-2028	56	25	)	)	PUNCT
eurjchem-2028	56	26	.	.	PUNCT
eurjchem-2028	57	1	the	the	DET
eurjchem-2028	57	2	1h	1h	NUM
eurjchem-2028	57	3	nmr	nmr	NOUN
eurjchem-2028	57	4	spectra	spectra	NOUN
eurjchem-2028	57	5	were	be	AUX
eurjchem-2028	57	6	recorded	record	VERB
eurjchem-2028	57	7	on	on	ADP
eurjchem-2028	57	8	bruker	bruker	PROPN
eurjchem-2028	57	9	avance	avance	PROPN
eurjchem-2028	57	10	ii	ii	PROPN
eurjchem-2028	57	11	300	300	NUM
eurjchem-2028	57	12	mhz	mhz	NOUN
eurjchem-2028	57	13	using	use	VERB
eurjchem-2028	57	14	dmso	dmso	NOUN
eurjchem-2028	57	15	-	-	PUNCT
eurjchem-2028	57	16	d6	d6	NOUN
eurjchem-2028	57	17	as	as	ADP
eurjchem-2028	57	18	a	a	DET
eurjchem-2028	57	19	solvent	solvent	NOUN
eurjchem-2028	57	20	and	and	CCONJ
eurjchem-2028	57	21	tms	tms	PROPN
eurjchem-2028	57	22	as	as	ADP
eurjchem-2028	57	23	an	an	DET
eurjchem-2028	57	24	internal	internal	ADJ
eurjchem-2028	57	25	standard	standard	NOUN
eurjchem-2028	57	26	.	.	PUNCT
eurjchem-2028	58	1	2.2	2.2	NUM
eurjchem-2028	58	2	.	.	PUNCT
eurjchem-2028	58	3	synthesis	synthesis	NOUN
eurjchem-2028	58	4	of	of	ADP
eurjchem-2028	58	5	3,3'-[(3	3,3'-[(3	NUM
eurjchem-2028	58	6	-	-	PUNCT
eurjchem-2028	58	7	benzimidazolyl)methylene]bis(4hydroxy-2h-1	benzimidazolyl)methylene]bis(4hydroxy-2h-1	NOUN
eurjchem-2028	58	8	-	-	PUNCT
eurjchem-2028	58	9	benzopyran-2	benzopyran-2	NOUN
eurjchem-2028	58	10	-	-	PUNCT
eurjchem-2028	58	11	one):5	one):5	ADP
eurjchem-2028	58	12	-	-	PUNCT
eurjchem-2028	58	13	methyl-1,3	methyl-1,3	NOUN
eurjchem-2028	58	14	-	-	PUNCT
eurjchem-2028	58	15	thiazol2(3h)-imine	thiazol2(3h)-imine	NOUN
eurjchem-2028	58	16	a	a	DET
eurjchem-2028	58	17	mixture	mixture	NOUN
eurjchem-2028	58	18	of	of	ADP
eurjchem-2028	58	19	4	4	NUM
eurjchem-2028	58	20	-	-	PUNCT
eurjchem-2028	58	21	hydroxycoumarin	hydroxycoumarin	NOUN
eurjchem-2028	58	22	(	(	PUNCT
eurjchem-2028	58	23	1	1	NUM
eurjchem-2028	58	24	mmole	mmole	NOUN
eurjchem-2028	58	25	)	)	PUNCT
eurjchem-2028	58	26	and	and	CCONJ
eurjchem-2028	58	27	dihydro	dihydro	NOUN
eurjchem-2028	58	28	benzimidazole	benzimidazole	VERB
eurjchem-2028	58	29	5	5	NUM
eurjchem-2028	58	30	-	-	PUNCT
eurjchem-2028	58	31	carbaldehyde	carbaldehyde	NOUN
eurjchem-2028	58	32	(	(	PUNCT
eurjchem-2028	58	33	1	1	NUM
eurjchem-2028	58	34	mmole	mmole	NOUN
eurjchem-2028	58	35	)	)	PUNCT
eurjchem-2028	58	36	,	,	PUNCT
eurjchem-2028	58	37	with	with	SCONJ
eurjchem-2028	58	38	5	5	NUM
eurjchem-2028	58	39	ml	ml	NOUN
eurjchem-2028	58	40	low	low	ADJ
eurjchem-2028	58	41	transition	transition	NOUN
eurjchem-2028	58	42	temperature	temperature	NOUN
eurjchem-2028	58	43	mixture	mixture	NOUN
eurjchem-2028	58	44	was	be	AUX
eurjchem-2028	58	45	taken	take	VERB
eurjchem-2028	58	46	in	in	ADP
eurjchem-2028	58	47	a	a	DET
eurjchem-2028	58	48	50	50	NUM
eurjchem-2028	58	49	ml	ml	NOUN
eurjchem-2028	58	50	round	round	ADJ
eurjchem-2028	58	51	bottomed	bottom	VERB
eurjchem-2028	58	52	flask	flask	NOUN
eurjchem-2028	58	53	at	at	ADP
eurjchem-2028	58	54	room	room	NOUN
eurjchem-2028	58	55	temperature	temperature	NOUN
eurjchem-2028	58	56	to	to	PART
eurjchem-2028	58	57	form	form	VERB
eurjchem-2028	58	58	the	the	DET
eurjchem-2028	58	59	knoevenagel	knoevenagel	NOUN
eurjchem-2028	58	60	condensation	condensation	NOUN
eurjchem-2028	58	61	product	product	NOUN
eurjchem-2028	58	62	,	,	PUNCT
eurjchem-2028	58	63	monitored	monitor	VERB
eurjchem-2028	58	64	by	by	ADP
eurjchem-2028	58	65	tlc	tlc	NOUN
eurjchem-2028	58	66	and	and	CCONJ
eurjchem-2028	58	67	then	then	ADV
eurjchem-2028	58	68	2	2	NUM
eurjchem-2028	58	69	-	-	PUNCT
eurjchem-2028	58	70	amino	amino	NOUN
eurjchem-2028	58	71	5methyl	5methyl	PROPN
eurjchem-2028	58	72	thiazole	thiazole	NOUN
eurjchem-2028	58	73	(	(	PUNCT
eurjchem-2028	58	74	1	1	NUM
eurjchem-2028	58	75	mmole	mmole	NOUN
eurjchem-2028	58	76	)	)	PUNCT
eurjchem-2028	58	77	was	be	AUX
eurjchem-2028	58	78	added	add	VERB
eurjchem-2028	58	79	and	and	CCONJ
eurjchem-2028	58	80	the	the	DET
eurjchem-2028	58	81	same	same	ADJ
eurjchem-2028	58	82	reaction	reaction	NOUN
eurjchem-2028	58	83	mixture	mixture	NOUN
eurjchem-2028	58	84	refluxed	refluxe	VERB
eurjchem-2028	58	85	for	for	ADP
eurjchem-2028	58	86	20	20	NUM
eurjchem-2028	58	87	min	min	NOUN
eurjchem-2028	58	88	.	.	PUNCT
eurjchem-2028	59	1	the	the	DET
eurjchem-2028	59	2	2	2	NUM
eurjchem-2028	59	3	-	-	PUNCT
eurjchem-2028	59	4	amino	amino	ADJ
eurjchem-2028	59	5	5	5	NUM
eurjchem-2028	59	6	-	-	PUNCT
eurjchem-2028	59	7	methyl	methyl	NOUN
eurjchem-2028	59	8	thiazole	thiazole	NOUN
eurjchem-2028	59	9	is	be	AUX
eurjchem-2028	59	10	not	not	PART
eurjchem-2028	59	11	involved	involve	VERB
eurjchem-2028	59	12	in	in	ADP
eurjchem-2028	59	13	the	the	DET
eurjchem-2028	59	14	knoevenagel	knoevenagel	NOUN
eurjchem-2028	59	15	condensation	condensation	NOUN
eurjchem-2028	59	16	,	,	PUNCT
eurjchem-2028	59	17	however	however	ADV
eurjchem-2028	59	18	,	,	PUNCT
eurjchem-2028	59	19	it	it	PRON
eurjchem-2028	59	20	forms	form	VERB
eurjchem-2028	59	21	a	a	DET
eurjchem-2028	59	22	conglomerate	conglomerate	NOUN
eurjchem-2028	59	23	with	with	ADP
eurjchem-2028	59	24	the	the	DET
eurjchem-2028	59	25	chiral	chiral	ADJ
eurjchem-2028	59	26	product	product	NOUN
eurjchem-2028	59	27	formed	form	VERB
eurjchem-2028	59	28	by	by	ADP
eurjchem-2028	59	29	the	the	DET
eurjchem-2028	59	30	condensation	condensation	NOUN
eurjchem-2028	59	31	of	of	ADP
eurjchem-2028	59	32	two	two	NUM
eurjchem-2028	59	33	molecules	molecule	NOUN
eurjchem-2028	59	34	of	of	ADP
eurjchem-2028	59	35	4	4	NUM
eurjchem-2028	59	36	-	-	PUNCT
eurjchem-2028	59	37	hydroxy	hydroxy	NOUN
eurjchem-2028	59	38	coumarin	coumarin	NOUN
eurjchem-2028	59	39	with	with	ADP
eurjchem-2028	59	40	5formyl	5formyl	NUM
eurjchem-2028	59	41	dihydrobenzimidazole	dihydrobenzimidazole	NOUN
eurjchem-2028	59	42	which	which	PRON
eurjchem-2028	59	43	separates	separate	VERB
eurjchem-2028	59	44	in	in	ADP
eurjchem-2028	59	45	the	the	DET
eurjchem-2028	59	46	form	form	NOUN
eurjchem-2028	59	47	of	of	ADP
eurjchem-2028	59	48	transparent	transparent	ADJ
eurjchem-2028	59	49	crystals	crystal	NOUN
eurjchem-2028	59	50	.	.	PUNCT
eurjchem-2028	60	1	the	the	DET
eurjchem-2028	60	2	progress	progress	NOUN
eurjchem-2028	60	3	of	of	ADP
eurjchem-2028	60	4	the	the	DET
eurjchem-2028	60	5	reaction	reaction	NOUN
eurjchem-2028	60	6	was	be	AUX
eurjchem-2028	60	7	monitored	monitor	VERB
eurjchem-2028	60	8	by	by	ADP
eurjchem-2028	60	9	tlc	tlc	NOUN
eurjchem-2028	60	10	using	use	VERB
eurjchem-2028	60	11	petroleum	petroleum	NOUN
eurjchem-2028	60	12	ether	ether	NOUN
eurjchem-2028	60	13	:	:	PUNCT
eurjchem-2028	60	14	ethyl	ethyl	PROPN
eurjchem-2028	60	15	acetate	acetate	PROPN
eurjchem-2028	60	16	(	(	PUNCT
eurjchem-2028	60	17	8:2	8:2	NUM
eurjchem-2028	60	18	,	,	PUNCT
eurjchem-2028	60	19	v	v	NOUN
eurjchem-2028	60	20	:	:	PUNCT
eurjchem-2028	60	21	v	v	NOUN
eurjchem-2028	60	22	)	)	PUNCT
eurjchem-2028	60	23	.	.	PUNCT
eurjchem-2028	61	1	after	after	ADP
eurjchem-2028	61	2	the	the	DET
eurjchem-2028	61	3	completion	completion	NOUN
eurjchem-2028	61	4	of	of	ADP
eurjchem-2028	61	5	the	the	DET
eurjchem-2028	61	6	reaction	reaction	NOUN
eurjchem-2028	61	7	,	,	PUNCT
eurjchem-2028	61	8	the	the	DET
eurjchem-2028	61	9	mixture	mixture	NOUN
eurjchem-2028	61	10	was	be	AUX
eurjchem-2028	61	11	cooled	cool	VERB
eurjchem-2028	61	12	to	to	ADP
eurjchem-2028	61	13	room	room	NOUN
eurjchem-2028	61	14	temperature	temperature	NOUN
eurjchem-2028	61	15	and	and	CCONJ
eurjchem-2028	61	16	the	the	DET
eurjchem-2028	61	17	product	product	NOUN
eurjchem-2028	61	18	collected	collect	VERB
eurjchem-2028	61	19	by	by	ADP
eurjchem-2028	61	20	simple	simple	ADJ
eurjchem-2028	61	21	filtration	filtration	NOUN
eurjchem-2028	61	22	,	,	PUNCT
eurjchem-2028	61	23	washed	wash	VERB
eurjchem-2028	61	24	with	with	ADP
eurjchem-2028	61	25	ethanol	ethanol	NOUN
eurjchem-2028	61	26	and	and	CCONJ
eurjchem-2028	61	27	diethyl	diethyl	NOUN
eurjchem-2028	61	28	ether	ether	NOUN
eurjchem-2028	61	29	.	.	PUNCT
eurjchem-2028	62	1	finally	finally	ADV
eurjchem-2028	62	2	,	,	PUNCT
eurjchem-2028	62	3	the	the	DET
eurjchem-2028	62	4	crude	crude	ADJ
eurjchem-2028	62	5	product	product	NOUN
eurjchem-2028	62	6	was	be	AUX
eurjchem-2028	62	7	recrystallized	recrystallize	VERB
eurjchem-2028	62	8	from	from	ADP
eurjchem-2028	62	9	ethanol	ethanol	NOUN
eurjchem-2028	62	10	to	to	PART
eurjchem-2028	62	11	obtain	obtain	VERB
eurjchem-2028	62	12	the	the	DET
eurjchem-2028	62	13	pure	pure	ADJ
eurjchem-2028	62	14	product	product	NOUN
eurjchem-2028	62	15	.	.	PUNCT
eurjchem-2028	63	1	the	the	DET
eurjchem-2028	63	2	reaction	reaction	NOUN
eurjchem-2028	63	3	scheme	scheme	NOUN
eurjchem-2028	63	4	of	of	ADP
eurjchem-2028	63	5	the	the	DET
eurjchem-2028	63	6	title	title	NOUN
eurjchem-2028	63	7	compound	compound	NOUN
eurjchem-2028	63	8	is	be	AUX
eurjchem-2028	63	9	shown	show	VERB
eurjchem-2028	63	10	in	in	ADP
eurjchem-2028	63	11	scheme	scheme	NOUN
eurjchem-2028	63	12	1	1	NUM
eurjchem-2028	63	13	.	.	NOUN
eurjchem-2028	63	14	3	3	NUM
eurjchem-2028	63	15	,	,	PUNCT
eurjchem-2028	63	16	3'-[(3	3'-[(3	NUM
eurjchem-2028	63	17	-	-	SYM
eurjchem-2028	63	18	benzimidazolyl)methylene	benzimidazolyl)methylene	NOUN
eurjchem-2028	63	19	]	]	PUNCT
eurjchem-2028	63	20	bis(4	bis(4	NOUN
eurjchem-2028	63	21	-	-	PUNCT
eurjchem-2028	63	22	hydroxy-2h-1	hydroxy-2h-1	PROPN
eurjchem-2028	63	23	-	-	PUNCT
eurjchem-2028	63	24	ben	ben	PROPN
eurjchem-2028	63	25	zopyran-2	zopyran-2	NUM
eurjchem-2028	63	26	-	-	PUNCT
eurjchem-2028	63	27	one):5	one):5	ADP
eurjchem-2028	63	28	-	-	PUNCT
eurjchem-2028	63	29	methyl-1,3	methyl-1,3	NOUN
eurjchem-2028	63	30	-	-	PUNCT
eurjchem-2028	63	31	thiazol-2(3h)-imine	thiazol-2(3h)-imine	NOUN
eurjchem-2028	63	32	:	:	PUNCT
eurjchem-2028	63	33	yield	yield	NOUN
eurjchem-2028	63	34	:	:	PUNCT
eurjchem-2028	63	35	60	60	NUM
eurjchem-2028	63	36	%	%	NOUN
eurjchem-2028	63	37	.	.	PUNCT
eurjchem-2028	64	1	m.p	m.p	PROPN
eurjchem-2028	64	2	.	.	PROPN
eurjchem-2028	64	3	208	208	NUM
eurjchem-2028	64	4	-	-	SYM
eurjchem-2028	64	5	210	210	NUM
eurjchem-2028	64	6	ᵒc	ᵒc	NOUN
eurjchem-2028	64	7	.	.	PUNCT
eurjchem-2028	65	1	ft	ft	PROPN
eurjchem-2028	65	2	-	-	PUNCT
eurjchem-2028	65	3	ir	ir	PROPN
eurjchem-2028	65	4	(	(	PUNCT
eurjchem-2028	65	5	kbr	kbr	PROPN
eurjchem-2028	65	6	,	,	PUNCT
eurjchem-2028	65	7	ν	ν	PROPN
eurjchem-2028	65	8	,	,	PUNCT
eurjchem-2028	65	9	cm-1	cm-1	NUM
eurjchem-2028	65	10	):	):	PUNCT
eurjchem-2028	65	11	3300	3300	NUM
eurjchem-2028	65	12	-	-	SYM
eurjchem-2028	65	13	3150(nh	3150(nh	NUM
eurjchem-2028	65	14	)	)	PUNCT
eurjchem-2028	65	15	,	,	PUNCT
eurjchem-2028	65	16	2930(ch	2930(ch	NUM
eurjchem-2028	65	17	)	)	PUNCT
eurjchem-2028	65	18	,	,	PUNCT
eurjchem-2028	65	19	1670	1670	NUM
eurjchem-2028	65	20	(	(	PUNCT
eurjchem-2028	65	21	c	c	NOUN
eurjchem-2028	65	22	=	=	NOUN
eurjchem-2028	65	23	o	o	NOUN
eurjchem-2028	65	24	)	)	PUNCT
eurjchem-2028	65	25	,	,	PUNCT
eurjchem-2028	65	26	1605	1605	NUM
eurjchem-2028	65	27	(	(	PUNCT
eurjchem-2028	65	28	c	c	X
eurjchem-2028	65	29	=	=	SYM
eurjchem-2028	65	30	c	c	NOUN
eurjchem-2028	65	31	)	)	PUNCT
eurjchem-2028	65	32	.	.	PUNCT
eurjchem-2028	66	1	1h	1h	NUM
eurjchem-2028	66	2	nmr	nmr	NOUN
eurjchem-2028	66	3	(	(	PUNCT
eurjchem-2028	66	4	300	300	NUM
eurjchem-2028	66	5	mhz	mhz	NOUN
eurjchem-2028	66	6	,	,	PUNCT
eurjchem-2028	66	7	dmso	dmso	NOUN
eurjchem-2028	66	8	-	-	NOUN
eurjchem-2028	66	9	d6	d6	NOUN
eurjchem-2028	66	10	,	,	PUNCT
eurjchem-2028	66	11	δ	δ	PROPN
eurjchem-2028	66	12	,	,	PUNCT
eurjchem-2028	66	13	ppm	ppm	NUM
eurjchem-2028	66	14	):	):	PUNCT
eurjchem-2028	66	15	2.1	2.1	NUM
eurjchem-2028	66	16	(	(	PUNCT
eurjchem-2028	66	17	s	s	PROPN
eurjchem-2028	66	18	,	,	PUNCT
eurjchem-2028	66	19	3h	3h	NUM
eurjchem-2028	66	20	,	,	PUNCT
eurjchem-2028	66	21	ch3	ch3	PROPN
eurjchem-2028	66	22	)	)	PUNCT
eurjchem-2028	66	23	,	,	PUNCT
eurjchem-2028	66	24	3.8	3.8	NUM
eurjchem-2028	66	25	(	(	PUNCT
eurjchem-2028	66	26	d	d	NOUN
eurjchem-2028	66	27	,	,	PUNCT
eurjchem-2028	66	28	2h	2h	NUM
eurjchem-2028	66	29	,	,	PUNCT
eurjchem-2028	66	30	ch2	ch2	PROPN
eurjchem-2028	66	31	)	)	PUNCT
eurjchem-2028	66	32	,	,	PUNCT
eurjchem-2028	66	33	4.6	4.6	NUM
eurjchem-2028	66	34	(	(	PUNCT
eurjchem-2028	66	35	t	t	PROPN
eurjchem-2028	66	36	,	,	PUNCT
eurjchem-2028	66	37	2h	2h	NUM
eurjchem-2028	66	38	,	,	PUNCT
eurjchem-2028	66	39	2×nh	2×nh	NUM
eurjchem-2028	66	40	of	of	ADP
eurjchem-2028	66	41	imidazole	imidazole	NOUN
eurjchem-2028	66	42	ring	ring	NOUN
eurjchem-2028	66	43	)	)	PUNCT
eurjchem-2028	66	44	,	,	PUNCT
eurjchem-2028	66	45	4.8	4.8	NUM
eurjchem-2028	66	46	(	(	PUNCT
eurjchem-2028	66	47	s	s	PROPN
eurjchem-2028	66	48	,	,	PUNCT
eurjchem-2028	66	49	1h	1h	NUM
eurjchem-2028	66	50	,	,	PUNCT
eurjchem-2028	66	51	nh	nh	PROPN
eurjchem-2028	66	52	of	of	ADP
eurjchem-2028	66	53	thiazole	thiazole	NOUN
eurjchem-2028	66	54	ring	ring	NOUN
eurjchem-2028	66	55	)	)	PUNCT
eurjchem-2028	66	56	,	,	PUNCT
eurjchem-2028	66	57	6.25	6.25	NUM
eurjchem-2028	66	58	(	(	PUNCT
eurjchem-2028	66	59	s	s	PROPN
eurjchem-2028	66	60	,	,	PUNCT
eurjchem-2028	66	61	1h	1h	NUM
eurjchem-2028	66	62	,	,	PUNCT
eurjchem-2028	66	63	ch	ch	NOUN
eurjchem-2028	66	64	benzylic	benzylic	PROPN
eurjchem-2028	66	65	proton	proton	PROPN
eurjchem-2028	66	66	)	)	PUNCT
eurjchem-2028	66	67	,	,	PUNCT
eurjchem-2028	66	68	6.8	6.8	NUM
eurjchem-2028	66	69	-	-	SYM
eurjchem-2028	66	70	8.1	8.1	NUM
eurjchem-2028	66	71	(	(	PUNCT
eurjchem-2028	66	72	m	m	PROPN
eurjchem-2028	66	73	,	,	PUNCT
eurjchem-2028	66	74	12h	12h	NUM
eurjchem-2028	66	75	,	,	PUNCT
eurjchem-2028	66	76	aromatic	aromatic	ADJ
eurjchem-2028	66	77	protons	proton	NOUN
eurjchem-2028	66	78	&	&	CCONJ
eurjchem-2028	66	79	proton	proton	NOUN
eurjchem-2028	66	80	of	of	ADP
eurjchem-2028	66	81	thiazole	thiazole	NOUN
eurjchem-2028	66	82	ring	ring	NOUN
eurjchem-2028	66	83	)	)	PUNCT
eurjchem-2028	66	84	,	,	PUNCT
eurjchem-2028	66	85	8.6	8.6	NUM
eurjchem-2028	66	86	(	(	PUNCT
eurjchem-2028	66	87	s	s	PROPN
eurjchem-2028	66	88	,	,	PUNCT
eurjchem-2028	66	89	1h	1h	NUM
eurjchem-2028	66	90	,	,	PUNCT
eurjchem-2028	66	91	c	c	PROPN
eurjchem-2028	66	92	=	=	PROPN
eurjchem-2028	66	93	nh	nh	PROPN
eurjchem-2028	66	94	)	)	PUNCT
eurjchem-2028	66	95	,	,	PUNCT
eurjchem-2028	66	96	14.5	14.5	NUM
eurjchem-2028	66	97	(	(	PUNCT
eurjchem-2028	66	98	s	s	NOUN
eurjchem-2028	66	99	br	br	NOUN
eurjchem-2028	66	100	,	,	PUNCT
eurjchem-2028	66	101	2h	2h	NUM
eurjchem-2028	66	102	,	,	PUNCT
eurjchem-2028	66	103	2×oh	2×oh	NUM
eurjchem-2028	66	104	enolic	enolic	ADJ
eurjchem-2028	66	105	)	)	PUNCT
eurjchem-2028	66	106	.	.	PUNCT
eurjchem-2028	67	1	2.3	2.3	NUM
eurjchem-2028	67	2	.	.	PUNCT
eurjchem-2028	68	1	crystal	crystal	NOUN
eurjchem-2028	68	2	structure	structure	NOUN
eurjchem-2028	68	3	determination	determination	NOUN
eurjchem-2028	68	4	and	and	CCONJ
eurjchem-2028	68	5	refinement	refinement	NOUN
eurjchem-2028	68	6	x	x	PROPN
eurjchem-2028	68	7	-	-	NOUN
eurjchem-2028	68	8	ray	ray	NOUN
eurjchem-2028	68	9	intensity	intensity	NOUN
eurjchem-2028	68	10	data	datum	NOUN
eurjchem-2028	68	11	of	of	ADP
eurjchem-2028	68	12	the	the	DET
eurjchem-2028	68	13	crystal	crystal	NOUN
eurjchem-2028	68	14	of	of	ADP
eurjchem-2028	68	15	dimensions	dimension	NOUN
eurjchem-2028	68	16	0.25×0.30×0.35	0.25×0.30×0.35	PRON
eurjchem-2028	68	17	mm3	mm3	PROPN
eurjchem-2028	68	18	were	be	AUX
eurjchem-2028	68	19	collected	collect	VERB
eurjchem-2028	68	20	on	on	ADP
eurjchem-2028	68	21	a	a	DET
eurjchem-2028	68	22	bruker	bruker	PROPN
eurjchem-2028	68	23	apex	apex	PROPN
eurjchem-2028	68	24	-	-	PUNCT
eurjchem-2028	68	25	ii	ii	PROPN
eurjchem-2028	68	26	ccd	ccd	PROPN
eurjchem-2028	68	27	area	area	NOUN
eurjchem-2028	68	28	detector	detector	NOUN
eurjchem-2028	68	29	diffractometer	diffractometer	NOUN
eurjchem-2028	69	1	[	[	X
eurjchem-2028	69	2	26	26	NUM
eurjchem-2028	69	3	]	]	X
eurjchem-2028	69	4	equipped	equip	VERB
eurjchem-2028	69	5	with	with	ADP
eurjchem-2028	69	6	graphite	graphite	NOUN
eurjchem-2028	69	7	monochromated	monochromate	VERB
eurjchem-2028	69	8	mokα	mokα	ADJ
eurjchem-2028	69	9	radiation	radiation	NOUN
eurjchem-2028	69	10	(	(	PUNCT
eurjchem-2028	69	11	λ	λ	X
eurjchem-2028	69	12	=	=	SYM
eurjchem-2028	69	13	0.71073	0.71073	NUM
eurjchem-2028	69	14	å	å	NOUN
eurjchem-2028	69	15	)	)	PUNCT
eurjchem-2028	69	16	.	.	PUNCT
eurjchem-2028	70	1	the	the	DET
eurjchem-2028	70	2	data	datum	NOUN
eurjchem-2028	70	3	were	be	AUX
eurjchem-2028	70	4	collected	collect	VERB
eurjchem-2028	70	5	at	at	ADP
eurjchem-2028	70	6	296(2	296(2	NUM
eurjchem-2028	70	7	)	)	PUNCT
eurjchem-2028	70	8	k	k	NOUN
eurjchem-2028	70	9	and	and	CCONJ
eurjchem-2028	70	10	6168	6168	NUM
eurjchem-2028	70	11	reflections	reflection	NOUN
eurjchem-2028	70	12	were	be	AUX
eurjchem-2028	70	13	found	find	VERB
eurjchem-2028	70	14	as	as	ADP
eurjchem-2028	70	15	unique	unique	ADJ
eurjchem-2028	70	16	.	.	PUNCT
eurjchem-2028	71	1	the	the	DET
eurjchem-2028	71	2	intensities	intensity	NOUN
eurjchem-2028	71	3	were	be	AUX
eurjchem-2028	71	4	measured	measure	VERB
eurjchem-2028	71	5	by	by	ADP
eurjchem-2028	71	6	ϕ/ω	ϕ/ω	PROPN
eurjchem-2028	71	7	scan	scan	PROPN
eurjchem-2028	71	8	mode	mode	PROPN
eurjchem-2028	71	9	for	for	ADP
eurjchem-2028	71	10	θ	θ	PROPN
eurjchem-2028	71	11	range	range	VERB
eurjchem-2028	71	12	2.67	2.67	NUM
eurjchem-2028	71	13	to	to	ADP
eurjchem-2028	71	14	27.46	27.46	NUM
eurjchem-2028	71	15	°	°	NOUN
eurjchem-2028	71	16	.	.	PUNCT
eurjchem-2028	72	1	a	a	DET
eurjchem-2028	72	2	total	total	NOUN
eurjchem-2028	72	3	of	of	ADP
eurjchem-2028	72	4	4717	4717	NUM
eurjchem-2028	72	5	reflections	reflection	NOUN
eurjchem-2028	72	6	with	with	ADP
eurjchem-2028	72	7	i	i	PRON
eurjchem-2028	72	8	>	>	X
eurjchem-2028	72	9	2σ(i	2σ(i	NUM
eurjchem-2028	72	10	)	)	PUNCT
eurjchem-2028	72	11	were	be	AUX
eurjchem-2028	72	12	treated	treat	VERB
eurjchem-2028	72	13	as	as	ADP
eurjchem-2028	72	14	observed	observe	VERB
eurjchem-2028	72	15	.	.	PUNCT
eurjchem-2028	73	1	data	datum	NOUN
eurjchem-2028	73	2	was	be	AUX
eurjchem-2028	73	3	corrected	correct	VERB
eurjchem-2028	73	4	for	for	ADP
eurjchem-2028	73	5	lorentzpolarization	lorentzpolarization	NOUN
eurjchem-2028	73	6	and	and	CCONJ
eurjchem-2028	73	7	absorption	absorption	NOUN
eurjchem-2028	73	8	factors	factor	NOUN
eurjchem-2028	73	9	.	.	PUNCT
eurjchem-2028	74	1	the	the	DET
eurjchem-2028	74	2	structure	structure	NOUN
eurjchem-2028	74	3	was	be	AUX
eurjchem-2028	74	4	solved	solve	VERB
eurjchem-2028	74	5	by	by	ADP
eurjchem-2028	74	6	direct	direct	ADJ
eurjchem-2028	74	7	methods	method	NOUN
eurjchem-2028	74	8	using	use	VERB
eurjchem-2028	74	9	shelxs	shelxs	ADJ
eurjchem-2028	74	10	[	[	X
eurjchem-2028	74	11	27	27	NUM
eurjchem-2028	74	12	]	]	PUNCT
eurjchem-2028	74	13	and	and	CCONJ
eurjchem-2028	74	14	was	be	AUX
eurjchem-2028	74	15	refined	refine	VERB
eurjchem-2028	74	16	using	use	VERB
eurjchem-2028	74	17	shelxl	shelxl	NOUN
eurjchem-2028	75	1	[	[	X
eurjchem-2028	75	2	28	28	NUM
eurjchem-2028	75	3	]	]	PUNCT
eurjchem-2028	75	4	.	.	PUNCT
eurjchem-2028	76	1	all	all	DET
eurjchem-2028	76	2	non	non	ADJ
eurjchem-2028	76	3	-	-	ADJ
eurjchem-2028	76	4	hydrogen	hydrogen	ADJ
eurjchem-2028	76	5	atoms	atom	NOUN
eurjchem-2028	76	6	of	of	ADP
eurjchem-2028	76	7	the	the	DET
eurjchem-2028	76	8	binary	binary	ADJ
eurjchem-2028	76	9	complex	complex	NOUN
eurjchem-2028	76	10	were	be	AUX
eurjchem-2028	76	11	located	locate	VERB
eurjchem-2028	76	12	from	from	ADP
eurjchem-2028	76	13	the	the	DET
eurjchem-2028	76	14	best	good	ADJ
eurjchem-2028	76	15	e	e	NOUN
eurjchem-2028	76	16	-	-	NOUN
eurjchem-2028	76	17	map	map	NOUN
eurjchem-2028	76	18	.	.	PUNCT
eurjchem-2028	77	1	all	all	DET
eurjchem-2028	77	2	hydrogen	hydrogen	NOUN
eurjchem-2028	77	3	atoms	atom	NOUN
eurjchem-2028	77	4	were	be	AUX
eurjchem-2028	77	5	geometrically	geometrically	ADV
eurjchem-2028	77	6	fixed	fix	VERB
eurjchem-2028	77	7	(	(	PUNCT
eurjchem-2028	77	8	except	except	SCONJ
eurjchem-2028	77	9	n4	n4	PROPN
eurjchem-2028	77	10	hydrogen	hydrogen	PROPN
eurjchem-2028	77	11	atom	atom	NOUN
eurjchem-2028	77	12	)	)	PUNCT
eurjchem-2028	77	13	and	and	CCONJ
eurjchem-2028	77	14	allowed	allow	VERB
eurjchem-2028	77	15	to	to	PART
eurjchem-2028	77	16	ride	ride	VERB
eurjchem-2028	77	17	on	on	ADP
eurjchem-2028	77	18	their	their	PRON
eurjchem-2028	77	19	parent	parent	NOUN
eurjchem-2028	77	20	carbon	carbon	NOUN
eurjchem-2028	77	21	atoms	atom	NOUN
eurjchem-2028	77	22	with	with	ADP
eurjchem-2028	77	23	c	c	NOUN
eurjchem-2028	77	24	-	-	NOUN
eurjchem-2028	77	25	h	h	NOUN
eurjchem-2028	77	26	=	=	NOUN
eurjchem-2028	77	27	0.93	0.93	NUM
eurjchem-2028	77	28	-	-	PUNCT
eurjchem-2028	77	29	0.97	0.97	NUM
eurjchem-2028	77	30	å	å	PROPN
eurjchem-2028	77	31	,	,	PUNCT
eurjchem-2028	77	32	n	n	CCONJ
eurjchem-2028	77	33	-	-	PUNCT
eurjchem-2028	77	34	h	h	NOUN
eurjchem-2028	77	35	=	=	NOUN
eurjchem-2028	77	36	0.86	0.86	NUM
eurjchem-2028	77	37	å	å	NOUN
eurjchem-2028	77	38	.	.	PUNCT
eurjchem-2028	78	1	the	the	DET
eurjchem-2028	78	2	final	final	ADJ
eurjchem-2028	78	3	refinement	refinement	NOUN
eurjchem-2028	78	4	cycles	cycle	NOUN
eurjchem-2028	78	5	converged	converge	VERB
eurjchem-2028	78	6	to	to	ADP
eurjchem-2028	78	7	an	an	DET
eurjchem-2028	78	8	r	r	NOUN
eurjchem-2028	78	9	-	-	PUNCT
eurjchem-2028	78	10	factor	factor	NOUN
eurjchem-2028	78	11	of	of	ADP
eurjchem-2028	78	12	0.044	0.044	NUM
eurjchem-2028	78	13	and	and	CCONJ
eurjchem-2028	78	14	wr(f2	wr(f2	NOUN
eurjchem-2028	78	15	)	)	PUNCT
eurjchem-2028	78	16	=	=	PUNCT
eurjchem-2028	79	1	0.107	0.107	NUM
eurjchem-2028	79	2	for	for	ADP
eurjchem-2028	79	3	4717	4717	NUM
eurjchem-2028	79	4	observed	observed	ADJ
eurjchem-2028	79	5	reflections	reflection	NOUN
eurjchem-2028	79	6	.	.	PUNCT
eurjchem-2028	80	1	the	the	DET
eurjchem-2028	80	2	residual	residual	ADJ
eurjchem-2028	80	3	electron	electron	NOUN
eurjchem-2028	80	4	density	density	NOUN
eurjchem-2028	80	5	ranges	range	VERB
eurjchem-2028	80	6	from	from	ADP
eurjchem-2028	80	7	-0.32	-0.32	NUM
eurjchem-2028	80	8	to	to	ADP
eurjchem-2028	80	9	0.28	0.28	NUM
eurjchem-2028	80	10	e.å-3	e.å-3	NOUN
eurjchem-2028	80	11	.	.	PUNCT
eurjchem-2028	81	1	the	the	DET
eurjchem-2028	81	2	geometry	geometry	NOUN
eurjchem-2028	81	3	of	of	ADP
eurjchem-2028	81	4	the	the	DET
eurjchem-2028	81	5	binary	binary	ADJ
eurjchem-2028	81	6	complex	complex	NOUN
eurjchem-2028	81	7	was	be	AUX
eurjchem-2028	81	8	calculated	calculate	VERB
eurjchem-2028	81	9	using	use	VERB
eurjchem-2028	81	10	the	the	DET
eurjchem-2028	81	11	wingx	wingx	NOUN
eurjchem-2028	81	12	[	[	X
eurjchem-2028	81	13	29	29	NUM
eurjchem-2028	81	14	]	]	PUNCT
eurjchem-2028	81	15	,	,	PUNCT
eurjchem-2028	81	16	parst	parst	NOUN
eurjchem-2028	81	17	[	[	X
eurjchem-2028	81	18	30	30	NUM
eurjchem-2028	81	19	]	]	PUNCT
eurjchem-2028	81	20	,	,	PUNCT
eurjchem-2028	81	21	and	and	CCONJ
eurjchem-2028	81	22	platon	platon	PROPN
eurjchem-2028	81	23	[	[	X
eurjchem-2028	81	24	31	31	NUM
eurjchem-2028	81	25	]	]	PUNCT
eurjchem-2028	81	26	software	software	NOUN
eurjchem-2028	81	27	.	.	PUNCT
eurjchem-2028	82	1	crystallographic	crystallographic	ADJ
eurjchem-2028	82	2	information	information	NOUN
eurjchem-2028	82	3	file	file	NOUN
eurjchem-2028	82	4	(	(	PUNCT
eurjchem-2028	82	5	cif	cif	PROPN
eurjchem-2028	82	6	)	)	PUNCT
eurjchem-2028	82	7	has	have	AUX
eurjchem-2028	82	8	been	be	AUX
eurjchem-2028	82	9	deposited	deposit	VERB
eurjchem-2028	82	10	at	at	ADP
eurjchem-2028	82	11	the	the	DET
eurjchem-2028	82	12	cambridge	cambridge	PROPN
eurjchem-2028	82	13	crystallographic	crystallographic	PROPN
eurjchem-2028	82	14	data	data	PROPN
eurjchem-2028	82	15	centre	centre	NOUN
eurjchem-2028	82	16	with	with	ADP
eurjchem-2028	82	17	ccdc-1948179	ccdc-1948179	NOUN
eurjchem-2028	82	18	.	.	PUNCT
eurjchem-2028	83	1	a	a	DET
eurjchem-2028	83	2	precise	precise	ADJ
eurjchem-2028	83	3	description	description	NOUN
eurjchem-2028	83	4	of	of	ADP
eurjchem-2028	83	5	the	the	DET
eurjchem-2028	83	6	crystallographic	crystallographic	ADJ
eurjchem-2028	83	7	data	datum	NOUN
eurjchem-2028	83	8	of	of	ADP
eurjchem-2028	83	9	the	the	DET
eurjchem-2028	83	10	x	x	ADJ
eurjchem-2028	83	11	-	-	NOUN
eurjchem-2028	83	12	ray	ray	NOUN
eurjchem-2028	83	13	structure	structure	NOUN
eurjchem-2028	83	14	is	be	AUX
eurjchem-2028	83	15	given	give	VERB
eurjchem-2028	83	16	in	in	ADP
eurjchem-2028	83	17	table	table	NOUN
eurjchem-2028	83	18	1	1	NUM
eurjchem-2028	83	19	.	.	X
eurjchem-2028	83	20	2.4	2.4	NUM
eurjchem-2028	83	21	.	.	PUNCT
eurjchem-2028	84	1	theoretical	theoretical	ADJ
eurjchem-2028	84	2	calculation	calculation	NOUN
eurjchem-2028	84	3	the	the	DET
eurjchem-2028	84	4	optimized	optimize	VERB
eurjchem-2028	84	5	structure	structure	NOUN
eurjchem-2028	84	6	of	of	ADP
eurjchem-2028	84	7	the	the	DET
eurjchem-2028	84	8	compound	compound	NOUN
eurjchem-2028	84	9	3,3'-[(3benzimidazolyl)methylene]bis(4	3,3'-[(3benzimidazolyl)methylene]bis(4	NUM
eurjchem-2028	84	10	-	-	PUNCT
eurjchem-2028	84	11	hydroxy-2h-1	hydroxy-2h-1	NOUN
eurjchem-2028	84	12	-	-	PUNCT
eurjchem-2028	84	13	benzopyran-2one):5	benzopyran-2one):5	ADJ
eurjchem-2028	84	14	-	-	PUNCT
eurjchem-2028	84	15	methyl-1,3	methyl-1,3	NOUN
eurjchem-2028	84	16	-	-	PUNCT
eurjchem-2028	84	17	thiazol-2(3h)-imine	thiazol-2(3h)-imine	NOUN
eurjchem-2028	84	18	has	have	AUX
eurjchem-2028	84	19	been	be	AUX
eurjchem-2028	84	20	obtained	obtain	VERB
eurjchem-2028	84	21	by	by	ADP
eurjchem-2028	84	22	using	use	VERB
eurjchem-2028	84	23	hartree	hartree	ADJ
eurjchem-2028	84	24	-	-	PUNCT
eurjchem-2028	84	25	fock	fock	ADJ
eurjchem-2028	84	26	(	(	PUNCT
eurjchem-2028	84	27	hf	hf	NOUN
eurjchem-2028	84	28	)	)	PUNCT
eurjchem-2028	84	29	method	method	NOUN
eurjchem-2028	84	30	and	and	CCONJ
eurjchem-2028	84	31	is	be	AUX
eurjchem-2028	84	32	the	the	DET
eurjchem-2028	84	33	same	same	ADJ
eurjchem-2028	84	34	got	get	AUX
eurjchem-2028	84	35	reoptimized	reoptimize	VERB
eurjchem-2028	84	36	by	by	ADP
eurjchem-2028	84	37	using	use	VERB
eurjchem-2028	84	38	becke	becke	NOUN
eurjchem-2028	84	39	’s	’s	PART
eurjchem-2028	84	40	three	three	NUM
eurjchem-2028	84	41	-	-	PUNCT
eurjchem-2028	84	42	parameter	parameter	NOUN
eurjchem-2028	84	43	hybrid	hybrid	ADJ
eurjchem-2028	84	44	function	function	NOUN
eurjchem-2028	84	45	(	(	PUNCT
eurjchem-2028	84	46	b3	b3	PROPN
eurjchem-2028	84	47	)	)	PUNCT
eurjchem-2028	85	1	[	[	X
eurjchem-2028	85	2	32,33	32,33	NUM
eurjchem-2028	85	3	]	]	X
eurjchem-2028	85	4	for	for	ADP
eurjchem-2028	85	5	the	the	DET
eurjchem-2028	85	6	exchange	exchange	NOUN
eurjchem-2028	85	7	part	part	NOUN
eurjchem-2028	85	8	and	and	CCONJ
eurjchem-2028	85	9	the	the	DET
eurjchem-2028	85	10	lee	lee	PROPN
eurjchem-2028	85	11	-	-	PUNCT
eurjchem-2028	85	12	yang	yang	PROPN
eurjchem-2028	85	13	-	-	PUNCT
eurjchem-2028	85	14	parr	parr	PROPN
eurjchem-2028	85	15	(	(	PUNCT
eurjchem-2028	85	16	lyp	lyp	PROPN
eurjchem-2028	85	17	)	)	PUNCT
eurjchem-2028	85	18	correlation	correlation	NOUN
eurjchem-2028	85	19	function	function	NOUN
eurjchem-2028	86	1	[	[	X
eurjchem-2028	86	2	34	34	NUM
eurjchem-2028	86	3	]	]	PUNCT
eurjchem-2028	86	4	using	use	VERB
eurjchem-2028	86	5	6	6	NUM
eurjchem-2028	86	6	-	-	SYM
eurjchem-2028	86	7	311	311	NUM
eurjchem-2028	86	8	g	g	NOUN
eurjchem-2028	86	9	basis	basis	NOUN
eurjchem-2028	86	10	set	set	NOUN
eurjchem-2028	86	11	.	.	PUNCT
eurjchem-2028	87	1	the	the	DET
eurjchem-2028	87	2	natural	natural	ADJ
eurjchem-2028	87	3	bond	bond	NOUN
eurjchem-2028	87	4	orbital	orbital	NOUN
eurjchem-2028	87	5	(	(	PUNCT
eurjchem-2028	87	6	nbo	nbo	NOUN
eurjchem-2028	87	7	)	)	PUNCT
eurjchem-2028	87	8	analyses	analysis	NOUN
eurjchem-2028	87	9	,	,	PUNCT
eurjchem-2028	87	10	frontier	frontier	NOUN
eurjchem-2028	87	11	molecular	molecular	ADJ
eurjchem-2028	87	12	orbitals	orbital	NOUN
eurjchem-2028	87	13	,	,	PUNCT
eurjchem-2028	87	14	atomic	atomic	ADJ
eurjchem-2028	87	15	charges	charge	NOUN
eurjchem-2028	87	16	,	,	PUNCT
eurjchem-2028	87	17	and	and	CCONJ
eurjchem-2028	87	18	molecular	molecular	ADJ
eurjchem-2028	87	19	electrostatic	electrostatic	ADJ
eurjchem-2028	87	20	potential	potential	ADJ
eurjchem-2028	87	21	surface	surface	NOUN
eurjchem-2028	87	22	calculations	calculation	NOUN
eurjchem-2028	87	23	were	be	AUX
eurjchem-2028	87	24	carried	carry	VERB
eurjchem-2028	87	25	out	out	ADP
eurjchem-2028	87	26	by	by	ADP
eurjchem-2028	87	27	using	use	VERB
eurjchem-2028	87	28	gaussian	gaussian	NOUN
eurjchem-2028	87	29	09w	09w	NOUN
eurjchem-2028	88	1	[	[	X
eurjchem-2028	88	2	35	35	NUM
eurjchem-2028	88	3	]	]	X
eurjchem-2028	88	4	program	program	NOUN
eurjchem-2028	88	5	.	.	PUNCT
eurjchem-2028	89	1	326	326	NUM
eurjchem-2028	89	2	sharm	sharm	PROPN
eurjchem-2028	89	3	et	et	PROPN
eurjchem-2028	89	4	al	al	PROPN
eurjchem-2028	89	5	.	.	PUNCT
eurjchem-2028	89	6	/	/	SYM
eurjchem-2028	89	7	european	european	PROPN
eurjchem-2028	89	8	journal	journal	PROPN
eurjchem-2028	89	9	of	of	ADP
eurjchem-2028	89	10	chemistry	chemistry	NOUN
eurjchem-2028	89	11	11	11	NUM
eurjchem-2028	89	12	(	(	PUNCT
eurjchem-2028	89	13	4	4	NUM
eurjchem-2028	89	14	)	)	PUNCT
eurjchem-2028	89	15	(	(	PUNCT
eurjchem-2028	89	16	2020	2020	NUM
eurjchem-2028	89	17	)	)	PUNCT
eurjchem-2028	89	18	324	324	NUM
eurjchem-2028	89	19	-	-	SYM
eurjchem-2028	89	20	333	333	NUM
eurjchem-2028	89	21	2020	2020	NUM
eurjchem-2028	89	22	–	–	PUNCT
eurjchem-2028	89	23	european	european	ADJ
eurjchem-2028	89	24	journal	journal	NOUN
eurjchem-2028	89	25	of	of	ADP
eurjchem-2028	89	26	chemistry	chemistry	NOUN
eurjchem-2028	89	27	–	–	PUNCT
eurjchem-2028	89	28	cc	cc	NOUN
eurjchem-2028	89	29	by	by	ADP
eurjchem-2028	89	30	nc	nc	PROPN
eurjchem-2028	89	31	–	–	PUNCT
eurjchem-2028	89	32	doi	doi	NOUN
eurjchem-2028	89	33	:	:	PUNCT
eurjchem-2028	89	34	10.5155	10.5155	NUM
eurjchem-2028	89	35	/	/	SYM
eurjchem-2028	89	36	eurjchem.11.4.324	eurjchem.11.4.324	NUM
eurjchem-2028	89	37	-	-	PUNCT
eurjchem-2028	89	38	333.2028	333.2028	NUM
eurjchem-2028	89	39	table	table	NOUN
eurjchem-2028	89	40	1	1	NUM
eurjchem-2028	89	41	.	.	PUNCT
eurjchem-2028	89	42	crystal	crystal	NOUN
eurjchem-2028	89	43	data	datum	NOUN
eurjchem-2028	89	44	and	and	CCONJ
eurjchem-2028	89	45	experimental	experimental	ADJ
eurjchem-2028	89	46	details	detail	NOUN
eurjchem-2028	89	47	.	.	PUNCT
eurjchem-2028	90	1	empirical	empirical	ADJ
eurjchem-2028	90	2	formula	formula	NOUN
eurjchem-2028	90	3	c26h18n2o6·c4h6n2s	c26h18n2o6·c4h6n2s	PUNCT
eurjchem-2028	90	4	formula	formula	NOUN
eurjchem-2028	90	5	weight	weight	NOUN
eurjchem-2028	90	6	568.59	568.59	NUM
eurjchem-2028	90	7	temperature	temperature	NOUN
eurjchem-2028	90	8	(	(	PUNCT
eurjchem-2028	90	9	k	k	NOUN
eurjchem-2028	90	10	)	)	PUNCT
eurjchem-2028	90	11	296(2	296(2	NUM
eurjchem-2028	90	12	)	)	PUNCT
eurjchem-2028	90	13	crystal	crystal	NOUN
eurjchem-2028	90	14	system	system	NOUN
eurjchem-2028	90	15	monoclinic	monoclinic	ADJ
eurjchem-2028	90	16	space	space	NOUN
eurjchem-2028	90	17	group	group	NOUN
eurjchem-2028	90	18	cc	cc	PROPN
eurjchem-2028	90	19	a	a	PRON
eurjchem-2028	90	20	(	(	PUNCT
eurjchem-2028	90	21	å	å	NOUN
eurjchem-2028	90	22	)	)	PUNCT
eurjchem-2028	90	23	19.8151(8	19.8151(8	NUM
eurjchem-2028	90	24	)	)	PUNCT
eurjchem-2028	90	25	b	b	NOUN
eurjchem-2028	90	26	(	(	PUNCT
eurjchem-2028	90	27	å	å	NOUN
eurjchem-2028	90	28	)	)	PUNCT
eurjchem-2028	90	29	15.2804(6	15.2804(6	NUM
eurjchem-2028	90	30	)	)	PUNCT
eurjchem-2028	90	31	c	c	NOUN
eurjchem-2028	90	32	(	(	PUNCT
eurjchem-2028	90	33	å	å	NOUN
eurjchem-2028	90	34	)	)	PUNCT
eurjchem-2028	90	35	8.3950(4	8.3950(4	NUM
eurjchem-2028	90	36	)	)	PUNCT
eurjchem-2028	90	37	β	β	X
eurjchem-2028	90	38	(	(	PUNCT
eurjchem-2028	90	39	°	°	PROPN
eurjchem-2028	90	40	)	)	PUNCT
eurjchem-2028	90	41	94.0990(10	94.0990(10	NUM
eurjchem-2028	90	42	)	)	PUNCT
eurjchem-2028	90	43	volume	volume	NOUN
eurjchem-2028	90	44	(	(	PUNCT
eurjchem-2028	90	45	å3	å3	PROPN
eurjchem-2028	90	46	)	)	PUNCT
eurjchem-2028	90	47	2535.36(19	2535.36(19	NUM
eurjchem-2028	90	48	)	)	PUNCT
eurjchem-2028	90	49	z	z	NOUN
eurjchem-2028	90	50	4	4	NUM
eurjchem-2028	90	51	ρcalc	ρcalc	NOUN
eurjchem-2028	90	52	(	(	PUNCT
eurjchem-2028	90	53	g	g	NOUN
eurjchem-2028	90	54	/	/	SYM
eurjchem-2028	90	55	cm3	cm3	NOUN
eurjchem-2028	90	56	)	)	PUNCT
eurjchem-2028	90	57	1.490	1.490	NUM
eurjchem-2028	90	58	μ	μ	NOUN
eurjchem-2028	90	59	(	(	PUNCT
eurjchem-2028	90	60	mm-1	mm-1	NOUN
eurjchem-2028	90	61	)	)	PUNCT
eurjchem-2028	90	62	0.184	0.184	NUM
eurjchem-2028	90	63	f(000	f(000	PROPN
eurjchem-2028	90	64	)	)	PUNCT
eurjchem-2028	90	65	1184.0	1184.0	NUM
eurjchem-2028	90	66	crystal	crystal	NOUN
eurjchem-2028	90	67	size	size	NOUN
eurjchem-2028	90	68	(	(	PUNCT
eurjchem-2028	90	69	mm3	mm3	PROPN
eurjchem-2028	90	70	)	)	PUNCT
eurjchem-2028	90	71	0.350	0.350	NUM
eurjchem-2028	90	72	×	×	NOUN
eurjchem-2028	90	73	0.300	0.300	NUM
eurjchem-2028	90	74	×	×	NOUN
eurjchem-2028	90	75	0.250	0.250	NUM
eurjchem-2028	90	76	radiation	radiation	NOUN
eurjchem-2028	90	77	mokα	mokα	NOUN
eurjchem-2028	90	78	(	(	PUNCT
eurjchem-2028	90	79	λ	λ	X
eurjchem-2028	90	80	=	=	SYM
eurjchem-2028	90	81	0.71073	0.71073	NUM
eurjchem-2028	90	82	)	)	PUNCT
eurjchem-2028	90	83	2θ	2θ	NUM
eurjchem-2028	90	84	range	range	VERB
eurjchem-2028	90	85	for	for	ADP
eurjchem-2028	90	86	data	data	NOUN
eurjchem-2028	90	87	collection	collection	NOUN
eurjchem-2028	90	88	(	(	PUNCT
eurjchem-2028	90	89	°	°	ADP
eurjchem-2028	90	90	)	)	PUNCT
eurjchem-2028	90	91	5.332	5.332	NUM
eurjchem-2028	90	92	to	to	ADP
eurjchem-2028	90	93	56.678	56.678	NUM
eurjchem-2028	90	94	tmin	tmin	NOUN
eurjchem-2028	90	95	,	,	PUNCT
eurjchem-2028	90	96	tmax	tmax	ADP
eurjchem-2028	90	97	0.938	0.938	NUM
eurjchem-2028	90	98	,	,	PUNCT
eurjchem-2028	90	99	0.955	0.955	NUM
eurjchem-2028	90	100	index	index	NOUN
eurjchem-2028	90	101	ranges	range	VERB
eurjchem-2028	90	102	-25	-25	PUNCT
eurjchem-2028	90	103	≤	≤	NUM
eurjchem-2028	90	104	h	h	NOUN
eurjchem-2028	90	105	≤	≤	NOUN
eurjchem-2028	90	106	26	26	NUM
eurjchem-2028	90	107	,	,	PUNCT
eurjchem-2028	90	108	-20	-20	PUNCT
eurjchem-2028	90	109	≤	≤	NUM
eurjchem-2028	90	110	k	k	X
eurjchem-2028	90	111	≤	≤	NUM
eurjchem-2028	90	112	20	20	NUM
eurjchem-2028	90	113	,	,	PUNCT
eurjchem-2028	90	114	-11	-11	PUNCT
eurjchem-2028	90	115	≤	≤	NUM
eurjchem-2028	90	116	l	l	NOUN
eurjchem-2028	90	117	≤	≤	NUM
eurjchem-2028	90	118	10	10	NUM
eurjchem-2028	90	119	reflections	reflection	NOUN
eurjchem-2028	90	120	collected	collect	VERB
eurjchem-2028	90	121	35833	35833	NUM
eurjchem-2028	90	122	independent	independent	ADJ
eurjchem-2028	90	123	reflections	reflection	NOUN
eurjchem-2028	90	124	6168	6168	NUM
eurjchem-2028	91	1	[	[	X
eurjchem-2028	91	2	rint	rint	X
eurjchem-2028	91	3	=	=	SYM
eurjchem-2028	91	4	0.0467	0.0467	NUM
eurjchem-2028	91	5	,	,	PUNCT
eurjchem-2028	91	6	rsigma	rsigma	ADJ
eurjchem-2028	91	7	=	=	SYM
eurjchem-2028	91	8	0.0388	0.0388	NUM
eurjchem-2028	91	9	]	]	PUNCT
eurjchem-2028	91	10	data	data	NOUN
eurjchem-2028	91	11	/	/	SYM
eurjchem-2028	91	12	restraints	restraint	NOUN
eurjchem-2028	91	13	/	/	SYM
eurjchem-2028	91	14	parameters	parameter	NOUN
eurjchem-2028	91	15	6168/2/379	6168/2/379	NUM
eurjchem-2028	91	16	goodness	goodness	NOUN
eurjchem-2028	91	17	-	-	PUNCT
eurjchem-2028	91	18	of	of	ADP
eurjchem-2028	91	19	-	-	PUNCT
eurjchem-2028	91	20	fit	fit	NOUN
eurjchem-2028	91	21	on	on	ADP
eurjchem-2028	91	22	f2	f2	PROPN
eurjchem-2028	91	23	1.021	1.021	NUM
eurjchem-2028	91	24	final	final	ADJ
eurjchem-2028	91	25	r	r	NOUN
eurjchem-2028	91	26	indexes	index	NOUN
eurjchem-2028	91	27	[	[	X
eurjchem-2028	91	28	i≥2σ	i≥2σ	X
eurjchem-2028	91	29	(	(	PUNCT
eurjchem-2028	91	30	i	i	NOUN
eurjchem-2028	91	31	)	)	PUNCT
eurjchem-2028	91	32	]	]	PUNCT
eurjchem-2028	92	1	r1	r1	PROPN
eurjchem-2028	92	2	=	=	SYM
eurjchem-2028	92	3	0.0435	0.0435	NUM
eurjchem-2028	92	4	,	,	PUNCT
eurjchem-2028	92	5	wr2	wr2	PROPN
eurjchem-2028	92	6	=	=	NOUN
eurjchem-2028	92	7	0.0967	0.0967	NUM
eurjchem-2028	92	8	final	final	ADJ
eurjchem-2028	92	9	r	r	NOUN
eurjchem-2028	92	10	indexes	index	NOUN
eurjchem-2028	92	11	[	[	X
eurjchem-2028	92	12	all	all	DET
eurjchem-2028	92	13	data	datum	NOUN
eurjchem-2028	92	14	]	]	PUNCT
eurjchem-2028	92	15	r1	r1	NOUN
eurjchem-2028	92	16	=	=	PUNCT
eurjchem-2028	92	17	0.0700	0.0700	NUM
eurjchem-2028	92	18	,	,	PUNCT
eurjchem-2028	92	19	wr2	wr2	PROPN
eurjchem-2028	92	20	=	=	PROPN
eurjchem-2028	92	21	0.1073	0.1073	NUM
eurjchem-2028	92	22	largest	large	ADJ
eurjchem-2028	92	23	diff	diff	NOUN
eurjchem-2028	92	24	.	.	PUNCT
eurjchem-2028	92	25	peak	peak	PROPN
eurjchem-2028	92	26	/	/	SYM
eurjchem-2028	92	27	hole	hole	NOUN
eurjchem-2028	92	28	(	(	PUNCT
eurjchem-2028	92	29	e	e	NOUN
eurjchem-2028	92	30	å-3	å-3	NUM
eurjchem-2028	92	31	)	)	PUNCT
eurjchem-2028	92	32	0.28/-0.32	0.28/-0.32	NOUN
eurjchem-2028	92	33	flack	flack	ADJ
eurjchem-2028	92	34	parameter	parameter	NOUN
eurjchem-2028	92	35	0.03(10	0.03(10	NUM
eurjchem-2028	92	36	)	)	PUNCT
eurjchem-2028	92	37	ccdc	ccdc	PROPN
eurjchem-2028	92	38	number	number	NOUN
eurjchem-2028	92	39	1948179	1948179	NUM
eurjchem-2028	92	40	figure	figure	NOUN
eurjchem-2028	92	41	1	1	NUM
eurjchem-2028	92	42	.	.	PUNCT
eurjchem-2028	93	1	ortep	ortep	ADJ
eurjchem-2028	93	2	view	view	NOUN
eurjchem-2028	93	3	of	of	ADP
eurjchem-2028	93	4	the	the	DET
eurjchem-2028	93	5	binary	binary	ADJ
eurjchem-2028	93	6	complex	complex	NOUN
eurjchem-2028	93	7	with	with	ADP
eurjchem-2028	93	8	displacement	displacement	ADJ
eurjchem-2028	93	9	ellipsoids	ellipsoid	NOUN
eurjchem-2028	93	10	drawn	draw	VERB
eurjchem-2028	93	11	at	at	ADP
eurjchem-2028	93	12	40	40	NUM
eurjchem-2028	93	13	%	%	NOUN
eurjchem-2028	93	14	probability	probability	NOUN
eurjchem-2028	93	15	level	level	NOUN
eurjchem-2028	93	16	.	.	PUNCT
eurjchem-2028	94	1	3	3	X
eurjchem-2028	94	2	.	.	NOUN
eurjchem-2028	94	3	results	result	NOUN
eurjchem-2028	94	4	and	and	CCONJ
eurjchem-2028	94	5	discussion	discussion	NOUN
eurjchem-2028	94	6	3.1	3.1	NUM
eurjchem-2028	94	7	.	.	PUNCT
eurjchem-2028	95	1	single	single	ADJ
eurjchem-2028	95	2	crystal	crystal	NOUN
eurjchem-2028	95	3	structure	structure	NOUN
eurjchem-2028	95	4	analysis	analysis	NOUN
eurjchem-2028	95	5	the	the	DET
eurjchem-2028	95	6	structure	structure	NOUN
eurjchem-2028	95	7	containing	contain	VERB
eurjchem-2028	95	8	atom	atom	NOUN
eurjchem-2028	95	9	numbering	numbering	NOUN
eurjchem-2028	95	10	scheme	scheme	NOUN
eurjchem-2028	95	11	is	be	AUX
eurjchem-2028	95	12	shown	show	VERB
eurjchem-2028	95	13	in	in	ADP
eurjchem-2028	95	14	figure	figure	NOUN
eurjchem-2028	95	15	1	1	NUM
eurjchem-2028	96	1	[	[	X
eurjchem-2028	96	2	36	36	NUM
eurjchem-2028	96	3	]	]	PUNCT
eurjchem-2028	96	4	.	.	PUNCT
eurjchem-2028	97	1	the	the	DET
eurjchem-2028	97	2	bond	bond	NOUN
eurjchem-2028	97	3	distances	distance	NOUN
eurjchem-2028	97	4	,	,	PUNCT
eurjchem-2028	97	5	bond	bond	NOUN
eurjchem-2028	97	6	angles	angle	NOUN
eurjchem-2028	97	7	which	which	PRON
eurjchem-2028	97	8	play	play	VERB
eurjchem-2028	97	9	an	an	DET
eurjchem-2028	97	10	important	important	ADJ
eurjchem-2028	97	11	role	role	NOUN
eurjchem-2028	97	12	in	in	ADP
eurjchem-2028	97	13	collating	collate	VERB
eurjchem-2028	97	14	the	the	DET
eurjchem-2028	97	15	structural	structural	ADJ
eurjchem-2028	97	16	properties	property	NOUN
eurjchem-2028	97	17	of	of	ADP
eurjchem-2028	97	18	the	the	DET
eurjchem-2028	97	19	binary	binary	ADJ
eurjchem-2028	97	20	complex	complex	NOUN
eurjchem-2028	97	21	with	with	ADP
eurjchem-2028	97	22	the	the	DET
eurjchem-2028	97	23	related	related	ADJ
eurjchem-2028	97	24	structures	structure	NOUN
eurjchem-2028	97	25	are	be	AUX
eurjchem-2028	97	26	presented	present	VERB
eurjchem-2028	97	27	in	in	ADP
eurjchem-2028	97	28	table	table	NOUN
eurjchem-2028	97	29	2	2	NUM
eurjchem-2028	97	30	.	.	PUNCT
eurjchem-2028	98	1	the	the	DET
eurjchem-2028	98	2	values	value	NOUN
eurjchem-2028	98	3	of	of	ADP
eurjchem-2028	98	4	bond	bond	NOUN
eurjchem-2028	98	5	distance	distance	NOUN
eurjchem-2028	98	6	[	[	X
eurjchem-2028	98	7	37	37	NUM
eurjchem-2028	98	8	]	]	PUNCT
eurjchem-2028	98	9	and	and	CCONJ
eurjchem-2028	98	10	angles	angle	NOUN
eurjchem-2028	98	11	of	of	ADP
eurjchem-2028	98	12	all	all	DET
eurjchem-2028	98	13	the	the	DET
eurjchem-2028	98	14	rings	ring	NOUN
eurjchem-2028	98	15	are	be	AUX
eurjchem-2028	98	16	within	within	ADP
eurjchem-2028	98	17	the	the	DET
eurjchem-2028	98	18	normal	normal	ADJ
eurjchem-2028	98	19	range	range	NOUN
eurjchem-2028	98	20	.	.	PUNCT
eurjchem-2028	99	1	the	the	DET
eurjchem-2028	99	2	c2	c2	PROPN
eurjchem-2028	99	3	-	-	PUNCT
eurjchem-2028	99	4	o1	o1	NOUN
eurjchem-2028	99	5	=	=	NUM
eurjchem-2028	99	6	1.213	1.213	NUM
eurjchem-2028	99	7	å	å	PROPN
eurjchem-2028	99	8	and	and	CCONJ
eurjchem-2028	99	9	c26	c26	NOUN
eurjchem-2028	99	10	-	-	PUNCT
eurjchem-2028	99	11	o5	o5	PROPN
eurjchem-2028	99	12	=	=	PUNCT
eurjchem-2028	99	13	1.211	1.211	NUM
eurjchem-2028	99	14	å	å	PROPN
eurjchem-2028	99	15	bond	bond	NOUN
eurjchem-2028	99	16	distances	distance	NOUN
eurjchem-2028	99	17	of	of	ADP
eurjchem-2028	99	18	the	the	DET
eurjchem-2028	99	19	title	title	NOUN
eurjchem-2028	99	20	compound	compound	NOUN
eurjchem-2028	99	21	are	be	AUX
eurjchem-2028	99	22	comparable	comparable	ADJ
eurjchem-2028	99	23	with	with	ADP
eurjchem-2028	99	24	the	the	DET
eurjchem-2028	99	25	values	value	NOUN
eurjchem-2028	99	26	observed	observe	VERB
eurjchem-2028	99	27	for	for	ADP
eurjchem-2028	99	28	some	some	DET
eurjchem-2028	99	29	analogous	analogous	ADJ
eurjchem-2028	99	30	structure	structure	NOUN
eurjchem-2028	99	31	[	[	X
eurjchem-2028	99	32	38,39	38,39	NOUN
eurjchem-2028	99	33	]	]	X
eurjchem-2028	99	34	.	.	PUNCT
eurjchem-2028	100	1	in	in	ADP
eurjchem-2028	100	2	fact	fact	NOUN
eurjchem-2028	100	3	,	,	PUNCT
eurjchem-2028	100	4	the	the	DET
eurjchem-2028	100	5	distances	distance	NOUN
eurjchem-2028	100	6	c9	c9	NOUN
eurjchem-2028	100	7	-	-	PUNCT
eurjchem-2028	100	8	o4	o4	PROPN
eurjchem-2028	100	9	=	=	PROPN
eurjchem-2028	100	10	1.310	1.310	NUM
eurjchem-2028	100	11	å	å	PROPN
eurjchem-2028	100	12	and	and	CCONJ
eurjchem-2028	100	13	c19	c19	NOUN
eurjchem-2028	100	14	-	-	PUNCT
eurjchem-2028	100	15	o3	o3	PROPN
eurjchem-2028	100	16	=	=	PROPN
eurjchem-2028	100	17	1.295	1.295	NUM
eurjchem-2028	100	18	å	å	PROPN
eurjchem-2028	100	19	is	be	AUX
eurjchem-2028	100	20	smaller	small	ADJ
eurjchem-2028	100	21	than	than	ADP
eurjchem-2028	100	22	the	the	DET
eurjchem-2028	100	23	values	value	NOUN
eurjchem-2028	100	24	observed	observe	VERB
eurjchem-2028	100	25	for	for	ADP
eurjchem-2028	100	26	some	some	DET
eurjchem-2028	100	27	analogous	analogous	ADJ
eurjchem-2028	100	28	structure	structure	NOUN
eurjchem-2028	100	29	[	[	X
eurjchem-2028	100	30	38,39	38,39	NOUN
eurjchem-2028	100	31	]	]	X
eurjchem-2028	100	32	.	.	PUNCT
eurjchem-2028	101	1	the	the	DET
eurjchem-2028	101	2	bond	bond	NOUN
eurjchem-2028	101	3	angles	angle	VERB
eurjchem-2028	101	4	o1	o1	NOUN
eurjchem-2028	101	5	-	-	PUNCT
eurjchem-2028	101	6	c2	c2	PROPN
eurjchem-2028	101	7	-	-	PUNCT
eurjchem-2028	101	8	o2	o2	PROPN
eurjchem-2028	101	9	=	=	ADJ
eurjchem-2028	101	10	114.7(3	114.7(3	NUM
eurjchem-2028	101	11	)	)	PUNCT
eurjchem-2028	101	12	°	°	PROPN
eurjchem-2028	101	13	,	,	PUNCT
eurjchem-2028	101	14	o1	o1	NOUN
eurjchem-2028	101	15	-	-	PUNCT
eurjchem-2028	101	16	c2	c2	PROPN
eurjchem-2028	101	17	-	-	PUNCT
eurjchem-2028	101	18	c1	c1	NOUN
eurjchem-2028	101	19	=	=	SYM
eurjchem-2028	101	20	127.0(3	127.0(3	NUM
eurjchem-2028	101	21	)	)	PUNCT
eurjchem-2028	101	22	°	°	NOUN
eurjchem-2028	101	23	,	,	PUNCT
eurjchem-2028	101	24	o5	o5	PROPN
eurjchem-2028	101	25	-	-	PUNCT
eurjchem-2028	101	26	c26	c26	NOUN
eurjchem-2028	101	27	-	-	PUNCT
eurjchem-2028	101	28	o6	o6	NOUN
eurjchem-2028	101	29	=	=	NOUN
eurjchem-2028	101	30	114.0(3	114.0(3	NUM
eurjchem-2028	101	31	)	)	PUNCT
eurjchem-2028	101	32	°	°	NOUN
eurjchem-2028	101	33	and	and	CCONJ
eurjchem-2028	101	34	o5	o5	PROPN
eurjchem-2028	101	35	-	-	PUNCT
eurjchem-2028	101	36	c26	c26	NOUN
eurjchem-2028	101	37	-	-	PUNCT
eurjchem-2028	101	38	c18	c18	NOUN
eurjchem-2028	101	39	=	=	PROPN
eurjchem-2028	101	40	126.8(3	126.8(3	NUM
eurjchem-2028	101	41	)	)	PUNCT
eurjchem-2028	101	42	°	°	NOUN
eurjchem-2028	101	43	are	be	AUX
eurjchem-2028	101	44	comparable	comparable	ADJ
eurjchem-2028	101	45	with	with	ADP
eurjchem-2028	101	46	the	the	DET
eurjchem-2028	101	47	values	value	NOUN
eurjchem-2028	101	48	observed	observe	VERB
eurjchem-2028	101	49	in	in	ADP
eurjchem-2028	101	50	some	some	DET
eurjchem-2028	101	51	related	relate	VERB
eurjchem-2028	101	52	structure	structure	NOUN
eurjchem-2028	101	53	.	.	PUNCT
eurjchem-2028	102	1	the	the	DET
eurjchem-2028	102	2	atoms	atom	NOUN
eurjchem-2028	102	3	in	in	ADP
eurjchem-2028	102	4	the	the	DET
eurjchem-2028	102	5	coumarin	coumarin	NOUN
eurjchem-2028	102	6	moiety	moiety	NOUN
eurjchem-2028	102	7	deviate	deviate	VERB
eurjchem-2028	102	8	slightly	slightly	ADV
eurjchem-2028	102	9	from	from	ADP
eurjchem-2028	102	10	the	the	DET
eurjchem-2028	102	11	planarity	planarity	NOUN
eurjchem-2028	102	12	maximum	maximum	ADJ
eurjchem-2028	102	13	deviation	deviation	NOUN
eurjchem-2028	102	14	observed	observe	VERB
eurjchem-2028	102	15	for	for	ADP
eurjchem-2028	102	16	c1	c1	PROPN
eurjchem-2028	102	17	[	[	X
eurjchem-2028	102	18	-0.0342	-0.0342	X
eurjchem-2028	102	19	]	]	PUNCT
eurjchem-2028	102	20	and	and	CCONJ
eurjchem-2028	102	21	c23	c23	PROPN
eurjchem-2028	102	22	[	[	X
eurjchem-2028	102	23	-0.0693	-0.0693	X
eurjchem-2028	102	24	]	]	PUNCT
eurjchem-2028	102	25	atoms	atom	NOUN
eurjchem-2028	102	26	.	.	PUNCT
eurjchem-2028	103	1	the	the	DET
eurjchem-2028	103	2	imidazole	imidazole	NOUN
eurjchem-2028	103	3	ring	ring	NOUN
eurjchem-2028	103	4	in	in	ADP
eurjchem-2028	103	5	the	the	DET
eurjchem-2028	103	6	molecule	molecule	NOUN
eurjchem-2028	103	7	adopts	adopt	VERB
eurjchem-2028	103	8	an	an	DET
eurjchem-2028	103	9	envelope	envelope	NOUN
eurjchem-2028	103	10	conformation	conformation	NOUN
eurjchem-2028	103	11	with	with	ADP
eurjchem-2028	103	12	a	a	DET
eurjchem-2028	103	13	single	single	ADJ
eurjchem-2028	103	14	mirror	mirror	NOUN
eurjchem-2028	103	15	plane	plane	NOUN
eurjchem-2028	103	16	of	of	ADP
eurjchem-2028	103	17	symmetry	symmetry	NOUN
eurjchem-2028	103	18	passing	pass	VERB
eurjchem-2028	103	19	through	through	ADP
eurjchem-2028	103	20	the	the	DET
eurjchem-2028	103	21	c13	c13	PROPN
eurjchem-2028	103	22	-	-	PUNCT
eurjchem-2028	103	23	c14	c14	PROPN
eurjchem-2028	103	24	bond	bond	NOUN
eurjchem-2028	103	25	(	(	PUNCT
eurjchem-2028	103	26	asymmetry	asymmetry	NOUN
eurjchem-2028	103	27	parameter	parameter	NOUN
eurjchem-2028	103	28	δcs	δcs	NOUN
eurjchem-2028	103	29	=	=	NUM
eurjchem-2028	103	30	0.474	0.474	NUM
eurjchem-2028	103	31	)	)	PUNCT
eurjchem-2028	103	32	.	.	PUNCT
eurjchem-2028	104	1	the	the	DET
eurjchem-2028	104	2	packing	packing	NOUN
eurjchem-2028	104	3	of	of	ADP
eurjchem-2028	104	4	the	the	DET
eurjchem-2028	104	5	molecules	molecule	NOUN
eurjchem-2028	104	6	in	in	ADP
eurjchem-2028	104	7	the	the	DET
eurjchem-2028	104	8	unit	unit	NOUN
eurjchem-2028	104	9	cell	cell	NOUN
eurjchem-2028	104	10	is	be	AUX
eurjchem-2028	104	11	governed	govern	VERB
eurjchem-2028	104	12	by	by	ADP
eurjchem-2028	104	13	both	both	CCONJ
eurjchem-2028	104	14	the	the	DET
eurjchem-2028	104	15	intra	intra	ADJ
eurjchem-2028	104	16	and	and	CCONJ
eurjchem-2028	104	17	intermolecular	intermolecular	ADJ
eurjchem-2028	104	18	interactions	interaction	NOUN
eurjchem-2028	104	19	.	.	PUNCT
eurjchem-2028	105	1	in	in	ADP
eurjchem-2028	105	2	the	the	DET
eurjchem-2028	105	3	crystal	crystal	NOUN
eurjchem-2028	105	4	structure	structure	NOUN
eurjchem-2028	105	5	,	,	PUNCT
eurjchem-2028	105	6	adjacent	adjacent	ADJ
eurjchem-2028	105	7	molecules	molecule	NOUN
eurjchem-2028	105	8	are	be	AUX
eurjchem-2028	105	9	interconnected	interconnect	VERB
eurjchem-2028	105	10	through	through	ADP
eurjchem-2028	105	11	n1h1···o1	n1h1···o1	PROPN
eurjchem-2028	105	12	,	,	PUNCT
eurjchem-2028	105	13	n1	n1	NOUN
eurjchem-2028	105	14	-	-	PUNCT
eurjchem-2028	105	15	h1···o5	h1···o5	NOUN
eurjchem-2028	105	16	,	,	PUNCT
eurjchem-2028	105	17	n4	n4	PROPN
eurjchem-2028	105	18	-	-	PUNCT
eurjchem-2028	105	19	h4a···o1	h4a···o1	PROPN
eurjchem-2028	105	20	,	,	PUNCT
eurjchem-2028	105	21	c23	c23	PROPN
eurjchem-2028	105	22	-	-	PUNCT
eurjchem-2028	105	23	h23···n2	h23···n2	PROPN
eurjchem-2028	105	24	and	and	CCONJ
eurjchem-2028	105	25	o3h3a	o3h3a	NUM
eurjchem-2028	105	26	…	…	SYM
eurjchem-2028	105	27	n4	n4	PROPN
eurjchem-2028	105	28	intermolecular	intermolecular	ADJ
eurjchem-2028	105	29	hydrogen	hydrogen	NOUN
eurjchem-2028	105	30	bonds	bond	NOUN
eurjchem-2028	105	31	.	.	PUNCT
eurjchem-2028	106	1	here	here	ADV
eurjchem-2028	106	2	,	,	PUNCT
eurjchem-2028	106	3	the	the	DET
eurjchem-2028	106	4	atoms	atom	NOUN
eurjchem-2028	106	5	o1	o1	NOUN
eurjchem-2028	106	6	,	,	PUNCT
eurjchem-2028	106	7	o5	o5	PROPN
eurjchem-2028	106	8	,	,	PUNCT
eurjchem-2028	106	9	n2	n2	NOUN
eurjchem-2028	106	10	,	,	PUNCT
eurjchem-2028	106	11	and	and	CCONJ
eurjchem-2028	106	12	n4	n4	PROPN
eurjchem-2028	106	13	and	and	CCONJ
eurjchem-2028	106	14	nitrogen	nitrogen	PROPN
eurjchem-2028	106	15	atom	atom	NOUN
eurjchem-2028	106	16	n1	n1	NOUN
eurjchem-2028	106	17	of	of	ADP
eurjchem-2028	106	18	the	the	DET
eurjchem-2028	106	19	five	five	NUM
eurjchem-2028	106	20	-	-	PUNCT
eurjchem-2028	106	21	membered	membere	VERB
eurjchem-2028	106	22	thiazole	thiazole	NOUN
eurjchem-2028	106	23	ring	ring	NOUN
eurjchem-2028	106	24	act	act	NOUN
eurjchem-2028	106	25	as	as	ADP
eurjchem-2028	106	26	hydrogen	hydrogen	NOUN
eurjchem-2028	106	27	bond	bond	NOUN
eurjchem-2028	106	28	acceptors	acceptor	NOUN
eurjchem-2028	106	29	while	while	SCONJ
eurjchem-2028	106	30	the	the	DET
eurjchem-2028	106	31	atoms	atom	NOUN
eurjchem-2028	106	32	n4	n4	PROPN
eurjchem-2028	106	33	,	,	PUNCT
eurjchem-2028	106	34	c23	c23	PROPN
eurjchem-2028	106	35	and	and	CCONJ
eurjchem-2028	106	36	o3	o3	PROPN
eurjchem-2028	106	37	act	act	PROPN
eurjchem-2028	106	38	as	as	ADP
eurjchem-2028	106	39	hydrogen	hydrogen	NOUN
eurjchem-2028	106	40	bond	bond	NOUN
eurjchem-2028	106	41	donors	donor	NOUN
eurjchem-2028	106	42	.	.	PUNCT
eurjchem-2028	107	1	in	in	ADP
eurjchem-2028	107	2	addition	addition	NOUN
eurjchem-2028	107	3	to	to	ADP
eurjchem-2028	107	4	the	the	DET
eurjchem-2028	107	5	intermolecular	intermolecular	ADJ
eurjchem-2028	107	6	hydrogen	hydrogen	NOUN
eurjchem-2028	107	7	bonding	bonding	NOUN
eurjchem-2028	107	8	network	network	NOUN
eurjchem-2028	107	9	,	,	PUNCT
eurjchem-2028	107	10	c17	c17	NOUN
eurjchem-2028	107	11	-	-	PUNCT
eurjchem-2028	107	12	h17···o1	h17···o1	PROPN
eurjchem-2028	107	13	,	,	PUNCT
eurjchem-2028	107	14	c17h17···o5	c17h17···o5	NOUN
eurjchem-2028	107	15	and	and	CCONJ
eurjchem-2028	107	16	o4	o4	PROPN
eurjchem-2028	107	17	-	-	PUNCT
eurjchem-2028	107	18	h4c···o3	h4c···o3	PROPN
eurjchem-2028	107	19	intramolecular	intramolecular	ADJ
eurjchem-2028	107	20	interactions	interaction	NOUN
eurjchem-2028	107	21	have	have	AUX
eurjchem-2028	107	22	also	also	ADV
eurjchem-2028	107	23	been	be	AUX
eurjchem-2028	107	24	observed	observe	VERB
eurjchem-2028	107	25	which	which	PRON
eurjchem-2028	107	26	results	result	VERB
eurjchem-2028	107	27	in	in	ADP
eurjchem-2028	107	28	the	the	DET
eurjchem-2028	107	29	formation	formation	NOUN
eurjchem-2028	107	30	of	of	ADP
eurjchem-2028	107	31	two	two	NUM
eurjchem-2028	107	32	(	(	PUNCT
eurjchem-2028	107	33	virtual	virtual	ADJ
eurjchem-2028	107	34	five	five	NUM
eurjchem-2028	107	35	-	-	PUNCT
eurjchem-2028	107	36	membered	membere	VERB
eurjchem-2028	107	37	rings	ring	NOUN
eurjchem-2028	107	38	)	)	PUNCT
eurjchem-2028	107	39	with	with	ADP
eurjchem-2028	107	40	a	a	DET
eurjchem-2028	107	41	graph	graph	NOUN
eurjchem-2028	107	42	-	-	PUNCT
eurjchem-2028	107	43	set	set	VERB
eurjchem-2028	107	44	motif	motif	NOUN
eurjchem-2028	107	45	s(5	s(5	PROPN
eurjchem-2028	107	46	)	)	PUNCT
eurjchem-2028	107	47	(	(	PUNCT
eurjchem-2028	107	48	figure	figure	NOUN
eurjchem-2028	107	49	1	1	NUM
eurjchem-2028	107	50	)	)	PUNCT
eurjchem-2028	107	51	.	.	PUNCT
eurjchem-2028	108	1	the	the	DET
eurjchem-2028	108	2	supramolecular	supramolecular	ADJ
eurjchem-2028	108	3	assembly	assembly	NOUN
eurjchem-2028	108	4	is	be	AUX
eurjchem-2028	108	5	formed	form	VERB
eurjchem-2028	108	6	by	by	ADP
eurjchem-2028	108	7	the	the	DET
eurjchem-2028	108	8	intermolecular	intermolecular	ADJ
eurjchem-2028	108	9	interactions	interaction	NOUN
eurjchem-2028	108	10	of	of	ADP
eurjchem-2028	108	11	the	the	DET
eurjchem-2028	108	12	type	type	NOUN
eurjchem-2028	108	13	n	n	CCONJ
eurjchem-2028	108	14	-	-	PUNCT
eurjchem-2028	108	15	h···o	h···o	PROPN
eurjchem-2028	108	16	and	and	CCONJ
eurjchem-2028	108	17	o	o	NOUN
eurjchem-2028	108	18	-	-	NOUN
eurjchem-2028	108	19	h	h	NOUN
eurjchem-2028	108	20	…	…	PUNCT
eurjchem-2028	108	21	n	n	NUM
eurjchem-2028	108	22	which	which	PRON
eurjchem-2028	108	23	links	link	VERB
eurjchem-2028	108	24	the	the	DET
eurjchem-2028	108	25	molecules	molecule	NOUN
eurjchem-2028	108	26	to	to	PART
eurjchem-2028	108	27	form	form	VERB
eurjchem-2028	108	28	a	a	DET
eurjchem-2028	108	29	chain	chain	NOUN
eurjchem-2028	108	30	running	running	NOUN
eurjchem-2028	108	31	parallel	parallel	NOUN
eurjchem-2028	108	32	to	to	ADP
eurjchem-2028	108	33	aaxis	aaxis	NOUN
eurjchem-2028	108	34	,	,	PUNCT
eurjchem-2028	108	35	whereas	whereas	SCONJ
eurjchem-2028	108	36	hydrogen	hydrogen	NOUN
eurjchem-2028	108	37	bond	bond	NOUN
eurjchem-2028	108	38	of	of	ADP
eurjchem-2028	108	39	the	the	DET
eurjchem-2028	108	40	type	type	NOUN
eurjchem-2028	108	41	c	c	NOUN
eurjchem-2028	108	42	-	-	PUNCT
eurjchem-2028	108	43	h···n	h···n	NOUN
eurjchem-2028	108	44	having	have	VERB
eurjchem-2028	108	45	atom	atom	NOUN
eurjchem-2028	108	46	c23	c23	PROPN
eurjchem-2028	108	47	as	as	SCONJ
eurjchem-2028	108	48	the	the	DET
eurjchem-2028	108	49	donor	donor	NOUN
eurjchem-2028	108	50	links	link	VERB
eurjchem-2028	108	51	the	the	DET
eurjchem-2028	108	52	molecules	molecule	NOUN
eurjchem-2028	108	53	to	to	PART
eurjchem-2028	108	54	form	form	VERB
eurjchem-2028	108	55	a	a	DET
eurjchem-2028	108	56	chain	chain	NOUN
eurjchem-2028	108	57	parallel	parallel	NOUN
eurjchem-2028	108	58	to	to	ADP
eurjchem-2028	108	59	b	b	NOUN
eurjchem-2028	108	60	-	-	PUNCT
eurjchem-2028	108	61	axis	axis	NOUN
eurjchem-2028	108	62	.	.	PUNCT
eurjchem-2028	109	1	the	the	DET
eurjchem-2028	109	2	n1	n1	PROPN
eurjchem-2028	109	3	atom	atom	NOUN
eurjchem-2028	109	4	of	of	ADP
eurjchem-2028	109	5	thiazole	thiazole	NOUN
eurjchem-2028	109	6	ring	ring	NOUN
eurjchem-2028	109	7	is	be	AUX
eurjchem-2028	109	8	the	the	DET
eurjchem-2028	109	9	hydrogen	hydrogen	NOUN
eurjchem-2028	109	10	bond	bond	NOUN
eurjchem-2028	109	11	donor	donor	NOUN
eurjchem-2028	109	12	that	that	PRON
eurjchem-2028	109	13	forms	form	NOUN
eurjchem-2028	109	14	bifurcated	bifurcate	VERB
eurjchem-2028	109	15	hydrogen	hydrogen	NOUN
eurjchem-2028	109	16	bonds	bond	NOUN
eurjchem-2028	109	17	with	with	ADP
eurjchem-2028	109	18	two	two	NUM
eurjchem-2028	109	19	different	different	ADJ
eurjchem-2028	109	20	carbonyl	carbonyl	NOUN
eurjchem-2028	109	21	groups	group	NOUN
eurjchem-2028	110	1	[	[	X
eurjchem-2028	110	2	n1	n1	NOUN
eurjchem-2028	110	3	-	-	PUNCT
eurjchem-2028	110	4	h1···o1	h1···o1	PUNCT
eurjchem-2028	110	5	(	(	PUNCT
eurjchem-2028	110	6	2.966	2.966	NUM
eurjchem-2028	110	7	å	å	NOUN
eurjchem-2028	110	8	)	)	PUNCT
eurjchem-2028	110	9	,	,	PUNCT
eurjchem-2028	110	10	n1	n1	NOUN
eurjchem-2028	110	11	-	-	PUNCT
eurjchem-2028	110	12	h1···o5	h1···o5	NOUN
eurjchem-2028	110	13	(	(	PUNCT
eurjchem-2028	110	14	2.724	2.724	NUM
eurjchem-2028	110	15	å	å	NOUN
eurjchem-2028	110	16	)	)	PUNCT
eurjchem-2028	110	17	give	give	VERB
eurjchem-2028	110	18	rise	rise	NOUN
eurjchem-2028	110	19	to	to	ADP
eurjchem-2028	110	20	𝑅𝑅21(6	𝑅𝑅21(6	NOUN
eurjchem-2028	110	21	)	)	PUNCT
eurjchem-2028	110	22	motif	motif	NOUN
eurjchem-2028	110	23	.	.	PUNCT
eurjchem-2028	111	1	intermolecular	intermolecular	ADJ
eurjchem-2028	111	2	hydrogen	hydrogen	NOUN
eurjchem-2028	111	3	bonds	bond	NOUN
eurjchem-2028	111	4	of	of	ADP
eurjchem-2028	111	5	the	the	DET
eurjchem-2028	111	6	type	type	NOUN
eurjchem-2028	111	7	n	n	CCONJ
eurjchem-2028	111	8	-	-	PUNCT
eurjchem-2028	111	9	h···o	h···o	PROPN
eurjchem-2028	111	10	and	and	CCONJ
eurjchem-2028	111	11	o	o	NOUN
eurjchem-2028	111	12	-	-	NOUN
eurjchem-2028	111	13	h	h	NOUN
eurjchem-2028	111	14	…	…	PUNCT
eurjchem-2028	111	15	n	n	X
eurjchem-2028	111	16	are	be	AUX
eurjchem-2028	111	17	mainly	mainly	ADV
eurjchem-2028	111	18	responsible	responsible	ADJ
eurjchem-2028	111	19	for	for	ADP
eurjchem-2028	111	20	stabilizing	stabilize	VERB
eurjchem-2028	111	21	the	the	DET
eurjchem-2028	111	22	crystal	crystal	NOUN
eurjchem-2028	111	23	packing	packing	NOUN
eurjchem-2028	111	24	.	.	PUNCT
eurjchem-2028	112	1	sharma	sharma	PROPN
eurjchem-2028	112	2	et	et	PROPN
eurjchem-2028	112	3	al	al	PROPN
eurjchem-2028	112	4	.	.	PUNCT
eurjchem-2028	112	5	/	/	SYM
eurjchem-2028	112	6	european	european	PROPN
eurjchem-2028	112	7	journal	journal	PROPN
eurjchem-2028	112	8	of	of	ADP
eurjchem-2028	112	9	chemistry	chemistry	NOUN
eurjchem-2028	112	10	11	11	NUM
eurjchem-2028	112	11	(	(	PUNCT
eurjchem-2028	112	12	4	4	NUM
eurjchem-2028	112	13	)	)	PUNCT
eurjchem-2028	112	14	(	(	PUNCT
eurjchem-2028	112	15	2020	2020	NUM
eurjchem-2028	112	16	)	)	PUNCT
eurjchem-2028	112	17	324	324	NUM
eurjchem-2028	112	18	-	-	SYM
eurjchem-2028	112	19	333	333	NUM
eurjchem-2028	112	20	327	327	NUM
eurjchem-2028	112	21	2020	2020	NUM
eurjchem-2028	112	22	–	–	PUNCT
eurjchem-2028	112	23	european	european	ADJ
eurjchem-2028	112	24	journal	journal	NOUN
eurjchem-2028	112	25	of	of	ADP
eurjchem-2028	112	26	chemistry	chemistry	NOUN
eurjchem-2028	112	27	–	–	PUNCT
eurjchem-2028	112	28	cc	cc	NOUN
eurjchem-2028	112	29	by	by	ADP
eurjchem-2028	112	30	nc	nc	PROPN
eurjchem-2028	112	31	–	–	PUNCT
eurjchem-2028	112	32	doi	doi	NOUN
eurjchem-2028	112	33	:	:	PUNCT
eurjchem-2028	112	34	10.5155	10.5155	NUM
eurjchem-2028	112	35	/	/	SYM
eurjchem-2028	112	36	eurjchem.11.4.324	eurjchem.11.4.324	NUM
eurjchem-2028	112	37	-	-	PUNCT
eurjchem-2028	112	38	333.2028	333.2028	NUM
eurjchem-2028	112	39	table	table	NOUN
eurjchem-2028	112	40	2	2	NUM
eurjchem-2028	112	41	.	.	PUNCT
eurjchem-2028	112	42	comparison	comparison	NOUN
eurjchem-2028	112	43	between	between	ADP
eurjchem-2028	112	44	experimental	experimental	ADJ
eurjchem-2028	112	45	and	and	CCONJ
eurjchem-2028	112	46	calculated	calculate	VERB
eurjchem-2028	112	47	selected	select	VERB
eurjchem-2028	112	48	bond	bond	NOUN
eurjchem-2028	112	49	lengths	length	NOUN
eurjchem-2028	112	50	(	(	PUNCT
eurjchem-2028	112	51	å	å	NOUN
eurjchem-2028	112	52	)	)	PUNCT
eurjchem-2028	112	53	and	and	CCONJ
eurjchem-2028	112	54	bond	bond	NOUN
eurjchem-2028	112	55	angles	angle	NOUN
eurjchem-2028	112	56	(	(	PUNCT
eurjchem-2028	112	57	°	°	NOUN
eurjchem-2028	112	58	)	)	PUNCT
eurjchem-2028	112	59	of	of	ADP
eurjchem-2028	112	60	c26h18n2o6·c4h6n2s	c26h18n2o6·c4h6n2s	PUNCT
eurjchem-2028	112	61	using	use	VERB
eurjchem-2028	112	62	hf	hf	NOUN
eurjchem-2028	112	63	and	and	CCONJ
eurjchem-2028	112	64	dft/6	dft/6	PROPN
eurjchem-2028	112	65	-	-	PUNCT
eurjchem-2028	112	66	311	311	NUM
eurjchem-2028	112	67	g	g	NOUN
eurjchem-2028	112	68	basis	basis	NOUN
eurjchem-2028	112	69	set	set	NOUN
eurjchem-2028	112	70	.	.	PUNCT
eurjchem-2028	113	1	bond	bond	NOUN
eurjchem-2028	113	2	bond	bond	NOUN
eurjchem-2028	113	3	lengths	length	NOUN
eurjchem-2028	113	4	bond	bond	NOUN
eurjchem-2028	113	5	bond	bond	NOUN
eurjchem-2028	113	6	lengths	length	NOUN
eurjchem-2028	113	7	experimental	experimental	ADJ
eurjchem-2028	113	8	calculated	calculate	VERB
eurjchem-2028	113	9	experimental	experimental	ADJ
eurjchem-2028	113	10	calculated	calculate	VERB
eurjchem-2028	113	11	hf/6	hf/6	NOUN
eurjchem-2028	113	12	-	-	PUNCT
eurjchem-2028	113	13	311	311	NUM
eurjchem-2028	113	14	g	g	ADP
eurjchem-2028	113	15	dft/6	dft/6	PROPN
eurjchem-2028	113	16	-	-	PUNCT
eurjchem-2028	113	17	311	311	NUM
eurjchem-2028	113	18	g	g	NOUN
eurjchem-2028	113	19	hf/6	hf/6	NOUN
eurjchem-2028	113	20	-	-	SYM
eurjchem-2028	113	21	311	311	NUM
eurjchem-2028	113	22	g	g	ADP
eurjchem-2028	113	23	dft/6	dft/6	PROPN
eurjchem-2028	113	24	-	-	PUNCT
eurjchem-2028	113	25	311	311	NUM
eurjchem-2028	113	26	g	g	NOUN
eurjchem-2028	113	27	c13	c13	PROPN
eurjchem-2028	113	28	-	-	PUNCT
eurjchem-2028	113	29	n3	n3	PROPN
eurjchem-2028	113	30	1.387(5	1.387(5	NUM
eurjchem-2028	113	31	)	)	PUNCT
eurjchem-2028	113	32	1.401	1.401	NUM
eurjchem-2028	113	33	1.398	1.398	NUM
eurjchem-2028	113	34	c26	c26	NOUN
eurjchem-2028	113	35	-	-	PUNCT
eurjchem-2028	113	36	o5	o5	PROPN
eurjchem-2028	113	37	1.211(4	1.211(4	NUM
eurjchem-2028	113	38	)	)	PUNCT
eurjchem-2028	113	39	1.212	1.212	NUM
eurjchem-2028	113	40	1.234	1.234	NUM
eurjchem-2028	113	41	c14	c14	NOUN
eurjchem-2028	113	42	-	-	PUNCT
eurjchem-2028	113	43	n2	n2	NOUN
eurjchem-2028	113	44	1.387(5	1.387(5	NUM
eurjchem-2028	113	45	)	)	PUNCT
eurjchem-2028	113	46	1.318	1.318	NUM
eurjchem-2028	113	47	1.342	1.342	NUM
eurjchem-2028	113	48	c26	c26	NOUN
eurjchem-2028	113	49	-	-	PUNCT
eurjchem-2028	113	50	o6	o6	NOUN
eurjchem-2028	113	51	1.387(4	1.387(4	NUM
eurjchem-2028	113	52	)	)	PUNCT
eurjchem-2028	113	53	1.370	1.370	NUM
eurjchem-2028	113	54	1.421	1.421	NUM
eurjchem-2028	113	55	c10	c10	VERB
eurjchem-2028	113	56	-	-	PUNCT
eurjchem-2028	113	57	c17	c17	NOUN
eurjchem-2028	113	58	1.533(4	1.533(4	NOUN
eurjchem-2028	113	59	)	)	PUNCT
eurjchem-2028	113	60	1.508	1.508	NUM
eurjchem-2028	113	61	1.508	1.508	NUM
eurjchem-2028	113	62	c19	c19	NOUN
eurjchem-2028	113	63	-	-	PUNCT
eurjchem-2028	113	64	o3	o3	PROPN
eurjchem-2028	113	65	1.295(4	1.295(4	NUM
eurjchem-2028	113	66	)	)	PUNCT
eurjchem-2028	113	67	1.339	1.339	NUM
eurjchem-2028	113	68	1.349	1.349	NUM
eurjchem-2028	113	69	n2	n2	ADJ
eurjchem-2028	113	70	-	-	PUNCT
eurjchem-2028	113	71	c16	c16	PROPN
eurjchem-2028	113	72	1.425(5	1.425(5	PROPN
eurjchem-2028	113	73	)	)	PUNCT
eurjchem-2028	113	74	1.470	1.470	NUM
eurjchem-2028	113	75	1.479	1.479	NUM
eurjchem-2028	113	76	c25	c25	PROPN
eurjchem-2028	113	77	-	-	PUNCT
eurjchem-2028	113	78	o6	o6	NOUN
eurjchem-2028	113	79	1.366(4	1.366(4	NUM
eurjchem-2028	113	80	)	)	PUNCT
eurjchem-2028	113	81	1.368	1.368	NUM
eurjchem-2028	113	82	1.387	1.387	NUM
eurjchem-2028	113	83	c2	c2	PROPN
eurjchem-2028	113	84	-	-	PUNCT
eurjchem-2028	113	85	o2	o2	PROPN
eurjchem-2028	113	86	1.375(4	1.375(4	NUM
eurjchem-2028	113	87	)	)	PUNCT
eurjchem-2028	113	88	1.391	1.391	NUM
eurjchem-2028	113	89	1.427	1.427	NUM
eurjchem-2028	113	90	c28	c28	NOUN
eurjchem-2028	113	91	-	-	PUNCT
eurjchem-2028	113	92	c27	c27	NOUN
eurjchem-2028	113	93	1.317(6	1.317(6	NUM
eurjchem-2028	113	94	)	)	PUNCT
eurjchem-2028	113	95	1.323	1.323	NUM
eurjchem-2028	113	96	1.343	1.343	NUM
eurjchem-2028	113	97	c2	c2	PROPN
eurjchem-2028	113	98	-	-	PUNCT
eurjchem-2028	113	99	o1	o1	NOUN
eurjchem-2028	113	100	1.213(4	1.213(4	NOUN
eurjchem-2028	113	101	)	)	PUNCT
eurjchem-2028	113	102	1.277	1.277	NUM
eurjchem-2028	113	103	1.293	1.293	NUM
eurjchem-2028	113	104	c28	c28	NOUN
eurjchem-2028	113	105	-	-	PUNCT
eurjchem-2028	113	106	s1	s1	NOUN
eurjchem-2028	113	107	1.755(4	1.755(4	NUM
eurjchem-2028	113	108	)	)	PUNCT
eurjchem-2028	113	109	1.845	1.845	NUM
eurjchem-2028	113	110	1.856	1.856	NUM
eurjchem-2028	113	111	c17	c17	NOUN
eurjchem-2028	113	112	-	-	PUNCT
eurjchem-2028	113	113	c1	c1	PROPN
eurjchem-2028	113	114	1.526(5	1.526(5	NUM
eurjchem-2028	113	115	)	)	PUNCT
eurjchem-2028	113	116	1.541	1.541	NUM
eurjchem-2028	113	117	1.553	1.553	NUM
eurjchem-2028	113	118	c28	c28	NOUN
eurjchem-2028	113	119	-	-	PUNCT
eurjchem-2028	113	120	c29	c29	NOUN
eurjchem-2028	113	121	1.500(6	1.500(6	NUM
eurjchem-2028	113	122	)	)	PUNCT
eurjchem-2028	113	123	1.488	1.488	NUM
eurjchem-2028	113	124	1.489	1.489	NUM
eurjchem-2028	113	125	c9	c9	NOUN
eurjchem-2028	113	126	-	-	PUNCT
eurjchem-2028	113	127	o4	o4	PROPN
eurjchem-2028	113	128	1.310(4	1.310(4	NUM
eurjchem-2028	113	129	)	)	PUNCT
eurjchem-2028	113	130	1.450	1.450	NUM
eurjchem-2028	113	131	1.486	1.486	NUM
eurjchem-2028	113	132	c27	c27	NOUN
eurjchem-2028	113	133	-	-	PUNCT
eurjchem-2028	113	134	n1	n1	PROPN
eurjchem-2028	113	135	1.373(6	1.373(6	NUM
eurjchem-2028	113	136	)	)	PUNCT
eurjchem-2028	113	137	1.387	1.387	NUM
eurjchem-2028	113	138	1.393	1.393	NUM
eurjchem-2028	113	139	c17	c17	NOUN
eurjchem-2028	113	140	-	-	PUNCT
eurjchem-2028	113	141	c18	c18	NOUN
eurjchem-2028	113	142	1.527(5	1.527(5	NUM
eurjchem-2028	113	143	)	)	PUNCT
eurjchem-2028	113	144	1.512	1.512	NUM
eurjchem-2028	113	145	1.514	1.514	NUM
eurjchem-2028	113	146	c30	c30	PROPN
eurjchem-2028	113	147	-	-	PUNCT
eurjchem-2028	113	148	n1	n1	NOUN
eurjchem-2028	113	149	1.326(5	1.326(5	NUM
eurjchem-2028	113	150	)	)	PUNCT
eurjchem-2028	113	151	1.361	1.361	NUM
eurjchem-2028	113	152	1.374	1.374	NUM
eurjchem-2028	113	153	c13	c13	PROPN
eurjchem-2028	113	154	-	-	PUNCT
eurjchem-2028	113	155	c14	c14	PROPN
eurjchem-2028	113	156	1.367(6	1.367(6	NUM
eurjchem-2028	113	157	)	)	PUNCT
eurjchem-2028	113	158	1.455	1.455	NUM
eurjchem-2028	113	159	1.459	1.459	NUM
eurjchem-2028	113	160	c30	c30	PROPN
eurjchem-2028	113	161	-	-	PUNCT
eurjchem-2028	113	162	s1	s1	PROPN
eurjchem-2028	113	163	1.717(4	1.717(4	NUM
eurjchem-2028	113	164	)	)	PUNCT
eurjchem-2028	113	165	1.845	1.845	NUM
eurjchem-2028	113	166	1.890	1.890	NUM
eurjchem-2028	113	167	c3	c3	PROPN
eurjchem-2028	113	168	-	-	PUNCT
eurjchem-2028	113	169	o2	o2	PROPN
eurjchem-2028	113	170	1.369(4	1.369(4	NUM
eurjchem-2028	113	171	)	)	PUNCT
eurjchem-2028	113	172	1.377	1.377	NUM
eurjchem-2028	113	173	1.402	1.402	NUM
eurjchem-2028	113	174	c30	c30	PROPN
eurjchem-2028	113	175	-	-	PUNCT
eurjchem-2028	113	176	n4	n4	PROPN
eurjchem-2028	113	177	1.317(5	1.317(5	NUM
eurjchem-2028	113	178	)	)	PUNCT
eurjchem-2028	113	179	1.267	1.267	NUM
eurjchem-2028	113	180	1.285	1.285	NUM
eurjchem-2028	113	181	n3	n3	VERB
eurjchem-2028	113	182	-	-	PUNCT
eurjchem-2028	113	183	c16	c16	PROPN
eurjchem-2028	113	184	1.418(6	1.418(6	NUM
eurjchem-2028	113	185	)	)	PUNCT
eurjchem-2028	113	186	1.452	1.452	NUM
eurjchem-2028	113	187	1.460	1.460	NUM
eurjchem-2028	113	188	bond	bond	NOUN
eurjchem-2028	113	189	bond	bond	NOUN
eurjchem-2028	113	190	angles	angle	VERB
eurjchem-2028	113	191	hf/6	hf/6	NOUN
eurjchem-2028	113	192	-	-	PUNCT
eurjchem-2028	113	193	311	311	NUM
eurjchem-2028	113	194	g	g	ADP
eurjchem-2028	113	195	dft/6	dft/6	PROPN
eurjchem-2028	113	196	-	-	PUNCT
eurjchem-2028	113	197	311	311	NUM
eurjchem-2028	113	198	g	g	NOUN
eurjchem-2028	113	199	bond	bond	NOUN
eurjchem-2028	113	200	bond	bond	NOUN
eurjchem-2028	113	201	angles	angle	VERB
eurjchem-2028	113	202	hf	hf	NOUN
eurjchem-2028	113	203	/6	/6	PUNCT
eurjchem-2028	113	204	-	-	PUNCT
eurjchem-2028	113	205	311	311	NUM
eurjchem-2028	113	206	g	g	ADP
eurjchem-2028	113	207	dft/6	dft/6	PROPN
eurjchem-2028	113	208	-	-	PUNCT
eurjchem-2028	113	209	311	311	NUM
eurjchem-2028	113	210	g	g	NOUN
eurjchem-2028	113	211	s1	s1	NOUN
eurjchem-2028	113	212	-	-	PUNCT
eurjchem-2028	113	213	c28	c28	NOUN
eurjchem-2028	113	214	-	-	PUNCT
eurjchem-2028	113	215	c29	c29	NOUN
eurjchem-2028	113	216	121.5(4	121.5(4	NOUN
eurjchem-2028	113	217	)	)	PUNCT
eurjchem-2028	113	218	120.3	120.3	NUM
eurjchem-2028	113	219	120.5	120.5	NUM
eurjchem-2028	113	220	c17	c17	NOUN
eurjchem-2028	113	221	-	-	PUNCT
eurjchem-2028	113	222	c18	c18	NOUN
eurjchem-2028	113	223	-	-	PUNCT
eurjchem-2028	113	224	c19	c19	NOUN
eurjchem-2028	113	225	124.2(3	124.2(3	NUM
eurjchem-2028	113	226	)	)	PUNCT
eurjchem-2028	113	227	127.9	127.9	NUM
eurjchem-2028	113	228	127.5	127.5	NUM
eurjchem-2028	113	229	c17	c17	NOUN
eurjchem-2028	113	230	-	-	PUNCT
eurjchem-2028	113	231	c1	c1	NOUN
eurjchem-2028	113	232	-	-	PUNCT
eurjchem-2028	113	233	c2	c2	PROPN
eurjchem-2028	113	234	115.9(3	115.9(3	NUM
eurjchem-2028	113	235	)	)	PUNCT
eurjchem-2028	113	236	129.3	129.3	NUM
eurjchem-2028	113	237	128.5	128.5	NUM
eurjchem-2028	113	238	c18	c18	NOUN
eurjchem-2028	113	239	-	-	PUNCT
eurjchem-2028	113	240	c19	c19	PROPN
eurjchem-2028	113	241	-	-	PUNCT
eurjchem-2028	113	242	o3	o3	PROPN
eurjchem-2028	113	243	122.6(3	122.6(3	NUM
eurjchem-2028	113	244	)	)	PUNCT
eurjchem-2028	113	245	123.9	123.9	NUM
eurjchem-2028	113	246	123.8	123.8	NUM
eurjchem-2028	113	247	c17	c17	NOUN
eurjchem-2028	113	248	-	-	PUNCT
eurjchem-2028	113	249	c1	c1	NOUN
eurjchem-2028	113	250	-	-	PUNCT
eurjchem-2028	113	251	c9	c9	PROPN
eurjchem-2028	113	252	123.6(3	123.6(3	PROPN
eurjchem-2028	113	253	)	)	PUNCT
eurjchem-2028	113	254	104.0	104.0	NUM
eurjchem-2028	113	255	104.0	104.0	NUM
eurjchem-2028	113	256	o5	o5	PROPN
eurjchem-2028	113	257	-	-	PUNCT
eurjchem-2028	113	258	c26	c26	NOUN
eurjchem-2028	113	259	-	-	PUNCT
eurjchem-2028	113	260	c18	c18	NOUN
eurjchem-2028	113	261	126.8(3	126.8(3	NUM
eurjchem-2028	113	262	)	)	PUNCT
eurjchem-2028	113	263	125.1	125.1	NUM
eurjchem-2028	113	264	126.2	126.2	NUM
eurjchem-2028	113	265	c20	c20	NOUN
eurjchem-2028	113	266	-	-	PUNCT
eurjchem-2028	113	267	c19	c19	PROPN
eurjchem-2028	113	268	-	-	PUNCT
eurjchem-2028	113	269	o3	o3	PROPN
eurjchem-2028	113	270	119.6(3	119.6(3	NUM
eurjchem-2028	113	271	)	)	PUNCT
eurjchem-2028	113	272	114.7	114.7	NUM
eurjchem-2028	113	273	115.2	115.2	NUM
eurjchem-2028	113	274	o6	o6	NOUN
eurjchem-2028	113	275	-	-	PUNCT
eurjchem-2028	113	276	c26	c26	NOUN
eurjchem-2028	113	277	-	-	PUNCT
eurjchem-2028	113	278	o5	o5	PROPN
eurjchem-2028	113	279	114.0(3	114.0(3	NUM
eurjchem-2028	113	280	)	)	PUNCT
eurjchem-2028	113	281	117.0	117.0	NUM
eurjchem-2028	113	282	115.8	115.8	NUM
eurjchem-2028	113	283	c1	c1	PROPN
eurjchem-2028	113	284	-	-	PUNCT
eurjchem-2028	113	285	c2	c2	PROPN
eurjchem-2028	113	286	-	-	PUNCT
eurjchem-2028	113	287	o1	o1	NOUN
eurjchem-2028	113	288	127.0(3	127.0(3	NOUN
eurjchem-2028	113	289	)	)	PUNCT
eurjchem-2028	113	290	129.4	129.4	NUM
eurjchem-2028	113	291	130.1	130.1	NUM
eurjchem-2028	113	292	c26	c26	NOUN
eurjchem-2028	113	293	-	-	PUNCT
eurjchem-2028	113	294	c18	c18	NOUN
eurjchem-2028	113	295	-	-	PUNCT
eurjchem-2028	113	296	c17	c17	NOUN
eurjchem-2028	113	297	114.8(3	114.8(3	NUM
eurjchem-2028	113	298	)	)	PUNCT
eurjchem-2028	113	299	113.1	113.1	NUM
eurjchem-2028	113	300	112.5	112.5	NUM
eurjchem-2028	113	301	o2	o2	PROPN
eurjchem-2028	113	302	-	-	PUNCT
eurjchem-2028	113	303	c2	c2	PROPN
eurjchem-2028	113	304	-	-	PUNCT
eurjchem-2028	113	305	o1	o1	NOUN
eurjchem-2028	113	306	114.7(3	114.7(3	NUM
eurjchem-2028	113	307	)	)	PUNCT
eurjchem-2028	113	308	111.9	111.9	NUM
eurjchem-2028	113	309	111.0	111.0	NUM
eurjchem-2028	113	310	c15	c15	NOUN
eurjchem-2028	113	311	-	-	PUNCT
eurjchem-2028	113	312	c10	c10	NOUN
eurjchem-2028	113	313	-	-	PUNCT
eurjchem-2028	113	314	c17	c17	NOUN
eurjchem-2028	113	315	118.7(3	118.7(3	NUM
eurjchem-2028	113	316	)	)	PUNCT
eurjchem-2028	113	317	127.8	127.8	NUM
eurjchem-2028	113	318	127.4	127.4	NUM
eurjchem-2028	113	319	c8	c8	NOUN
eurjchem-2028	113	320	-	-	PUNCT
eurjchem-2028	113	321	c9	c9	NOUN
eurjchem-2028	113	322	-	-	PUNCT
eurjchem-2028	113	323	o4	o4	PROPN
eurjchem-2028	113	324	c1	c1	NOUN
eurjchem-2028	113	325	-	-	PUNCT
eurjchem-2028	113	326	c9	c9	NOUN
eurjchem-2028	113	327	-	-	PUNCT
eurjchem-2028	113	328	o4	o4	PROPN
eurjchem-2028	113	329	115.0(3	115.0(3	NUM
eurjchem-2028	113	330	)	)	PUNCT
eurjchem-2028	113	331	125.3(3	125.3(3	NUM
eurjchem-2028	113	332	)	)	PUNCT
eurjchem-2028	113	333	109.2	109.2	NUM
eurjchem-2028	113	334	111.9	111.9	NUM
eurjchem-2028	113	335	109.4	109.4	NUM
eurjchem-2028	113	336	111.5	111.5	NUM
eurjchem-2028	113	337	c10	c10	VERB
eurjchem-2028	113	338	-	-	PUNCT
eurjchem-2028	113	339	c17	c17	NOUN
eurjchem-2028	113	340	-	-	PUNCT
eurjchem-2028	113	341	c18	c18	NOUN
eurjchem-2028	113	342	c7	c7	PROPN
eurjchem-2028	113	343	-	-	PUNCT
eurjchem-2028	113	344	c8	c8	PROPN
eurjchem-2028	113	345	-	-	PUNCT
eurjchem-2028	113	346	c9	c9	NOUN
eurjchem-2028	113	347	115.1(3	115.1(3	NUM
eurjchem-2028	113	348	)	)	PUNCT
eurjchem-2028	113	349	123.6(3	123.6(3	NUM
eurjchem-2028	113	350	)	)	PUNCT
eurjchem-2028	113	351	117.3	117.3	NUM
eurjchem-2028	113	352	121.8	121.8	NUM
eurjchem-2028	113	353	118.8	118.8	NUM
eurjchem-2028	113	354	121.4	121.4	NUM
eurjchem-2028	113	355	c11	c11	NOUN
eurjchem-2028	113	356	-	-	PUNCT
eurjchem-2028	113	357	c10	c10	VERB
eurjchem-2028	113	358	-	-	PUNCT
eurjchem-2028	113	359	c17	c17	NOUN
eurjchem-2028	113	360	121.3(3	121.3(3	NUM
eurjchem-2028	113	361	)	)	PUNCT
eurjchem-2028	113	362	108.2	108.2	NUM
eurjchem-2028	113	363	109.1	109.1	NUM
eurjchem-2028	113	364	c27	c27	NOUN
eurjchem-2028	113	365	-	-	PUNCT
eurjchem-2028	113	366	c28	c28	NOUN
eurjchem-2028	113	367	-	-	PUNCT
eurjchem-2028	113	368	c29	c29	NOUN
eurjchem-2028	113	369	128.9(4	128.9(4	NOUN
eurjchem-2028	113	370	)	)	PUNCT
eurjchem-2028	113	371	130.5	130.5	NUM
eurjchem-2028	113	372	130.0	130.0	NUM
eurjchem-2028	113	373	o2	o2	PROPN
eurjchem-2028	113	374	-	-	PUNCT
eurjchem-2028	113	375	c3	c3	NOUN
eurjchem-2028	113	376	-	-	PUNCT
eurjchem-2028	113	377	c4	c4	NOUN
eurjchem-2028	113	378	116.1(3	116.1(3	NUM
eurjchem-2028	113	379	)	)	PUNCT
eurjchem-2028	113	380	116.5	116.5	NUM
eurjchem-2028	113	381	116.2	116.2	NUM
eurjchem-2028	113	382	o6	o6	NOUN
eurjchem-2028	113	383	-	-	PUNCT
eurjchem-2028	113	384	c25	c25	NOUN
eurjchem-2028	113	385	-	-	PUNCT
eurjchem-2028	113	386	c24	c24	NOUN
eurjchem-2028	113	387	115.8(3	115.8(3	NUM
eurjchem-2028	113	388	)	)	PUNCT
eurjchem-2028	113	389	118.1	118.1	NUM
eurjchem-2028	113	390	117.7	117.7	NUM
eurjchem-2028	113	391	s1	s1	NOUN
eurjchem-2028	113	392	-	-	PUNCT
eurjchem-2028	113	393	c30	c30	NOUN
eurjchem-2028	113	394	-	-	PUNCT
eurjchem-2028	113	395	n4	n4	PROPN
eurjchem-2028	113	396	124.6(3	124.6(3	PROPN
eurjchem-2028	113	397	)	)	PUNCT
eurjchem-2028	113	398	128.3	128.3	NUM
eurjchem-2028	113	399	129.0	129.0	NUM
eurjchem-2028	113	400	n1	n1	PROPN
eurjchem-2028	113	401	-	-	PUNCT
eurjchem-2028	113	402	c30	c30	NOUN
eurjchem-2028	113	403	-	-	PUNCT
eurjchem-2028	113	404	n4	n4	PROPN
eurjchem-2028	113	405	125.3(4	125.3(4	NOUN
eurjchem-2028	113	406	)	)	PUNCT
eurjchem-2028	113	407	124.6	124.6	NUM
eurjchem-2028	113	408	124.6	124.6	NUM
eurjchem-2028	113	409	table	table	NOUN
eurjchem-2028	113	410	3	3	NUM
eurjchem-2028	113	411	.	.	PUNCT
eurjchem-2028	113	412	hydrogen	hydrogen	NOUN
eurjchem-2028	113	413	bonding	bonding	NOUN
eurjchem-2028	113	414	geometry	geometry	NOUN
eurjchem-2028	113	415	(	(	PUNCT
eurjchem-2028	113	416	e.s.d	e.s.d	ADP
eurjchem-2028	113	417	’s	’s	NOUN
eurjchem-2028	113	418	in	in	ADP
eurjchem-2028	113	419	parentheses	parenthesis	NOUN
eurjchem-2028	113	420	)	)	PUNCT
eurjchem-2028	113	421	.	.	PUNCT
eurjchem-2028	114	1	d	d	X
eurjchem-2028	114	2	–	–	PUNCT
eurjchem-2028	114	3	h	h	NOUN
eurjchem-2028	114	4	...	...	PUNCT
eurjchem-2028	114	5	a	a	DET
eurjchem-2028	114	6	d	d	NOUN
eurjchem-2028	114	7	–	–	PUNCT
eurjchem-2028	114	8	h	h	NOUN
eurjchem-2028	114	9	(	(	PUNCT
eurjchem-2028	114	10	å	å	NOUN
eurjchem-2028	114	11	)	)	PUNCT
eurjchem-2028	114	12	h	h	NOUN
eurjchem-2028	114	13	...	...	PUNCT
eurjchem-2028	114	14	a	a	DET
eurjchem-2028	114	15	(	(	PUNCT
eurjchem-2028	114	16	å	å	NOUN
eurjchem-2028	114	17	)	)	PUNCT
eurjchem-2028	114	18	d	d	NOUN
eurjchem-2028	114	19	...	...	PUNCT
eurjchem-2028	114	20	a	a	DET
eurjchem-2028	114	21	(	(	PUNCT
eurjchem-2028	114	22	å	å	NOUN
eurjchem-2028	114	23	)	)	PUNCT
eurjchem-2028	114	24	∠	∠	NOUN
eurjchem-2028	114	25	d	d	PROPN
eurjchem-2028	114	26	–	–	PUNCT
eurjchem-2028	114	27	h	h	NOUN
eurjchem-2028	114	28	...	...	PUNCT
eurjchem-2028	114	29	a	a	DET
eurjchem-2028	114	30	(	(	PUNCT
eurjchem-2028	114	31	°	°	NOUN
eurjchem-2028	114	32	)	)	PUNCT
eurjchem-2028	114	33	o4	o4	PROPN
eurjchem-2028	114	34	-	-	PUNCT
eurjchem-2028	114	35	h4c···o3	h4c···o3	PROPN
eurjchem-2028	114	36	0.82	0.82	NUM
eurjchem-2028	114	37	1.67	1.67	NUM
eurjchem-2028	114	38	2.462(3	2.462(3	NUM
eurjchem-2028	114	39	)	)	PUNCT
eurjchem-2028	114	40	162	162	NUM
eurjchem-2028	114	41	c17	c17	NOUN
eurjchem-2028	114	42	-	-	PUNCT
eurjchem-2028	114	43	h17···o1	h17···o1	PROPN
eurjchem-2028	114	44	0.98	0.98	NUM
eurjchem-2028	114	45	2.33	2.33	NUM
eurjchem-2028	114	46	2.871(4	2.871(4	NUM
eurjchem-2028	114	47	)	)	PUNCT
eurjchem-2028	114	48	114	114	NUM
eurjchem-2028	114	49	c17	c17	NOUN
eurjchem-2028	114	50	-	-	PUNCT
eurjchem-2028	114	51	h17···o5	h17···o5	PROPN
eurjchem-2028	114	52	0.98	0.98	NUM
eurjchem-2028	114	53	2.33	2.33	NUM
eurjchem-2028	114	54	2.826(4	2.826(4	NUM
eurjchem-2028	114	55	)	)	PUNCT
eurjchem-2028	114	56	110	110	NUM
eurjchem-2028	114	57	n1	n1	NOUN
eurjchem-2028	114	58	-	-	SYM
eurjchem-2028	114	59	h1···o1	h1···o1	NOUN
eurjchem-2028	114	60	i	i	NOUN
eurjchem-2028	114	61	0.86	0.86	NUM
eurjchem-2028	114	62	2.27	2.27	NUM
eurjchem-2028	114	63	2.966(4	2.966(4	NUM
eurjchem-2028	114	64	)	)	PUNCT
eurjchem-2028	114	65	138	138	NUM
eurjchem-2028	114	66	n1	n1	NOUN
eurjchem-2028	114	67	-	-	PUNCT
eurjchem-2028	114	68	h1···o5	h1···o5	NOUN
eurjchem-2028	115	1	i	i	NOUN
eurjchem-2028	115	2	0.86	0.86	NUM
eurjchem-2028	115	3	2.12	2.12	NUM
eurjchem-2028	115	4	2.724(5	2.724(5	NUM
eurjchem-2028	115	5	)	)	PUNCT
eurjchem-2028	115	6	127	127	NUM
eurjchem-2028	115	7	n4	n4	PROPN
eurjchem-2028	115	8	-	-	PUNCT
eurjchem-2028	115	9	h4a···o1	h4a···o1	PROPN
eurjchem-2028	115	10	i	i	NOUN
eurjchem-2028	115	11	0.83(5	0.83(5	NOUN
eurjchem-2028	115	12	)	)	PUNCT
eurjchem-2028	115	13	2.21(4	2.21(4	NUM
eurjchem-2028	115	14	)	)	PUNCT
eurjchem-2028	115	15	2.956(4	2.956(4	NUM
eurjchem-2028	115	16	)	)	PUNCT
eurjchem-2028	115	17	150(4	150(4	NUM
eurjchem-2028	115	18	)	)	PUNCT
eurjchem-2028	115	19	c23	c23	PROPN
eurjchem-2028	115	20	-	-	PUNCT
eurjchem-2028	115	21	h23···n2	h23···n2	PROPN
eurjchem-2028	115	22	ii	ii	PROPN
eurjchem-2028	115	23	0.93	0.93	NUM
eurjchem-2028	115	24	2.58	2.58	NUM
eurjchem-2028	115	25	3.468(5	3.468(5	NUM
eurjchem-2028	115	26	)	)	PUNCT
eurjchem-2028	115	27	160	160	NUM
eurjchem-2028	115	28	o3	o3	PROPN
eurjchem-2028	115	29	-	-	PUNCT
eurjchem-2028	115	30	h3a	h3a	NOUN
eurjchem-2028	115	31	…	…	PROPN
eurjchem-2028	115	32	n4	n4	PROPN
eurjchem-2028	115	33	iii	iii	PROPN
eurjchem-2028	116	1	0.82	0.82	NUM
eurjchem-2028	116	2	2.26	2.26	NUM
eurjchem-2028	116	3	2.839(4	2.839(4	NUM
eurjchem-2028	116	4	)	)	PUNCT
eurjchem-2028	116	5	128	128	NUM
eurjchem-2028	116	6	symmetry	symmetry	NOUN
eurjchem-2028	116	7	code	code	NOUN
eurjchem-2028	116	8	:	:	PUNCT
eurjchem-2028	116	9	(	(	PUNCT
eurjchem-2028	116	10	i	i	NOUN
eurjchem-2028	116	11	)	)	PUNCT
eurjchem-2028	116	12	1/2	1/2	NUM
eurjchem-2028	117	1	+	+	CCONJ
eurjchem-2028	117	2	x	x	PROPN
eurjchem-2028	117	3	,	,	PUNCT
eurjchem-2028	117	4	1/2	1/2	NUM
eurjchem-2028	117	5	y	y	PROPN
eurjchem-2028	117	6	,	,	PUNCT
eurjchem-2028	117	7	-1/2	-1/2	PROPN
eurjchem-2028	118	1	+	+	NOUN
eurjchem-2028	118	2	z	z	NOUN
eurjchem-2028	118	3	(	(	PUNCT
eurjchem-2028	118	4	ii	ii	NOUN
eurjchem-2028	118	5	)	)	PUNCT
eurjchem-2028	118	6	x	x	NOUN
eurjchem-2028	118	7	,	,	PUNCT
eurjchem-2028	118	8	-y	-y	PROPN
eurjchem-2028	118	9	,	,	PUNCT
eurjchem-2028	118	10	-1/2	-1/2	PROPN
eurjchem-2028	118	11	+	+	NUM
eurjchem-2028	118	12	z.	z.	PROPN
eurjchem-2028	118	13	(	(	PUNCT
eurjchem-2028	118	14	iii	iii	PROPN
eurjchem-2028	118	15	)	)	PUNCT
eurjchem-2028	118	16	x	x	NOUN
eurjchem-2028	118	17	,	,	PUNCT
eurjchem-2028	118	18	y	y	PROPN
eurjchem-2028	118	19	,	,	PUNCT
eurjchem-2028	118	20	z.	z.	PROPN
eurjchem-2028	118	21	figure	figure	NOUN
eurjchem-2028	119	1	2	2	NUM
eurjchem-2028	119	2	.	.	PUNCT
eurjchem-2028	119	3	packing	packing	NOUN
eurjchem-2028	119	4	of	of	ADP
eurjchem-2028	119	5	the	the	DET
eurjchem-2028	119	6	molecules	molecule	NOUN
eurjchem-2028	119	7	viewed	view	VERB
eurjchem-2028	119	8	down	down	ADP
eurjchem-2028	119	9	the	the	DET
eurjchem-2028	119	10	c	c	NOUN
eurjchem-2028	119	11	-	-	PUNCT
eurjchem-2028	119	12	axis	axis	NOUN
eurjchem-2028	119	13	.	.	PUNCT
eurjchem-2028	120	1	the	the	DET
eurjchem-2028	120	2	molecular	molecular	ADJ
eurjchem-2028	120	3	packing	packing	NOUN
eurjchem-2028	120	4	in	in	ADP
eurjchem-2028	120	5	the	the	DET
eurjchem-2028	120	6	unit	unit	NOUN
eurjchem-2028	120	7	cell	cell	NOUN
eurjchem-2028	120	8	as	as	SCONJ
eurjchem-2028	120	9	viewed	view	VERB
eurjchem-2028	120	10	down	down	ADP
eurjchem-2028	120	11	the	the	DET
eurjchem-2028	120	12	c	c	NOUN
eurjchem-2028	120	13	-	-	PUNCT
eurjchem-2028	120	14	axis	axis	NOUN
eurjchem-2028	120	15	is	be	AUX
eurjchem-2028	120	16	shown	show	VERB
eurjchem-2028	120	17	in	in	ADP
eurjchem-2028	120	18	figure	figure	NOUN
eurjchem-2028	120	19	2	2	NUM
eurjchem-2028	120	20	[	[	X
eurjchem-2028	120	21	36	36	NUM
eurjchem-2028	120	22	]	]	PUNCT
eurjchem-2028	120	23	and	and	CCONJ
eurjchem-2028	120	24	the	the	DET
eurjchem-2028	120	25	geometry	geometry	NOUN
eurjchem-2028	120	26	of	of	ADP
eurjchem-2028	120	27	intraand	intraand	NOUN
eurjchem-2028	120	28	inter	inter	ADJ
eurjchem-2028	120	29	-	-	ADJ
eurjchem-2028	120	30	molecular	molecular	ADJ
eurjchem-2028	120	31	hydrogen	hydrogen	NOUN
eurjchem-2028	120	32	bonds	bond	NOUN
eurjchem-2028	120	33	is	be	AUX
eurjchem-2028	120	34	given	give	VERB
eurjchem-2028	120	35	in	in	ADP
eurjchem-2028	120	36	table	table	NOUN
eurjchem-2028	120	37	3	3	NUM
eurjchem-2028	120	38	.	.	NOUN
eurjchem-2028	120	39	3.2	3.2	NUM
eurjchem-2028	120	40	.	.	PUNCT
eurjchem-2028	121	1	theoretical	theoretical	ADJ
eurjchem-2028	121	2	calculation	calculation	NOUN
eurjchem-2028	121	3	3.2.1	3.2.1	NUM
eurjchem-2028	121	4	.	.	PUNCT
eurjchem-2028	122	1	molecular	molecular	ADJ
eurjchem-2028	122	2	geometry	geometry	NOUN
eurjchem-2028	122	3	the	the	DET
eurjchem-2028	122	4	optimized	optimize	VERB
eurjchem-2028	122	5	structure	structure	NOUN
eurjchem-2028	122	6	of	of	ADP
eurjchem-2028	122	7	3,3'-[(3	3,3'-[(3	NUM
eurjchem-2028	122	8	-	-	PUNCT
eurjchem-2028	122	9	benzimidazolyl	benzimidazolyl	ADJ
eurjchem-2028	122	10	)	)	PUNCT
eurjchem-2028	122	11	methylene]bis(4	methylene]bis(4	PROPN
eurjchem-2028	122	12	-	-	PUNCT
eurjchem-2028	122	13	hydroxy-2h-1	hydroxy-2h-1	NOUN
eurjchem-2028	122	14	-	-	PUNCT
eurjchem-2028	122	15	benzopyran-2	benzopyran-2	NOUN
eurjchem-2028	122	16	-	-	PUNCT
eurjchem-2028	122	17	one):5	one):5	ADP
eurjchem-2028	122	18	-	-	PUNCT
eurjchem-2028	122	19	methyl1,3	methyl1,3	NOUN
eurjchem-2028	122	20	-	-	PUNCT
eurjchem-2028	122	21	thiazol-2(3h)-imine	thiazol-2(3h)-imine	NOUN
eurjchem-2028	122	22	is	be	AUX
eurjchem-2028	122	23	shown	show	VERB
eurjchem-2028	122	24	in	in	ADP
eurjchem-2028	122	25	figure	figure	NOUN
eurjchem-2028	122	26	3	3	NUM
eurjchem-2028	122	27	.	.	PUNCT
eurjchem-2028	123	1	the	the	DET
eurjchem-2028	123	2	optimized	optimize	VERB
eurjchem-2028	123	3	geometrical	geometrical	ADJ
eurjchem-2028	123	4	parameters	parameter	NOUN
eurjchem-2028	123	5	(	(	PUNCT
eurjchem-2028	123	6	bond	bond	NOUN
eurjchem-2028	123	7	lengths	length	NOUN
eurjchem-2028	123	8	and	and	CCONJ
eurjchem-2028	123	9	bond	bond	NOUN
eurjchem-2028	123	10	angles	angle	NOUN
eurjchem-2028	123	11	)	)	PUNCT
eurjchem-2028	123	12	calculated	calculate	VERB
eurjchem-2028	123	13	with	with	ADP
eurjchem-2028	123	14	hf	hf	NOUN
eurjchem-2028	123	15	and	and	CCONJ
eurjchem-2028	123	16	dft	dft	PROPN
eurjchem-2028	123	17	methods	method	NOUN
eurjchem-2028	123	18	using	use	VERB
eurjchem-2028	123	19	6	6	NUM
eurjchem-2028	123	20	-	-	SYM
eurjchem-2028	123	21	311	311	NUM
eurjchem-2028	123	22	g	g	NOUN
eurjchem-2028	123	23	basis	basis	NOUN
eurjchem-2028	123	24	set	set	NOUN
eurjchem-2028	123	25	have	have	AUX
eurjchem-2028	123	26	been	be	AUX
eurjchem-2028	123	27	compared	compare	VERB
eurjchem-2028	123	28	with	with	ADP
eurjchem-2028	123	29	the	the	DET
eurjchem-2028	123	30	corresponding	correspond	VERB
eurjchem-2028	123	31	ones	one	NOUN
eurjchem-2028	123	32	as	as	SCONJ
eurjchem-2028	123	33	obtained	obtain	VERB
eurjchem-2028	123	34	by	by	ADP
eurjchem-2028	123	35	x	x	ADJ
eurjchem-2028	123	36	-	-	NOUN
eurjchem-2028	123	37	ray	ray	NOUN
eurjchem-2028	123	38	diffraction	diffraction	NOUN
eurjchem-2028	123	39	method	method	NOUN
eurjchem-2028	123	40	and	and	CCONJ
eurjchem-2028	123	41	are	be	AUX
eurjchem-2028	123	42	presented	present	VERB
eurjchem-2028	123	43	in	in	ADP
eurjchem-2028	123	44	table	table	NOUN
eurjchem-2028	123	45	2	2	NUM
eurjchem-2028	123	46	.	.	PUNCT
eurjchem-2028	123	47	3.2.2	3.2.2	NUM
eurjchem-2028	123	48	.	.	PUNCT
eurjchem-2028	124	1	molecular	molecular	ADJ
eurjchem-2028	124	2	electrostatic	electrostatic	ADJ
eurjchem-2028	124	3	potential	potential	NOUN
eurjchem-2028	124	4	(	(	PUNCT
eurjchem-2028	124	5	mep	mep	PROPN
eurjchem-2028	124	6	)	)	PUNCT
eurjchem-2028	124	7	the	the	DET
eurjchem-2028	124	8	molecular	molecular	ADJ
eurjchem-2028	124	9	electrostatic	electrostatic	ADJ
eurjchem-2028	124	10	potential	potential	NOUN
eurjchem-2028	124	11	is	be	AUX
eurjchem-2028	124	12	a	a	DET
eurjchem-2028	124	13	physically	physically	ADV
eurjchem-2028	124	14	observable	observable	ADJ
eurjchem-2028	124	15	property	property	NOUN
eurjchem-2028	124	16	that	that	PRON
eurjchem-2028	124	17	can	can	AUX
eurjchem-2028	124	18	be	be	AUX
eurjchem-2028	124	19	measured	measure	VERB
eurjchem-2028	124	20	experimentally	experimentally	ADV
eurjchem-2028	124	21	by	by	ADP
eurjchem-2028	124	22	diffraction	diffraction	NOUN
eurjchem-2028	124	23	approaches	approach	NOUN
eurjchem-2028	124	24	[	[	X
eurjchem-2028	124	25	40,41	40,41	NOUN
eurjchem-2028	124	26	]	]	PUNCT
eurjchem-2028	124	27	.	.	PUNCT
eurjchem-2028	125	1	it	it	PRON
eurjchem-2028	125	2	is	be	AUX
eurjchem-2028	125	3	also	also	ADV
eurjchem-2028	125	4	used	use	VERB
eurjchem-2028	125	5	to	to	PART
eurjchem-2028	125	6	illustrate	illustrate	VERB
eurjchem-2028	125	7	the	the	DET
eurjchem-2028	125	8	wide	wide	ADV
eurjchem-2028	125	9	-	-	PUNCT
eurjchem-2028	125	10	ranging	range	VERB
eurjchem-2028	125	11	electronic	electronic	ADJ
eurjchem-2028	125	12	and	and	CCONJ
eurjchem-2028	125	13	nuclear	nuclear	ADJ
eurjchem-2028	125	14	charge	charge	NOUN
eurjchem-2028	125	15	distribution	distribution	NOUN
eurjchem-2028	125	16	,	,	PUNCT
eurjchem-2028	125	17	which	which	PRON
eurjchem-2028	125	18	is	be	AUX
eurjchem-2028	125	19	an	an	DET
eurjchem-2028	125	20	appropriate	appropriate	ADJ
eurjchem-2028	125	21	feature	feature	NOUN
eurjchem-2028	125	22	for	for	ADP
eurjchem-2028	125	23	understanding	understand	VERB
eurjchem-2028	125	24	the	the	DET
eurjchem-2028	125	25	reactivity	reactivity	NOUN
eurjchem-2028	125	26	of	of	ADP
eurjchem-2028	125	27	various	various	ADJ
eurjchem-2028	125	28	species	specie	NOUN
eurjchem-2028	125	29	[	[	X
eurjchem-2028	125	30	42	42	NUM
eurjchem-2028	125	31	]	]	PUNCT
eurjchem-2028	125	32	.	.	PUNCT
eurjchem-2028	126	1	the	the	DET
eurjchem-2028	126	2	potential	potential	ADJ
eurjchem-2028	126	3	,	,	PUNCT
eurjchem-2028	126	4	v(r	v(r	PROPN
eurjchem-2028	126	5	)	)	PUNCT
eurjchem-2028	126	6	,	,	PUNCT
eurjchem-2028	126	7	is	be	AUX
eurjchem-2028	126	8	typically	typically	ADV
eurjchem-2028	126	9	written	write	VERB
eurjchem-2028	126	10	in	in	ADP
eurjchem-2028	126	11	terms	term	NOUN
eurjchem-2028	126	12	of	of	ADP
eurjchem-2028	126	13	atomic	atomic	ADJ
eurjchem-2028	126	14	units	unit	NOUN
eurjchem-2028	126	15	(	(	PUNCT
eurjchem-2028	126	16	a.u	a.u	NOUN
eurjchem-2028	126	17	)	)	PUNCT
eurjchem-2028	126	18	and	and	CCONJ
eurjchem-2028	126	19	has	have	VERB
eurjchem-2028	126	20	the	the	DET
eurjchem-2028	126	21	following	follow	VERB
eurjchem-2028	126	22	form	form	NOUN
eurjchem-2028	126	23	[	[	X
eurjchem-2028	126	24	43	43	NUM
eurjchem-2028	126	25	]	]	PUNCT
eurjchem-2028	126	26	.	.	PUNCT
eurjchem-2028	127	1	328	328	NUM
eurjchem-2028	127	2	sharm	sharm	PROPN
eurjchem-2028	127	3	et	et	PROPN
eurjchem-2028	127	4	al	al	PROPN
eurjchem-2028	127	5	.	.	PUNCT
eurjchem-2028	127	6	/	/	SYM
eurjchem-2028	127	7	european	european	PROPN
eurjchem-2028	127	8	journal	journal	PROPN
eurjchem-2028	127	9	of	of	ADP
eurjchem-2028	127	10	chemistry	chemistry	NOUN
eurjchem-2028	127	11	11	11	NUM
eurjchem-2028	127	12	(	(	PUNCT
eurjchem-2028	127	13	4	4	NUM
eurjchem-2028	127	14	)	)	PUNCT
eurjchem-2028	127	15	(	(	PUNCT
eurjchem-2028	127	16	2020	2020	NUM
eurjchem-2028	127	17	)	)	PUNCT
eurjchem-2028	127	18	324	324	NUM
eurjchem-2028	127	19	-	-	SYM
eurjchem-2028	127	20	333	333	NUM
eurjchem-2028	127	21	2020	2020	NUM
eurjchem-2028	127	22	–	–	PUNCT
eurjchem-2028	127	23	european	european	ADJ
eurjchem-2028	127	24	journal	journal	NOUN
eurjchem-2028	127	25	of	of	ADP
eurjchem-2028	127	26	chemistry	chemistry	NOUN
eurjchem-2028	127	27	–	–	PUNCT
eurjchem-2028	127	28	cc	cc	NOUN
eurjchem-2028	127	29	by	by	ADP
eurjchem-2028	127	30	nc	nc	PROPN
eurjchem-2028	127	31	–	–	PUNCT
eurjchem-2028	127	32	doi	doi	NOUN
eurjchem-2028	127	33	:	:	PUNCT
eurjchem-2028	127	34	10.5155	10.5155	NUM
eurjchem-2028	127	35	/	/	SYM
eurjchem-2028	127	36	eurjchem.11.4.324	eurjchem.11.4.324	NUM
eurjchem-2028	127	37	-	-	PUNCT
eurjchem-2028	127	38	333.2028	333.2028	NUM
eurjchem-2028	127	39	figure	figure	NOUN
eurjchem-2028	127	40	3	3	NUM
eurjchem-2028	127	41	.	.	PUNCT
eurjchem-2028	127	42	optimized	optimize	VERB
eurjchem-2028	127	43	structure	structure	NOUN
eurjchem-2028	127	44	of	of	ADP
eurjchem-2028	127	45	3,3'-[(3	3,3'-[(3	NUM
eurjchem-2028	127	46	-	-	PUNCT
eurjchem-2028	127	47	benzimidazolyl)methylene]bis(4	benzimidazolyl)methylene]bis(4	NOUN
eurjchem-2028	127	48	-	-	PUNCT
eurjchem-2028	127	49	hydroxy-2h-1	hydroxy-2h-1	NOUN
eurjchem-2028	127	50	-	-	PUNCT
eurjchem-2028	127	51	benzopyran-2	benzopyran-2	NOUN
eurjchem-2028	127	52	-	-	PUNCT
eurjchem-2028	127	53	one):5	one):5	ADP
eurjchem-2028	127	54	-	-	PUNCT
eurjchem-2028	127	55	methyl-1,3	methyl-1,3	NOUN
eurjchem-2028	127	56	-	-	PUNCT
eurjchem-2028	127	57	thiazol-2(3h)-imine	thiazol-2(3h)-imine	NOUN
eurjchem-2028	127	58	.	.	PUNCT
eurjchem-2028	128	1	figure	figure	NOUN
eurjchem-2028	128	2	4	4	NUM
eurjchem-2028	128	3	.	.	PUNCT
eurjchem-2028	129	1	molecular	molecular	ADJ
eurjchem-2028	129	2	electrostatic	electrostatic	ADJ
eurjchem-2028	129	3	potential	potential	ADJ
eurjchem-2028	129	4	map	map	NOUN
eurjchem-2028	129	5	of	of	ADP
eurjchem-2028	129	6	3,3'-[(3	3,3'-[(3	NUM
eurjchem-2028	129	7	-	-	PUNCT
eurjchem-2028	129	8	benzimidazolyl)methylene]bis(4	benzimidazolyl)methylene]bis(4	NOUN
eurjchem-2028	129	9	-	-	PUNCT
eurjchem-2028	129	10	hydroxy-2h-1	hydroxy-2h-1	NOUN
eurjchem-2028	129	11	-	-	PUNCT
eurjchem-2028	129	12	benzopyran-2	benzopyran-2	NOUN
eurjchem-2028	129	13	-	-	PUNCT
eurjchem-2028	129	14	one):5	one):5	ADP
eurjchem-2028	129	15	-	-	PUNCT
eurjchem-2028	129	16	methyl-1,3	methyl-1,3	NOUN
eurjchem-2028	129	17	-	-	PUNCT
eurjchem-2028	129	18	thiazol-2(3h)imine	thiazol-2(3h)imine	NOUN
eurjchem-2028	129	19	.	.	PUNCT
eurjchem-2028	130	1	v(r	v(r	NOUN
eurjchem-2028	130	2	)	)	PUNCT
eurjchem-2028	131	1	=	=	PUNCT
eurjchem-2028	131	2	∑	∑	PUNCT
eurjchem-2028	131	3	za	za	PROPN
eurjchem-2028	131	4	|ra−r|a	|ra−r|a	PROPN
eurjchem-2028	131	5	−	−	PROPN
eurjchem-2028	131	6	∫	∫	PROPN
eurjchem-2028	131	7	ρ	ρ	PROPN
eurjchem-2028	131	8	�	�	PROPN
eurjchem-2028	131	9	r′	r′	PROPN
eurjchem-2028	131	10	�	�	PROPN
eurjchem-2028	131	11	|r′−r|	|r′−r|	PRON
eurjchem-2028	131	12	d3r′	d3r′	PROPN
eurjchem-2028	131	13	(	(	PUNCT
eurjchem-2028	131	14	1	1	NUM
eurjchem-2028	131	15	)	)	PUNCT
eurjchem-2028	131	16	where	where	SCONJ
eurjchem-2028	131	17	𝑍𝑍𝐴𝐴	𝑍𝑍𝐴𝐴	PROPN
eurjchem-2028	131	18	is	be	AUX
eurjchem-2028	131	19	the	the	DET
eurjchem-2028	131	20	charge	charge	NOUN
eurjchem-2028	131	21	of	of	ADP
eurjchem-2028	131	22	the	the	DET
eurjchem-2028	131	23	nucleus	nucleus	NOUN
eurjchem-2028	131	24	a	a	DET
eurjchem-2028	131	25	located	locate	VERB
eurjchem-2028	131	26	at	at	ADP
eurjchem-2028	131	27	𝑅𝑅𝐴𝐴	𝑅𝑅𝐴𝐴	PROPN
eurjchem-2028	131	28	,	,	PUNCT
eurjchem-2028	131	29	𝜌𝜌(𝑟𝑟	𝜌𝜌(𝑟𝑟	ADV
eurjchem-2028	131	30	’	'	PUNCT
eurjchem-2028	131	31	)	)	PUNCT
eurjchem-2028	131	32	is	be	AUX
eurjchem-2028	131	33	the	the	DET
eurjchem-2028	131	34	electronic	electronic	ADJ
eurjchem-2028	131	35	density	density	NOUN
eurjchem-2028	131	36	function	function	NOUN
eurjchem-2028	131	37	of	of	ADP
eurjchem-2028	131	38	the	the	DET
eurjchem-2028	131	39	molecule	molecule	NOUN
eurjchem-2028	131	40	,	,	PUNCT
eurjchem-2028	131	41	and	and	CCONJ
eurjchem-2028	131	42	𝑟𝑟	𝑟𝑟	CCONJ
eurjchem-2028	131	43	’	'	PUNCT
eurjchem-2028	131	44	is	be	AUX
eurjchem-2028	131	45	the	the	DET
eurjchem-2028	131	46	dummy	dummy	ADJ
eurjchem-2028	131	47	integration	integration	NOUN
eurjchem-2028	131	48	variable	variable	NOUN
eurjchem-2028	131	49	.	.	PUNCT
eurjchem-2028	132	1	mep	mep	PROPN
eurjchem-2028	132	2	has	have	AUX
eurjchem-2028	132	3	been	be	AUX
eurjchem-2028	132	4	constructed	construct	VERB
eurjchem-2028	132	5	using	use	VERB
eurjchem-2028	132	6	dft/6	dft/6	PROPN
eurjchem-2028	132	7	-	-	PUNCT
eurjchem-2028	132	8	311	311	NUM
eurjchem-2028	132	9	g	g	NOUN
eurjchem-2028	132	10	level	level	NOUN
eurjchem-2028	132	11	of	of	ADP
eurjchem-2028	132	12	theory	theory	NOUN
eurjchem-2028	132	13	for	for	ADP
eurjchem-2028	132	14	3	3	NUM
eurjchem-2028	132	15	,	,	PUNCT
eurjchem-2028	132	16	3'-[(3	3'-[(3	NUM
eurjchem-2028	132	17	-	-	SYM
eurjchem-2028	132	18	benzimidazolyl)methylene	benzimidazolyl)methylene	NOUN
eurjchem-2028	132	19	]	]	PUNCT
eurjchem-2028	132	20	bis(4	bis(4	NOUN
eurjchem-2028	132	21	-	-	PUNCT
eurjchem-2028	132	22	hydroxy2h-1	hydroxy2h-1	PROPN
eurjchem-2028	132	23	-	-	PUNCT
eurjchem-2028	132	24	benzopyran-2	benzopyran-2	NOUN
eurjchem-2028	132	25	-	-	PUNCT
eurjchem-2028	132	26	one	one	NUM
eurjchem-2028	132	27	):	):	PUNCT
eurjchem-2028	132	28	5	5	NUM
eurjchem-2028	132	29	-	-	SYM
eurjchem-2028	132	30	methyl-1	methyl-1	NUM
eurjchem-2028	132	31	,	,	PUNCT
eurjchem-2028	132	32	3	3	NUM
eurjchem-2028	132	33	-	-	PUNCT
eurjchem-2028	132	34	thiazol-2(3h)-imine	thiazol-2(3h)-imine	NOUN
eurjchem-2028	132	35	and	and	CCONJ
eurjchem-2028	132	36	is	be	AUX
eurjchem-2028	132	37	shown	show	VERB
eurjchem-2028	132	38	in	in	ADP
eurjchem-2028	132	39	figure	figure	NOUN
eurjchem-2028	132	40	4	4	NUM
eurjchem-2028	132	41	.	.	PUNCT
eurjchem-2028	133	1	in	in	ADP
eurjchem-2028	133	2	the	the	DET
eurjchem-2028	133	3	color	color	NOUN
eurjchem-2028	133	4	scheme	scheme	NOUN
eurjchem-2028	133	5	of	of	ADP
eurjchem-2028	133	6	meps	mep	NOUN
eurjchem-2028	133	7	,	,	PUNCT
eurjchem-2028	133	8	red	red	NOUN
eurjchem-2028	133	9	represents	represent	VERB
eurjchem-2028	133	10	the	the	DET
eurjchem-2028	133	11	electron	electron	NOUN
eurjchem-2028	133	12	rich	rich	ADJ
eurjchem-2028	133	13	,	,	PUNCT
eurjchem-2028	133	14	partially	partially	ADV
eurjchem-2028	133	15	negative	negative	ADJ
eurjchem-2028	133	16	charge	charge	NOUN
eurjchem-2028	133	17	which	which	PRON
eurjchem-2028	133	18	is	be	AUX
eurjchem-2028	133	19	the	the	DET
eurjchem-2028	133	20	preferred	preferred	ADJ
eurjchem-2028	133	21	site	site	NOUN
eurjchem-2028	133	22	for	for	ADP
eurjchem-2028	133	23	electrophilic	electrophilic	ADJ
eurjchem-2028	133	24	attack	attack	NOUN
eurjchem-2028	133	25	,	,	PUNCT
eurjchem-2028	133	26	blue	blue	ADJ
eurjchem-2028	133	27	corresponds	correspond	NOUN
eurjchem-2028	133	28	to	to	PART
eurjchem-2028	133	29	electron	electron	NOUN
eurjchem-2028	133	30	deficient	deficient	ADJ
eurjchem-2028	133	31	,	,	PUNCT
eurjchem-2028	133	32	partially	partially	ADV
eurjchem-2028	133	33	positive	positive	ADJ
eurjchem-2028	133	34	charge	charge	NOUN
eurjchem-2028	133	35	which	which	PRON
eurjchem-2028	133	36	is	be	AUX
eurjchem-2028	133	37	the	the	DET
eurjchem-2028	133	38	preferred	preferred	ADJ
eurjchem-2028	133	39	site	site	NOUN
eurjchem-2028	133	40	for	for	ADP
eurjchem-2028	133	41	nucleophilic	nucleophilic	ADJ
eurjchem-2028	133	42	attack	attack	NOUN
eurjchem-2028	133	43	,	,	PUNCT
eurjchem-2028	133	44	yellow	yellow	ADJ
eurjchem-2028	133	45	for	for	ADP
eurjchem-2028	133	46	slightly	slightly	ADV
eurjchem-2028	133	47	electron	electron	NOUN
eurjchem-2028	133	48	rich	rich	ADJ
eurjchem-2028	133	49	region	region	NOUN
eurjchem-2028	133	50	;	;	PUNCT
eurjchem-2028	133	51	green	green	ADJ
eurjchem-2028	133	52	for	for	ADP
eurjchem-2028	133	53	neutral	neutral	ADJ
eurjchem-2028	133	54	respectively	respectively	ADV
eurjchem-2028	133	55	.	.	PUNCT
eurjchem-2028	134	1	the	the	DET
eurjchem-2028	134	2	color	color	NOUN
eurjchem-2028	134	3	code	code	NOUN
eurjchem-2028	134	4	of	of	ADP
eurjchem-2028	134	5	3,3'-[(3	3,3'-[(3	NUM
eurjchem-2028	134	6	-	-	PUNCT
eurjchem-2028	134	7	benzimidazolyl)methylene]bis(4	benzimidazolyl)methylene]bis(4	NOUN
eurjchem-2028	134	8	-	-	PUNCT
eurjchem-2028	134	9	hydroxy-2h1	hydroxy-2h1	NOUN
eurjchem-2028	134	10	-	-	PUNCT
eurjchem-2028	134	11	benzopyran-2	benzopyran-2	NOUN
eurjchem-2028	134	12	-	-	NOUN
eurjchem-2028	134	13	one	one	NUM
eurjchem-2028	134	14	)	)	PUNCT
eurjchem-2028	134	15	:	:	PUNCT
eurjchem-2028	134	16	5	5	NUM
eurjchem-2028	134	17	-	-	PUNCT
eurjchem-2028	134	18	methyl-1,3	methyl-1,3	NOUN
eurjchem-2028	134	19	-	-	PUNCT
eurjchem-2028	134	20	thiazol-2(3h)-imine	thiazol-2(3h)-imine	NOUN
eurjchem-2028	134	21	is	be	AUX
eurjchem-2028	134	22	in	in	ADP
eurjchem-2028	134	23	the	the	DET
eurjchem-2028	134	24	range	range	NOUN
eurjchem-2028	134	25	between	between	ADP
eurjchem-2028	134	26	-9.703×10	-9.703×10	PROPN
eurjchem-2028	134	27	-	-	PUNCT
eurjchem-2028	134	28	2	2	NUM
eurjchem-2028	134	29	(	(	PUNCT
eurjchem-2028	134	30	deepest	deep	ADJ
eurjchem-2028	134	31	red	red	ADJ
eurjchem-2028	134	32	)	)	PUNCT
eurjchem-2028	134	33	to	to	ADP
eurjchem-2028	134	34	9.703×10	9.703×10	NUM
eurjchem-2028	134	35	-	-	SYM
eurjchem-2028	134	36	2	2	NUM
eurjchem-2028	134	37	(	(	PUNCT
eurjchem-2028	134	38	deepest	deep	ADJ
eurjchem-2028	134	39	blue	blue	ADJ
eurjchem-2028	134	40	)	)	PUNCT
eurjchem-2028	134	41	.	.	PUNCT
eurjchem-2028	135	1	it	it	PRON
eurjchem-2028	135	2	can	can	AUX
eurjchem-2028	135	3	be	be	AUX
eurjchem-2028	135	4	seen	see	VERB
eurjchem-2028	135	5	that	that	SCONJ
eurjchem-2028	135	6	the	the	DET
eurjchem-2028	135	7	negative	negative	ADJ
eurjchem-2028	135	8	regions	region	NOUN
eurjchem-2028	135	9	are	be	AUX
eurjchem-2028	135	10	mainly	mainly	ADV
eurjchem-2028	135	11	over	over	ADP
eurjchem-2028	135	12	the	the	DET
eurjchem-2028	135	13	oxygen	oxygen	NOUN
eurjchem-2028	135	14	atoms	atom	NOUN
eurjchem-2028	135	15	and	and	CCONJ
eurjchem-2028	135	16	the	the	DET
eurjchem-2028	135	17	positive	positive	ADJ
eurjchem-2028	135	18	potential	potential	ADJ
eurjchem-2028	135	19	sites	site	NOUN
eurjchem-2028	135	20	are	be	AUX
eurjchem-2028	135	21	around	around	ADP
eurjchem-2028	135	22	the	the	DET
eurjchem-2028	135	23	hydrogen	hydrogen	NOUN
eurjchem-2028	135	24	atoms	atom	NOUN
eurjchem-2028	135	25	.	.	PUNCT
eurjchem-2028	136	1	3.2.3	3.2.3	X
eurjchem-2028	136	2	.	.	X
eurjchem-2028	136	3	homo	homo	ADJ
eurjchem-2028	136	4	-	-	PUNCT
eurjchem-2028	136	5	lumo	lumo	NOUN
eurjchem-2028	136	6	analysis	analysis	NOUN
eurjchem-2028	136	7	the	the	DET
eurjchem-2028	136	8	highest	highest	ADV
eurjchem-2028	136	9	occupied	occupy	VERB
eurjchem-2028	136	10	molecular	molecular	ADJ
eurjchem-2028	136	11	orbital	orbital	ADJ
eurjchem-2028	136	12	(	(	PUNCT
eurjchem-2028	136	13	homo	homo	NOUN
eurjchem-2028	136	14	)	)	PUNCT
eurjchem-2028	136	15	and	and	CCONJ
eurjchem-2028	136	16	the	the	DET
eurjchem-2028	136	17	lowest	low	ADJ
eurjchem-2028	136	18	unoccupied	unoccupied	ADJ
eurjchem-2028	136	19	molecular	molecular	ADJ
eurjchem-2028	136	20	orbital	orbital	ADJ
eurjchem-2028	136	21	(	(	PUNCT
eurjchem-2028	136	22	lumo	lumo	NOUN
eurjchem-2028	136	23	)	)	PUNCT
eurjchem-2028	136	24	are	be	AUX
eurjchem-2028	136	25	known	know	VERB
eurjchem-2028	136	26	as	as	ADP
eurjchem-2028	136	27	frontier	frontier	NOUN
eurjchem-2028	136	28	molecular	molecular	ADJ
eurjchem-2028	136	29	orbitals	orbital	NOUN
eurjchem-2028	136	30	(	(	PUNCT
eurjchem-2028	136	31	fmos	fmos	PROPN
eurjchem-2028	136	32	)	)	PUNCT
eurjchem-2028	136	33	.	.	PUNCT
eurjchem-2028	137	1	the	the	DET
eurjchem-2028	137	2	fmos	fmos	PROPN
eurjchem-2028	137	3	plays	play	VERB
eurjchem-2028	137	4	an	an	DET
eurjchem-2028	137	5	important	important	ADJ
eurjchem-2028	137	6	role	role	NOUN
eurjchem-2028	137	7	in	in	ADP
eurjchem-2028	137	8	the	the	DET
eurjchem-2028	137	9	optical	optical	ADJ
eurjchem-2028	137	10	and	and	CCONJ
eurjchem-2028	137	11	electrical	electrical	ADJ
eurjchem-2028	137	12	properties	property	NOUN
eurjchem-2028	137	13	as	as	ADV
eurjchem-2028	137	14	well	well	ADV
eurjchem-2028	137	15	as	as	ADP
eurjchem-2028	137	16	in	in	ADP
eurjchem-2028	137	17	quantum	quantum	ADJ
eurjchem-2028	137	18	chemistry	chemistry	NOUN
eurjchem-2028	137	19	[	[	X
eurjchem-2028	137	20	44	44	NUM
eurjchem-2028	137	21	]	]	PUNCT
eurjchem-2028	137	22	.	.	PUNCT
eurjchem-2028	138	1	the	the	DET
eurjchem-2028	138	2	homo	homo	NOUN
eurjchem-2028	138	3	represents	represent	VERB
eurjchem-2028	138	4	electrondonating	electrondonate	VERB
eurjchem-2028	138	5	ability	ability	NOUN
eurjchem-2028	138	6	,	,	PUNCT
eurjchem-2028	138	7	while	while	SCONJ
eurjchem-2028	138	8	lumo	lumo	NOUN
eurjchem-2028	138	9	represents	represent	VERB
eurjchem-2028	138	10	the	the	DET
eurjchem-2028	138	11	electron	electron	NOUN
eurjchem-2028	138	12	accepting	accept	VERB
eurjchem-2028	138	13	ability	ability	NOUN
eurjchem-2028	138	14	[	[	X
eurjchem-2028	138	15	45	45	NUM
eurjchem-2028	138	16	]	]	PUNCT
eurjchem-2028	138	17	.	.	PUNCT
eurjchem-2028	139	1	the	the	DET
eurjchem-2028	139	2	pictorial	pictorial	ADJ
eurjchem-2028	139	3	representation	representation	NOUN
eurjchem-2028	139	4	of	of	ADP
eurjchem-2028	139	5	the	the	DET
eurjchem-2028	139	6	energies	energy	NOUN
eurjchem-2028	139	7	of	of	ADP
eurjchem-2028	139	8	molecular	molecular	ADJ
eurjchem-2028	139	9	orbitals	orbital	NOUN
eurjchem-2028	139	10	is	be	AUX
eurjchem-2028	139	11	shown	show	VERB
eurjchem-2028	139	12	in	in	ADP
eurjchem-2028	139	13	figure	figure	NOUN
eurjchem-2028	139	14	5	5	NUM
eurjchem-2028	139	15	,	,	PUNCT
eurjchem-2028	139	16	the	the	DET
eurjchem-2028	139	17	positive	positive	ADJ
eurjchem-2028	139	18	phase	phase	NOUN
eurjchem-2028	139	19	is	be	AUX
eurjchem-2028	139	20	represented	represent	VERB
eurjchem-2028	139	21	by	by	ADP
eurjchem-2028	139	22	the	the	DET
eurjchem-2028	139	23	red	red	ADJ
eurjchem-2028	139	24	color	color	NOUN
eurjchem-2028	139	25	and	and	CCONJ
eurjchem-2028	139	26	negative	negative	ADJ
eurjchem-2028	139	27	phase	phase	NOUN
eurjchem-2028	139	28	represented	represent	VERB
eurjchem-2028	139	29	in	in	ADP
eurjchem-2028	139	30	green	green	ADJ
eurjchem-2028	139	31	color	color	NOUN
eurjchem-2028	139	32	)	)	PUNCT
eurjchem-2028	139	33	.	.	PUNCT
eurjchem-2028	140	1	the	the	DET
eurjchem-2028	140	2	homo	homo	NOUN
eurjchem-2028	140	3	lies	lie	VERB
eurjchem-2028	140	4	at	at	ADP
eurjchem-2028	140	5	-4.82	-4.82	PROPN
eurjchem-2028	140	6	ev	ev	X
eurjchem-2028	140	7	and	and	CCONJ
eurjchem-2028	140	8	spreads	spread	VERB
eurjchem-2028	140	9	over	over	ADP
eurjchem-2028	140	10	the	the	DET
eurjchem-2028	140	11	thiazole	thiazole	NOUN
eurjchem-2028	140	12	ring	ring	NOUN
eurjchem-2028	140	13	whereas	whereas	SCONJ
eurjchem-2028	140	14	the	the	DET
eurjchem-2028	140	15	lumo	lumo	NOUN
eurjchem-2028	140	16	is	be	AUX
eurjchem-2028	140	17	located	locate	VERB
eurjchem-2028	140	18	at	at	ADP
eurjchem-2028	140	19	-3.36	-3.36	NOUN
eurjchem-2028	140	20	ev	ev	INTJ
eurjchem-2028	140	21	which	which	PRON
eurjchem-2028	140	22	shows	show	VERB
eurjchem-2028	140	23	that	that	SCONJ
eurjchem-2028	140	24	the	the	DET
eurjchem-2028	140	25	charge	charge	NOUN
eurjchem-2028	140	26	transfer	transfer	NOUN
eurjchem-2028	140	27	to	to	ADP
eurjchem-2028	140	28	imidazole	imidazole	NOUN
eurjchem-2028	140	29	ring	ring	NOUN
eurjchem-2028	140	30	within	within	ADP
eurjchem-2028	140	31	the	the	DET
eurjchem-2028	140	32	molecule	molecule	NOUN
eurjchem-2028	140	33	and	and	CCONJ
eurjchem-2028	140	34	the	the	DET
eurjchem-2028	140	35	energy	energy	NOUN
eurjchem-2028	140	36	gap	gap	NOUN
eurjchem-2028	140	37	is	be	AUX
eurjchem-2028	140	38	1.46	1.46	NUM
eurjchem-2028	140	39	ev	ev	NOUN
eurjchem-2028	140	40	.	.	PUNCT
eurjchem-2028	141	1	the	the	DET
eurjchem-2028	141	2	energy	energy	NOUN
eurjchem-2028	141	3	difference	difference	NOUN
eurjchem-2028	141	4	between	between	ADP
eurjchem-2028	141	5	the	the	DET
eurjchem-2028	141	6	homo	homo	NOUN
eurjchem-2028	141	7	and	and	CCONJ
eurjchem-2028	141	8	the	the	DET
eurjchem-2028	141	9	lumo	lumo	ADJ
eurjchem-2028	141	10	orbital	orbital	NOUN
eurjchem-2028	141	11	is	be	AUX
eurjchem-2028	141	12	called	call	VERB
eurjchem-2028	141	13	as	as	ADP
eurjchem-2028	141	14	energy	energy	NOUN
eurjchem-2028	141	15	gap	gap	NOUN
eurjchem-2028	141	16	that	that	PRON
eurjchem-2028	141	17	is	be	AUX
eurjchem-2028	141	18	important	important	ADJ
eurjchem-2028	141	19	for	for	ADP
eurjchem-2028	141	20	the	the	DET
eurjchem-2028	141	21	stability	stability	NOUN
eurjchem-2028	141	22	of	of	ADP
eurjchem-2028	141	23	structures	structure	NOUN
eurjchem-2028	141	24	.	.	PUNCT
eurjchem-2028	142	1	both	both	CCONJ
eurjchem-2028	142	2	the	the	DET
eurjchem-2028	142	3	homo	homo	NOUN
eurjchem-2028	142	4	and	and	CCONJ
eurjchem-2028	142	5	lumo	lumo	NOUN
eurjchem-2028	142	6	orbitals	orbital	NOUN
eurjchem-2028	142	7	help	help	VERB
eurjchem-2028	142	8	describe	describe	VERB
eurjchem-2028	142	9	the	the	DET
eurjchem-2028	142	10	chemical	chemical	NOUN
eurjchem-2028	142	11	reactivity	reactivity	NOUN
eurjchem-2028	142	12	and	and	CCONJ
eurjchem-2028	142	13	kinetic	kinetic	ADJ
eurjchem-2028	142	14	stability	stability	NOUN
eurjchem-2028	142	15	of	of	ADP
eurjchem-2028	142	16	the	the	DET
eurjchem-2028	142	17	binary	binary	PROPN
eurjchem-2028	142	18	complex	complex	NOUN
eurjchem-2028	142	19	.	.	PUNCT
eurjchem-2028	143	1	by	by	ADP
eurjchem-2028	143	2	using	use	VERB
eurjchem-2028	143	3	homo	homo	NOUN
eurjchem-2028	143	4	and	and	CCONJ
eurjchem-2028	143	5	lumo	lumo	NOUN
eurjchem-2028	143	6	energy	energy	NOUN
eurjchem-2028	143	7	values	value	NOUN
eurjchem-2028	143	8	for	for	ADP
eurjchem-2028	143	9	a	a	DET
eurjchem-2028	143	10	molecule	molecule	NOUN
eurjchem-2028	143	11	,	,	PUNCT
eurjchem-2028	143	12	the	the	DET
eurjchem-2028	143	13	electronegativity	electronegativity	NOUN
eurjchem-2028	143	14	and	and	CCONJ
eurjchem-2028	143	15	chemical	chemical	NOUN
eurjchem-2028	143	16	hardness	hardness	NOUN
eurjchem-2028	143	17	can	can	AUX
eurjchem-2028	143	18	be	be	AUX
eurjchem-2028	143	19	calculated	calculate	VERB
eurjchem-2028	143	20	as	as	SCONJ
eurjchem-2028	143	21	follows	follow	VERB
eurjchem-2028	143	22	[	[	X
eurjchem-2028	143	23	46	46	NUM
eurjchem-2028	143	24	]	]	X
eurjchem-2028	143	25	:	:	PUNCT
eurjchem-2028	143	26	𝜒𝜒	𝜒𝜒	ADP
eurjchem-2028	143	27	=	=	PUNCT
eurjchem-2028	143	28	-(ehomo	-(ehomo	PUNCT
eurjchem-2028	143	29	+	+	NUM
eurjchem-2028	143	30	elumo)/2	elumo)/2	NOUN
eurjchem-2028	143	31	=	=	SYM
eurjchem-2028	143	32	4.09	4.09	NUM
eurjchem-2028	143	33	(	(	PUNCT
eurjchem-2028	143	34	2	2	NUM
eurjchem-2028	143	35	)	)	PUNCT
eurjchem-2028	143	36	𝜂𝜂	𝜂𝜂	NOUN
eurjchem-2028	143	37	=	=	PUNCT
eurjchem-2028	143	38	(	(	PUNCT
eurjchem-2028	143	39	elumo	elumo	ADJ
eurjchem-2028	143	40	ehomo)/2	ehomo)/2	NOUN
eurjchem-2028	143	41	=	=	NOUN
eurjchem-2028	143	42	0.73	0.73	NUM
eurjchem-2028	143	43	(	(	PUNCT
eurjchem-2028	143	44	3	3	NUM
eurjchem-2028	143	45	)	)	PUNCT
eurjchem-2028	143	46	𝑆𝑆	𝑆𝑆	PROPN
eurjchem-2028	143	47	=	=	SYM
eurjchem-2028	143	48	1/2𝜂𝜂	1/2𝜂𝜂	NUM
eurjchem-2028	143	49	=	=	SYM
eurjchem-2028	143	50	0.68	0.68	NUM
eurjchem-2028	143	51	(	(	PUNCT
eurjchem-2028	143	52	4	4	NUM
eurjchem-2028	143	53	)	)	PUNCT
eurjchem-2028	143	54	𝐼𝐼	𝐼𝐼	PROPN
eurjchem-2028	143	55	=	=	SYM
eurjchem-2028	143	56	-𝐸𝐸homo	-𝐸𝐸homo	PROPN
eurjchem-2028	143	57	=	=	SYM
eurjchem-2028	143	58	4.82	4.82	NUM
eurjchem-2028	143	59	(	(	PUNCT
eurjchem-2028	143	60	5	5	NUM
eurjchem-2028	143	61	)	)	PUNCT
eurjchem-2028	144	1	𝐴𝐴	𝐴𝐴	PROPN
eurjchem-2028	144	2	=	=	SYM
eurjchem-2028	144	3	-𝐸𝐸lumo	-𝐸𝐸lumo	PROPN
eurjchem-2028	144	4	=	=	SYM
eurjchem-2028	144	5	3.36	3.36	NUM
eurjchem-2028	144	6	(	(	PUNCT
eurjchem-2028	144	7	6	6	NUM
eurjchem-2028	144	8	)	)	PUNCT
eurjchem-2028	144	9	sharma	sharma	PROPN
eurjchem-2028	144	10	et	et	PROPN
eurjchem-2028	144	11	al	al	PROPN
eurjchem-2028	144	12	.	.	PUNCT
eurjchem-2028	144	13	/	/	SYM
eurjchem-2028	144	14	european	european	PROPN
eurjchem-2028	144	15	journal	journal	PROPN
eurjchem-2028	144	16	of	of	ADP
eurjchem-2028	144	17	chemistry	chemistry	NOUN
eurjchem-2028	144	18	11	11	NUM
eurjchem-2028	144	19	(	(	PUNCT
eurjchem-2028	144	20	4	4	NUM
eurjchem-2028	144	21	)	)	PUNCT
eurjchem-2028	144	22	(	(	PUNCT
eurjchem-2028	144	23	2020	2020	NUM
eurjchem-2028	144	24	)	)	PUNCT
eurjchem-2028	144	25	324	324	NUM
eurjchem-2028	144	26	-	-	SYM
eurjchem-2028	144	27	333	333	NUM
eurjchem-2028	144	28	329	329	NUM
eurjchem-2028	144	29	2020	2020	NUM
eurjchem-2028	144	30	–	–	PUNCT
eurjchem-2028	144	31	european	european	ADJ
eurjchem-2028	144	32	journal	journal	NOUN
eurjchem-2028	144	33	of	of	ADP
eurjchem-2028	144	34	chemistry	chemistry	NOUN
eurjchem-2028	144	35	–	–	PUNCT
eurjchem-2028	144	36	cc	cc	NOUN
eurjchem-2028	144	37	by	by	ADP
eurjchem-2028	144	38	nc	nc	PROPN
eurjchem-2028	144	39	–	–	PUNCT
eurjchem-2028	144	40	doi	doi	NOUN
eurjchem-2028	144	41	:	:	PUNCT
eurjchem-2028	144	42	10.5155	10.5155	NUM
eurjchem-2028	144	43	/	/	SYM
eurjchem-2028	145	1	eurjchem.11.4.324	eurjchem.11.4.324	NUM
eurjchem-2028	145	2	-	-	PUNCT
eurjchem-2028	145	3	333.2028	333.2028	NUM
eurjchem-2028	145	4	table	table	NOUN
eurjchem-2028	145	5	4	4	NUM
eurjchem-2028	145	6	.	.	PUNCT
eurjchem-2028	146	1	homo	homo	NOUN
eurjchem-2028	146	2	-	-	PUNCT
eurjchem-2028	146	3	lumo	lumo	NOUN
eurjchem-2028	146	4	and	and	CCONJ
eurjchem-2028	146	5	other	other	ADJ
eurjchem-2028	146	6	related	relate	VERB
eurjchem-2028	146	7	molecular	molecular	ADJ
eurjchem-2028	146	8	properties	property	NOUN
eurjchem-2028	146	9	of	of	ADP
eurjchem-2028	146	10	3,3'-[(3	3,3'-[(3	NUM
eurjchem-2028	146	11	-	-	PUNCT
eurjchem-2028	146	12	benzimidazolyl)methylene]bis(4	benzimidazolyl)methylene]bis(4	NOUN
eurjchem-2028	146	13	-	-	PUNCT
eurjchem-2028	146	14	hydroxy-2h-1	hydroxy-2h-1	NOUN
eurjchem-2028	146	15	-	-	PUNCT
eurjchem-2028	146	16	benzopyran-2	benzopyran-2	NOUN
eurjchem-2028	146	17	-	-	PUNCT
eurjchem-2028	146	18	one):5	one):5	NOUN
eurjchem-2028	146	19	-	-	PUNCT
eurjchem-2028	146	20	methyl-1,3thiazol-2(3h)-imine	methyl-1,3thiazol-2(3h)-imine	NOUN
eurjchem-2028	146	21	.	.	NOUN
eurjchem-2028	146	22	molecular	molecular	ADJ
eurjchem-2028	146	23	parameters	parameter	NOUN
eurjchem-2028	146	24	(	(	PUNCT
eurjchem-2028	146	25	ev	ev	NOUN
eurjchem-2028	146	26	)	)	PUNCT
eurjchem-2028	146	27	b3lyp/6	b3lyp/6	PROPN
eurjchem-2028	146	28	-	-	PUNCT
eurjchem-2028	146	29	311	311	NUM
eurjchem-2028	146	30	g	g	ADP
eurjchem-2028	146	31	elumo	elumo	ADJ
eurjchem-2028	146	32	-3.36	-3.36	NOUN
eurjchem-2028	146	33	ehomo	ehomo	NOUN
eurjchem-2028	146	34	-4.82	-4.82	VERB
eurjchem-2028	146	35	elumoehomo	elumoehomo	VERB
eurjchem-2028	146	36	1.46	1.46	NUM
eurjchem-2028	146	37	ionization	ionization	NOUN
eurjchem-2028	146	38	potential	potential	NOUN
eurjchem-2028	146	39	(	(	PUNCT
eurjchem-2028	146	40	i	i	NOUN
eurjchem-2028	146	41	)	)	PUNCT
eurjchem-2028	146	42	3.36	3.36	NUM
eurjchem-2028	146	43	electron	electron	NOUN
eurjchem-2028	146	44	affinity	affinity	NOUN
eurjchem-2028	146	45	(	(	PUNCT
eurjchem-2028	146	46	a	a	X
eurjchem-2028	146	47	)	)	PUNCT
eurjchem-2028	146	48	4.82	4.82	NUM
eurjchem-2028	146	49	electronegativity	electronegativity	NOUN
eurjchem-2028	146	50	(	(	PUNCT
eurjchem-2028	146	51	χ	χ	NOUN
eurjchem-2028	146	52	)	)	PUNCT
eurjchem-2028	146	53	4.09	4.09	NUM
eurjchem-2028	146	54	global	global	ADJ
eurjchem-2028	146	55	hardness	hardness	NOUN
eurjchem-2028	146	56	(	(	PUNCT
eurjchem-2028	146	57	ɳ	ɳ	NOUN
eurjchem-2028	146	58	)	)	PUNCT
eurjchem-2028	146	59	0.73	0.73	NUM
eurjchem-2028	146	60	chemical	chemical	NOUN
eurjchem-2028	146	61	potential	potential	NOUN
eurjchem-2028	146	62	(	(	PUNCT
eurjchem-2028	146	63	μ	μ	NOUN
eurjchem-2028	146	64	)	)	PUNCT
eurjchem-2028	146	65	-4.09	-4.09	ADJ
eurjchem-2028	146	66	global	global	ADJ
eurjchem-2028	146	67	electrophilicity	electrophilicity	NOUN
eurjchem-2028	146	68	(	(	PUNCT
eurjchem-2028	146	69	ω	ω	NOUN
eurjchem-2028	146	70	)	)	PUNCT
eurjchem-2028	146	71	2.04	2.04	NUM
eurjchem-2028	146	72	figure	figure	NOUN
eurjchem-2028	146	73	5	5	NUM
eurjchem-2028	146	74	.	.	PUNCT
eurjchem-2028	146	75	homo	homo	NOUN
eurjchem-2028	146	76	-	-	PUNCT
eurjchem-2028	146	77	lumo	lumo	NOUN
eurjchem-2028	146	78	plot	plot	NOUN
eurjchem-2028	146	79	of	of	ADP
eurjchem-2028	146	80	3,3'-[(3	3,3'-[(3	NUM
eurjchem-2028	146	81	-	-	PUNCT
eurjchem-2028	146	82	benzimidazolyl)methylene]bis(4	benzimidazolyl)methylene]bis(4	NOUN
eurjchem-2028	146	83	-	-	PUNCT
eurjchem-2028	146	84	hydroxy-2h-1	hydroxy-2h-1	NOUN
eurjchem-2028	146	85	-	-	PUNCT
eurjchem-2028	146	86	benzopyran-2	benzopyran-2	NOUN
eurjchem-2028	146	87	-	-	PUNCT
eurjchem-2028	146	88	one):5	one):5	ADP
eurjchem-2028	146	89	-	-	PUNCT
eurjchem-2028	146	90	methyl-1,3	methyl-1,3	NOUN
eurjchem-2028	146	91	-	-	PUNCT
eurjchem-2028	146	92	thiazol-2(3h)-imine	thiazol-2(3h)-imine	NOUN
eurjchem-2028	146	93	.	.	PUNCT
eurjchem-2028	147	1	the	the	DET
eurjchem-2028	147	2	homo	homo	NOUN
eurjchem-2028	147	3	and	and	CCONJ
eurjchem-2028	147	4	lumo	lumo	NOUN
eurjchem-2028	147	5	energies	energy	NOUN
eurjchem-2028	147	6	,	,	PUNCT
eurjchem-2028	147	7	the	the	DET
eurjchem-2028	147	8	energy	energy	NOUN
eurjchem-2028	147	9	gap	gap	NOUN
eurjchem-2028	147	10	(	(	PUNCT
eurjchem-2028	147	11	∆e	∆e	PROPN
eurjchem-2028	147	12	)	)	PUNCT
eurjchem-2028	147	13	,	,	PUNCT
eurjchem-2028	147	14	the	the	DET
eurjchem-2028	147	15	ionization	ionization	NOUN
eurjchem-2028	147	16	potential	potential	NOUN
eurjchem-2028	147	17	(	(	PUNCT
eurjchem-2028	147	18	i	i	NOUN
eurjchem-2028	147	19	)	)	PUNCT
eurjchem-2028	147	20	,	,	PUNCT
eurjchem-2028	147	21	the	the	DET
eurjchem-2028	147	22	electron	electron	NOUN
eurjchem-2028	147	23	affinity	affinity	NOUN
eurjchem-2028	147	24	(	(	PUNCT
eurjchem-2028	147	25	a	a	X
eurjchem-2028	147	26	)	)	PUNCT
eurjchem-2028	147	27	,	,	PUNCT
eurjchem-2028	147	28	global	global	ADJ
eurjchem-2028	147	29	hardness	hardness	NOUN
eurjchem-2028	147	30	(	(	PUNCT
eurjchem-2028	147	31	ɳ	ɳ	NOUN
eurjchem-2028	147	32	)	)	PUNCT
eurjchem-2028	147	33	,	,	PUNCT
eurjchem-2028	147	34	chemical	chemical	NOUN
eurjchem-2028	147	35	potential	potential	NOUN
eurjchem-2028	147	36	(	(	PUNCT
eurjchem-2028	147	37	μ	μ	NOUN
eurjchem-2028	147	38	)	)	PUNCT
eurjchem-2028	147	39	,	,	PUNCT
eurjchem-2028	147	40	global	global	ADJ
eurjchem-2028	147	41	electrophilicity	electrophilicity	NOUN
eurjchem-2028	147	42	(	(	PUNCT
eurjchem-2028	147	43	ω	ω	NOUN
eurjchem-2028	147	44	)	)	PUNCT
eurjchem-2028	147	45	for	for	ADP
eurjchem-2028	147	46	the	the	DET
eurjchem-2028	147	47	investigated	investigate	VERB
eurjchem-2028	147	48	binary	binary	NOUN
eurjchem-2028	147	49	complex	complex	NOUN
eurjchem-2028	147	50	have	have	AUX
eurjchem-2028	147	51	been	be	AUX
eurjchem-2028	147	52	calculated	calculate	VERB
eurjchem-2028	147	53	at	at	ADP
eurjchem-2028	147	54	dft/6311	dft/6311	NOUN
eurjchem-2028	147	55	g	g	NOUN
eurjchem-2028	147	56	level	level	NOUN
eurjchem-2028	147	57	and	and	CCONJ
eurjchem-2028	147	58	the	the	DET
eurjchem-2028	147	59	results	result	NOUN
eurjchem-2028	147	60	are	be	AUX
eurjchem-2028	147	61	given	give	VERB
eurjchem-2028	147	62	in	in	ADP
eurjchem-2028	147	63	table	table	NOUN
eurjchem-2028	147	64	4	4	NUM
eurjchem-2028	147	65	.	.	PUNCT
eurjchem-2028	147	66	3.2.4	3.2.4	NUM
eurjchem-2028	147	67	.	.	PUNCT
eurjchem-2028	148	1	atomic	atomic	ADJ
eurjchem-2028	148	2	net	net	ADJ
eurjchem-2028	148	3	charges	charge	NOUN
eurjchem-2028	148	4	the	the	DET
eurjchem-2028	148	5	charge	charge	NOUN
eurjchem-2028	148	6	distribution	distribution	NOUN
eurjchem-2028	148	7	on	on	ADP
eurjchem-2028	148	8	the	the	DET
eurjchem-2028	148	9	molecule	molecule	NOUN
eurjchem-2028	148	10	has	have	VERB
eurjchem-2028	148	11	an	an	DET
eurjchem-2028	148	12	important	important	ADJ
eurjchem-2028	148	13	influence	influence	NOUN
eurjchem-2028	148	14	on	on	ADP
eurjchem-2028	148	15	the	the	DET
eurjchem-2028	148	16	vibrational	vibrational	ADJ
eurjchem-2028	148	17	spectrum	spectrum	NOUN
eurjchem-2028	148	18	.	.	PUNCT
eurjchem-2028	149	1	the	the	DET
eurjchem-2028	149	2	total	total	ADJ
eurjchem-2028	149	3	atomic	atomic	ADJ
eurjchem-2028	149	4	charges	charge	NOUN
eurjchem-2028	149	5	of	of	ADP
eurjchem-2028	149	6	3	3	NUM
eurjchem-2028	149	7	,	,	PUNCT
eurjchem-2028	149	8	3'-[(3	3'-[(3	NUM
eurjchem-2028	149	9	-	-	SYM
eurjchem-2028	149	10	benzimidazolyl)methylene	benzimidazolyl)methylene	NOUN
eurjchem-2028	149	11	]	]	PUNCT
eurjchem-2028	149	12	bis(4	bis(4	NOUN
eurjchem-2028	149	13	-	-	PUNCT
eurjchem-2028	149	14	hydroxy-2h-1	hydroxy-2h-1	NOUN
eurjchem-2028	149	15	-	-	PUNCT
eurjchem-2028	149	16	benzopyran-2	benzopyran-2	NOUN
eurjchem-2028	149	17	-	-	PUNCT
eurjchem-2028	149	18	one	one	NUM
eurjchem-2028	149	19	):	):	PUNCT
eurjchem-2028	149	20	5	5	NUM
eurjchem-2028	149	21	-	-	SYM
eurjchem-2028	149	22	methyl-1	methyl-1	NUM
eurjchem-2028	149	23	,	,	PUNCT
eurjchem-2028	149	24	3	3	NUM
eurjchem-2028	149	25	-	-	PUNCT
eurjchem-2028	149	26	thiazol-2(3h)-imine	thiazol-2(3h)-imine	NOUN
eurjchem-2028	149	27	obtained	obtain	VERB
eurjchem-2028	149	28	by	by	ADP
eurjchem-2028	149	29	mulliken	mulliken	PROPN
eurjchem-2028	149	30	[	[	X
eurjchem-2028	149	31	47	47	NUM
eurjchem-2028	149	32	]	]	X
eurjchem-2028	149	33	methods	method	NOUN
eurjchem-2028	149	34	using	use	VERB
eurjchem-2028	149	35	hf/6	hf/6	NOUN
eurjchem-2028	149	36	-	-	PUNCT
eurjchem-2028	149	37	311	311	NUM
eurjchem-2028	149	38	g	g	NOUN
eurjchem-2028	149	39	and	and	CCONJ
eurjchem-2028	149	40	b3lyp/6	b3lyp/6	NOUN
eurjchem-2028	149	41	-	-	NOUN
eurjchem-2028	149	42	311	311	NUM
eurjchem-2028	149	43	g	g	NOUN
eurjchem-2028	149	44	level	level	NOUN
eurjchem-2028	149	45	of	of	ADP
eurjchem-2028	149	46	theory	theory	NOUN
eurjchem-2028	149	47	are	be	AUX
eurjchem-2028	149	48	shown	show	VERB
eurjchem-2028	149	49	in	in	ADP
eurjchem-2028	149	50	table	table	NOUN
eurjchem-2028	149	51	5	5	NUM
eurjchem-2028	149	52	.	.	PUNCT
eurjchem-2028	150	1	the	the	DET
eurjchem-2028	150	2	atomic	atomic	ADJ
eurjchem-2028	150	3	mulliken	mulliken	NOUN
eurjchem-2028	150	4	charge	charge	NOUN
eurjchem-2028	150	5	values	value	NOUN
eurjchem-2028	150	6	have	have	AUX
eurjchem-2028	150	7	been	be	AUX
eurjchem-2028	150	8	obtained	obtain	VERB
eurjchem-2028	150	9	by	by	ADP
eurjchem-2028	150	10	the	the	DET
eurjchem-2028	150	11	mulliken	mulliken	ADJ
eurjchem-2028	150	12	population	population	NOUN
eurjchem-2028	150	13	analysis	analysis	NOUN
eurjchem-2028	150	14	.	.	PUNCT
eurjchem-2028	151	1	it	it	PRON
eurjchem-2028	151	2	is	be	AUX
eurjchem-2028	151	3	based	base	VERB
eurjchem-2028	151	4	on	on	ADP
eurjchem-2028	151	5	the	the	DET
eurjchem-2028	151	6	linear	linear	ADJ
eurjchem-2028	151	7	combination	combination	NOUN
eurjchem-2028	151	8	of	of	ADP
eurjchem-2028	151	9	atomic	atomic	ADJ
eurjchem-2028	151	10	orbitals	orbital	NOUN
eurjchem-2028	151	11	and	and	CCONJ
eurjchem-2028	151	12	therefore	therefore	ADV
eurjchem-2028	151	13	the	the	DET
eurjchem-2028	151	14	wave	wave	NOUN
eurjchem-2028	151	15	function	function	NOUN
eurjchem-2028	151	16	of	of	ADP
eurjchem-2028	151	17	the	the	DET
eurjchem-2028	151	18	molecule	molecule	NOUN
eurjchem-2028	151	19	.	.	PUNCT
eurjchem-2028	152	1	the	the	DET
eurjchem-2028	152	2	range	range	NOUN
eurjchem-2028	152	3	of	of	ADP
eurjchem-2028	152	4	hydrogen	hydrogen	NOUN
eurjchem-2028	152	5	atom	atom	NOUN
eurjchem-2028	152	6	charge	charge	NOUN
eurjchem-2028	152	7	in	in	ADP
eurjchem-2028	152	8	the	the	DET
eurjchem-2028	152	9	case	case	NOUN
eurjchem-2028	152	10	of	of	ADP
eurjchem-2028	152	11	hf/6	hf/6	NOUN
eurjchem-2028	152	12	-	-	SYM
eurjchem-2028	152	13	311	311	NUM
eurjchem-2028	152	14	g	g	NOUN
eurjchem-2028	152	15	is	be	AUX
eurjchem-2028	152	16	from	from	ADP
eurjchem-2028	152	17	0.161	0.161	NUM
eurjchem-2028	152	18	to	to	ADP
eurjchem-2028	152	19	0.488	0.488	NUM
eurjchem-2028	152	20	,	,	PUNCT
eurjchem-2028	152	21	whereas	whereas	SCONJ
eurjchem-2028	152	22	the	the	DET
eurjchem-2028	152	23	range	range	NOUN
eurjchem-2028	152	24	of	of	ADP
eurjchem-2028	152	25	hydrogen	hydrogen	NOUN
eurjchem-2028	152	26	atom	atom	NOUN
eurjchem-2028	152	27	charges	charge	NOUN
eurjchem-2028	152	28	in	in	ADP
eurjchem-2028	152	29	the	the	DET
eurjchem-2028	152	30	case	case	NOUN
eurjchem-2028	152	31	of	of	ADP
eurjchem-2028	152	32	b3lyp/6	b3lyp/6	PROPN
eurjchem-2028	152	33	-	-	NOUN
eurjchem-2028	152	34	311g(d	311g(d	NUM
eurjchem-2028	152	35	,	,	PUNCT
eurjchem-2028	152	36	p	p	NOUN
eurjchem-2028	152	37	)	)	PUNCT
eurjchem-2028	152	38	is	be	AUX
eurjchem-2028	152	39	from	from	ADP
eurjchem-2028	152	40	0.149	0.149	NUM
eurjchem-2028	152	41	to	to	ADP
eurjchem-2028	152	42	0.432	0.432	NUM
eurjchem-2028	152	43	.	.	PUNCT
eurjchem-2028	153	1	all	all	DET
eurjchem-2028	153	2	hydrogen	hydrogen	NOUN
eurjchem-2028	153	3	atoms	atom	NOUN
eurjchem-2028	153	4	exhibit	exhibit	VERB
eurjchem-2028	153	5	positive	positive	ADJ
eurjchem-2028	153	6	charge	charge	NOUN
eurjchem-2028	153	7	,	,	PUNCT
eurjchem-2028	153	8	which	which	PRON
eurjchem-2028	153	9	is	be	AUX
eurjchem-2028	153	10	an	an	DET
eurjchem-2028	153	11	acceptor	acceptor	NOUN
eurjchem-2028	153	12	atom	atom	NOUN
eurjchem-2028	153	13	.	.	PUNCT
eurjchem-2028	154	1	the	the	DET
eurjchem-2028	154	2	charge	charge	NOUN
eurjchem-2028	154	3	distribution	distribution	NOUN
eurjchem-2028	154	4	for	for	ADP
eurjchem-2028	154	5	the	the	DET
eurjchem-2028	154	6	oxygen	oxygen	NOUN
eurjchem-2028	154	7	atoms	atom	NOUN
eurjchem-2028	154	8	(	(	PUNCT
eurjchem-2028	154	9	o1	o1	NOUN
eurjchem-2028	154	10	,	,	PUNCT
eurjchem-2028	154	11	o2	o2	PROPN
eurjchem-2028	154	12	,	,	PUNCT
eurjchem-2028	154	13	o3	o3	PROPN
eurjchem-2028	154	14	,	,	PUNCT
eurjchem-2028	154	15	o4	o4	PROPN
eurjchem-2028	154	16	,	,	PUNCT
eurjchem-2028	154	17	o5	o5	PROPN
eurjchem-2028	154	18	,	,	PUNCT
eurjchem-2028	154	19	and	and	CCONJ
eurjchem-2028	154	20	o6	o6	ADJ
eurjchem-2028	154	21	)	)	PUNCT
eurjchem-2028	154	22	and	and	CCONJ
eurjchem-2028	154	23	nitrogen	nitrogen	NOUN
eurjchem-2028	154	24	atoms	atom	NOUN
eurjchem-2028	154	25	(	(	PUNCT
eurjchem-2028	154	26	n1	n1	NOUN
eurjchem-2028	154	27	,	,	PUNCT
eurjchem-2028	154	28	n2	n2	NOUN
eurjchem-2028	154	29	,	,	PUNCT
eurjchem-2028	154	30	n3	n3	NOUN
eurjchem-2028	154	31	,	,	PUNCT
eurjchem-2028	154	32	and	and	CCONJ
eurjchem-2028	154	33	n4	n4	PROPN
eurjchem-2028	154	34	)	)	PUNCT
eurjchem-2028	154	35	present	present	ADJ
eurjchem-2028	154	36	in	in	ADP
eurjchem-2028	154	37	the	the	DET
eurjchem-2028	154	38	molecule	molecule	NOUN
eurjchem-2028	154	39	have	have	VERB
eurjchem-2028	154	40	negative	negative	ADJ
eurjchem-2028	154	41	charge	charge	NOUN
eurjchem-2028	154	42	values	value	NOUN
eurjchem-2028	154	43	which	which	PRON
eurjchem-2028	154	44	are	be	AUX
eurjchem-2028	154	45	donor	donor	NOUN
eurjchem-2028	154	46	atoms	atom	NOUN
eurjchem-2028	154	47	and	and	CCONJ
eurjchem-2028	154	48	their	their	PRON
eurjchem-2028	154	49	magnitudes	magnitude	NOUN
eurjchem-2028	154	50	decrease	decrease	NOUN
eurjchem-2028	154	51	as	as	SCONJ
eurjchem-2028	154	52	we	we	PRON
eurjchem-2028	154	53	go	go	VERB
eurjchem-2028	154	54	from	from	ADP
eurjchem-2028	154	55	hf	hf	NOUN
eurjchem-2028	154	56	to	to	ADP
eurjchem-2028	154	57	dft	dft	VERB
eurjchem-2028	154	58	level	level	NOUN
eurjchem-2028	154	59	of	of	ADP
eurjchem-2028	154	60	theory	theory	NOUN
eurjchem-2028	154	61	whereas	whereas	SCONJ
eurjchem-2028	154	62	sulphur	sulphur	NOUN
eurjchem-2028	154	63	atom	atom	NOUN
eurjchem-2028	154	64	has	have	VERB
eurjchem-2028	154	65	positive	positive	ADJ
eurjchem-2028	154	66	charge	charge	NOUN
eurjchem-2028	154	67	both	both	CCONJ
eurjchem-2028	154	68	in	in	ADP
eurjchem-2028	154	69	hf	hf	NOUN
eurjchem-2028	154	70	and	and	CCONJ
eurjchem-2028	154	71	dft	dft	PROPN
eurjchem-2028	154	72	theory	theory	NOUN
eurjchem-2028	154	73	which	which	PRON
eurjchem-2028	154	74	is	be	AUX
eurjchem-2028	154	75	an	an	DET
eurjchem-2028	154	76	acceptor	acceptor	NOUN
eurjchem-2028	154	77	atom	atom	NOUN
eurjchem-2028	154	78	.	.	PUNCT
eurjchem-2028	155	1	3.2.5	3.2.5	NUM
eurjchem-2028	155	2	.	.	X
eurjchem-2028	155	3	natural	natural	ADJ
eurjchem-2028	155	4	bond	bond	NOUN
eurjchem-2028	155	5	orbital	orbital	ADJ
eurjchem-2028	155	6	analysis	analysis	NOUN
eurjchem-2028	155	7	natural	natural	ADJ
eurjchem-2028	155	8	bond	bond	NOUN
eurjchem-2028	155	9	analysis	analysis	NOUN
eurjchem-2028	155	10	provides	provide	VERB
eurjchem-2028	155	11	an	an	DET
eurjchem-2028	155	12	efficient	efficient	ADJ
eurjchem-2028	155	13	method	method	NOUN
eurjchem-2028	155	14	for	for	ADP
eurjchem-2028	155	15	studying	study	VERB
eurjchem-2028	155	16	intraand	intraand	NOUN
eurjchem-2028	155	17	inter	inter	ADJ
eurjchem-2028	155	18	-	-	ADJ
eurjchem-2028	155	19	molecular	molecular	ADJ
eurjchem-2028	155	20	bonding	bonding	NOUN
eurjchem-2028	155	21	interactions	interaction	NOUN
eurjchem-2028	155	22	among	among	ADP
eurjchem-2028	155	23	bonds	bond	NOUN
eurjchem-2028	155	24	and	and	CCONJ
eurjchem-2028	155	25	provides	provide	VERB
eurjchem-2028	155	26	a	a	DET
eurjchem-2028	155	27	convenient	convenient	ADJ
eurjchem-2028	155	28	source	source	NOUN
eurjchem-2028	155	29	for	for	ADP
eurjchem-2028	155	30	investigating	investigate	VERB
eurjchem-2028	155	31	charge	charge	NOUN
eurjchem-2028	155	32	transfer	transfer	NOUN
eurjchem-2028	155	33	or	or	CCONJ
eurjchem-2028	155	34	conjugative	conjugative	VERB
eurjchem-2028	155	35	interactions	interaction	NOUN
eurjchem-2028	155	36	in	in	ADP
eurjchem-2028	155	37	molecular	molecular	ADJ
eurjchem-2028	155	38	systems	system	NOUN
eurjchem-2028	155	39	.	.	PUNCT
eurjchem-2028	156	1	it	it	PRON
eurjchem-2028	156	2	gives	give	VERB
eurjchem-2028	156	3	useful	useful	ADJ
eurjchem-2028	156	4	information	information	NOUN
eurjchem-2028	156	5	about	about	ADP
eurjchem-2028	156	6	interactions	interaction	NOUN
eurjchem-2028	156	7	in	in	ADP
eurjchem-2028	156	8	both	both	DET
eurjchem-2028	156	9	filled	fill	VERB
eurjchem-2028	156	10	virtual	virtual	ADJ
eurjchem-2028	156	11	orbital	orbital	ADJ
eurjchem-2028	156	12	spaces	space	NOUN
eurjchem-2028	156	13	which	which	PRON
eurjchem-2028	156	14	could	could	AUX
eurjchem-2028	156	15	enhance	enhance	VERB
eurjchem-2028	156	16	the	the	DET
eurjchem-2028	156	17	analysis	analysis	NOUN
eurjchem-2028	156	18	of	of	ADP
eurjchem-2028	156	19	intraand	intraand	NOUN
eurjchem-2028	156	20	inter	inter	ADJ
eurjchem-2028	156	21	-	-	ADJ
eurjchem-2028	156	22	molecular	molecular	ADJ
eurjchem-2028	156	23	interactions	interaction	NOUN
eurjchem-2028	156	24	[	[	X
eurjchem-2028	156	25	48	48	NUM
eurjchem-2028	156	26	]	]	PUNCT
eurjchem-2028	156	27	.	.	PUNCT
eurjchem-2028	157	1	the	the	DET
eurjchem-2028	157	2	natural	natural	ADJ
eurjchem-2028	157	3	bond	bond	NOUN
eurjchem-2028	157	4	orbital	orbital	NOUN
eurjchem-2028	157	5	(	(	PUNCT
eurjchem-2028	157	6	nbo	nbo	NOUN
eurjchem-2028	157	7	)	)	PUNCT
eurjchem-2028	157	8	calculation	calculation	NOUN
eurjchem-2028	157	9	was	be	AUX
eurjchem-2028	157	10	performed	perform	VERB
eurjchem-2028	157	11	using	use	VERB
eurjchem-2028	157	12	nbo	nbo	PROPN
eurjchem-2028	157	13	program	program	NOUN
eurjchem-2028	157	14	implemented	implement	VERB
eurjchem-2028	157	15	in	in	ADP
eurjchem-2028	157	16	the	the	DET
eurjchem-2028	157	17	gaussian	gaussian	ADJ
eurjchem-2028	157	18	09	09	NUM
eurjchem-2028	157	19	package	package	NOUN
eurjchem-2028	157	20	at	at	ADP
eurjchem-2028	157	21	the	the	DET
eurjchem-2028	157	22	dft	dft	PROPN
eurjchem-2028	157	23	/	/	SYM
eurjchem-2028	157	24	b3lyp	b3lyp	NOUN
eurjchem-2028	157	25	level	level	NOUN
eurjchem-2028	157	26	in	in	ADP
eurjchem-2028	157	27	order	order	NOUN
eurjchem-2028	157	28	to	to	PART
eurjchem-2028	157	29	understand	understand	VERB
eurjchem-2028	157	30	various	various	ADJ
eurjchem-2028	157	31	second	second	ADJ
eurjchem-2028	157	32	-	-	PUNCT
eurjchem-2028	157	33	order	order	NOUN
eurjchem-2028	157	34	interactions	interaction	NOUN
eurjchem-2028	157	35	between	between	ADP
eurjchem-2028	157	36	the	the	DET
eurjchem-2028	157	37	filled	fill	VERB
eurjchem-2028	157	38	orbitals	orbital	NOUN
eurjchem-2028	157	39	of	of	ADP
eurjchem-2028	157	40	one	one	NUM
eurjchem-2028	157	41	subsystem	subsystem	NOUN
eurjchem-2028	157	42	and	and	CCONJ
eurjchem-2028	157	43	vacant	vacant	ADJ
eurjchem-2028	157	44	orbitals	orbital	NOUN
eurjchem-2028	157	45	of	of	ADP
eurjchem-2028	157	46	another	another	DET
eurjchem-2028	157	47	subsystem	subsystem	NOUN
eurjchem-2028	157	48	,	,	PUNCT
eurjchem-2028	157	49	which	which	PRON
eurjchem-2028	157	50	is	be	AUX
eurjchem-2028	157	51	a	a	DET
eurjchem-2028	157	52	measure	measure	NOUN
eurjchem-2028	157	53	of	of	ADP
eurjchem-2028	157	54	the	the	DET
eurjchem-2028	157	55	delocalization	delocalization	NOUN
eurjchem-2028	157	56	or	or	CCONJ
eurjchem-2028	157	57	hyperconjugation	hyperconjugation	NOUN
eurjchem-2028	157	58	.	.	PUNCT
eurjchem-2028	158	1	the	the	DET
eurjchem-2028	158	2	hyperconjugative	hyperconjugative	ADJ
eurjchem-2028	158	3	interaction	interaction	NOUN
eurjchem-2028	158	4	energy	energy	NOUN
eurjchem-2028	158	5	was	be	AUX
eurjchem-2028	158	6	deduced	deduce	VERB
eurjchem-2028	158	7	from	from	ADP
eurjchem-2028	158	8	the	the	DET
eurjchem-2028	158	9	second	second	ADJ
eurjchem-2028	158	10	-	-	PUNCT
eurjchem-2028	158	11	order	order	NOUN
eurjchem-2028	158	12	perturbation	perturbation	NOUN
eurjchem-2028	158	13	approach	approach	NOUN
eurjchem-2028	158	14	[	[	X
eurjchem-2028	158	15	49	49	NUM
eurjchem-2028	158	16	]	]	PUNCT
eurjchem-2028	158	17	.	.	PUNCT
eurjchem-2028	159	1	for	for	ADP
eurjchem-2028	159	2	each	each	DET
eurjchem-2028	159	3	donor	donor	NOUN
eurjchem-2028	159	4	nbo	nbo	PROPN
eurjchem-2028	159	5	(	(	PUNCT
eurjchem-2028	159	6	i	i	NOUN
eurjchem-2028	159	7	)	)	PUNCT
eurjchem-2028	159	8	and	and	CCONJ
eurjchem-2028	159	9	acceptor	acceptor	PROPN
eurjchem-2028	159	10	nbo	nbo	PROPN
eurjchem-2028	159	11	(	(	PUNCT
eurjchem-2028	159	12	j	j	PROPN
eurjchem-2028	159	13	)	)	PUNCT
eurjchem-2028	159	14	,	,	PUNCT
eurjchem-2028	159	15	the	the	DET
eurjchem-2028	159	16	stabilization	stabilization	NOUN
eurjchem-2028	159	17	energy	energy	NOUN
eurjchem-2028	159	18	e(2	e(2	NOUN
eurjchem-2028	159	19	)	)	PUNCT
eurjchem-2028	159	20	associated	associate	VERB
eurjchem-2028	159	21	with	with	ADP
eurjchem-2028	159	22	electron	electron	NOUN
eurjchem-2028	159	23	delocalization	delocalization	NOUN
eurjchem-2028	159	24	between	between	ADP
eurjchem-2028	159	25	donor	donor	NOUN
eurjchem-2028	159	26	and	and	CCONJ
eurjchem-2028	159	27	acceptor	acceptor	NOUN
eurjchem-2028	159	28	is	be	AUX
eurjchem-2028	159	29	estimated	estimate	VERB
eurjchem-2028	159	30	as	as	ADP
eurjchem-2028	159	31	𝐸𝐸(2	𝐸𝐸(2	PROPN
eurjchem-2028	159	32	)	)	PUNCT
eurjchem-2028	160	1	=	=	SYM
eurjchem-2028	160	2	∆𝐸𝐸𝑖𝑖𝑖𝑖	∆𝐸𝐸𝑖𝑖𝑖𝑖	VERB
eurjchem-2028	160	3	=	=	SYM
eurjchem-2028	160	4	𝑞𝑞𝑖𝑖	𝑞𝑞𝑖𝑖	NOUN
eurjchem-2028	160	5	𝐹𝐹(𝑖𝑖,𝑖𝑖)2	𝐹𝐹(𝑖𝑖,𝑖𝑖)2	NUM
eurjchem-2028	160	6	𝐸𝐸𝑗𝑗	𝐸𝐸𝑗𝑗	PRON
eurjchem-2028	160	7	−𝐸𝐸𝑖𝑖	−𝐸𝐸𝑖𝑖	NOUN
eurjchem-2028	160	8	(	(	PUNCT
eurjchem-2028	160	9	7	7	NUM
eurjchem-2028	160	10	)	)	PUNCT
eurjchem-2028	160	11	where	where	SCONJ
eurjchem-2028	160	12	qi	qi	PROPN
eurjchem-2028	160	13	is	be	AUX
eurjchem-2028	160	14	the	the	DET
eurjchem-2028	160	15	donor	donor	NOUN
eurjchem-2028	160	16	orbital	orbital	ADJ
eurjchem-2028	160	17	occupancy	occupancy	NOUN
eurjchem-2028	160	18	,	,	PUNCT
eurjchem-2028	160	19	ei	ei	PROPN
eurjchem-2028	160	20	,	,	PUNCT
eurjchem-2028	160	21	ej	ej	PROPN
eurjchem-2028	160	22	are	be	AUX
eurjchem-2028	160	23	diagonal	diagonal	ADJ
eurjchem-2028	160	24	elements	element	NOUN
eurjchem-2028	160	25	(	(	PUNCT
eurjchem-2028	160	26	orbital	orbital	ADJ
eurjchem-2028	160	27	energies	energy	NOUN
eurjchem-2028	160	28	)	)	PUNCT
eurjchem-2028	160	29	,	,	PUNCT
eurjchem-2028	160	30	and	and	CCONJ
eurjchem-2028	160	31	f(i	f(i	PROPN
eurjchem-2028	160	32	,	,	PUNCT
eurjchem-2028	160	33	j	j	PROPN
eurjchem-2028	160	34	)	)	PUNCT
eurjchem-2028	160	35	is	be	AUX
eurjchem-2028	160	36	the	the	DET
eurjchem-2028	160	37	off	off	ADV
eurjchem-2028	160	38	-	-	PUNCT
eurjchem-2028	160	39	diagonal	diagonal	ADJ
eurjchem-2028	160	40	nbo	nbo	NOUN
eurjchem-2028	160	41	fock	fock	ADJ
eurjchem-2028	160	42	matrix	matrix	NOUN
eurjchem-2028	160	43	element	element	NOUN
eurjchem-2028	160	44	.	.	PUNCT
eurjchem-2028	161	1	larger	large	ADJ
eurjchem-2028	161	2	the	the	DET
eurjchem-2028	161	3	e(2	e(2	NOUN
eurjchem-2028	161	4	)	)	PUNCT
eurjchem-2028	161	5	value	value	NOUN
eurjchem-2028	161	6	,	,	PUNCT
eurjchem-2028	161	7	the	the	DET
eurjchem-2028	161	8	more	more	ADV
eurjchem-2028	161	9	intensive	intensive	ADJ
eurjchem-2028	161	10	is	be	AUX
eurjchem-2028	161	11	the	the	DET
eurjchem-2028	161	12	interaction	interaction	NOUN
eurjchem-2028	161	13	between	between	ADP
eurjchem-2028	161	14	the	the	DET
eurjchem-2028	161	15	electron	electron	NOUN
eurjchem-2028	161	16	donor	donor	NOUN
eurjchem-2028	161	17	and	and	CCONJ
eurjchem-2028	161	18	electron	electron	NOUN
eurjchem-2028	161	19	acceptor	acceptor	NOUN
eurjchem-2028	161	20	,	,	PUNCT
eurjchem-2028	161	21	i.e	i.e	PROPN
eurjchem-2028	161	22	,	,	PUNCT
eurjchem-2028	161	23	the	the	DET
eurjchem-2028	161	24	more	more	ADV
eurjchem-2028	161	25	donating	donating	ADJ
eurjchem-2028	161	26	tendency	tendency	NOUN
eurjchem-2028	161	27	from	from	ADP
eurjchem-2028	161	28	the	the	DET
eurjchem-2028	161	29	electron	electron	NOUN
eurjchem-2028	161	30	donor	donor	NOUN
eurjchem-2028	161	31	to	to	ADP
eurjchem-2028	161	32	electron	electron	NOUN
eurjchem-2028	161	33	acceptors	acceptor	NOUN
eurjchem-2028	161	34	and	and	CCONJ
eurjchem-2028	161	35	the	the	DET
eurjchem-2028	161	36	extent	extent	NOUN
eurjchem-2028	161	37	of	of	ADP
eurjchem-2028	161	38	electron	electron	NOUN
eurjchem-2028	161	39	delocalization	delocalization	NOUN
eurjchem-2028	161	40	is	be	AUX
eurjchem-2028	161	41	greater	great	ADJ
eurjchem-2028	161	42	.	.	PUNCT
eurjchem-2028	162	1	the	the	DET
eurjchem-2028	162	2	results	result	NOUN
eurjchem-2028	162	3	of	of	ADP
eurjchem-2028	162	4	second	second	ADJ
eurjchem-2028	162	5	-	-	PUNCT
eurjchem-2028	162	6	order	order	NOUN
eurjchem-2028	162	7	perturbation	perturbation	NOUN
eurjchem-2028	162	8	theory	theory	NOUN
eurjchem-2028	162	9	analysis	analysis	NOUN
eurjchem-2028	162	10	of	of	ADP
eurjchem-2028	162	11	fock	fock	ADJ
eurjchem-2028	162	12	matrix	matrix	NOUN
eurjchem-2028	162	13	at	at	ADP
eurjchem-2028	162	14	b3lyp/6	b3lyp/6	PROPN
eurjchem-2028	162	15	-	-	PUNCT
eurjchem-2028	162	16	311	311	NUM
eurjchem-2028	162	17	g	g	NOUN
eurjchem-2028	162	18	level	level	NOUN
eurjchem-2028	162	19	of	of	ADP
eurjchem-2028	162	20	theory	theory	NOUN
eurjchem-2028	162	21	are	be	AUX
eurjchem-2028	162	22	collected	collect	VERB
eurjchem-2028	162	23	in	in	ADP
eurjchem-2028	162	24	table	table	NOUN
eurjchem-2028	162	25	6	6	NUM
eurjchem-2028	162	26	.	.	PUNCT
eurjchem-2028	163	1	in	in	ADP
eurjchem-2028	163	2	this	this	DET
eurjchem-2028	163	3	compound	compound	NOUN
eurjchem-2028	163	4	,	,	PUNCT
eurjchem-2028	163	5	the	the	DET
eurjchem-2028	163	6	strong	strong	ADJ
eurjchem-2028	163	7	intra	intra	ADJ
eurjchem-2028	163	8	-	-	ADJ
eurjchem-2028	163	9	molecular	molecular	ADJ
eurjchem-2028	163	10	hyperconjugation	hyperconjugation	NOUN
eurjchem-2028	163	11	interaction	interaction	NOUN
eurjchem-2028	163	12	of	of	ADP
eurjchem-2028	163	13	the	the	DET
eurjchem-2028	163	14	π	π	PROPN
eurjchem-2028	163	15	electrons	electron	NOUN
eurjchem-2028	163	16	from	from	ADP
eurjchem-2028	163	17	c18	c18	NOUN
eurjchem-2028	163	18	-	-	PUNCT
eurjchem-2028	163	19	c19	c19	NOUN
eurjchem-2028	163	20	to	to	ADP
eurjchem-2028	163	21	the	the	DET
eurjchem-2028	163	22	π	π	PROPN
eurjchem-2028	163	23	*	*	PUNCT
eurjchem-2028	163	24	antibonding	antibonde	VERB
eurjchem-2028	163	25	orbitals	orbital	NOUN
eurjchem-2028	163	26	of	of	ADP
eurjchem-2028	163	27	c26	c26	NOUN
eurjchem-2028	163	28	-	-	PUNCT
eurjchem-2028	163	29	o5	o5	PROPN
eurjchem-2028	163	30	and	and	CCONJ
eurjchem-2028	163	31	σ	σ	PROPN
eurjchem-2028	163	32	(	(	PUNCT
eurjchem-2028	163	33	c6	c6	PROPN
eurjchem-2028	163	34	-	-	PUNCT
eurjchem-2028	163	35	c5	c5	PROPN
eurjchem-2028	163	36	)	)	PUNCT
eurjchem-2028	163	37	to	to	ADP
eurjchem-2028	163	38	the	the	DET
eurjchem-2028	163	39	σ	σ	PROPN
eurjchem-2028	163	40	*	*	PUNCT
eurjchem-2028	163	41	antibonding	antibonde	VERB
eurjchem-2028	163	42	orbital	orbital	ADJ
eurjchem-2028	163	43	c8	c8	PROPN
eurjchem-2028	163	44	-	-	PUNCT
eurjchem-2028	163	45	c7	c7	PROPN
eurjchem-2028	163	46	leads	lead	VERB
eurjchem-2028	163	47	to	to	ADP
eurjchem-2028	163	48	the	the	DET
eurjchem-2028	163	49	stabilization	stabilization	NOUN
eurjchem-2028	163	50	energy	energy	NOUN
eurjchem-2028	163	51	of	of	ADP
eurjchem-2028	163	52	30.36	30.36	NUM
eurjchem-2028	163	53	and	and	CCONJ
eurjchem-2028	163	54	23.44	23.44	NUM
eurjchem-2028	163	55	kj	kj	PROPN
eurjchem-2028	163	56	/	/	SYM
eurjchem-2028	163	57	mol	mol	PROPN
eurjchem-2028	163	58	,	,	PUNCT
eurjchem-2028	163	59	respectively	respectively	ADV
eurjchem-2028	163	60	.	.	PUNCT
eurjchem-2028	164	1	the	the	DET
eurjchem-2028	164	2	most	most	ADV
eurjchem-2028	164	3	important	important	ADJ
eurjchem-2028	164	4	interaction	interaction	NOUN
eurjchem-2028	164	5	energy	energy	NOUN
eurjchem-2028	164	6	related	relate	VERB
eurjchem-2028	164	7	to	to	ADP
eurjchem-2028	164	8	the	the	DET
eurjchem-2028	164	9	resonance	resonance	NOUN
eurjchem-2028	164	10	in	in	ADP
eurjchem-2028	164	11	the	the	DET
eurjchem-2028	164	12	binary	binary	ADJ
eurjchem-2028	164	13	complex	complex	NOUN
eurjchem-2028	164	14	is	be	AUX
eurjchem-2028	164	15	the	the	DET
eurjchem-2028	164	16	electron	electron	NOUN
eurjchem-2028	164	17	donating	donating	NOUN
eurjchem-2028	164	18	from	from	ADP
eurjchem-2028	164	19	the	the	DET
eurjchem-2028	164	20	lone	lone	ADJ
eurjchem-2028	164	21	pair	pair	NOUN
eurjchem-2028	164	22	lp	lp	PROPN
eurjchem-2028	164	23	o1	o1	NOUN
eurjchem-2028	164	24	atom	atom	NOUN
eurjchem-2028	164	25	to	to	ADP
eurjchem-2028	164	26	σ	σ	PROPN
eurjchem-2028	164	27	*	*	PROPN
eurjchem-2028	164	28	(	(	PUNCT
eurjchem-2028	164	29	c1	c1	PROPN
eurjchem-2028	164	30	-	-	PUNCT
eurjchem-2028	164	31	c2	c2	PROPN
eurjchem-2028	164	32	)	)	PUNCT
eurjchem-2028	164	33	and	and	CCONJ
eurjchem-2028	164	34	lp	lp	NOUN
eurjchem-2028	164	35	n3	n3	ADJ
eurjchem-2028	164	36	atom	atom	NOUN
eurjchem-2028	164	37	to	to	ADP
eurjchem-2028	164	38	σ	σ	PROPN
eurjchem-2028	164	39	*	*	PROPN
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eurjchem-2028	181	2	condensed	condense	VERB
eurjchem-2028	181	3	fukui	fukui	PROPN
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eurjchem-2028	181	5	on	on	ADP
eurjchem-2028	181	6	the	the	DET
eurjchem-2028	181	7	jth	jth	PROPN
eurjchem-2028	181	8	atom	atom	NOUN
eurjchem-2028	181	9	site	site	NOUN
eurjchem-2028	181	10	can	can	AUX
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eurjchem-2028	181	14	:	:	PUNCT
eurjchem-2028	181	15	fj+	fj+	NOUN
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eurjchem-2028	182	1	+	+	NOUN
eurjchem-2028	182	2	1	1	X
eurjchem-2028	182	3	)	)	PUNCT
eurjchem-2028	182	4	−	−	NOUN
eurjchem-2028	182	5	qj(n	qj(n	NUM
eurjchem-2028	182	6	)	)	PUNCT
eurjchem-2028	182	7	(	(	PUNCT
eurjchem-2028	182	8	8)	8)	NUM
eurjchem-2028	182	9	fj0	fj0	ADJ
eurjchem-2028	182	10	=	=	SYM
eurjchem-2028	182	11	1	1	NUM
eurjchem-2028	182	12	2	2	NUM
eurjchem-2028	182	13	[	[	X
eurjchem-2028	182	14	qj(n	qj(n	NOUN
eurjchem-2028	182	15	+	+	NOUN
eurjchem-2028	182	16	1	1	NUM
eurjchem-2028	182	17	)	)	PUNCT
eurjchem-2028	182	18	−	−	NOUN
eurjchem-2028	182	19	qj(n	qj(n	PUNCT
eurjchem-2028	182	20	−	−	NOUN
eurjchem-2028	182	21	1	1	NUM
eurjchem-2028	182	22	)	)	PUNCT
eurjchem-2028	182	23	]	]	PUNCT
eurjchem-2028	182	24	(	(	PUNCT
eurjchem-2028	182	25	9	9	NUM
eurjchem-2028	182	26	)	)	PUNCT
eurjchem-2028	182	27	fj−	fj−	NOUN
eurjchem-2028	182	28	=	=	SYM
eurjchem-2028	182	29	qj(n	qj(n	X
eurjchem-2028	182	30	)	)	PUNCT
eurjchem-2028	182	31	−	−	NOUN
eurjchem-2028	182	32	qj(n	qj(n	PUNCT
eurjchem-2028	182	33	−	−	NOUN
eurjchem-2028	182	34	1	1	NUM
eurjchem-2028	182	35	)	)	PUNCT
eurjchem-2028	182	36	(	(	PUNCT
eurjchem-2028	182	37	10	10	NUM
eurjchem-2028	182	38	)	)	PUNCT
eurjchem-2028	182	39	where	where	SCONJ
eurjchem-2028	182	40	fj+	fj+	NOUN
eurjchem-2028	182	41	for	for	ADP
eurjchem-2028	182	42	nucleophilic	nucleophilic	ADJ
eurjchem-2028	182	43	attack	attack	NOUN
eurjchem-2028	182	44	,	,	PUNCT
eurjchem-2028	182	45	fjfor	fjfor	VERB
eurjchem-2028	182	46	electrophilic	electrophilic	ADJ
eurjchem-2028	182	47	attack	attack	NOUN
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eurjchem-2028	182	49	fj0	fj0	ADJ
eurjchem-2028	182	50	for	for	ADP
eurjchem-2028	182	51	free	free	ADJ
eurjchem-2028	182	52	radical	radical	ADJ
eurjchem-2028	182	53	.	.	PUNCT
eurjchem-2028	183	1	in	in	ADP
eurjchem-2028	183	2	these	these	DET
eurjchem-2028	183	3	equations	equation	NOUN
eurjchem-2028	183	4	,	,	PUNCT
eurjchem-2028	183	5	qj	qj	PROPN
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eurjchem-2028	183	11	the	the	DET
eurjchem-2028	183	12	jth	jth	PROPN
eurjchem-2028	183	13	atomic	atomic	PROPN
eurjchem-2028	183	14	site	site	NOUN
eurjchem-2028	183	15	in	in	ADP
eurjchem-2028	183	16	the	the	DET
eurjchem-2028	183	17	neutral	neutral	ADJ
eurjchem-2028	183	18	(	(	PUNCT
eurjchem-2028	183	19	n	n	CCONJ
eurjchem-2028	183	20	)	)	PUNCT
eurjchem-2028	183	21	,	,	PUNCT
eurjchem-2028	183	22	anionic	anionic	NOUN
eurjchem-2028	183	23	(	(	PUNCT
eurjchem-2028	183	24	n+1	n+1	NOUN
eurjchem-2028	183	25	)	)	PUNCT
eurjchem-2028	183	26	,	,	PUNCT
eurjchem-2028	183	27	or	or	CCONJ
eurjchem-2028	183	28	cationic	cationic	ADJ
eurjchem-2028	183	29	(	(	PUNCT
eurjchem-2028	183	30	n-1	n-1	NUM
eurjchem-2028	183	31	)	)	PUNCT
eurjchem-2028	183	32	chemical	chemical	NOUN
eurjchem-2028	183	33	species	specie	NOUN
eurjchem-2028	183	34	.	.	PUNCT
eurjchem-2028	184	1	sharma	sharma	PROPN
eurjchem-2028	184	2	et	et	PROPN
eurjchem-2028	184	3	al	al	PROPN
eurjchem-2028	184	4	.	.	PUNCT
eurjchem-2028	184	5	/	/	SYM
eurjchem-2028	184	6	european	european	PROPN
eurjchem-2028	184	7	journal	journal	PROPN
eurjchem-2028	184	8	of	of	ADP
eurjchem-2028	184	9	chemistry	chemistry	NOUN
eurjchem-2028	184	10	11	11	NUM
eurjchem-2028	184	11	(	(	PUNCT
eurjchem-2028	184	12	4	4	NUM
eurjchem-2028	184	13	)	)	PUNCT
eurjchem-2028	184	14	(	(	PUNCT
eurjchem-2028	184	15	2020	2020	NUM
eurjchem-2028	184	16	)	)	PUNCT
eurjchem-2028	184	17	324	324	NUM
eurjchem-2028	184	18	-	-	SYM
eurjchem-2028	184	19	333	333	NUM
eurjchem-2028	184	20	331	331	NUM
eurjchem-2028	184	21	2020	2020	NUM
eurjchem-2028	184	22	–	–	PUNCT
eurjchem-2028	184	23	european	european	ADJ
eurjchem-2028	184	24	journal	journal	NOUN
eurjchem-2028	184	25	of	of	ADP
eurjchem-2028	184	26	chemistry	chemistry	NOUN
eurjchem-2028	184	27	–	–	PUNCT
eurjchem-2028	184	28	cc	cc	NOUN
eurjchem-2028	184	29	by	by	ADP
eurjchem-2028	184	30	nc	nc	PROPN
eurjchem-2028	184	31	–	–	PUNCT
eurjchem-2028	184	32	doi	doi	NOUN
eurjchem-2028	184	33	:	:	PUNCT
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eurjchem-2028	184	35	/	/	SYM
eurjchem-2028	184	36	eurjchem.11.4.324	eurjchem.11.4.324	NUM
eurjchem-2028	184	37	-	-	PUNCT
eurjchem-2028	184	38	333.2028	333.2028	NUM
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eurjchem-2028	184	40	6	6	NUM
eurjchem-2028	184	41	.	.	PUNCT
eurjchem-2028	184	42	second	second	ADJ
eurjchem-2028	184	43	-	-	PUNCT
eurjchem-2028	184	44	order	order	NOUN
eurjchem-2028	184	45	perturbation	perturbation	NOUN
eurjchem-2028	184	46	theory	theory	NOUN
eurjchem-2028	184	47	analysis	analysis	NOUN
eurjchem-2028	184	48	of	of	ADP
eurjchem-2028	184	49	fock	fock	ADJ
eurjchem-2028	184	50	matrix	matrix	NOUN
eurjchem-2028	184	51	of	of	ADP
eurjchem-2028	184	52	3,3'-[(3	3,3'-[(3	NUM
eurjchem-2028	184	53	-	-	PUNCT
eurjchem-2028	184	54	benzimidazolyl)methylene]bis(4	benzimidazolyl)methylene]bis(4	NOUN
eurjchem-2028	184	55	-	-	PUNCT
eurjchem-2028	184	56	hydroxy-2h-1	hydroxy-2h-1	NOUN
eurjchem-2028	184	57	-	-	PUNCT
eurjchem-2028	184	58	benzopyran-2	benzopyran-2	NOUN
eurjchem-2028	184	59	-	-	PUNCT
eurjchem-2028	184	60	one):5	one):5	NOUN
eurjchem-2028	184	61	-	-	PUNCT
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eurjchem-2028	184	63	by	by	ADP
eurjchem-2028	184	64	nbo	nbo	PROPN
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eurjchem-2028	184	66	at	at	ADP
eurjchem-2028	184	67	b3lyp/6	b3lyp/6	PROPN
eurjchem-2028	184	68	-	-	NOUN
eurjchem-2028	184	69	311g(d	311g(d	NUM
eurjchem-2028	184	70	,	,	PUNCT
eurjchem-2028	184	71	p	p	NOUN
eurjchem-2028	184	72	)	)	PUNCT
eurjchem-2028	184	73	level	level	NOUN
eurjchem-2028	184	74	.	.	PUNCT
eurjchem-2028	185	1	donor	donor	NOUN
eurjchem-2028	185	2	(	(	PUNCT
eurjchem-2028	185	3	i	i	NOUN
eurjchem-2028	185	4	)	)	PUNCT
eurjchem-2028	185	5	ed(i)(e	ed(i)(e	NOUN
eurjchem-2028	185	6	)	)	PUNCT
eurjchem-2028	185	7	acceptor	acceptor	NOUN
eurjchem-2028	185	8	(	(	PUNCT
eurjchem-2028	185	9	j	j	NOUN
eurjchem-2028	185	10	)	)	PUNCT
eurjchem-2028	185	11	ed(j)(e	ed(j)(e	NOUN
eurjchem-2028	185	12	)	)	PUNCT
eurjchem-2028	185	13	e(2	e(2	NOUN
eurjchem-2028	185	14	)	)	PUNCT
eurjchem-2028	185	15	(	(	PUNCT
eurjchem-2028	185	16	kj	kj	PROPN
eurjchem-2028	185	17	/	/	SYM
eurjchem-2028	185	18	mol	mol	PROPN
eurjchem-2028	185	19	)	)	PUNCT
eurjchem-2028	185	20	a	a	DET
eurjchem-2028	185	21	e(j	e(j	PROPN
eurjchem-2028	185	22	)	)	PUNCT
eurjchem-2028	185	23	e(i	e(i	PROPN
eurjchem-2028	185	24	)	)	PUNCT
eurjchem-2028	185	25	(	(	PUNCT
eurjchem-2028	185	26	a.u	a.u	PROPN
eurjchem-2028	185	27	)	)	PUNCT
eurjchem-2028	185	28	b	b	NOUN
eurjchem-2028	186	1	f(i	f(i	PROPN
eurjchem-2028	186	2	,	,	PUNCT
eurjchem-2028	186	3	j	j	PROPN
eurjchem-2028	186	4	)	)	PUNCT
eurjchem-2028	186	5	(	(	PUNCT
eurjchem-2028	186	6	a.u	a.u	PROPN
eurjchem-2028	186	7	)	)	PUNCT
eurjchem-2028	186	8	c	c	PROPN
eurjchem-2028	186	9	σ	σ	PROPN
eurjchem-2028	186	10	(	(	PUNCT
eurjchem-2028	186	11	c13	c13	PROPN
eurjchem-2028	186	12	-	-	PUNCT
eurjchem-2028	186	13	c14	c14	NOUN
eurjchem-2028	186	14	)	)	PUNCT
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eurjchem-2028	186	16	σ	σ	NOUN
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eurjchem-2028	186	18	(	(	PUNCT
eurjchem-2028	186	19	c14	c14	NOUN
eurjchem-2028	186	20	-	-	PUNCT
eurjchem-2028	186	21	c15	c15	NOUN
eurjchem-2028	186	22	)	)	PUNCT
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eurjchem-2028	186	25	1.21	1.21	NUM
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eurjchem-2028	186	27	σ	σ	NOUN
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eurjchem-2028	186	29	c13	c13	PROPN
eurjchem-2028	186	30	-	-	PUNCT
eurjchem-2028	186	31	c14	c14	NOUN
eurjchem-2028	186	32	)	)	PUNCT
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eurjchem-2028	186	34	σ	σ	PROPN
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eurjchem-2028	186	38	-	-	PUNCT
eurjchem-2028	186	39	h2	h2	NOUN
eurjchem-2028	186	40	)	)	PUNCT
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eurjchem-2028	186	43	1.06	1.06	NUM
eurjchem-2028	186	44	0.062	0.062	NUM
eurjchem-2028	186	45	σ	σ	NOUN
eurjchem-2028	186	46	(	(	PUNCT
eurjchem-2028	186	47	c13	c13	PROPN
eurjchem-2028	186	48	-	-	PUNCT
eurjchem-2028	186	49	c12	c12	PROPN
eurjchem-2028	186	50	)	)	PUNCT
eurjchem-2028	186	51	1.97402	1.97402	NUM
eurjchem-2028	186	52	σ	σ	X
eurjchem-2028	186	53	*	*	PUNCT
eurjchem-2028	186	54	(	(	PUNCT
eurjchem-2028	186	55	c13	c13	PROPN
eurjchem-2028	186	56	-	-	PUNCT
eurjchem-2028	186	57	c14	c14	NOUN
eurjchem-2028	186	58	)	)	PUNCT
eurjchem-2028	186	59	0.03863	0.03863	NUM
eurjchem-2028	186	60	4.61	4.61	NUM
eurjchem-2028	186	61	1.18	1.18	NUM
eurjchem-2028	186	62	0.066	0.066	NUM
eurjchem-2028	186	63	σ	σ	NOUN
eurjchem-2028	186	64	(	(	PUNCT
eurjchem-2028	186	65	c13	c13	NOUN
eurjchem-2028	186	66	-	-	PUNCT
eurjchem-2028	186	67	n3	n3	NOUN
eurjchem-2028	186	68	)	)	PUNCT
eurjchem-2028	186	69	1.98467	1.98467	NUM
eurjchem-2028	186	70	σ	σ	NOUN
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eurjchem-2028	186	72	(	(	PUNCT
eurjchem-2028	186	73	c13	c13	PROPN
eurjchem-2028	186	74	-	-	PUNCT
eurjchem-2028	186	75	c12	c12	PROPN
eurjchem-2028	186	76	)	)	PUNCT
eurjchem-2028	186	77	0.01793	0.01793	NUM
eurjchem-2028	186	78	3.99	3.99	NUM
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eurjchem-2028	186	80	0.068	0.068	NUM
eurjchem-2028	186	81	σ	σ	NOUN
eurjchem-2028	186	82	(	(	PUNCT
eurjchem-2028	186	83	c14	c14	NOUN
eurjchem-2028	186	84	-	-	PUNCT
eurjchem-2028	186	85	c15	c15	NOUN
eurjchem-2028	186	86	)	)	PUNCT
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eurjchem-2028	186	88	σ	σ	NOUN
eurjchem-2028	186	89	*	*	PUNCT
eurjchem-2028	186	90	(	(	PUNCT
eurjchem-2028	186	91	c15	c15	PROPN
eurjchem-2028	186	92	-	-	PUNCT
eurjchem-2028	186	93	c10	c10	VERB
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eurjchem-2028	186	99	σ	σ	NOUN
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eurjchem-2028	186	111	n2	n2	NOUN
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eurjchem-2028	186	121	h15	h15	NOUN
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eurjchem-2028	186	124	σ	σ	NOUN
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eurjchem-2028	186	128	-	-	PUNCT
eurjchem-2028	186	129	c11	c11	NOUN
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eurjchem-2028	186	139	c1	c1	NOUN
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eurjchem-2028	186	142	σ	σ	NOUN
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eurjchem-2028	186	156	-	-	PUNCT
eurjchem-2028	186	157	c2	c2	PROPN
eurjchem-2028	186	158	)	)	PUNCT
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eurjchem-2028	186	162	(	(	PUNCT
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eurjchem-2028	186	165	o4	o4	PROPN
eurjchem-2028	186	166	)	)	PUNCT
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eurjchem-2028	186	171	σ	σ	NOUN
eurjchem-2028	186	172	(	(	PUNCT
eurjchem-2028	186	173	c9	c9	NOUN
eurjchem-2028	186	174	-	-	PUNCT
eurjchem-2028	186	175	o4	o4	PROPN
eurjchem-2028	186	176	)	)	PUNCT
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eurjchem-2028	186	178	σ	σ	X
eurjchem-2028	186	179	*	*	PROPN
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eurjchem-2028	186	182	-	-	PUNCT
eurjchem-2028	186	183	c3	c3	PROPN
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eurjchem-2028	186	211	c4	c4	NOUN
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eurjchem-2028	186	214	σ	σ	NOUN
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eurjchem-2028	186	229	c5	c5	PROPN
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eurjchem-2028	194	24	0.02060	0.02060	NUM
eurjchem-2028	194	25	c26	c26	NOUN
eurjchem-2028	194	26	0.00096	0.00096	NUM
eurjchem-2028	194	27	0.00381	0.00381	NUM
eurjchem-2028	194	28	-0.00285	-0.00285	PUNCT
eurjchem-2028	194	29	c19	c19	PROPN
eurjchem-2028	194	30	0.00509	0.00509	NUM
eurjchem-2028	194	31	0.01274	0.01274	NUM
eurjchem-2028	194	32	-0.00765	-0.00765	PUNCT
eurjchem-2028	195	1	o6	o6	PROPN
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eurjchem-2028	195	3	0.01182	0.01182	NUM
eurjchem-2028	195	4	-0.00161	-0.00161	ADJ
eurjchem-2028	196	1	o5	o5	PROPN
eurjchem-2028	196	2	0.01342	0.01342	NUM
eurjchem-2028	196	3	0.00746	0.00746	NUM
eurjchem-2028	196	4	0.00596	0.00596	NUM
eurjchem-2028	196	5	o3	o3	PROPN
eurjchem-2028	196	6	0.00191	0.00191	NUM
eurjchem-2028	196	7	-0.00265	-0.00265	NOUN
eurjchem-2028	196	8	0.00456	0.00456	NUM
eurjchem-2028	196	9	n1	n1	NOUN
eurjchem-2028	196	10	0.06728	0.06728	NUM
eurjchem-2028	196	11	-0.00373	-0.00373	VERB
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eurjchem-2028	196	13	s1	s1	NOUN
eurjchem-2028	196	14	0.14188	0.14188	NUM
eurjchem-2028	196	15	0.02853	0.02853	NUM
eurjchem-2028	196	16	0.11335	0.11335	NUM
eurjchem-2028	196	17	n4	n4	PROPN
eurjchem-2028	196	18	0.13501	0.13501	NUM
eurjchem-2028	196	19	-0.01195	-0.01195	NOUN
eurjchem-2028	196	20	0.14696	0.14696	NUM
eurjchem-2028	196	21	h4a	h4a	NOUN
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eurjchem-2028	196	23	0.00729	0.00729	NUM
eurjchem-2028	196	24	0.01404	0.01404	NUM
eurjchem-2028	196	25	h1	h1	NOUN
eurjchem-2028	196	26	0.01244	0.01244	NUM
eurjchem-2028	196	27	-0.01152	-0.01152	NOUN
eurjchem-2028	196	28	0.02396	0.02396	NUM
eurjchem-2028	197	1	the	the	DET
eurjchem-2028	197	2	atomic	atomic	ADJ
eurjchem-2028	197	3	charges	charge	NOUN
eurjchem-2028	197	4	either	either	CCONJ
eurjchem-2028	197	5	calculated	calculate	VERB
eurjchem-2028	197	6	by	by	ADP
eurjchem-2028	197	7	natural	natural	ADJ
eurjchem-2028	197	8	population	population	NOUN
eurjchem-2028	197	9	analysis	analysis	NOUN
eurjchem-2028	197	10	(	(	PUNCT
eurjchem-2028	197	11	npa	npa	NOUN
eurjchem-2028	197	12	)	)	PUNCT
eurjchem-2028	197	13	or	or	CCONJ
eurjchem-2028	197	14	by	by	ADP
eurjchem-2028	197	15	mulliken	mulliken	ADJ
eurjchem-2028	197	16	population	population	NOUN
eurjchem-2028	197	17	analysis	analysis	NOUN
eurjchem-2028	197	18	(	(	PUNCT
eurjchem-2028	197	19	mpa	mpa	NOUN
eurjchem-2028	197	20	)	)	PUNCT
eurjchem-2028	197	21	have	have	AUX
eurjchem-2028	197	22	been	be	AUX
eurjchem-2028	197	23	used	use	VERB
eurjchem-2028	197	24	to	to	PART
eurjchem-2028	197	25	calculate	calculate	VERB
eurjchem-2028	197	26	the	the	DET
eurjchem-2028	197	27	fukui	fukui	PROPN
eurjchem-2028	197	28	function	function	NOUN
eurjchem-2028	197	29	.	.	PUNCT
eurjchem-2028	198	1	in	in	ADP
eurjchem-2028	198	2	the	the	DET
eurjchem-2028	198	3	present	present	ADJ
eurjchem-2028	198	4	study	study	NOUN
eurjchem-2028	198	5	the	the	DET
eurjchem-2028	198	6	values	value	NOUN
eurjchem-2028	198	7	of	of	ADP
eurjchem-2028	198	8	fukui	fukui	PROPN
eurjchem-2028	198	9	function	function	PROPN
eurjchem-2028	198	10	calculated	calculate	VERB
eurjchem-2028	198	11	from	from	ADP
eurjchem-2028	198	12	the	the	DET
eurjchem-2028	198	13	nbo	nbo	PROPN
eurjchem-2028	198	14	charges	charge	NOUN
eurjchem-2028	198	15	.	.	PUNCT
eurjchem-2028	199	1	the	the	DET
eurjchem-2028	199	2	dual	dual	ADJ
eurjchem-2028	199	3	descriptor	descriptor	NOUN
eurjchem-2028	199	4	∆f(r	∆f(r	NOUN
eurjchem-2028	199	5	)	)	PUNCT
eurjchem-2028	200	1	[	[	X
eurjchem-2028	200	2	53	53	NUM
eurjchem-2028	200	3	]	]	PUNCT
eurjchem-2028	200	4	for	for	ADP
eurjchem-2028	200	5	the	the	DET
eurjchem-2028	200	6	calculation	calculation	NOUN
eurjchem-2028	200	7	of	of	ADP
eurjchem-2028	200	8	nucleophilicity	nucleophilicity	NOUN
eurjchem-2028	200	9	and	and	CCONJ
eurjchem-2028	200	10	electrophilicity	electrophilicity	NOUN
eurjchem-2028	200	11	is	be	AUX
eurjchem-2028	200	12	defined	define	VERB
eurjchem-2028	200	13	as	as	ADP
eurjchem-2028	200	14	the	the	DET
eurjchem-2028	200	15	difference	difference	NOUN
eurjchem-2028	200	16	between	between	ADP
eurjchem-2028	200	17	the	the	DET
eurjchem-2028	200	18	nucleophilic	nucleophilic	ADJ
eurjchem-2028	200	19	and	and	CCONJ
eurjchem-2028	200	20	electrophilic	electrophilic	ADJ
eurjchem-2028	200	21	fukui	fukui	NOUN
eurjchem-2028	200	22	functions	function	NOUN
eurjchem-2028	200	23	and	and	CCONJ
eurjchem-2028	200	24	is	be	AUX
eurjchem-2028	200	25	given	give	VERB
eurjchem-2028	200	26	by	by	ADP
eurjchem-2028	200	27	the	the	DET
eurjchem-2028	200	28	equation	equation	NOUN
eurjchem-2028	200	29	(	(	PUNCT
eurjchem-2028	200	30	11	11	NUM
eurjchem-2028	200	31	):	):	PUNCT
eurjchem-2028	200	32	∆f(r	∆f(r	NOUN
eurjchem-2028	200	33	)	)	PUNCT
eurjchem-2028	200	34	=	=	SYM
eurjchem-2028	200	35	fj+	fj+	NOUN
eurjchem-2028	200	36	−	−	PROPN
eurjchem-2028	200	37	fj−	fj−	PUNCT
eurjchem-2028	200	38	(	(	PUNCT
eurjchem-2028	200	39	11	11	NUM
eurjchem-2028	200	40	)	)	PUNCT
eurjchem-2028	200	41	if	if	SCONJ
eurjchem-2028	200	42	∆f(r	∆f(r	NOUN
eurjchem-2028	200	43	)	)	PUNCT
eurjchem-2028	200	44	>	>	X
eurjchem-2028	200	45	0	0	NUM
eurjchem-2028	200	46	,	,	PUNCT
eurjchem-2028	200	47	then	then	ADV
eurjchem-2028	200	48	the	the	DET
eurjchem-2028	200	49	site	site	NOUN
eurjchem-2028	200	50	is	be	AUX
eurjchem-2028	200	51	favored	favor	VERB
eurjchem-2028	200	52	for	for	ADP
eurjchem-2028	200	53	nucleophilic	nucleophilic	ADJ
eurjchem-2028	200	54	attack	attack	NOUN
eurjchem-2028	200	55	,	,	PUNCT
eurjchem-2028	200	56	whereas	whereas	SCONJ
eurjchem-2028	200	57	if	if	SCONJ
eurjchem-2028	200	58	∆f(r	∆f(r	NOUN
eurjchem-2028	200	59	)	)	PUNCT
eurjchem-2028	200	60	<	<	X
eurjchem-2028	200	61	0	0	NUM
eurjchem-2028	200	62	,	,	PUNCT
eurjchem-2028	200	63	then	then	ADV
eurjchem-2028	200	64	the	the	DET
eurjchem-2028	200	65	site	site	NOUN
eurjchem-2028	200	66	is	be	AUX
eurjchem-2028	200	67	favored	favor	VERB
eurjchem-2028	200	68	for	for	ADP
eurjchem-2028	200	69	an	an	DET
eurjchem-2028	200	70	electrophilic	electrophilic	ADJ
eurjchem-2028	200	71	attack	attack	NOUN
eurjchem-2028	200	72	.	.	PUNCT
eurjchem-2028	201	1	according	accord	VERB
eurjchem-2028	201	2	to	to	ADP
eurjchem-2028	201	3	the	the	DET
eurjchem-2028	201	4	dual	dual	ADJ
eurjchem-2028	201	5	descriptor	descriptor	NOUN
eurjchem-2028	201	6	,	,	PUNCT
eurjchem-2028	201	7	∆f(r	∆f(r	PROPN
eurjchem-2028	201	8	)	)	PUNCT
eurjchem-2028	201	9	gives	give	VERB
eurjchem-2028	201	10	a	a	DET
eurjchem-2028	201	11	transparent	transparent	ADJ
eurjchem-2028	201	12	distinction	distinction	NOUN
eurjchem-2028	201	13	between	between	ADP
eurjchem-2028	201	14	nucleophilic	nucleophilic	ADJ
eurjchem-2028	201	15	and	and	CCONJ
eurjchem-2028	201	16	electrophilic	electrophilic	ADJ
eurjchem-2028	201	17	attacks	attack	NOUN
eurjchem-2028	201	18	at	at	ADP
eurjchem-2028	201	19	a	a	DET
eurjchem-2028	201	20	particular	particular	ADJ
eurjchem-2028	201	21	site	site	NOUN
eurjchem-2028	201	22	with	with	ADP
eurjchem-2028	201	23	their	their	PRON
eurjchem-2028	201	24	sign	sign	NOUN
eurjchem-2028	201	25	.	.	PUNCT
eurjchem-2028	202	1	from	from	ADP
eurjchem-2028	202	2	the	the	DET
eurjchem-2028	202	3	values	value	NOUN
eurjchem-2028	202	4	reported	report	VERB
eurjchem-2028	202	5	in	in	ADP
eurjchem-2028	202	6	table	table	NOUN
eurjchem-2028	202	7	7	7	NUM
eurjchem-2028	202	8	,	,	PUNCT
eurjchem-2028	202	9	according	accord	VERB
eurjchem-2028	202	10	to	to	ADP
eurjchem-2028	202	11	the	the	DET
eurjchem-2028	202	12	condition	condition	NOUN
eurjchem-2028	202	13	for	for	ADP
eurjchem-2028	202	14	dual	dual	ADJ
eurjchem-2028	202	15	descriptor	descriptor	NOUN
eurjchem-2028	202	16	,	,	PUNCT
eurjchem-2028	202	17	nucleophilic	nucleophilic	ADJ
eurjchem-2028	202	18	site	site	NOUN
eurjchem-2028	202	19	in	in	ADP
eurjchem-2028	202	20	our	our	PRON
eurjchem-2028	202	21	title	title	NOUN
eurjchem-2028	202	22	molecule	molecule	NOUN
eurjchem-2028	202	23	is	be	AUX
eurjchem-2028	202	24	c1	c1	NOUN
eurjchem-2028	202	25	,	,	PUNCT
eurjchem-2028	202	26	c13	c13	PROPN
eurjchem-2028	202	27	,	,	PUNCT
eurjchem-2028	202	28	c15	c15	PROPN
eurjchem-2028	202	29	,	,	PUNCT
eurjchem-2028	202	30	c11	c11	NOUN
eurjchem-2028	202	31	,	,	PUNCT
eurjchem-2028	202	32	o1	o1	NOUN
eurjchem-2028	202	33	,	,	PUNCT
eurjchem-2028	202	34	o3	o3	PROPN
eurjchem-2028	202	35	,	,	PUNCT
eurjchem-2028	202	36	o4	o4	PROPN
eurjchem-2028	202	37	,	,	PUNCT
eurjchem-2028	202	38	o5	o5	PROPN
eurjchem-2028	202	39	,	,	PUNCT
eurjchem-2028	202	40	n1	n1	PROPN
eurjchem-2028	202	41	,	,	PUNCT
eurjchem-2028	202	42	n4	n4	PROPN
eurjchem-2028	202	43	,	,	PUNCT
eurjchem-2028	202	44	s1	s1	PROPN
eurjchem-2028	202	45	,	,	PUNCT
eurjchem-2028	202	46	h4a	h4a	PROPN
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eurjchem-2028	202	48	h1	h1	PROPN
eurjchem-2028	202	49	are	be	AUX
eurjchem-2028	202	50	positive	positive	ADJ
eurjchem-2028	202	51	values	value	NOUN
eurjchem-2028	202	52	(	(	PUNCT
eurjchem-2028	202	53	i.e.	i.e.	X
eurjchem-2028	202	54	∆f(r	∆f(r	NOUN
eurjchem-2028	202	55	)	)	PUNCT
eurjchem-2028	202	56	>	>	X
eurjchem-2028	202	57	0	0	NUM
eurjchem-2028	202	58	)	)	PUNCT
eurjchem-2028	202	59	.	.	PUNCT
eurjchem-2028	203	1	similarly	similarly	ADV
eurjchem-2028	203	2	,	,	PUNCT
eurjchem-2028	203	3	the	the	DET
eurjchem-2028	203	4	electrophilic	electrophilic	ADJ
eurjchem-2028	203	5	site	site	NOUN
eurjchem-2028	203	6	is	be	AUX
eurjchem-2028	203	7	c10	c10	VERB
eurjchem-2028	203	8	,	,	PUNCT
eurjchem-2028	203	9	c12	c12	PROPN
eurjchem-2028	203	10	,	,	PUNCT
eurjchem-2028	203	11	c14	c14	PROPN
eurjchem-2028	203	12	,	,	PUNCT
eurjchem-2028	203	13	c2	c2	PROPN
eurjchem-2028	203	14	,	,	PUNCT
eurjchem-2028	203	15	c9	c9	NOUN
eurjchem-2028	203	16	,	,	PUNCT
eurjchem-2028	203	17	c19	c19	PROPN
eurjchem-2028	203	18	,	,	PUNCT
eurjchem-2028	203	19	c26	c26	NOUN
eurjchem-2028	203	20	,	,	PUNCT
eurjchem-2028	203	21	c17	c17	NOUN
eurjchem-2028	203	22	,	,	PUNCT
eurjchem-2028	203	23	n2	n2	NOUN
eurjchem-2028	203	24	,	,	PUNCT
eurjchem-2028	203	25	n3	n3	NOUN
eurjchem-2028	203	26	,	,	PUNCT
eurjchem-2028	203	27	o2	o2	ADJ
eurjchem-2028	203	28	,	,	PUNCT
eurjchem-2028	203	29	o6	o6	NOUN
eurjchem-2028	203	30	,	,	PUNCT
eurjchem-2028	203	31	h2	h2	NOUN
eurjchem-2028	203	32	,	,	PUNCT
eurjchem-2028	203	33	h3	h3	NOUN
eurjchem-2028	203	34	,	,	PUNCT
eurjchem-2028	203	35	h12	h12	NOUN
eurjchem-2028	203	36	and	and	CCONJ
eurjchem-2028	203	37	h15	h15	ADJ
eurjchem-2028	203	38	negative	negative	ADJ
eurjchem-2028	203	39	values	value	NOUN
eurjchem-2028	203	40	(	(	PUNCT
eurjchem-2028	203	41	i.e.	i.e.	X
eurjchem-2028	203	42	∆f(r	∆f(r	NOUN
eurjchem-2028	203	43	)	)	PUNCT
eurjchem-2028	203	44	<	<	X
eurjchem-2028	203	45	0	0	NUM
eurjchem-2028	203	46	)	)	PUNCT
eurjchem-2028	203	47	.	.	PUNCT
eurjchem-2028	204	1	4	4	X
eurjchem-2028	204	2	.	.	X
eurjchem-2028	204	3	conclusion	conclusion	NOUN
eurjchem-2028	204	4	in	in	ADP
eurjchem-2028	204	5	this	this	DET
eurjchem-2028	204	6	present	present	ADJ
eurjchem-2028	204	7	investigation	investigation	NOUN
eurjchem-2028	204	8	,	,	PUNCT
eurjchem-2028	204	9	the	the	DET
eurjchem-2028	204	10	synthesis	synthesis	NOUN
eurjchem-2028	204	11	and	and	CCONJ
eurjchem-2028	204	12	the	the	DET
eurjchem-2028	204	13	molecular	molecular	ADJ
eurjchem-2028	204	14	structure	structure	NOUN
eurjchem-2028	204	15	analysis	analysis	NOUN
eurjchem-2028	204	16	of	of	ADP
eurjchem-2028	204	17	3,3'-[(3	3,3'-[(3	NUM
eurjchem-2028	204	18	-	-	PUNCT
eurjchem-2028	204	19	benzimidazolyl	benzimidazolyl	ADJ
eurjchem-2028	204	20	)	)	PUNCT
eurjchem-2028	204	21	methyl	methyl	NOUN
eurjchem-2028	204	22	ene]bis(4	ene]bis(4	PROPN
eurjchem-2028	204	23	-	-	PUNCT
eurjchem-2028	204	24	hydroxy-2h-1	hydroxy-2h-1	NOUN
eurjchem-2028	204	25	-	-	PUNCT
eurjchem-2028	204	26	benzopyran-2	benzopyran-2	NOUN
eurjchem-2028	204	27	-	-	PUNCT
eurjchem-2028	204	28	one):5	one):5	ADP
eurjchem-2028	204	29	-	-	PUNCT
eurjchem-2028	204	30	methyl-1,3	methyl-1,3	NOUN
eurjchem-2028	204	31	-	-	PUNCT
eurjchem-2028	204	32	thia	thia	NOUN
eurjchem-2028	204	33	zol-2(3h)-imine	zol-2(3h)-imine	PROPN
eurjchem-2028	204	34	has	have	AUX
eurjchem-2028	204	35	been	be	AUX
eurjchem-2028	204	36	reported	report	VERB
eurjchem-2028	204	37	by	by	ADP
eurjchem-2028	204	38	x	x	NOUN
eurjchem-2028	204	39	-	-	NOUN
eurjchem-2028	204	40	ray	ray	NOUN
eurjchem-2028	204	41	crystallographic	crystallographic	ADJ
eurjchem-2028	204	42	techniques	technique	NOUN
eurjchem-2028	204	43	and	and	CCONJ
eurjchem-2028	204	44	nbo	nbo	NOUN
eurjchem-2028	204	45	,	,	PUNCT
eurjchem-2028	204	46	homo	homo	NOUN
eurjchem-2028	204	47	-	-	PUNCT
eurjchem-2028	204	48	lumo	lumo	NOUN
eurjchem-2028	204	49	,	,	PUNCT
eurjchem-2028	204	50	fukui	fukui	PROPN
eurjchem-2028	204	51	function	function	PROPN
eurjchem-2028	204	52	,	,	PUNCT
eurjchem-2028	204	53	atomic	atomic	ADJ
eurjchem-2028	204	54	net	net	ADJ
eurjchem-2028	204	55	charge	charge	NOUN
eurjchem-2028	204	56	analysis	analysis	NOUN
eurjchem-2028	204	57	by	by	ADP
eurjchem-2028	204	58	hf	hf	ADP
eurjchem-2028	204	59	and	and	CCONJ
eurjchem-2028	204	60	dft	dft	PROPN
eurjchem-2028	204	61	-	-	PUNCT
eurjchem-2028	204	62	b3lyp	b3lyp	NOUN
eurjchem-2028	204	63	methods	method	NOUN
eurjchem-2028	204	64	at	at	ADP
eurjchem-2028	204	65	6	6	NUM
eurjchem-2028	204	66	-	-	SYM
eurjchem-2028	204	67	311	311	NUM
eurjchem-2028	204	68	g	g	NOUN
eurjchem-2028	204	69	basis	basis	NOUN
eurjchem-2028	204	70	set	set	NOUN
eurjchem-2028	204	71	.	.	PUNCT
eurjchem-2028	205	1	in	in	ADP
eurjchem-2028	205	2	the	the	DET
eurjchem-2028	205	3	crystal	crystal	NOUN
eurjchem-2028	205	4	structure	structure	NOUN
eurjchem-2028	205	5	,	,	PUNCT
eurjchem-2028	205	6	the	the	DET
eurjchem-2028	205	7	presence	presence	NOUN
eurjchem-2028	205	8	of	of	ADP
eurjchem-2028	205	9	coumarine	coumarine	NOUN
eurjchem-2028	205	10	and	and	CCONJ
eurjchem-2028	205	11	5methyl-1,3	5methyl-1,3	NUM
eurjchem-2028	205	12	-	-	PUNCT
eurjchem-2028	205	13	thiazol-2(3h)-imine	thiazol-2(3h)-imine	NOUN
eurjchem-2028	205	14	promotes	promote	VERB
eurjchem-2028	205	15	the	the	DET
eurjchem-2028	205	16	formation	formation	NOUN
eurjchem-2028	205	17	of	of	ADP
eurjchem-2028	205	18	332	332	NUM
eurjchem-2028	205	19	sharm	sharm	PROPN
eurjchem-2028	205	20	et	et	PROPN
eurjchem-2028	205	21	al	al	PROPN
eurjchem-2028	205	22	.	.	PUNCT
eurjchem-2028	205	23	/	/	SYM
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eurjchem-2028	205	26	of	of	ADP
eurjchem-2028	205	27	chemistry	chemistry	NOUN
eurjchem-2028	205	28	11	11	NUM
eurjchem-2028	205	29	(	(	PUNCT
eurjchem-2028	205	30	4	4	NUM
eurjchem-2028	205	31	)	)	PUNCT
eurjchem-2028	205	32	(	(	PUNCT
eurjchem-2028	205	33	2020	2020	NUM
eurjchem-2028	205	34	)	)	PUNCT
eurjchem-2028	205	35	324	324	NUM
eurjchem-2028	205	36	-	-	SYM
eurjchem-2028	205	37	333	333	NUM
eurjchem-2028	205	38	2020	2020	NUM
eurjchem-2028	205	39	–	–	PUNCT
eurjchem-2028	205	40	european	european	ADJ
eurjchem-2028	205	41	journal	journal	NOUN
eurjchem-2028	205	42	of	of	ADP
eurjchem-2028	205	43	chemistry	chemistry	NOUN
eurjchem-2028	205	44	–	–	PUNCT
eurjchem-2028	205	45	cc	cc	NOUN
eurjchem-2028	205	46	by	by	ADP
eurjchem-2028	205	47	nc	nc	PROPN
eurjchem-2028	205	48	–	–	PUNCT
eurjchem-2028	205	49	doi	doi	NOUN
eurjchem-2028	205	50	:	:	PUNCT
eurjchem-2028	205	51	10.5155	10.5155	NUM
eurjchem-2028	205	52	/	/	SYM
eurjchem-2028	205	53	eurjchem.11.4.324	eurjchem.11.4.324	NUM
eurjchem-2028	205	54	-	-	PUNCT
eurjchem-2028	205	55	333.2028	333.2028	NUM
eurjchem-2028	205	56	intermolecular	intermolecular	ADJ
eurjchem-2028	205	57	hydrogen	hydrogen	NOUN
eurjchem-2028	205	58	bond	bond	NOUN
eurjchem-2028	205	59	network	network	NOUN
eurjchem-2028	205	60	.	.	PUNCT
eurjchem-2028	206	1	the	the	DET
eurjchem-2028	206	2	molecular	molecular	ADJ
eurjchem-2028	206	3	packing	packing	NOUN
eurjchem-2028	206	4	in	in	ADP
eurjchem-2028	206	5	the	the	DET
eurjchem-2028	206	6	unit	unit	NOUN
eurjchem-2028	206	7	cell	cell	NOUN
eurjchem-2028	206	8	is	be	AUX
eurjchem-2028	206	9	stabilized	stabilize	VERB
eurjchem-2028	206	10	via	via	ADP
eurjchem-2028	206	11	n	n	CCONJ
eurjchem-2028	206	12	–	–	PUNCT
eurjchem-2028	206	13	h⋅⋅⋅o	h⋅⋅⋅o	NOUN
eurjchem-2028	206	14	and	and	CCONJ
eurjchem-2028	206	15	c	c	NOUN
eurjchem-2028	206	16	–	–	PUNCT
eurjchem-2028	206	17	h⋅⋅⋅n	h⋅⋅⋅n	NOUN
eurjchem-2028	206	18	intermolecular	intermolecular	ADJ
eurjchem-2028	206	19	interactions	interaction	NOUN
eurjchem-2028	206	20	.	.	PUNCT
eurjchem-2028	207	1	the	the	DET
eurjchem-2028	207	2	computed	compute	VERB
eurjchem-2028	207	3	geometric	geometric	ADJ
eurjchem-2028	207	4	parameters	parameter	NOUN
eurjchem-2028	207	5	(	(	PUNCT
eurjchem-2028	207	6	bond	bond	NOUN
eurjchem-2028	207	7	length	length	NOUN
eurjchem-2028	207	8	,	,	PUNCT
eurjchem-2028	207	9	bond	bond	NOUN
eurjchem-2028	207	10	angle	angle	NOUN
eurjchem-2028	207	11	)	)	PUNCT
eurjchem-2028	207	12	have	have	AUX
eurjchem-2028	207	13	been	be	AUX
eurjchem-2028	207	14	compared	compare	VERB
eurjchem-2028	207	15	with	with	ADP
eurjchem-2028	207	16	their	their	PRON
eurjchem-2028	207	17	corresponding	corresponding	ADJ
eurjchem-2028	207	18	experimental	experimental	ADJ
eurjchem-2028	207	19	data	datum	NOUN
eurjchem-2028	207	20	.	.	PUNCT
eurjchem-2028	208	1	the	the	DET
eurjchem-2028	208	2	molecular	molecular	ADJ
eurjchem-2028	208	3	electrostatic	electrostatic	ADJ
eurjchem-2028	208	4	potential	potential	ADJ
eurjchem-2028	208	5	map	map	NOUN
eurjchem-2028	208	6	indicates	indicate	VERB
eurjchem-2028	208	7	that	that	SCONJ
eurjchem-2028	208	8	the	the	DET
eurjchem-2028	208	9	negative	negative	ADJ
eurjchem-2028	208	10	potential	potential	ADJ
eurjchem-2028	208	11	sites	site	NOUN
eurjchem-2028	208	12	are	be	AUX
eurjchem-2028	208	13	on	on	ADP
eurjchem-2028	208	14	electronegative	electronegative	ADJ
eurjchem-2028	208	15	atoms	atom	NOUN
eurjchem-2028	208	16	and	and	CCONJ
eurjchem-2028	208	17	the	the	DET
eurjchem-2028	208	18	positive	positive	ADJ
eurjchem-2028	208	19	potential	potential	ADJ
eurjchem-2028	208	20	sites	site	NOUN
eurjchem-2028	208	21	are	be	AUX
eurjchem-2028	208	22	around	around	ADP
eurjchem-2028	208	23	the	the	DET
eurjchem-2028	208	24	hydrogen	hydrogen	NOUN
eurjchem-2028	208	25	atoms	atom	NOUN
eurjchem-2028	208	26	.	.	PUNCT
eurjchem-2028	209	1	these	these	DET
eurjchem-2028	209	2	sites	site	NOUN
eurjchem-2028	209	3	provide	provide	VERB
eurjchem-2028	209	4	information	information	NOUN
eurjchem-2028	209	5	concerning	concern	VERB
eurjchem-2028	209	6	the	the	DET
eurjchem-2028	209	7	region	region	NOUN
eurjchem-2028	209	8	from	from	ADP
eurjchem-2028	209	9	where	where	SCONJ
eurjchem-2028	209	10	the	the	DET
eurjchem-2028	209	11	structure	structure	NOUN
eurjchem-2028	209	12	may	may	AUX
eurjchem-2028	209	13	result	result	VERB
eurjchem-2028	209	14	into	into	ADP
eurjchem-2028	209	15	the	the	DET
eurjchem-2028	209	16	formation	formation	NOUN
eurjchem-2028	209	17	of	of	ADP
eurjchem-2028	209	18	intraand	intraand	NOUN
eurjchem-2028	209	19	intermolecular	intermolecular	ADJ
eurjchem-2028	209	20	interactions	interaction	NOUN
eurjchem-2028	209	21	.	.	PUNCT
eurjchem-2028	210	1	acknowledgements	acknowledgement	NOUN
eurjchem-2028	210	2	rajni	rajni	PROPN
eurjchem-2028	210	3	kant	kant	PROPN
eurjchem-2028	210	4	acknowledges	acknowledge	VERB
eurjchem-2028	210	5	the	the	DET
eurjchem-2028	210	6	research	research	NOUN
eurjchem-2028	210	7	grants	grant	NOUN
eurjchem-2028	210	8	as	as	SCONJ
eurjchem-2028	210	9	sanctioned	sanction	VERB
eurjchem-2028	210	10	under	under	ADP
eurjchem-2028	210	11	rashtriya	rashtriya	PROPN
eurjchem-2028	210	12	uchchatar	uchchatar	PROPN
eurjchem-2028	210	13	shiksha	shiksha	PROPN
eurjchem-2028	210	14	abhiyan	abhiyan	PROPN
eurjchem-2028	210	15	(	(	PUNCT
eurjchem-2028	210	16	rusa	rusa	NOUN
eurjchem-2028	210	17	)	)	PUNCT
eurjchem-2028	210	18	2.0	2.0	NUM
eurjchem-2028	210	19	project	project	NOUN
eurjchem-2028	210	20	(	(	PUNCT
eurjchem-2028	210	21	ref	ref	NOUN
eurjchem-2028	210	22	.	.	PUNCT
eurjchem-2028	211	1	no	no	PRON
eurjchem-2028	211	2	:	:	PUNCT
eurjchem-2028	211	3	rusa	rusa	NOUN
eurjchem-2028	211	4	/	/	SYM
eurjchem-2028	211	5	ju/2/2019	ju/2/2019	PROPN
eurjchem-2028	211	6	-	-	PUNCT
eurjchem-2028	211	7	20/111/3588	20/111/3588	NUM
eurjchem-2028	211	8	-	-	PUNCT
eurjchem-2028	211	9	3636	3636	NUM
eurjchem-2028	211	10	)	)	PUNCT
eurjchem-2028	211	11	.	.	PUNCT
eurjchem-2028	212	1	supporting	support	VERB
eurjchem-2028	212	2	information	information	NOUN
eurjchem-2028	212	3	ccdc-1948179	ccdc-1948179	NOUN
eurjchem-2028	212	4	contains	contain	VERB
eurjchem-2028	212	5	the	the	DET
eurjchem-2028	212	6	supplementary	supplementary	ADJ
eurjchem-2028	212	7	crystallographic	crystallographic	ADJ
eurjchem-2028	212	8	data	datum	NOUN
eurjchem-2028	212	9	for	for	ADP
eurjchem-2028	212	10	this	this	DET
eurjchem-2028	212	11	paper	paper	NOUN
eurjchem-2028	212	12	.	.	PUNCT
eurjchem-2028	213	1	these	these	DET
eurjchem-2028	213	2	data	datum	NOUN
eurjchem-2028	213	3	can	can	AUX
eurjchem-2028	213	4	be	be	AUX
eurjchem-2028	213	5	obtained	obtain	VERB
eurjchem-2028	213	6	free	free	ADJ
eurjchem-2028	213	7	of	of	ADP
eurjchem-2028	213	8	charge	charge	NOUN
eurjchem-2028	213	9	via	via	ADP
eurjchem-2028	213	10	https://www.ccdc.cam.ac.uk/structures/	https://www.ccdc.cam.ac.uk/structures/	PROPN
eurjchem-2028	213	11	,	,	PUNCT
eurjchem-2028	213	12	or	or	CCONJ
eurjchem-2028	213	13	by	by	ADP
eurjchem-2028	213	14	emailing	email	VERB
eurjchem-2028	213	15	data_request@ccdc.cam.ac.uk	data_request@ccdc.cam.ac.uk	PROPN
eurjchem-2028	213	16	,	,	PUNCT
eurjchem-2028	213	17	or	or	CCONJ
eurjchem-2028	213	18	by	by	ADP
eurjchem-2028	213	19	contacting	contact	VERB
eurjchem-2028	213	20	the	the	DET
eurjchem-2028	213	21	cambridge	cambridge	PROPN
eurjchem-2028	213	22	crystallographic	crystallographic	PROPN
eurjchem-2028	213	23	data	data	PROPN
eurjchem-2028	213	24	centre	centre	NOUN
eurjchem-2028	213	25	,	,	PUNCT
eurjchem-2028	213	26	12	12	NUM
eurjchem-2028	213	27	union	union	NOUN
eurjchem-2028	213	28	road	road	NOUN
eurjchem-2028	213	29	,	,	PUNCT
eurjchem-2028	213	30	cambridge	cambridge	PROPN
eurjchem-2028	213	31	cb2	cb2	PROPN
eurjchem-2028	213	32	1ez	1ez	PROPN
eurjchem-2028	213	33	,	,	PUNCT
eurjchem-2028	213	34	uk	uk	PROPN
eurjchem-2028	213	35	;	;	PUNCT
eurjchem-2028	213	36	fax	fax	NOUN
eurjchem-2028	213	37	:	:	PUNCT
eurjchem-2028	213	38	+44(0)1223	+44(0)1223	PROPN
eurjchem-2028	213	39	-	-	PUNCT
eurjchem-2028	213	40	336033	336033	NUM
eurjchem-2028	213	41	.	.	PUNCT
eurjchem-2028	214	1	disclosure	disclosure	NOUN
eurjchem-2028	214	2	statement	statement	NOUN
eurjchem-2028	214	3	conflict	conflict	NOUN
eurjchem-2028	214	4	of	of	ADP
eurjchem-2028	214	5	interest	interest	NOUN
eurjchem-2028	214	6	:	:	PUNCT
eurjchem-2028	214	7	the	the	DET
eurjchem-2028	214	8	authors	author	NOUN
eurjchem-2028	214	9	declare	declare	VERB
eurjchem-2028	214	10	that	that	SCONJ
eurjchem-2028	214	11	they	they	PRON
eurjchem-2028	214	12	have	have	VERB
eurjchem-2028	214	13	no	no	DET
eurjchem-2028	214	14	conflict	conflict	NOUN
eurjchem-2028	214	15	of	of	ADP
eurjchem-2028	214	16	interest	interest	NOUN
eurjchem-2028	214	17	.	.	PUNCT
eurjchem-2028	215	1	author	author	NOUN
eurjchem-2028	215	2	contributions	contribution	NOUN
eurjchem-2028	215	3	:	:	PUNCT
eurjchem-2028	215	4	all	all	DET
eurjchem-2028	215	5	authors	author	NOUN
eurjchem-2028	215	6	contributed	contribute	VERB
eurjchem-2028	215	7	equally	equally	ADV
eurjchem-2028	215	8	to	to	ADP
eurjchem-2028	215	9	this	this	DET
eurjchem-2028	215	10	work	work	NOUN
eurjchem-2028	215	11	.	.	PUNCT
eurjchem-2028	216	1	ethical	ethical	ADJ
eurjchem-2028	216	2	approval	approval	NOUN
eurjchem-2028	216	3	:	:	PUNCT
eurjchem-2028	217	1	all	all	DET
eurjchem-2028	217	2	ethical	ethical	ADJ
eurjchem-2028	217	3	guidelines	guideline	NOUN
eurjchem-2028	217	4	have	have	AUX
eurjchem-2028	217	5	been	be	AUX
eurjchem-2028	217	6	adhered	adhere	VERB
eurjchem-2028	217	7	.	.	PUNCT
eurjchem-2028	218	1	sample	sample	NOUN
eurjchem-2028	218	2	availability	availability	NOUN
eurjchem-2028	218	3	:	:	PUNCT
eurjchem-2028	218	4	samples	sample	NOUN
eurjchem-2028	218	5	of	of	ADP
eurjchem-2028	218	6	the	the	DET
eurjchem-2028	218	7	compounds	compound	NOUN
eurjchem-2028	218	8	are	be	AUX
eurjchem-2028	218	9	available	available	ADJ
eurjchem-2028	218	10	from	from	ADP
eurjchem-2028	218	11	the	the	DET
eurjchem-2028	218	12	author	author	NOUN
eurjchem-2028	218	13	.	.	PUNCT
eurjchem-2028	219	1	orcid	orcid	PROPN
eurjchem-2028	219	2	gopal	gopal	PROPN
eurjchem-2028	219	3	sharma	sharma	PROPN
eurjchem-2028	219	4	http://orcid.org/0000-0003-4780-2804	http://orcid.org/0000-0003-4780-2804	PROPN
eurjchem-2028	219	5	anshul	anshul	PROPN
eurjchem-2028	219	6	uppal	uppal	PROPN
eurjchem-2028	219	7	http://orcid.org/0000-0001-8203-616x	http://orcid.org/0000-0001-8203-616x	PROPN
eurjchem-2028	219	8	sumati	sumati	ADJ
eurjchem-2028	219	9	anthal	anthal	ADP
eurjchem-2028	219	10	http://orcid.org/0000-0001-7947-7335	http://orcid.org/0000-0001-7947-7335	PROPN
eurjchem-2028	219	11	madhukar	madhukar	PROPN
eurjchem-2028	219	12	baburao	baburao	PROPN
eurjchem-2028	219	13	deshmukh	deshmukh	PROPN
eurjchem-2028	219	14	http://orcid.org/0000-0001-7097-2356	http://orcid.org/0000-0001-7097-2356	PROPN
eurjchem-2028	219	15	priyanka	priyanka	PROPN
eurjchem-2028	219	16	pandharinath	pandharinath	PROPN
eurjchem-2028	219	17	mohire	mohire	PROPN
eurjchem-2028	219	18	http://orcid.org/0000-0003-4644-1111	http://orcid.org/0000-0003-4644-1111	PROPN
eurjchem-2028	219	19	tanaji	tanaji	PROPN
eurjchem-2028	219	20	ramchandra	ramchandra	PROPN
eurjchem-2028	219	21	bhosale	bhosale	PROPN
eurjchem-2028	219	22	http://orcid.org/0000-0002-0372-7702	http://orcid.org/0000-0002-0372-7702	PROPN
eurjchem-2028	219	23	chellappanpillai	chellappanpillai	PROPN
eurjchem-2028	219	24	sudarsanakumar	sudarsanakumar	PROPN
eurjchem-2028	219	25	http://orcid.org/0000-0003-2750-7795	http://orcid.org/0000-0003-2750-7795	PROPN
eurjchem-2028	219	26	rajni	rajni	PROPN
eurjchem-2028	219	27	kant	kant	PROPN
eurjchem-2028	219	28	http://orcid.org/0000-0001-8043-2329	http://orcid.org/0000-0001-8043-2329	PROPN
eurjchem-2028	219	29	references	reference	VERB
eurjchem-2028	219	30	[	[	X
eurjchem-2028	219	31	1	1	NUM
eurjchem-2028	219	32	]	]	PUNCT
eurjchem-2028	219	33	.	.	PUNCT
eurjchem-2028	220	1	kontogiorgis	kontogiorgis	PROPN
eurjchem-2028	220	2	,	,	PUNCT
eurjchem-2028	220	3	c.	c.	PROPN
eurjchem-2028	220	4	;	;	PUNCT
eurjchem-2028	220	5	detsi	detsi	PROPN
eurjchem-2028	220	6	,	,	PUNCT
eurjchem-2028	220	7	a.	a.	NOUN
eurjchem-2028	220	8	;	;	PUNCT
eurjchem-2028	220	9	hadjipavlou	hadjipavlou	ADJ
eurjchem-2028	220	10	-	-	PUNCT
eurjchem-2028	220	11	litina	litina	PROPN
eurjchem-2028	220	12	,	,	PUNCT
eurjchem-2028	220	13	d.	d.	PROPN
eurjchem-2028	220	14	exp	exp	PROPN
eurjchem-2028	220	15	.	.	PUNCT
eurjchem-2028	221	1	opin	opin	NOUN
eurjchem-2028	221	2	.	.	PUNCT
eurjchem-2028	222	1	therap	therap	NOUN
eurjchem-2028	222	2	.	.	PUNCT
eurjchem-2028	223	1	pat	pat	PROPN
eurjchem-2028	223	2	.	.	PROPN
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eurjchem-2028	223	4	,	,	PUNCT
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eurjchem-2028	223	6	,	,	PUNCT
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eurjchem-2028	223	8	-	-	SYM
eurjchem-2028	223	9	454	454	NUM
eurjchem-2028	223	10	.	.	PUNCT
eurjchem-2028	224	1	[	[	X
eurjchem-2028	224	2	2	2	NUM
eurjchem-2028	224	3	]	]	PUNCT
eurjchem-2028	224	4	.	.	PUNCT
eurjchem-2028	225	1	kostova	kostova	PROPN
eurjchem-2028	225	2	,	,	PUNCT
eurjchem-2028	225	3	i.	i.	PROPN
eurjchem-2028	225	4	curr	curr	PROPN
eurjchem-2028	225	5	.	.	PUNCT
eurjchem-2028	226	1	med	med	PROPN
eurjchem-2028	226	2	.	.	PROPN
eurjchem-2028	226	3	chem	chem	PROPN
eurjchem-2028	226	4	.	.	PUNCT
eurjchem-2028	227	1	anti	anti	ADJ
eurjchem-2028	227	2	-	-	ADJ
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eurjchem-2028	227	4	agents	agent	NOUN
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eurjchem-2028	227	6	,	,	PUNCT
eurjchem-2028	227	7	5	5	NUM
eurjchem-2028	227	8	,	,	PUNCT
eurjchem-2028	227	9	29	29	NUM
eurjchem-2028	227	10	-	-	SYM
eurjchem-2028	227	11	46	46	NUM
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eurjchem-2028	228	1	[	[	X
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eurjchem-2028	228	3	]	]	PUNCT
eurjchem-2028	228	4	.	.	PUNCT
eurjchem-2028	229	1	weinmann	weinmann	PROPN
eurjchem-2028	229	2	,	,	PUNCT
eurjchem-2028	229	3	i.	i.	PROPN
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eurjchem-2028	229	5	:	:	PUNCT
eurjchem-2028	229	6	biology	biology	NOUN
eurjchem-2028	229	7	,	,	PUNCT
eurjchem-2028	229	8	applications	application	NOUN
eurjchem-2028	229	9	and	and	CCONJ
eurjchem-2028	229	10	mode	mode	NOUN
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eurjchem-2028	229	12	action	action	NOUN
eurjchem-2028	229	13	,	,	PUNCT
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eurjchem-2028	229	16	&	&	CCONJ
eurjchem-2028	229	17	sons	sons	PROPN
eurjchem-2028	229	18	,	,	PUNCT
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eurjchem-2028	229	20	,	,	PUNCT
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eurjchem-2028	230	1	1	1	NUM
eurjchem-2028	230	2	-	-	SYM
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eurjchem-2028	230	4	.	.	PUNCT
eurjchem-2028	231	1	[	[	X
eurjchem-2028	231	2	4	4	NUM
eurjchem-2028	231	3	]	]	PUNCT
eurjchem-2028	231	4	.	.	PUNCT
eurjchem-2028	232	1	saeed	saeed	PROPN
eurjchem-2028	232	2	,	,	PUNCT
eurjchem-2028	232	3	a.	a.	NOUN
eurjchem-2028	232	4	;	;	PUNCT
eurjchem-2028	232	5	ashraf	ashraf	PROPN
eurjchem-2028	232	6	,	,	PUNCT
eurjchem-2028	232	7	s.	s.	PROPN
eurjchem-2028	232	8	;	;	PUNCT
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eurjchem-2028	232	10	,	,	PUNCT
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eurjchem-2028	232	12	;	;	PUNCT
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eurjchem-2028	300	2	,	,	PUNCT
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eurjchem-2028	312	2	,	,	PUNCT
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eurjchem-2028	318	2	(	(	PUNCT
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eurjchem-2028	346	40	j.	j.	PROPN
eurjchem-2028	346	41	a.	a.	PROPN
eurjchem-2028	346	42	;	;	PUNCT
eurjchem-2028	346	43	vreven	vreven	VERB
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eurjchem-2028	346	45	t.	t.	PROPN
eurjchem-2028	346	46	;	;	PUNCT
eurjchem-2028	346	47	kudin	kudin	PROPN
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eurjchem-2028	346	49	k.	k.	PROPN
eurjchem-2028	346	50	n.	n.	PROPN
eurjchem-2028	346	51	;	;	PUNCT
eurjchem-2028	346	52	burant	burant	PROPN
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eurjchem-2028	346	54	j.	j.	PROPN
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eurjchem-2028	346	56	;	;	PUNCT
eurjchem-2028	346	57	millam	millam	PROPN
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eurjchem-2028	346	59	j.	j.	PROPN
eurjchem-2028	346	60	m.	m.	PROPN
eurjchem-2028	346	61	;	;	PUNCT
eurjchem-2028	346	62	iyengar	iyengar	PROPN
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eurjchem-2028	346	64	s.	s.	PROPN
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eurjchem-2028	346	66	;	;	PUNCT
eurjchem-2028	346	67	tomasi	tomasi	PROPN
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eurjchem-2028	346	69	j.	j.	PROPN
eurjchem-2028	346	70	;	;	PUNCT
eurjchem-2028	346	71	barone	barone	PROPN
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eurjchem-2028	346	73	v.	v.	PROPN
eurjchem-2028	346	74	;	;	PUNCT
eurjchem-2028	346	75	mennucci	mennucci	PROPN
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eurjchem-2028	346	77	b.	b.	PROPN
eurjchem-2028	346	78	;	;	PUNCT
eurjchem-2028	346	79	cossi	cossi	PROPN
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eurjchem-2028	346	81	m.	m.	NOUN
eurjchem-2028	346	82	;	;	PUNCT
eurjchem-2028	346	83	scalmani	scalmani	PROPN
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eurjchem-2028	346	85	g.	g.	PROPN
eurjchem-2028	346	86	;	;	PUNCT
eurjchem-2028	346	87	rega	rega	PROPN
eurjchem-2028	346	88	,	,	PUNCT
eurjchem-2028	346	89	n.	n.	NOUN
eurjchem-2028	346	90	;	;	PUNCT
eurjchem-2028	346	91	petersson	petersson	PROPN
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eurjchem-2028	346	93	g.	g.	PROPN
eurjchem-2028	346	94	a.	a.	PROPN
eurjchem-2028	346	95	;	;	PUNCT
eurjchem-2028	346	96	nakatsuji	nakatsuji	PROPN
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eurjchem-2028	346	98	h.	h.	PROPN
eurjchem-2028	346	99	;	;	PUNCT
eurjchem-2028	346	100	hada	hada	PROPN
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eurjchem-2028	346	102	m.	m.	NOUN
eurjchem-2028	346	103	;	;	PUNCT
eurjchem-2028	346	104	ehara	ehara	PROPN
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eurjchem-2028	346	106	m.	m.	NOUN
eurjchem-2028	346	107	;	;	PUNCT
eurjchem-2028	346	108	toyota	toyota	PROPN
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eurjchem-2028	346	110	k.	k.	PROPN
eurjchem-2028	346	111	;	;	PUNCT
eurjchem-2028	346	112	fukuda	fukuda	PROPN
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eurjchem-2028	346	114	r.	r.	PROPN
eurjchem-2028	346	115	;	;	PUNCT
eurjchem-2028	346	116	hasegawa	hasegawa	PROPN
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eurjchem-2028	346	118	j.	j.	PROPN
eurjchem-2028	346	119	;	;	PUNCT
eurjchem-2028	346	120	ishida	ishida	PROPN
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eurjchem-2028	346	122	m.	m.	NOUN
eurjchem-2028	346	123	;	;	PUNCT
eurjchem-2028	346	124	nakajima	nakajima	PROPN
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eurjchem-2028	346	126	t.	t.	PROPN
eurjchem-2028	346	127	;	;	PUNCT
eurjchem-2028	346	128	honda	honda	NOUN
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eurjchem-2028	346	130	y.	y.	PROPN
eurjchem-2028	346	131	;	;	PUNCT
eurjchem-2028	346	132	kitao	kitao	PROPN
eurjchem-2028	346	133	,	,	PUNCT
eurjchem-2028	346	134	o.	o.	PROPN
eurjchem-2028	346	135	;	;	PUNCT
eurjchem-2028	346	136	nakai	nakai	PROPN
eurjchem-2028	346	137	,	,	PUNCT
eurjchem-2028	346	138	h.	h.	PROPN
eurjchem-2028	346	139	;	;	PUNCT
eurjchem-2028	346	140	klene	klene	PROPN
eurjchem-2028	346	141	,	,	PUNCT
eurjchem-2028	346	142	m.	m.	NOUN
eurjchem-2028	346	143	;	;	PUNCT
eurjchem-2028	346	144	li	li	PROPN
eurjchem-2028	346	145	,	,	PUNCT
eurjchem-2028	346	146	x.	x.	PROPN
eurjchem-2028	346	147	;	;	PUNCT
eurjchem-2028	346	148	knox	knox	PROPN
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eurjchem-2028	346	150	j.	j.	PROPN
eurjchem-2028	346	151	e.	e.	PROPN
eurjchem-2028	346	152	;	;	PUNCT
eurjchem-2028	346	153	p.	p.	PROPN
eurjchem-2028	346	154	hratchian	hratchian	PROPN
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eurjchem-2028	346	156	h.	h.	PROPN
eurjchem-2028	346	157	;	;	PUNCT
eurjchem-2028	346	158	cross	cross	PROPN
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eurjchem-2028	346	160	j.	j.	PROPN
eurjchem-2028	346	161	b.	b.	PROPN
eurjchem-2028	346	162	;	;	PUNCT
eurjchem-2028	346	163	adamo	adamo	PROPN
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eurjchem-2028	346	165	c.	c.	PROPN
eurjchem-2028	346	166	;	;	PUNCT
eurjchem-2028	346	167	jaramillo	jaramillo	PROPN
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eurjchem-2028	346	169	j.	j.	PROPN
eurjchem-2028	346	170	;	;	PUNCT
eurjchem-2028	346	171	gomperts	gomperts	PROPN
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eurjchem-2028	346	173	r.	r.	PROPN
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eurjchem-2028	346	175	stratmann	stratmann	PROPN
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eurjchem-2028	346	177	r.	r.	PROPN
eurjchem-2028	346	178	e.	e.	PROPN
eurjchem-2028	346	179	;	;	PUNCT
eurjchem-2028	346	180	yazyev	yazyev	PROPN
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eurjchem-2028	346	182	o.	o.	PROPN
eurjchem-2028	346	183	;	;	PUNCT
eurjchem-2028	346	184	austin	austin	PROPN
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eurjchem-2028	346	186	a.	a.	PROPN
eurjchem-2028	346	187	j.	j.	PROPN
eurjchem-2028	346	188	;	;	PUNCT
eurjchem-2028	346	189	cammi	cammi	PROPN
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eurjchem-2028	346	191	r.	r.	PROPN
eurjchem-2028	346	192	;	;	PUNCT
eurjchem-2028	346	193	pomelli	pomelli	PROPN
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eurjchem-2028	346	196	;	;	PUNCT
eurjchem-2028	346	197	ochterski	ochterski	PROPN
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eurjchem-2028	346	199	j.	j.	PROPN
eurjchem-2028	346	200	w.	w.	PROPN
eurjchem-2028	346	201	;	;	PUNCT
eurjchem-2028	346	202	ayala	ayala	PROPN
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eurjchem-2028	346	204	p.	p.	PROPN
eurjchem-2028	346	205	y.	y.	PROPN
eurjchem-2028	346	206	;	;	PUNCT
eurjchem-2028	346	207	morokuma	morokuma	PROPN
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eurjchem-2028	346	209	k.	k.	PROPN
eurjchem-2028	346	210	;	;	PUNCT
eurjchem-2028	346	211	voth	voth	PROPN
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eurjchem-2028	346	213	g.	g.	PROPN
eurjchem-2028	346	214	a.	a.	PROPN
eurjchem-2028	346	215	;	;	PUNCT
eurjchem-2028	346	216	salvador	salvador	PROPN
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eurjchem-2028	346	218	p.	p.	PROPN
eurjchem-2028	346	219	;	;	PUNCT
eurjchem-2028	346	220	dannenberg	dannenberg	PROPN
eurjchem-2028	346	221	,	,	PUNCT
eurjchem-2028	346	222	j.	j.	PROPN
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eurjchem-2028	346	224	;	;	PUNCT
eurjchem-2028	346	225	zakrzewski	zakrzewski	PROPN
eurjchem-2028	346	226	,	,	PUNCT
eurjchem-2028	346	227	v.	v.	PROPN
eurjchem-2028	346	228	g.	g.	PROPN
eurjchem-2028	346	229	;	;	PUNCT
eurjchem-2028	346	230	dapprich	dapprich	PROPN
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eurjchem-2028	346	232	s.	s.	PROPN
eurjchem-2028	346	233	;	;	PUNCT
eurjchem-2028	346	234	daniels	daniels	PROPN
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eurjchem-2028	346	236	a.	a.	PROPN
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eurjchem-2028	346	238	;	;	PUNCT
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eurjchem-2028	346	241	m.	m.	NOUN
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eurjchem-2028	346	244	farkas	farkas	PROPN
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eurjchem-2028	346	246	o.	o.	PROPN
eurjchem-2028	346	247	;	;	PUNCT
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eurjchem-2028	346	250	d.	d.	PROPN
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eurjchem-2028	346	252	;	;	PUNCT
eurjchem-2028	346	253	rabuck	rabuck	VERB
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eurjchem-2028	346	255	a.	a.	PROPN
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eurjchem-2028	346	257	;	;	PUNCT
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eurjchem-2028	346	260	k.	k.	PROPN
eurjchem-2028	346	261	;	;	PUNCT
eurjchem-2028	346	262	foresman	foresman	PROPN
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eurjchem-2028	346	264	j.	j.	PROPN
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eurjchem-2028	346	266	;	;	PUNCT
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eurjchem-2028	346	275	;	;	PUNCT
eurjchem-2028	346	276	baboul	baboul	ADJ
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eurjchem-2028	346	291	b.	b.	PROPN
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eurjchem-2028	347	27	;	;	PUNCT
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eurjchem-2028	348	1	[	[	X
eurjchem-2028	348	2	36	36	NUM
eurjchem-2028	348	3	]	]	PUNCT
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eurjchem-2028	349	10	;	;	PUNCT
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eurjchem-2028	349	28	;	;	PUNCT
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eurjchem-2028	355	2	.	.	PUNCT
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eurjchem-2028	370	2	.	.	PUNCT
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eurjchem-2028	384	24	(	(	PUNCT
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eurjchem-2028	421	15	thiazol-2(3h)-imine	thiazol-2(3h)-imine	NOUN
eurjchem-2028	421	16	2.3	2.3	NUM
eurjchem-2028	421	17	.	.	PUNCT
eurjchem-2028	422	1	crystal	crystal	NOUN
eurjchem-2028	422	2	structure	structure	NOUN
eurjchem-2028	422	3	determination	determination	NOUN
eurjchem-2028	422	4	and	and	CCONJ
eurjchem-2028	422	5	refinement	refinement	NOUN
eurjchem-2028	422	6	2.4	2.4	NUM
eurjchem-2028	422	7	.	.	PUNCT
eurjchem-2028	423	1	theoretical	theoretical	ADJ
eurjchem-2028	423	2	calculation	calculation	NOUN
eurjchem-2028	423	3	3	3	NUM
eurjchem-2028	423	4	.	.	NOUN
eurjchem-2028	423	5	results	result	NOUN
eurjchem-2028	423	6	and	and	CCONJ
eurjchem-2028	423	7	discussion	discussion	NOUN
eurjchem-2028	423	8	3.1	3.1	NUM
eurjchem-2028	423	9	.	.	PUNCT
eurjchem-2028	424	1	single	single	ADJ
eurjchem-2028	424	2	crystal	crystal	NOUN
eurjchem-2028	424	3	structure	structure	NOUN
eurjchem-2028	424	4	analysis	analysis	NOUN
eurjchem-2028	424	5	3.2	3.2	NUM
eurjchem-2028	424	6	.	.	PUNCT
eurjchem-2028	425	1	theoretical	theoretical	ADJ
eurjchem-2028	425	2	calculation	calculation	NOUN
eurjchem-2028	425	3	3.2.1	3.2.1	NUM
eurjchem-2028	425	4	.	.	PUNCT
eurjchem-2028	426	1	molecular	molecular	ADJ
eurjchem-2028	426	2	geometry	geometry	NOUN
eurjchem-2028	426	3	3.2.2	3.2.2	NUM
eurjchem-2028	426	4	.	.	PUNCT
eurjchem-2028	427	1	molecular	molecular	ADJ
eurjchem-2028	427	2	electrostatic	electrostatic	ADJ
eurjchem-2028	427	3	potential	potential	NOUN
eurjchem-2028	427	4	(	(	PUNCT
eurjchem-2028	427	5	mep	mep	PROPN
eurjchem-2028	427	6	)	)	PUNCT
eurjchem-2028	427	7	3.2.3	3.2.3	NUM
eurjchem-2028	427	8	.	.	PUNCT
eurjchem-2028	427	9	homo	homo	NOUN
eurjchem-2028	427	10	-	-	PUNCT
eurjchem-2028	427	11	lumo	lumo	NOUN
eurjchem-2028	427	12	analysis	analysis	NOUN
eurjchem-2028	427	13	3.2.4	3.2.4	NUM
eurjchem-2028	427	14	.	.	PUNCT
eurjchem-2028	428	1	atomic	atomic	ADJ
eurjchem-2028	428	2	net	net	ADJ
eurjchem-2028	428	3	charges	charge	NOUN
eurjchem-2028	428	4	3.2.5	3.2.5	NUM
eurjchem-2028	428	5	.	.	PUNCT
eurjchem-2028	428	6	natural	natural	ADJ
eurjchem-2028	428	7	bond	bond	NOUN
eurjchem-2028	428	8	orbital	orbital	ADJ
eurjchem-2028	428	9	analysis	analysis	NOUN
eurjchem-2028	428	10	3.2.6	3.2.6	NUM
eurjchem-2028	428	11	.	.	PUNCT
eurjchem-2028	429	1	fukui	fukui	PROPN
eurjchem-2028	429	2	function	function	PROPN
eurjchem-2028	429	3	4	4	NUM
eurjchem-2028	429	4	.	.	PUNCT
eurjchem-2028	430	1	conclusion	conclusion	NOUN
eurjchem-2028	430	2	acknowledgements	acknowledgement	NOUN
eurjchem-2028	430	3	supporting	support	VERB
eurjchem-2028	430	4	information	information	NOUN
eurjchem-2028	430	5	disclosure	disclosure	NOUN
eurjchem-2028	430	6	statement	statement	NOUN
eurjchem-2028	430	7	orcid	orcid	PROPN
eurjchem-2028	430	8	references	reference	NOUN
eurjchem-2028	430	9	printfield10	printfield10	NOUN
eurjchem-2028	430	10	:	:	PUNCT
eurjchem-2028	430	11	printfield11	printfield11	NOUN
eurjchem-2028	430	12	:	:	PUNCT
eurjchem-2028	430	13	printfield12	printfield12	PROPN
eurjchem-2028	430	14	:	:	PUNCT
eurjchem-2028	430	15	printfield13	printfield13	VERB
eurjchem-2028	430	16	:	:	PUNCT
eurjchem-2028	430	17	printfield14	printfield14	NOUN
eurjchem-2028	430	18	:	:	PUNCT
eurjchem-2028	430	19	printfield15	printfield15	NOUN
eurjchem-2028	430	20	:	:	PUNCT
eurjchem-2028	430	21	printfield16	printfield16	ADJ
eurjchem-2028	430	22	:	:	PUNCT
eurjchem-2028	430	23	printfield17	printfield17	NOUN
eurjchem-2028	430	24	:	:	PUNCT
eurjchem-2028	430	25	printfield18	printfield18	NOUN
eurjchem-2028	430	26	:	:	PUNCT
eurjchem-2028	430	27	printfield19	printfield19	NOUN
eurjchem-2028	430	28	:	:	PUNCT
eurjchem-2028	430	29	printfield20	printfield20	PROPN
eurjchem-2028	430	30	:	:	PUNCT
eurjchem-2028	430	31	printfield21	printfield21	ADJ
eurjchem-2028	430	32	:	:	PUNCT
eurjchem-2028	430	33	printfield22	printfield22	NOUN
eurjchem-2028	430	34	:	:	PUNCT
eurjchem-2028	430	35	printfield23	printfield23	NOUN
eurjchem-2028	430	36	:	:	PUNCT
eurjchem-2028	430	37	printfield24	printfield24	NOUN
eurjchem-2028	430	38	:	:	PUNCT
eurjchem-2028	430	39	printfield25	printfield25	NOUN
eurjchem-2028	430	40	:	:	PUNCT
eurjchem-2028	430	41	printfield26	printfield26	ADJ
eurjchem-2028	430	42	:	:	PUNCT
eurjchem-2028	430	43	printfield27	printfield27	NOUN
eurjchem-2028	430	44	:	:	PUNCT
eurjchem-2028	430	45	printfield28	printfield28	NOUN
eurjchem-2028	430	46	:	:	PUNCT
eurjchem-2028	430	47	printfield29	printfield29	ADV
eurjchem-2028	430	48	:	:	PUNCT