id	sid	tid	token	lemma	pos
eurjchem-2634	1	1	theoretical	theoretical	ADJ
eurjchem-2634	1	2	insights	insight	NOUN
eurjchem-2634	1	3	into	into	ADP
eurjchem-2634	1	4	the	the	DET
eurjchem-2634	1	5	structural	structural	ADJ
eurjchem-2634	1	6	,	,	PUNCT
eurjchem-2634	1	7	spectroscopic	spectroscopic	NOUN
eurjchem-2634	1	8	,	,	PUNCT
eurjchem-2634	1	9	solvent	solvent	ADJ
eurjchem-2634	1	10	effect	effect	NOUN
eurjchem-2634	1	11	,	,	PUNCT
eurjchem-2634	1	12	reactivity	reactivity	NOUN
eurjchem-2634	1	13	,	,	PUNCT
eurjchem-2634	1	14	nci	nci	PROPN
eurjchem-2634	1	15	,	,	PUNCT
eurjchem-2634	1	16	and	and	CCONJ
eurjchem-2634	1	17	nlo	nlo	PROPN
eurjchem-2634	1	18	analyses	analysis	NOUN
eurjchem-2634	1	19	of	of	ADP
eurjchem-2634	1	20	5,7	5,7	NUM
eurjchem-2634	1	21	-	-	PUNCT
eurjchem-2634	1	22	dichloro-8	dichloro-8	VERB
eurjchem-2634	1	23	-	-	PUNCT
eurjchem-2634	1	24	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	1	25	-	-	PUNCT
eurjchem-2634	1	26	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	1	27	european	european	PROPN
eurjchem-2634	1	28	journal	journal	PROPN
eurjchem-2634	1	29	of	of	ADP
eurjchem-2634	1	30	chemistry	chemistry	NOUN
eurjchem-2634	1	31	16	16	NUM
eurjchem-2634	1	32	(	(	PUNCT
eurjchem-2634	1	33	1	1	NUM
eurjchem-2634	1	34	)	)	PUNCT
eurjchem-2634	1	35	(	(	PUNCT
eurjchem-2634	1	36	2025	2025	NUM
eurjchem-2634	1	37	)	)	PUNCT
eurjchem-2634	1	38	70	70	NUM
eurjchem-2634	1	39	-	-	SYM
eurjchem-2634	1	40	82	82	NUM
eurjchem-2634	1	41	european	european	PROPN
eurjchem-2634	1	42	journal	journal	PROPN
eurjchem-2634	1	43	of	of	ADP
eurjchem-2634	1	44	chemistry	chemistry	NOUN
eurjchem-2634	1	45	issn	issn	VERB
eurjchem-2634	1	46	2153	2153	NUM
eurjchem-2634	1	47	-	-	SYM
eurjchem-2634	1	48	2249	2249	NUM
eurjchem-2634	1	49	(	(	PUNCT
eurjchem-2634	1	50	print	print	NOUN
eurjchem-2634	1	51	)	)	PUNCT
eurjchem-2634	1	52	/	/	PUNCT
eurjchem-2634	1	53	issn	issn	PROPN
eurjchem-2634	1	54	2153	2153	NUM
eurjchem-2634	1	55	-	-	SYM
eurjchem-2634	1	56	2257	2257	NUM
eurjchem-2634	1	57	(	(	PUNCT
eurjchem-2634	1	58	online	online	ADJ
eurjchem-2634	1	59	)	)	PUNCT
eurjchem-2634	1	60	–	–	PUNCT
eurjchem-2634	2	1	copyright	copyright	NOUN
eurjchem-2634	2	2	©	©	PROPN
eurjchem-2634	2	3	2025	2025	NUM
eurjchem-2634	2	4	the	the	DET
eurjchem-2634	2	5	authors	author	NOUN
eurjchem-2634	2	6	–	–	PUNCT
eurjchem-2634	2	7	atlanta	atlanta	PROPN
eurjchem-2634	2	8	publishing	publishing	PROPN
eurjchem-2634	2	9	house	house	PROPN
eurjchem-2634	2	10	llc	llc	PROPN
eurjchem-2634	2	11	–	–	PUNCT
eurjchem-2634	2	12	printed	print	VERB
eurjchem-2634	2	13	in	in	ADP
eurjchem-2634	2	14	the	the	DET
eurjchem-2634	2	15	usa	usa	PROPN
eurjchem-2634	2	16	.	.	PUNCT
eurjchem-2634	3	1	this	this	DET
eurjchem-2634	3	2	work	work	NOUN
eurjchem-2634	3	3	is	be	AUX
eurjchem-2634	3	4	published	publish	VERB
eurjchem-2634	3	5	and	and	CCONJ
eurjchem-2634	3	6	licensed	license	VERB
eurjchem-2634	3	7	by	by	ADP
eurjchem-2634	3	8	atlanta	atlanta	PROPN
eurjchem-2634	3	9	publishing	publishing	PROPN
eurjchem-2634	3	10	house	house	PROPN
eurjchem-2634	3	11	llc	llc	PROPN
eurjchem-2634	3	12	–	–	PUNCT
eurjchem-2634	3	13	cc	cc	PROPN
eurjchem-2634	3	14	by	by	ADP
eurjchem-2634	3	15	nc	nc	PROPN
eurjchem-2634	3	16	–	–	PUNCT
eurjchem-2634	3	17	some	some	DET
eurjchem-2634	3	18	rights	right	NOUN
eurjchem-2634	3	19	reserved	reserve	VERB
eurjchem-2634	3	20	.	.	PUNCT
eurjchem-2634	4	1	https://dx.doi.org/10.5155/eurjchem.16.1.70-82.2634	https://dx.doi.org/10.5155/eurjchem.16.1.70-82.2634	PROPN
eurjchem-2634	4	2	european	european	PROPN
eurjchem-2634	4	3	journal	journal	PROPN
eurjchem-2634	4	4	of	of	ADP
eurjchem-2634	4	5	chemistry	chemistry	NOUN
eurjchem-2634	4	6	view	view	NOUN
eurjchem-2634	4	7	journal	journal	PROPN
eurjchem-2634	4	8	online	online	PROPN
eurjchem-2634	4	9	view	view	NOUN
eurjchem-2634	4	10	article	article	NOUN
eurjchem-2634	4	11	online	online	ADJ
eurjchem-2634	4	12	theoretical	theoretical	ADJ
eurjchem-2634	4	13	insights	insight	NOUN
eurjchem-2634	4	14	into	into	ADP
eurjchem-2634	4	15	the	the	DET
eurjchem-2634	4	16	structural	structural	ADJ
eurjchem-2634	4	17	,	,	PUNCT
eurjchem-2634	4	18	spectroscopic	spectroscopic	NOUN
eurjchem-2634	4	19	,	,	PUNCT
eurjchem-2634	4	20	solvent	solvent	ADJ
eurjchem-2634	4	21	effect	effect	NOUN
eurjchem-2634	4	22	,	,	PUNCT
eurjchem-2634	4	23	reactivity	reactivity	NOUN
eurjchem-2634	4	24	,	,	PUNCT
eurjchem-2634	4	25	nci	nci	PROPN
eurjchem-2634	4	26	,	,	PUNCT
eurjchem-2634	4	27	and	and	CCONJ
eurjchem-2634	4	28	nlo	nlo	PROPN
eurjchem-2634	4	29	analyses	analysis	NOUN
eurjchem-2634	4	30	of	of	ADP
eurjchem-2634	4	31	5,7	5,7	NUM
eurjchem-2634	4	32	-	-	PUNCT
eurjchem-2634	4	33	dichloro-8	dichloro-8	VERB
eurjchem-2634	4	34	-	-	PUNCT
eurjchem-2634	4	35	hydroxyquinoline-2carbaldehyde	hydroxyquinoline-2carbaldehyde	NOUN
eurjchem-2634	4	36	ceyhun	ceyhun	NOUN
eurjchem-2634	4	37	kucuk	kucuk	NOUN
eurjchem-2634	4	38	*	*	PUNCT
eurjchem-2634	4	39	ahmet	ahmet	PROPN
eurjchem-2634	4	40	erdogan	erdogan	ADJ
eurjchem-2634	4	41	vocational	vocational	ADJ
eurjchem-2634	4	42	school	school	PROPN
eurjchem-2634	4	43	of	of	ADP
eurjchem-2634	4	44	health	health	NOUN
eurjchem-2634	4	45	services	service	NOUN
eurjchem-2634	4	46	,	,	PUNCT
eurjchem-2634	4	47	zonguldak	zonguldak	PROPN
eurjchem-2634	4	48	bulent	bulent	PROPN
eurjchem-2634	4	49	ecevit	ecevit	PROPN
eurjchem-2634	4	50	univerity	univerity	PROPN
eurjchem-2634	4	51	,	,	PUNCT
eurjchem-2634	4	52	zonguldak	zonguldak	PROPN
eurjchem-2634	4	53	,	,	PUNCT
eurjchem-2634	4	54	turkey	turkey	NOUN
eurjchem-2634	4	55	*	*	PUNCT
eurjchem-2634	4	56	corresponding	correspond	VERB
eurjchem-2634	4	57	author	author	NOUN
eurjchem-2634	4	58	at	at	ADP
eurjchem-2634	4	59	:	:	PUNCT
eurjchem-2634	4	60	ahmet	ahmet	PROPN
eurjchem-2634	4	61	erdogan	erdogan	PROPN
eurjchem-2634	4	62	vocational	vocational	ADJ
eurjchem-2634	4	63	school	school	PROPN
eurjchem-2634	4	64	of	of	ADP
eurjchem-2634	4	65	health	health	NOUN
eurjchem-2634	4	66	services	service	NOUN
eurjchem-2634	4	67	,	,	PUNCT
eurjchem-2634	4	68	zonguldak	zonguldak	PROPN
eurjchem-2634	4	69	bulent	bulent	PROPN
eurjchem-2634	4	70	ecevit	ecevit	PROPN
eurjchem-2634	4	71	univerity	univerity	PROPN
eurjchem-2634	4	72	,	,	PUNCT
eurjchem-2634	4	73	zonguldak	zonguldak	PROPN
eurjchem-2634	4	74	,	,	PUNCT
eurjchem-2634	4	75	turkey	turkey	NOUN
eurjchem-2634	4	76	.	.	PUNCT
eurjchem-2634	5	1	e	e	X
eurjchem-2634	5	2	-	-	NOUN
eurjchem-2634	5	3	mail	mail	NOUN
eurjchem-2634	5	4	:	:	PUNCT
eurjchem-2634	5	5	ceyhun.kucuk@beun.edu.tr	ceyhun.kucuk@beun.edu.tr	PROPN
eurjchem-2634	5	6	(	(	PUNCT
eurjchem-2634	5	7	c.	c.	PROPN
eurjchem-2634	5	8	kucuk	kucuk	PROPN
eurjchem-2634	5	9	)	)	PUNCT
eurjchem-2634	5	10	.	.	PUNCT
eurjchem-2634	6	1	10.5155	10.5155	NUM
eurjchem-2634	6	2	/	/	SYM
eurjchem-2634	6	3	eurjchem.16.1.70	eurjchem.16.1.70	SYM
eurjchem-2634	6	4	-	-	PUNCT
eurjchem-2634	6	5	82.2634	82.2634	NUM
eurjchem-2634	6	6	received	receive	VERB
eurjchem-2634	6	7	:	:	PUNCT
eurjchem-2634	6	8	7	7	NUM
eurjchem-2634	6	9	january	january	NOUN
eurjchem-2634	6	10	2025	2025	NUM
eurjchem-2634	6	11	received	receive	VERB
eurjchem-2634	6	12	in	in	ADP
eurjchem-2634	6	13	revised	revise	VERB
eurjchem-2634	6	14	form	form	NOUN
eurjchem-2634	6	15	:	:	PUNCT
eurjchem-2634	6	16	19	19	NUM
eurjchem-2634	6	17	january	january	PROPN
eurjchem-2634	6	18	2025	2025	NUM
eurjchem-2634	6	19	accepted	accept	VERB
eurjchem-2634	6	20	:	:	PUNCT
eurjchem-2634	6	21	15	15	NUM
eurjchem-2634	6	22	february	february	NOUN
eurjchem-2634	6	23	2025	2025	NUM
eurjchem-2634	6	24	published	publish	VERB
eurjchem-2634	6	25	online	online	ADV
eurjchem-2634	6	26	:	:	PUNCT
eurjchem-2634	6	27	31	31	NUM
eurjchem-2634	6	28	march	march	NOUN
eurjchem-2634	6	29	2025	2025	NUM
eurjchem-2634	6	30	printed	print	VERB
eurjchem-2634	6	31	:	:	PUNCT
eurjchem-2634	6	32	31	31	NUM
eurjchem-2634	6	33	march	march	NOUN
eurjchem-2634	6	34	2025	2025	NUM
eurjchem-2634	6	35	in	in	ADP
eurjchem-2634	6	36	this	this	DET
eurjchem-2634	6	37	study	study	NOUN
eurjchem-2634	6	38	,	,	PUNCT
eurjchem-2634	6	39	the	the	DET
eurjchem-2634	6	40	characterization	characterization	NOUN
eurjchem-2634	6	41	of	of	ADP
eurjchem-2634	6	42	the	the	DET
eurjchem-2634	6	43	5,7	5,7	NUM
eurjchem-2634	6	44	-	-	PUNCT
eurjchem-2634	6	45	dichloro-8	dichloro-8	VERB
eurjchem-2634	6	46	-	-	PUNCT
eurjchem-2634	6	47	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	6	48	-	-	PUNCT
eurjchem-2634	6	49	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	6	50	molecule	molecule	NOUN
eurjchem-2634	6	51	was	be	AUX
eurjchem-2634	6	52	carried	carry	VERB
eurjchem-2634	6	53	out	out	ADP
eurjchem-2634	6	54	by	by	ADP
eurjchem-2634	6	55	nuclear	nuclear	ADJ
eurjchem-2634	6	56	magnetic	magnetic	ADJ
eurjchem-2634	6	57	resonance	resonance	NOUN
eurjchem-2634	6	58	(	(	PUNCT
eurjchem-2634	6	59	1h	1h	NUM
eurjchem-2634	6	60	and	and	CCONJ
eurjchem-2634	6	61	13c	13c	NOUN
eurjchem-2634	6	62	nmr	nmr	NOUN
eurjchem-2634	6	63	)	)	PUNCT
eurjchem-2634	6	64	,	,	PUNCT
eurjchem-2634	6	65	fourier	fourier	NOUN
eurjchem-2634	6	66	transform	transform	VERB
eurjchem-2634	6	67	infrared	infrared	ADJ
eurjchem-2634	6	68	(	(	PUNCT
eurjchem-2634	6	69	ft	ft	NOUN
eurjchem-2634	6	70	-	-	PUNCT
eurjchem-2634	6	71	ir	ir	NOUN
eurjchem-2634	6	72	)	)	PUNCT
eurjchem-2634	6	73	,	,	PUNCT
eurjchem-2634	6	74	ultraviolet	ultraviolet	NOUN
eurjchem-2634	6	75	-	-	PUNCT
eurjchem-2634	6	76	visible	visible	ADJ
eurjchem-2634	6	77	(	(	PUNCT
eurjchem-2634	6	78	uv	uv	NOUN
eurjchem-2634	6	79	-	-	PUNCT
eurjchem-2634	6	80	vis	vis	X
eurjchem-2634	6	81	)	)	PUNCT
eurjchem-2634	6	82	spectroscopy	spectroscopy	NOUN
eurjchem-2634	6	83	and	and	CCONJ
eurjchem-2634	6	84	theoretical	theoretical	ADJ
eurjchem-2634	6	85	calculations	calculation	NOUN
eurjchem-2634	6	86	in	in	ADP
eurjchem-2634	6	87	density	density	NOUN
eurjchem-2634	6	88	functional	functional	ADJ
eurjchem-2634	6	89	theory	theory	NOUN
eurjchem-2634	6	90	(	(	PUNCT
eurjchem-2634	6	91	dft	dft	NOUN
eurjchem-2634	6	92	)	)	PUNCT
eurjchem-2634	6	93	and	and	CCONJ
eurjchem-2634	6	94	time	time	NOUN
eurjchem-2634	6	95	-	-	PUNCT
eurjchem-2634	6	96	dependent	dependent	ADJ
eurjchem-2634	6	97	density	density	NOUN
eurjchem-2634	6	98	functional	functional	ADJ
eurjchem-2634	6	99	theory	theory	NOUN
eurjchem-2634	6	100	(	(	PUNCT
eurjchem-2634	6	101	td	td	NOUN
eurjchem-2634	6	102	-	-	PUNCT
eurjchem-2634	6	103	dft	dft	NOUN
eurjchem-2634	6	104	)	)	PUNCT
eurjchem-2634	6	105	.	.	PUNCT
eurjchem-2634	7	1	the	the	DET
eurjchem-2634	7	2	integral	integral	ADJ
eurjchem-2634	7	3	equation	equation	NOUN
eurjchem-2634	7	4	formalism	formalism	NOUN
eurjchem-2634	7	5	polarizable	polarizable	ADJ
eurjchem-2634	7	6	continuum	continuum	NOUN
eurjchem-2634	7	7	(	(	PUNCT
eurjchem-2634	7	8	iefpcm	iefpcm	NOUN
eurjchem-2634	7	9	)	)	PUNCT
eurjchem-2634	7	10	solvation	solvation	NOUN
eurjchem-2634	7	11	model	model	NOUN
eurjchem-2634	7	12	was	be	AUX
eurjchem-2634	7	13	used	use	VERB
eurjchem-2634	7	14	for	for	ADP
eurjchem-2634	7	15	ethanol	ethanol	NOUN
eurjchem-2634	7	16	,	,	PUNCT
eurjchem-2634	7	17	dimethylsulfoxide	dimethylsulfoxide	ADV
eurjchem-2634	7	18	(	(	PUNCT
eurjchem-2634	7	19	dmso	dmso	NOUN
eurjchem-2634	7	20	)	)	PUNCT
eurjchem-2634	7	21	,	,	PUNCT
eurjchem-2634	7	22	and	and	CCONJ
eurjchem-2634	7	23	water	water	NOUN
eurjchem-2634	7	24	solvents	solvent	NOUN
eurjchem-2634	7	25	.	.	PUNCT
eurjchem-2634	8	1	the	the	DET
eurjchem-2634	8	2	conformation	conformation	NOUN
eurjchem-2634	8	3	of	of	ADP
eurjchem-2634	8	4	the	the	DET
eurjchem-2634	8	5	molecule	molecule	NOUN
eurjchem-2634	8	6	was	be	AUX
eurjchem-2634	8	7	analyzed	analyze	VERB
eurjchem-2634	8	8	,	,	PUNCT
eurjchem-2634	8	9	and	and	CCONJ
eurjchem-2634	8	10	the	the	DET
eurjchem-2634	8	11	most	most	ADV
eurjchem-2634	8	12	stable	stable	ADJ
eurjchem-2634	8	13	structure	structure	NOUN
eurjchem-2634	8	14	was	be	AUX
eurjchem-2634	8	15	optimized	optimize	VERB
eurjchem-2634	8	16	,	,	PUNCT
eurjchem-2634	8	17	and	and	CCONJ
eurjchem-2634	8	18	the	the	DET
eurjchem-2634	8	19	geometry	geometry	NOUN
eurjchem-2634	8	20	and	and	CCONJ
eurjchem-2634	8	21	electronic	electronic	ADJ
eurjchem-2634	8	22	structure	structure	NOUN
eurjchem-2634	8	23	of	of	ADP
eurjchem-2634	8	24	the	the	DET
eurjchem-2634	8	25	optimized	optimize	VERB
eurjchem-2634	8	26	structure	structure	NOUN
eurjchem-2634	8	27	were	be	AUX
eurjchem-2634	8	28	examined	examine	VERB
eurjchem-2634	8	29	.	.	PUNCT
eurjchem-2634	9	1	the	the	DET
eurjchem-2634	9	2	chemical	chemical	NOUN
eurjchem-2634	9	3	stability	stability	NOUN
eurjchem-2634	9	4	and	and	CCONJ
eurjchem-2634	9	5	charge	charge	NOUN
eurjchem-2634	9	6	transport	transport	NOUN
eurjchem-2634	9	7	inside	inside	ADP
eurjchem-2634	9	8	the	the	DET
eurjchem-2634	9	9	molecule	molecule	NOUN
eurjchem-2634	9	10	were	be	AUX
eurjchem-2634	9	11	validated	validate	VERB
eurjchem-2634	9	12	by	by	ADP
eurjchem-2634	9	13	the	the	DET
eurjchem-2634	9	14	computed	compute	VERB
eurjchem-2634	9	15	homo	homo	NOUN
eurjchem-2634	9	16	-	-	PUNCT
eurjchem-2634	9	17	lumo	lumo	NOUN
eurjchem-2634	9	18	band	band	NOUN
eurjchem-2634	9	19	gap	gap	NOUN
eurjchem-2634	9	20	energies	energy	NOUN
eurjchem-2634	9	21	.	.	PUNCT
eurjchem-2634	10	1	characteristics	characteristic	NOUN
eurjchem-2634	10	2	such	such	ADJ
eurjchem-2634	10	3	as	as	ADP
eurjchem-2634	10	4	non	non	ADJ
eurjchem-2634	10	5	-	-	ADJ
eurjchem-2634	10	6	linear	linear	ADJ
eurjchem-2634	10	7	optic	optic	ADJ
eurjchem-2634	10	8	properties	property	NOUN
eurjchem-2634	10	9	(	(	PUNCT
eurjchem-2634	10	10	nlo	nlo	PROPN
eurjchem-2634	10	11	)	)	PUNCT
eurjchem-2634	10	12	,	,	PUNCT
eurjchem-2634	10	13	charge	charge	VERB
eurjchem-2634	10	14	analysis	analysis	NOUN
eurjchem-2634	10	15	,	,	PUNCT
eurjchem-2634	10	16	and	and	CCONJ
eurjchem-2634	10	17	molecular	molecular	ADJ
eurjchem-2634	10	18	electrostatic	electrostatic	ADJ
eurjchem-2634	10	19	potential	potential	NOUN
eurjchem-2634	10	20	(	(	PUNCT
eurjchem-2634	10	21	mep	mep	PROPN
eurjchem-2634	10	22	)	)	PUNCT
eurjchem-2634	10	23	aid	aid	NOUN
eurjchem-2634	10	24	in	in	ADP
eurjchem-2634	10	25	determining	determine	VERB
eurjchem-2634	10	26	the	the	DET
eurjchem-2634	10	27	electrophilic	electrophilic	ADJ
eurjchem-2634	10	28	/	/	SYM
eurjchem-2634	10	29	nucleophilic	nucleophilic	ADJ
eurjchem-2634	10	30	nature	nature	NOUN
eurjchem-2634	10	31	.	.	PUNCT
eurjchem-2634	11	1	compound	compound	VERB
eurjchem-2634	11	2	intermolecular	intermolecular	ADJ
eurjchem-2634	11	3	interactions	interaction	NOUN
eurjchem-2634	11	4	were	be	AUX
eurjchem-2634	11	5	investigated	investigate	VERB
eurjchem-2634	11	6	by	by	ADP
eurjchem-2634	11	7	topological	topological	ADJ
eurjchem-2634	11	8	studies	study	NOUN
eurjchem-2634	11	9	,	,	PUNCT
eurjchem-2634	11	10	including	include	VERB
eurjchem-2634	11	11	noncovalent	noncovalent	NOUN
eurjchem-2634	11	12	interaction	interaction	NOUN
eurjchem-2634	11	13	(	(	PUNCT
eurjchem-2634	11	14	nci	nci	PROPN
eurjchem-2634	11	15	)	)	PUNCT
eurjchem-2634	11	16	,	,	PUNCT
eurjchem-2634	11	17	reduced	reduce	VERB
eurjchem-2634	11	18	density	density	NOUN
eurjchem-2634	11	19	gradient	gradient	NOUN
eurjchem-2634	11	20	(	(	PUNCT
eurjchem-2634	11	21	rdg	rdg	NOUN
eurjchem-2634	11	22	)	)	PUNCT
eurjchem-2634	11	23	,	,	PUNCT
eurjchem-2634	11	24	electron	electron	NOUN
eurjchem-2634	11	25	localization	localization	NOUN
eurjchem-2634	11	26	function	function	NOUN
eurjchem-2634	11	27	(	(	PUNCT
eurjchem-2634	11	28	elf	elf	NOUN
eurjchem-2634	11	29	)	)	PUNCT
eurjchem-2634	11	30	,	,	PUNCT
eurjchem-2634	11	31	and	and	CCONJ
eurjchem-2634	11	32	localized	localize	VERB
eurjchem-2634	11	33	orbital	orbital	ADJ
eurjchem-2634	11	34	locator	locator	NOUN
eurjchem-2634	11	35	(	(	PUNCT
eurjchem-2634	11	36	lol	lol	PROPN
eurjchem-2634	11	37	)	)	PUNCT
eurjchem-2634	11	38	.	.	PUNCT
eurjchem-2634	12	1	the	the	DET
eurjchem-2634	12	2	natural	natural	ADJ
eurjchem-2634	12	3	bond	bond	NOUN
eurjchem-2634	12	4	order	order	NOUN
eurjchem-2634	12	5	(	(	PUNCT
eurjchem-2634	12	6	nbo	nbo	NOUN
eurjchem-2634	12	7	)	)	PUNCT
eurjchem-2634	12	8	analysis	analysis	NOUN
eurjchem-2634	12	9	was	be	AUX
eurjchem-2634	12	10	used	use	VERB
eurjchem-2634	12	11	to	to	PART
eurjchem-2634	12	12	examine	examine	VERB
eurjchem-2634	12	13	the	the	DET
eurjchem-2634	12	14	changes	change	NOUN
eurjchem-2634	12	15	between	between	ADP
eurjchem-2634	12	16	the	the	DET
eurjchem-2634	12	17	hyperconjugative	hyperconjugative	ADJ
eurjchem-2634	12	18	interaction	interaction	NOUN
eurjchem-2634	12	19	energy	energy	NOUN
eurjchem-2634	12	20	e(2	e(2	NOUN
eurjchem-2634	12	21	)	)	PUNCT
eurjchem-2634	12	22	and	and	CCONJ
eurjchem-2634	12	23	the	the	DET
eurjchem-2634	12	24	electron	electron	NOUN
eurjchem-2634	12	25	densities	density	NOUN
eurjchem-2634	12	26	of	of	ADP
eurjchem-2634	12	27	the	the	DET
eurjchem-2634	12	28	donor	donor	NOUN
eurjchem-2634	12	29	(	(	PUNCT
eurjchem-2634	12	30	i	i	NOUN
eurjchem-2634	12	31	)	)	PUNCT
eurjchem-2634	12	32	and	and	CCONJ
eurjchem-2634	12	33	acceptor	acceptor	NOUN
eurjchem-2634	12	34	(	(	PUNCT
eurjchem-2634	12	35	j	j	NOUN
eurjchem-2634	12	36	)	)	PUNCT
eurjchem-2634	12	37	bonds	bond	NOUN
eurjchem-2634	12	38	.	.	PUNCT
eurjchem-2634	13	1	the	the	DET
eurjchem-2634	13	2	interaction	interaction	NOUN
eurjchem-2634	13	3	energy	energy	NOUN
eurjchem-2634	13	4	,	,	PUNCT
eurjchem-2634	13	5	the	the	DET
eurjchem-2634	13	6	nci	nci	PROPN
eurjchem-2634	13	7	study	study	NOUN
eurjchem-2634	13	8	,	,	PUNCT
eurjchem-2634	13	9	and	and	CCONJ
eurjchem-2634	13	10	the	the	DET
eurjchem-2634	13	11	nbo	nbo	PROPN
eurjchem-2634	13	12	analysis	analysis	NOUN
eurjchem-2634	13	13	revealed	reveal	VERB
eurjchem-2634	13	14	that	that	SCONJ
eurjchem-2634	13	15	the	the	DET
eurjchem-2634	13	16	ligand	ligand	NOUN
eurjchem-2634	13	17	becomes	become	VERB
eurjchem-2634	13	18	stronger	strong	ADJ
eurjchem-2634	13	19	in	in	ADP
eurjchem-2634	13	20	the	the	DET
eurjchem-2634	13	21	presence	presence	NOUN
eurjchem-2634	13	22	of	of	ADP
eurjchem-2634	13	23	a	a	DET
eurjchem-2634	13	24	pyridine	pyridine	ADJ
eurjchem-2634	13	25	ring	ring	NOUN
eurjchem-2634	13	26	.	.	PUNCT
eurjchem-2634	14	1	nci	nci	PROPN
eurjchem-2634	14	2	dft	dft	PROPN
eurjchem-2634	14	3	nbo	nbo	PROPN
eurjchem-2634	14	4	solvent	solvent	PROPN
eurjchem-2634	14	5	effect	effect	PROPN
eurjchem-2634	14	6	vibrational	vibrational	NOUN
eurjchem-2634	14	7	spectra	spectra	ADJ
eurjchem-2634	14	8	8	8	NUM
eurjchem-2634	14	9	-	-	PUNCT
eurjchem-2634	14	10	hydroxyquinoline	hydroxyquinoline	NOUN
eurjchem-2634	14	11	cite	cite	VERB
eurjchem-2634	14	12	this	this	PRON
eurjchem-2634	14	13	:	:	PUNCT
eurjchem-2634	14	14	eur	eur	PROPN
eurjchem-2634	14	15	.	.	PUNCT
eurjchem-2634	15	1	j.	j.	PROPN
eurjchem-2634	15	2	chem	chem	PROPN
eurjchem-2634	15	3	.	.	PUNCT
eurjchem-2634	16	1	2025	2025	NUM
eurjchem-2634	16	2	,	,	PUNCT
eurjchem-2634	16	3	16(1	16(1	NUM
eurjchem-2634	16	4	)	)	PUNCT
eurjchem-2634	16	5	,	,	PUNCT
eurjchem-2634	16	6	70	70	NUM
eurjchem-2634	16	7	-	-	SYM
eurjchem-2634	16	8	82	82	NUM
eurjchem-2634	16	9	journal	journal	NOUN
eurjchem-2634	16	10	website	website	NOUN
eurjchem-2634	16	11	:	:	PUNCT
eurjchem-2634	16	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2634	16	13	1	1	X
eurjchem-2634	16	14	.	.	PUNCT
eurjchem-2634	16	15	introduction	introduction	NOUN
eurjchem-2634	16	16	5,7	5,7	NUM
eurjchem-2634	16	17	-	-	PUNCT
eurjchem-2634	16	18	dichloro-8	dichloro-8	NUM
eurjchem-2634	16	19	-	-	PUNCT
eurjchem-2634	16	20	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	16	21	-	-	PUNCT
eurjchem-2634	16	22	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	16	23	,	,	PUNCT
eurjchem-2634	16	24	a	a	DET
eurjchem-2634	16	25	halogenated	halogenated	ADJ
eurjchem-2634	16	26	derivative	derivative	NOUN
eurjchem-2634	16	27	of	of	ADP
eurjchem-2634	16	28	8	8	NUM
eurjchem-2634	16	29	-	-	PUNCT
eurjchem-2634	16	30	hydroxyquinoline	hydroxyquinoline	NOUN
eurjchem-2634	16	31	that	that	DET
eurjchem-2634	16	32	functions	function	NOUN
eurjchem-2634	16	33	as	as	ADP
eurjchem-2634	16	34	a	a	DET
eurjchem-2634	16	35	bioactive	bioactive	ADJ
eurjchem-2634	16	36	metal	metal	NOUN
eurjchem-2634	16	37	chelator	chelator	NOUN
eurjchem-2634	16	38	,	,	PUNCT
eurjchem-2634	16	39	was	be	AUX
eurjchem-2634	16	40	used	use	VERB
eurjchem-2634	16	41	for	for	ADP
eurjchem-2634	16	42	the	the	DET
eurjchem-2634	16	43	first	first	ADJ
eurjchem-2634	16	44	time	time	NOUN
eurjchem-2634	16	45	as	as	ADP
eurjchem-2634	16	46	an	an	DET
eurjchem-2634	16	47	antibiotic	antibiotic	NOUN
eurjchem-2634	16	48	to	to	PART
eurjchem-2634	16	49	treat	treat	VERB
eurjchem-2634	16	50	diarrhea	diarrhea	NOUN
eurjchem-2634	16	51	and	and	CCONJ
eurjchem-2634	16	52	skin	skin	NOUN
eurjchem-2634	16	53	infections	infection	NOUN
eurjchem-2634	16	54	[	[	X
eurjchem-2634	16	55	1	1	NUM
eurjchem-2634	16	56	]	]	PUNCT
eurjchem-2634	16	57	.	.	PUNCT
eurjchem-2634	17	1	quinolinol	quinolinol	ADJ
eurjchem-2634	17	2	derivatives	derivative	NOUN
eurjchem-2634	17	3	have	have	AUX
eurjchem-2634	17	4	long	long	ADV
eurjchem-2634	17	5	been	be	AUX
eurjchem-2634	17	6	used	use	VERB
eurjchem-2634	17	7	as	as	ADP
eurjchem-2634	17	8	active	active	ADJ
eurjchem-2634	17	9	pharmaceutical	pharmaceutical	ADJ
eurjchem-2634	17	10	ingredients	ingredient	NOUN
eurjchem-2634	17	11	in	in	ADP
eurjchem-2634	17	12	a	a	DET
eurjchem-2634	17	13	variety	variety	NOUN
eurjchem-2634	17	14	of	of	ADP
eurjchem-2634	17	15	potent	potent	ADJ
eurjchem-2634	17	16	antibacterial	antibacterial	ADJ
eurjchem-2634	17	17	,	,	PUNCT
eurjchem-2634	17	18	antifungal	antifungal	ADJ
eurjchem-2634	17	19	and	and	CCONJ
eurjchem-2634	17	20	antiamebic	antiamebic	ADJ
eurjchem-2634	17	21	medicines	medicine	NOUN
eurjchem-2634	17	22	used	use	VERB
eurjchem-2634	17	23	to	to	PART
eurjchem-2634	17	24	treat	treat	VERB
eurjchem-2634	17	25	dermatoses	dermatosis	NOUN
eurjchem-2634	17	26	[	[	X
eurjchem-2634	17	27	2	2	NUM
eurjchem-2634	17	28	-	-	SYM
eurjchem-2634	17	29	4	4	NUM
eurjchem-2634	17	30	]	]	PUNCT
eurjchem-2634	17	31	as	as	ADV
eurjchem-2634	17	32	well	well	ADV
eurjchem-2634	17	33	as	as	ADP
eurjchem-2634	17	34	antiseptic	antiseptic	ADJ
eurjchem-2634	17	35	or	or	CCONJ
eurjchem-2634	17	36	disinfectant	disinfectant	NOUN
eurjchem-2634	17	37	formulations	formulation	NOUN
eurjchem-2634	17	38	[	[	X
eurjchem-2634	17	39	5	5	NUM
eurjchem-2634	17	40	]	]	PUNCT
eurjchem-2634	17	41	.	.	PUNCT
eurjchem-2634	18	1	8	8	NUM
eurjchem-2634	18	2	-	-	PUNCT
eurjchem-2634	18	3	quinolinol	quinolinol	NOUN
eurjchem-2634	18	4	derivative	derivative	ADJ
eurjchem-2634	18	5	drugs	drug	NOUN
eurjchem-2634	18	6	are	be	AUX
eurjchem-2634	18	7	also	also	ADV
eurjchem-2634	18	8	effective	effective	ADJ
eurjchem-2634	18	9	against	against	ADP
eurjchem-2634	18	10	viral	viral	ADJ
eurjchem-2634	18	11	and	and	CCONJ
eurjchem-2634	18	12	protozoal	protozoal	NOUN
eurjchem-2634	18	13	diseases	disease	NOUN
eurjchem-2634	18	14	by	by	ADP
eurjchem-2634	18	15	inhibiting	inhibit	VERB
eurjchem-2634	18	16	deoxyribonucleic	deoxyribonucleic	ADJ
eurjchem-2634	18	17	acid	acid	NOUN
eurjchem-2634	18	18	(	(	PUNCT
eurjchem-2634	18	19	dna	dna	NOUN
eurjchem-2634	18	20	)	)	PUNCT
eurjchem-2634	18	21	replication	replication	NOUN
eurjchem-2634	18	22	.	.	PUNCT
eurjchem-2634	19	1	[	[	X
eurjchem-2634	19	2	6	6	NUM
eurjchem-2634	19	3	]	]	PUNCT
eurjchem-2634	19	4	.	.	PUNCT
eurjchem-2634	20	1	furthermore	furthermore	ADV
eurjchem-2634	20	2	,	,	PUNCT
eurjchem-2634	20	3	quinoline	quinoline	NOUN
eurjchem-2634	20	4	derivatives	derivative	NOUN
eurjchem-2634	20	5	have	have	AUX
eurjchem-2634	20	6	gained	gain	VERB
eurjchem-2634	20	7	recent	recent	ADJ
eurjchem-2634	20	8	attention	attention	NOUN
eurjchem-2634	20	9	from	from	ADP
eurjchem-2634	20	10	chemists	chemist	NOUN
eurjchem-2634	20	11	due	due	ADP
eurjchem-2634	20	12	to	to	ADP
eurjchem-2634	20	13	their	their	PRON
eurjchem-2634	20	14	applicability	applicability	NOUN
eurjchem-2634	20	15	in	in	ADP
eurjchem-2634	20	16	the	the	DET
eurjchem-2634	20	17	synthesis	synthesis	NOUN
eurjchem-2634	20	18	of	of	ADP
eurjchem-2634	20	19	molecules	molecule	NOUN
eurjchem-2634	20	20	with	with	ADP
eurjchem-2634	20	21	good	good	ADJ
eurjchem-2634	20	22	nonlinear	nonlinear	ADJ
eurjchem-2634	20	23	optical	optical	ADJ
eurjchem-2634	20	24	properties	property	NOUN
eurjchem-2634	20	25	,	,	PUNCT
eurjchem-2634	20	26	use	use	NOUN
eurjchem-2634	20	27	in	in	ADP
eurjchem-2634	20	28	organic	organic	ADJ
eurjchem-2634	20	29	light	light	ADJ
eurjchem-2634	20	30	-	-	PUNCT
eurjchem-2634	20	31	emitting	emit	VERB
eurjchem-2634	20	32	diodes	diode	NOUN
eurjchem-2634	20	33	and	and	CCONJ
eurjchem-2634	20	34	components	component	NOUN
eurjchem-2634	20	35	of	of	ADP
eurjchem-2634	20	36	a	a	DET
eurjchem-2634	20	37	variety	variety	NOUN
eurjchem-2634	20	38	of	of	ADP
eurjchem-2634	20	39	natural	natural	ADJ
eurjchem-2634	20	40	products	product	NOUN
eurjchem-2634	20	41	[	[	X
eurjchem-2634	20	42	7	7	NUM
eurjchem-2634	20	43	]	]	PUNCT
eurjchem-2634	20	44	.	.	PUNCT
eurjchem-2634	21	1	quinolones	quinolone	NOUN
eurjchem-2634	21	2	are	be	AUX
eurjchem-2634	21	3	used	use	VERB
eurjchem-2634	21	4	in	in	ADP
eurjchem-2634	21	5	medical	medical	ADJ
eurjchem-2634	21	6	applications	application	NOUN
eurjchem-2634	21	7	,	,	PUNCT
eurjchem-2634	21	8	imaging	imaging	NOUN
eurjchem-2634	21	9	reagents	reagent	NOUN
eurjchem-2634	21	10	,	,	PUNCT
eurjchem-2634	21	11	and	and	CCONJ
eurjchem-2634	21	12	fluorescent	fluorescent	ADJ
eurjchem-2634	21	13	reagents	reagent	NOUN
eurjchem-2634	21	14	;	;	PUNCT
eurjchem-2634	21	15	they	they	PRON
eurjchem-2634	21	16	have	have	VERB
eurjchem-2634	21	17	a	a	DET
eurjchem-2634	21	18	good	good	ADJ
eurjchem-2634	21	19	electron	electron	NOUN
eurjchem-2634	21	20	mobility	mobility	NOUN
eurjchem-2634	21	21	potential	potential	NOUN
eurjchem-2634	21	22	and	and	CCONJ
eurjchem-2634	21	23	good	good	ADJ
eurjchem-2634	21	24	oxidative	oxidative	ADJ
eurjchem-2634	21	25	and	and	CCONJ
eurjchem-2634	21	26	thermal	thermal	ADJ
eurjchem-2634	21	27	stability	stability	NOUN
eurjchem-2634	22	1	[	[	X
eurjchem-2634	22	2	8,9	8,9	NUM
eurjchem-2634	22	3	]	]	PUNCT
eurjchem-2634	22	4	.	.	PUNCT
eurjchem-2634	23	1	in	in	ADP
eurjchem-2634	23	2	a	a	DET
eurjchem-2634	23	3	review	review	NOUN
eurjchem-2634	23	4	of	of	ADP
eurjchem-2634	23	5	the	the	DET
eurjchem-2634	23	6	literature	literature	NOUN
eurjchem-2634	23	7	,	,	PUNCT
eurjchem-2634	23	8	some	some	DET
eurjchem-2634	23	9	halogen	halogen	NOUN
eurjchem-2634	23	10	-	-	PUNCT
eurjchem-2634	23	11	substituted	substitute	VERB
eurjchem-2634	23	12	hydroxyquinoline	hydroxyquinoline	NOUN
eurjchem-2634	23	13	structures	structure	NOUN
eurjchem-2634	23	14	have	have	AUX
eurjchem-2634	23	15	been	be	AUX
eurjchem-2634	23	16	elucidated	elucidate	VERB
eurjchem-2634	23	17	with	with	ADP
eurjchem-2634	23	18	the	the	DET
eurjchem-2634	23	19	help	help	NOUN
eurjchem-2634	23	20	of	of	ADP
eurjchem-2634	23	21	quantum	quantum	ADJ
eurjchem-2634	23	22	chemical	chemical	NOUN
eurjchem-2634	23	23	calculations	calculation	NOUN
eurjchem-2634	23	24	and	and	CCONJ
eurjchem-2634	23	25	experimental	experimental	ADJ
eurjchem-2634	23	26	methods	method	NOUN
eurjchem-2634	23	27	[	[	X
eurjchem-2634	23	28	10	10	NUM
eurjchem-2634	23	29	]	]	PUNCT
eurjchem-2634	23	30	.	.	PUNCT
eurjchem-2634	24	1	however	however	ADV
eurjchem-2634	24	2	,	,	PUNCT
eurjchem-2634	24	3	there	there	PRON
eurjchem-2634	24	4	is	be	VERB
eurjchem-2634	24	5	no	no	DET
eurjchem-2634	24	6	study	study	NOUN
eurjchem-2634	24	7	explaining	explain	VERB
eurjchem-2634	24	8	how	how	SCONJ
eurjchem-2634	24	9	the	the	DET
eurjchem-2634	24	10	solvent	solvent	NOUN
eurjchem-2634	24	11	affects	affect	VERB
eurjchem-2634	24	12	the	the	DET
eurjchem-2634	24	13	spectroscopic	spectroscopic	ADJ
eurjchem-2634	24	14	or	or	CCONJ
eurjchem-2634	24	15	electronic	electronic	ADJ
eurjchem-2634	24	16	properties	property	NOUN
eurjchem-2634	24	17	of	of	ADP
eurjchem-2634	24	18	the	the	DET
eurjchem-2634	24	19	5,7	5,7	NUM
eurjchem-2634	24	20	-	-	PUNCT
eurjchem-2634	24	21	dichloro-8	dichloro-8	VERB
eurjchem-2634	24	22	-	-	PUNCT
eurjchem-2634	24	23	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	24	24	-	-	PUNCT
eurjchem-2634	24	25	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	24	26	molecule	molecule	NOUN
eurjchem-2634	24	27	with	with	ADP
eurjchem-2634	24	28	quantum	quantum	ADJ
eurjchem-2634	24	29	chemical	chemical	NOUN
eurjchem-2634	24	30	calculation	calculation	NOUN
eurjchem-2634	24	31	methods	method	NOUN
eurjchem-2634	24	32	.	.	PUNCT
eurjchem-2634	25	1	therefore	therefore	ADV
eurjchem-2634	25	2	,	,	PUNCT
eurjchem-2634	25	3	the	the	DET
eurjchem-2634	25	4	aim	aim	NOUN
eurjchem-2634	25	5	of	of	ADP
eurjchem-2634	25	6	this	this	DET
eurjchem-2634	25	7	study	study	NOUN
eurjchem-2634	25	8	was	be	AUX
eurjchem-2634	25	9	to	to	PART
eurjchem-2634	25	10	investigate	investigate	VERB
eurjchem-2634	25	11	how	how	SCONJ
eurjchem-2634	25	12	solvents	solvent	NOUN
eurjchem-2634	25	13	affect	affect	VERB
eurjchem-2634	25	14	the	the	DET
eurjchem-2634	25	15	spectroscopic	spectroscopic	ADJ
eurjchem-2634	25	16	and	and	CCONJ
eurjchem-2634	25	17	electronic	electronic	ADJ
eurjchem-2634	25	18	properties	property	NOUN
eurjchem-2634	25	19	of	of	ADP
eurjchem-2634	25	20	the	the	DET
eurjchem-2634	25	21	molecule	molecule	NOUN
eurjchem-2634	25	22	.	.	PUNCT
eurjchem-2634	26	1	therefore	therefore	ADV
eurjchem-2634	26	2	,	,	PUNCT
eurjchem-2634	26	3	calculations	calculation	NOUN
eurjchem-2634	26	4	were	be	AUX
eurjchem-2634	26	5	performed	perform	VERB
eurjchem-2634	26	6	using	use	VERB
eurjchem-2634	26	7	dft	dft	PROPN
eurjchem-2634	26	8	to	to	PART
eurjchem-2634	26	9	determine	determine	VERB
eurjchem-2634	26	10	the	the	DET
eurjchem-2634	26	11	vibrational	vibrational	ADJ
eurjchem-2634	26	12	properties	property	NOUN
eurjchem-2634	26	13	,	,	PUNCT
eurjchem-2634	26	14	atomic	atomic	ADJ
eurjchem-2634	26	15	charges	charge	NOUN
eurjchem-2634	26	16	,	,	PUNCT
eurjchem-2634	26	17	and	and	CCONJ
eurjchem-2634	26	18	reactivity	reactivity	NOUN
eurjchem-2634	26	19	of	of	ADP
eurjchem-2634	26	20	the	the	DET
eurjchem-2634	26	21	title	title	NOUN
eurjchem-2634	26	22	molecule	molecule	NOUN
eurjchem-2634	26	23	.	.	PUNCT
eurjchem-2634	27	1	furthermore	furthermore	ADV
eurjchem-2634	27	2	,	,	PUNCT
eurjchem-2634	27	3	since	since	SCONJ
eurjchem-2634	27	4	the	the	DET
eurjchem-2634	27	5	production	production	NOUN
eurjchem-2634	27	6	of	of	ADP
eurjchem-2634	27	7	drugs	drug	NOUN
eurjchem-2634	27	8	and	and	CCONJ
eurjchem-2634	27	9	biological	biological	ADJ
eurjchem-2634	27	10	processes	process	NOUN
eurjchem-2634	27	11	occurs	occur	VERB
eurjchem-2634	27	12	in	in	ADP
eurjchem-2634	27	13	the	the	DET
eurjchem-2634	27	14	solution	solution	NOUN
eurjchem-2634	27	15	phase	phase	NOUN
eurjchem-2634	27	16	,	,	PUNCT
eurjchem-2634	27	17	studying	study	VERB
eurjchem-2634	27	18	the	the	DET
eurjchem-2634	27	19	effect	effect	NOUN
eurjchem-2634	27	20	of	of	ADP
eurjchem-2634	27	21	solvents	solvent	NOUN
eurjchem-2634	27	22	on	on	ADP
eurjchem-2634	27	23	biomolecules	biomolecule	NOUN
eurjchem-2634	27	24	is	be	AUX
eurjchem-2634	27	25	critical	critical	ADJ
eurjchem-2634	27	26	.	.	PUNCT
eurjchem-2634	28	1	as	as	ADP
eurjchem-2634	28	2	a	a	DET
eurjchem-2634	28	3	result	result	NOUN
eurjchem-2634	28	4	,	,	PUNCT
eurjchem-2634	28	5	we	we	PRON
eurjchem-2634	28	6	investigated	investigate	VERB
eurjchem-2634	28	7	the	the	DET
eurjchem-2634	28	8	solute	solute	NOUN
eurjchem-2634	28	9	-	-	PUNCT
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eurjchem-2634	28	11	interactions	interaction	NOUN
eurjchem-2634	28	12	of	of	ADP
eurjchem-2634	28	13	the	the	DET
eurjchem-2634	28	14	therapeutic	therapeutic	ADJ
eurjchem-2634	28	15	active	active	ADJ
eurjchem-2634	28	16	ingredient	ingredient	NOUN
eurjchem-2634	28	17	structure	structure	NOUN
eurjchem-2634	28	18	at	at	ADP
eurjchem-2634	28	19	the	the	DET
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eurjchem-2634	28	21	level	level	NOUN
eurjchem-2634	28	22	.	.	PUNCT
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eurjchem-2634	29	2	the	the	DET
eurjchem-2634	29	3	iefpcm	iefpcm	ADJ
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eurjchem-2634	29	6	dft	dft	PROPN
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eurjchem-2634	29	8	we	we	PRON
eurjchem-2634	29	9	studied	study	VERB
eurjchem-2634	29	10	solvent	solvent	ADJ
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eurjchem-2634	29	12	on	on	ADP
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eurjchem-2634	29	14	structures	structure	NOUN
eurjchem-2634	29	15	,	,	PUNCT
eurjchem-2634	29	16	charge	charge	NOUN
eurjchem-2634	29	17	distribution	distribution	NOUN
eurjchem-2634	29	18	,	,	PUNCT
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eurjchem-2634	29	20	electrostatic	electrostatic	ADJ
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eurjchem-2634	29	23	mep	mep	PROPN
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eurjchem-2634	29	30	(	(	PUNCT
eurjchem-2634	29	31	fmo	fmo	NOUN
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eurjchem-2634	29	33	,	,	PUNCT
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eurjchem-2634	29	35	-	-	PUNCT
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eurjchem-2634	29	37	,	,	PUNCT
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eurjchem-2634	29	39	,	,	PUNCT
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eurjchem-2634	29	41	uv	uv	NOUN
eurjchem-2634	29	42	-	-	PUNCT
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eurjchem-2634	29	47	gas	gas	NOUN
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eurjchem-2634	29	50	phases	phase	NOUN
eurjchem-2634	29	51	(	(	PUNCT
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eurjchem-2634	29	53	,	,	PUNCT
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eurjchem-2634	29	55	,	,	PUNCT
eurjchem-2634	29	56	and	and	CCONJ
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eurjchem-2634	29	59	.	.	PUNCT
eurjchem-2634	30	1	2	2	X
eurjchem-2634	30	2	.	.	X
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eurjchem-2634	30	4	the	the	DET
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eurjchem-2634	30	6	08	08	NUM
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eurjchem-2634	30	19	,	,	PUNCT
eurjchem-2634	30	20	7	7	NUM
eurjchem-2634	30	21	-	-	PUNCT
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eurjchem-2634	30	23	-	-	PUNCT
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eurjchem-2634	30	44	(	(	PUNCT
eurjchem-2634	30	45	1	1	NUM
eurjchem-2634	30	46	)	)	PUNCT
eurjchem-2634	30	47	(	(	PUNCT
eurjchem-2634	30	48	2025	2025	NUM
eurjchem-2634	30	49	)	)	PUNCT
eurjchem-2634	30	50	70	70	NUM
eurjchem-2634	30	51	-	-	SYM
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eurjchem-2634	30	54	2025	2025	NUM
eurjchem-2634	30	55	–	–	PUNCT
eurjchem-2634	30	56	european	european	ADJ
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eurjchem-2634	30	70	-	-	PUNCT
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eurjchem-2634	30	80	-	-	PUNCT
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eurjchem-2634	30	82	-	-	PUNCT
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eurjchem-2634	30	84	-	-	PUNCT
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eurjchem-2634	30	87	.	.	PUNCT
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eurjchem-2634	31	10	(	(	PUNCT
eurjchem-2634	31	11	°	°	NOUN
eurjchem-2634	31	12	)	)	PUNCT
eurjchem-2634	31	13	6	6	NUM
eurjchem-2634	31	14	-	-	PUNCT
eurjchem-2634	31	15	311++g(d	311++g(d	NUM
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eurjchem-2634	31	19	xrd	xrd	NOUN
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eurjchem-2634	31	22	-	-	PUNCT
eurjchem-2634	31	23	311++g(d	311++g(d	NUM
eurjchem-2634	31	24	,	,	PUNCT
eurjchem-2634	31	25	p	p	NOUN
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eurjchem-2634	31	27	xrd	xrd	NOUN
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eurjchem-2634	31	30	-	-	PUNCT
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eurjchem-2634	31	35	-	-	PUNCT
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eurjchem-2634	31	41	-	-	PUNCT
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eurjchem-2634	31	47	-	-	PUNCT
eurjchem-2634	31	48	c14	c14	NOUN
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eurjchem-2634	31	52	-	-	PUNCT
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eurjchem-2634	31	59	-	-	PUNCT
eurjchem-2634	31	60	c9	c9	NOUN
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eurjchem-2634	31	71	c10	c10	VERB
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eurjchem-2634	31	82	c10	c10	VERB
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eurjchem-2634	31	85	n5	n5	PROPN
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eurjchem-2634	31	87	c7	c7	PROPN
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eurjchem-2634	31	94	c6	c6	PROPN
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eurjchem-2634	31	106	c8	c8	PROPN
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eurjchem-2634	31	111	c7	c7	PROPN
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eurjchem-2634	31	117	c8	c8	PROPN
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eurjchem-2634	31	129	c7	c7	PROPN
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eurjchem-2634	31	140	c11	c11	PROPN
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eurjchem-2634	31	144	c8	c8	PROPN
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eurjchem-2634	31	186	-	-	PUNCT
eurjchem-2634	31	187	c12	c12	NOUN
eurjchem-2634	31	188	121.08	121.08	NUM
eurjchem-2634	31	189	120.54	120.54	NUM
eurjchem-2634	31	190	c10	c10	PROPN
eurjchem-2634	31	191	-	-	PUNCT
eurjchem-2634	31	192	h16	h16	PROPN
eurjchem-2634	31	193	1.082	1.082	NUM
eurjchem-2634	31	194	c6	c6	PROPN
eurjchem-2634	31	195	-	-	PUNCT
eurjchem-2634	31	196	c10	c10	VERB
eurjchem-2634	31	197	-	-	PUNCT
eurjchem-2634	31	198	c13	c13	NOUN
eurjchem-2634	31	199	119.75	119.75	NUM
eurjchem-2634	31	200	119.48	119.48	NUM
eurjchem-2634	31	201	c11	c11	NOUN
eurjchem-2634	31	202	-	-	PUNCT
eurjchem-2634	31	203	c12	c12	NOUN
eurjchem-2634	31	204	1.407	1.407	NUM
eurjchem-2634	31	205	1.394	1.394	NUM
eurjchem-2634	31	206	c6	c6	PROPN
eurjchem-2634	31	207	-	-	PUNCT
eurjchem-2634	31	208	c10	c10	VERB
eurjchem-2634	31	209	-	-	PUNCT
eurjchem-2634	31	210	h16	h16	PROPN
eurjchem-2634	31	211	119.24	119.24	NUM
eurjchem-2634	31	212	c12	c12	PROPN
eurjchem-2634	31	213	-	-	PUNCT
eurjchem-2634	31	214	h17	h17	PROPN
eurjchem-2634	31	215	1.081	1.081	NUM
eurjchem-2634	31	216	c13	c13	NOUN
eurjchem-2634	31	217	-	-	PUNCT
eurjchem-2634	31	218	c10h16	c10h16	PROPN
eurjchem-2634	31	219	121.01	121.01	NUM
eurjchem-2634	31	220	c13	c13	PROPN
eurjchem-2634	31	221	-	-	PUNCT
eurjchem-2634	31	222	c14	c14	NOUN
eurjchem-2634	31	223	1.415	1.415	NUM
eurjchem-2634	31	224	1.406	1.406	NUM
eurjchem-2634	31	225	cl2	cl2	NOUN
eurjchem-2634	31	226	-	-	ADJ
eurjchem-2634	31	227	c11	c11	ADJ
eurjchem-2634	31	228	-	-	PUNCT
eurjchem-2634	31	229	c8	c8	PROPN
eurjchem-2634	31	230	118.68	118.68	NUM
eurjchem-2634	31	231	c13	c13	PROPN
eurjchem-2634	31	232	-	-	PUNCT
eurjchem-2634	31	233	h18	h18	NOUN
eurjchem-2634	31	234	1.083	1.083	NUM
eurjchem-2634	31	235	cl2	cl2	NOUN
eurjchem-2634	31	236	-	-	PUNCT
eurjchem-2634	31	237	c11	c11	NOUN
eurjchem-2634	31	238	-	-	PUNCT
eurjchem-2634	31	239	c12	c12	NOUN
eurjchem-2634	31	240	118.93	118.93	NUM
eurjchem-2634	31	241	c14	c14	NOUN
eurjchem-2634	31	242	-	-	PUNCT
eurjchem-2634	31	243	c15	c15	NOUN
eurjchem-2634	31	244	1.494	1.494	NUM
eurjchem-2634	31	245	c8	c8	NOUN
eurjchem-2634	31	246	-	-	PUNCT
eurjchem-2634	31	247	c11	c11	NOUN
eurjchem-2634	31	248	-	-	PUNCT
eurjchem-2634	31	249	c12	c12	NOUN
eurjchem-2634	31	250	122.39	122.39	NUM
eurjchem-2634	31	251	119.95	119.95	NUM
eurjchem-2634	31	252	c15	c15	PROPN
eurjchem-2634	31	253	-	-	PUNCT
eurjchem-2634	31	254	h19	h19	PROPN
eurjchem-2634	31	255	1.106	1.106	NUM
eurjchem-2634	31	256	c9	c9	NOUN
eurjchem-2634	31	257	-	-	PUNCT
eurjchem-2634	31	258	c12	c12	NOUN
eurjchem-2634	31	259	-	-	PUNCT
eurjchem-2634	31	260	c11	c11	NOUN
eurjchem-2634	31	261	119.79	119.79	NUM
eurjchem-2634	31	262	121.48	121.48	NUM
eurjchem-2634	31	263	rmsd	rmsd	NOUN
eurjchem-2634	31	264	0.02	0.02	NUM
eurjchem-2634	31	265	c9	c9	NOUN
eurjchem-2634	31	266	-	-	PUNCT
eurjchem-2634	31	267	c12	c12	NOUN
eurjchem-2634	31	268	-	-	PUNCT
eurjchem-2634	31	269	h17	h17	PROPN
eurjchem-2634	31	270	120.72	120.72	NUM
eurjchem-2634	31	271	c11	c11	NOUN
eurjchem-2634	31	272	-	-	PUNCT
eurjchem-2634	31	273	c12	c12	NOUN
eurjchem-2634	31	274	-	-	PUNCT
eurjchem-2634	31	275	h7	h7	PROPN
eurjchem-2634	31	276	119.48	119.48	NUM
eurjchem-2634	31	277	120.10	120.10	NUM
eurjchem-2634	31	278	c10	c10	PROPN
eurjchem-2634	31	279	-	-	PUNCT
eurjchem-2634	31	280	c13	c13	PROPN
eurjchem-2634	31	281	-	-	PUNCT
eurjchem-2634	31	282	c14	c14	NOUN
eurjchem-2634	31	283	118.53	118.53	NUM
eurjchem-2634	31	284	119.36	119.36	NUM
eurjchem-2634	31	285	c10	c10	PROPN
eurjchem-2634	31	286	-	-	PUNCT
eurjchem-2634	31	287	c13	c13	NOUN
eurjchem-2634	31	288	-	-	PUNCT
eurjchem-2634	31	289	h18	h18	PROPN
eurjchem-2634	31	290	122.27	122.27	NUM
eurjchem-2634	31	291	c14	c14	NOUN
eurjchem-2634	31	292	-	-	PUNCT
eurjchem-2634	31	293	c13	c13	PROPN
eurjchem-2634	31	294	-	-	PUNCT
eurjchem-2634	31	295	h18	h18	NOUN
eurjchem-2634	31	296	119.19	119.19	NUM
eurjchem-2634	31	297	n5	n5	PROPN
eurjchem-2634	31	298	-	-	PUNCT
eurjchem-2634	31	299	c14	c14	NOUN
eurjchem-2634	31	300	-	-	PUNCT
eurjchem-2634	31	301	c13	c13	NOUN
eurjchem-2634	31	302	123.72	123.72	NUM
eurjchem-2634	31	303	123.83	123.83	NUM
eurjchem-2634	31	304	n5	n5	PROPN
eurjchem-2634	31	305	-	-	PUNCT
eurjchem-2634	31	306	c14	c14	NOUN
eurjchem-2634	31	307	-	-	PUNCT
eurjchem-2634	31	308	c15	c15	NOUN
eurjchem-2634	31	309	115.39	115.39	NUM
eurjchem-2634	31	310	c13	c13	NOUN
eurjchem-2634	31	311	-	-	PUNCT
eurjchem-2634	31	312	c14	c14	NOUN
eurjchem-2634	31	313	-	-	PUNCT
eurjchem-2634	31	314	c	c	NOUN
eurjchem-2634	31	315	15	15	NUM
eurjchem-2634	31	316	120.88	120.88	NUM
eurjchem-2634	31	317	o4	o4	PROPN
eurjchem-2634	31	318	-	-	PUNCT
eurjchem-2634	31	319	c15	c15	NOUN
eurjchem-2634	31	320	-	-	PUNCT
eurjchem-2634	31	321	c14	c14	NOUN
eurjchem-2634	31	322	123.75	123.75	NUM
eurjchem-2634	31	323	o4	o4	PROPN
eurjchem-2634	31	324	-	-	PUNCT
eurjchem-2634	31	325	c15	c15	NOUN
eurjchem-2634	31	326	-	-	PUNCT
eurjchem-2634	31	327	h19	h19	PROPN
eurjchem-2634	31	328	122.58	122.58	NUM
eurjchem-2634	31	329	c14	c14	NOUN
eurjchem-2634	31	330	-	-	PUNCT
eurjchem-2634	31	331	c15	c15	NOUN
eurjchem-2634	31	332	-	-	PUNCT
eurjchem-2634	31	333	h19	h19	PROPN
eurjchem-2634	31	334	113.66	113.66	NUM
eurjchem-2634	31	335	rmsd	rmsd	NOUN
eurjchem-2634	31	336	1.08	1.08	NUM
eurjchem-2634	31	337	*	*	SYM
eurjchem-2634	31	338	5	5	NUM
eurjchem-2634	31	339	-	-	PUNCT
eurjchem-2634	31	340	chloro-8	chloro-8	NOUN
eurjchem-2634	31	341	-	-	PUNCT
eurjchem-2634	31	342	hydroxyquinoline	hydroxyquinoline	NOUN
eurjchem-2634	32	1	[	[	X
eurjchem-2634	32	2	22	22	NUM
eurjchem-2634	32	3	]	]	PUNCT
eurjchem-2634	32	4	.	.	PUNCT
eurjchem-2634	33	1	line-2	line-2	PROPN
eurjchem-2634	33	2	-	-	PUNCT
eurjchem-2634	33	3	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	33	4	molecule	molecule	NOUN
eurjchem-2634	33	5	using	use	VERB
eurjchem-2634	33	6	the	the	DET
eurjchem-2634	33	7	mmff	mmff	PROPN
eurjchem-2634	33	8	(	(	PUNCT
eurjchem-2634	33	9	molecular	molecular	ADJ
eurjchem-2634	33	10	mechanics	mechanic	NOUN
eurjchem-2634	33	11	approach	approach	NOUN
eurjchem-2634	33	12	)	)	PUNCT
eurjchem-2634	33	13	theory	theory	NOUN
eurjchem-2634	33	14	[	[	X
eurjchem-2634	33	15	11	11	NUM
eurjchem-2634	33	16	]	]	PUNCT
eurjchem-2634	33	17	.	.	PUNCT
eurjchem-2634	34	1	the	the	DET
eurjchem-2634	34	2	gaussian	gaussian	ADJ
eurjchem-2634	34	3	o9	o9	PROPN
eurjchem-2634	34	4	package	package	NOUN
eurjchem-2634	34	5	program	program	NOUN
eurjchem-2634	34	6	[	[	X
eurjchem-2634	34	7	12,13	12,13	NUM
eurjchem-2634	34	8	]	]	PUNCT
eurjchem-2634	34	9	was	be	AUX
eurjchem-2634	34	10	used	use	VERB
eurjchem-2634	34	11	to	to	PART
eurjchem-2634	34	12	calculate	calculate	VERB
eurjchem-2634	34	13	all	all	DET
eurjchem-2634	34	14	other	other	ADJ
eurjchem-2634	34	15	calculations	calculation	NOUN
eurjchem-2634	34	16	in	in	ADP
eurjchem-2634	34	17	the	the	DET
eurjchem-2634	34	18	study	study	NOUN
eurjchem-2634	34	19	.	.	PUNCT
eurjchem-2634	35	1	in	in	ADP
eurjchem-2634	35	2	addition	addition	NOUN
eurjchem-2634	35	3	,	,	PUNCT
eurjchem-2634	35	4	the	the	DET
eurjchem-2634	35	5	images	image	NOUN
eurjchem-2634	35	6	corresponding	correspond	VERB
eurjchem-2634	35	7	to	to	ADP
eurjchem-2634	35	8	these	these	DET
eurjchem-2634	35	9	calculations	calculation	NOUN
eurjchem-2634	35	10	were	be	AUX
eurjchem-2634	35	11	obtained	obtain	VERB
eurjchem-2634	35	12	from	from	ADP
eurjchem-2634	35	13	the	the	DET
eurjchem-2634	35	14	gauss	gauss	ADJ
eurjchem-2634	35	15	view	view	NOUN
eurjchem-2634	35	16	5.0	5.0	NUM
eurjchem-2634	35	17	program	program	NOUN
eurjchem-2634	35	18	[	[	X
eurjchem-2634	35	19	14	14	NUM
eurjchem-2634	35	20	]	]	PUNCT
eurjchem-2634	35	21	.	.	PUNCT
eurjchem-2634	36	1	the	the	DET
eurjchem-2634	36	2	dft	dft	PROPN
eurjchem-2634	36	3	/	/	SYM
eurjchem-2634	36	4	b3lyp/6	b3lyp/6	PROPN
eurjchem-2634	36	5	-	-	NOUN
eurjchem-2634	36	6	311++g(d	311++g(d	ADJ
eurjchem-2634	36	7	,	,	PUNCT
eurjchem-2634	36	8	p	p	NOUN
eurjchem-2634	36	9	)	)	PUNCT
eurjchem-2634	36	10	level	level	NOUN
eurjchem-2634	36	11	of	of	ADP
eurjchem-2634	36	12	theory	theory	NOUN
eurjchem-2634	36	13	was	be	AUX
eurjchem-2634	36	14	used	use	VERB
eurjchem-2634	36	15	for	for	ADP
eurjchem-2634	36	16	optimization	optimization	NOUN
eurjchem-2634	36	17	,	,	PUNCT
eurjchem-2634	36	18	frequency	frequency	NOUN
eurjchem-2634	36	19	,	,	PUNCT
eurjchem-2634	36	20	uv	uv	NOUN
eurjchem-2634	36	21	-	-	PUNCT
eurjchem-2634	36	22	vis	vis	X
eurjchem-2634	36	23	,	,	PUNCT
eurjchem-2634	36	24	electronic	electronic	ADJ
eurjchem-2634	36	25	,	,	PUNCT
eurjchem-2634	36	26	and	and	CCONJ
eurjchem-2634	36	27	optical	optical	ADJ
eurjchem-2634	36	28	properties	property	NOUN
eurjchem-2634	36	29	calculations	calculation	VERB
eurjchem-2634	37	1	[	[	X
eurjchem-2634	37	2	15	15	NUM
eurjchem-2634	37	3	]	]	PUNCT
eurjchem-2634	37	4	.	.	PUNCT
eurjchem-2634	38	1	uv	uv	NOUN
eurjchem-2634	38	2	-	-	PUNCT
eurjchem-2634	38	3	vis	vis	X
eurjchem-2634	38	4	calculations	calculation	NOUN
eurjchem-2634	38	5	were	be	AUX
eurjchem-2634	38	6	performed	perform	VERB
eurjchem-2634	38	7	for	for	ADP
eurjchem-2634	38	8	ethanol	ethanol	NOUN
eurjchem-2634	38	9	,	,	PUNCT
eurjchem-2634	38	10	dmso	dmso	NOUN
eurjchem-2634	38	11	,	,	PUNCT
eurjchem-2634	38	12	and	and	CCONJ
eurjchem-2634	38	13	water	water	NOUN
eurjchem-2634	38	14	solvent	solvent	NOUN
eurjchem-2634	38	15	.	.	PUNCT
eurjchem-2634	39	1	the	the	DET
eurjchem-2634	39	2	iefpcm	iefpcm	PROPN
eurjchem-2634	39	3	model	model	NOUN
eurjchem-2634	39	4	,	,	PUNCT
eurjchem-2634	39	5	the	the	DET
eurjchem-2634	39	6	gauge	gauge	NOUN
eurjchem-2634	39	7	-	-	PUNCT
eurjchem-2634	39	8	including	include	VERB
eurjchem-2634	39	9	atomic	atomic	ADJ
eurjchem-2634	39	10	orbital	orbital	NOUN
eurjchem-2634	39	11	(	(	PUNCT
eurjchem-2634	39	12	giao	giao	NOUN
eurjchem-2634	39	13	)	)	PUNCT
eurjchem-2634	39	14	method	method	NOUN
eurjchem-2634	39	15	and	and	CCONJ
eurjchem-2634	39	16	the	the	DET
eurjchem-2634	39	17	6311+g(2d	6311+g(2d	NUM
eurjchem-2634	39	18	,	,	PUNCT
eurjchem-2634	39	19	p	p	NOUN
eurjchem-2634	39	20	)	)	PUNCT
eurjchem-2634	39	21	basis	basis	NOUN
eurjchem-2634	39	22	set	set	NOUN
eurjchem-2634	39	23	were	be	AUX
eurjchem-2634	39	24	used	use	VERB
eurjchem-2634	39	25	to	to	PART
eurjchem-2634	39	26	perform	perform	VERB
eurjchem-2634	39	27	nmr	nmr	NOUN
eurjchem-2634	39	28	calculations	calculation	NOUN
eurjchem-2634	39	29	for	for	ADP
eurjchem-2634	39	30	ethanol	ethanol	NOUN
eurjchem-2634	39	31	,	,	PUNCT
eurjchem-2634	39	32	dmso	dmso	NOUN
eurjchem-2634	39	33	,	,	PUNCT
eurjchem-2634	39	34	and	and	CCONJ
eurjchem-2634	39	35	water	water	NOUN
eurjchem-2634	39	36	solvents	solvent	NOUN
eurjchem-2634	39	37	[	[	X
eurjchem-2634	39	38	16,17	16,17	NUM
eurjchem-2634	39	39	]	]	PUNCT
eurjchem-2634	39	40	.	.	PUNCT
eurjchem-2634	40	1	for	for	ADP
eurjchem-2634	40	2	the	the	DET
eurjchem-2634	40	3	5,7	5,7	NUM
eurjchem-2634	40	4	-	-	PUNCT
eurjchem-2634	40	5	dichloro-8	dichloro-8	VERB
eurjchem-2634	40	6	-	-	PUNCT
eurjchem-2634	40	7	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	40	8	-	-	PUNCT
eurjchem-2634	40	9	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	40	10	molecule	molecule	NOUN
eurjchem-2634	40	11	,	,	PUNCT
eurjchem-2634	40	12	a	a	DET
eurjchem-2634	40	13	graph	graph	NOUN
eurjchem-2634	40	14	has	have	AUX
eurjchem-2634	40	15	been	be	AUX
eurjchem-2634	40	16	plotted	plot	VERB
eurjchem-2634	40	17	with	with	ADP
eurjchem-2634	40	18	respect	respect	NOUN
eurjchem-2634	40	19	to	to	ADP
eurjchem-2634	40	20	the	the	DET
eurjchem-2634	40	21	total	total	ADJ
eurjchem-2634	40	22	density	density	NOUN
eurjchem-2634	40	23	of	of	ADP
eurjchem-2634	40	24	state	state	NOUN
eurjchem-2634	40	25	(	(	PUNCT
eurjchem-2634	40	26	tdos	tdo	NOUN
eurjchem-2634	40	27	)	)	PUNCT
eurjchem-2634	40	28	,	,	PUNCT
eurjchem-2634	40	29	the	the	DET
eurjchem-2634	40	30	partial	partial	ADJ
eurjchem-2634	40	31	density	density	NOUN
eurjchem-2634	40	32	of	of	ADP
eurjchem-2634	40	33	state	state	NOUN
eurjchem-2634	40	34	(	(	PUNCT
eurjchem-2634	40	35	pdos	pdo	NOUN
eurjchem-2634	40	36	)	)	PUNCT
eurjchem-2634	40	37	,	,	PUNCT
eurjchem-2634	40	38	and	and	CCONJ
eurjchem-2634	40	39	the	the	DET
eurjchem-2634	40	40	overlap	overlap	NOUN
eurjchem-2634	40	41	population	population	NOUN
eurjchem-2634	40	42	density	density	NOUN
eurjchem-2634	40	43	of	of	ADP
eurjchem-2634	40	44	state	state	NOUN
eurjchem-2634	40	45	(	(	PUNCT
eurjchem-2634	40	46	opdos	opdo	NOUN
eurjchem-2634	40	47	)	)	PUNCT
eurjchem-2634	40	48	.	.	PUNCT
eurjchem-2634	41	1	the	the	DET
eurjchem-2634	41	2	graph	graph	NOUN
eurjchem-2634	41	3	was	be	AUX
eurjchem-2634	41	4	plotted	plot	VERB
eurjchem-2634	41	5	with	with	ADP
eurjchem-2634	41	6	the	the	DET
eurjchem-2634	41	7	aid	aid	NOUN
eurjchem-2634	41	8	of	of	ADP
eurjchem-2634	41	9	a	a	DET
eurjchem-2634	41	10	multiifwn	multiifwn	ADJ
eurjchem-2634	41	11	analyzer	analyzer	NOUN
eurjchem-2634	41	12	,	,	PUNCT
eurjchem-2634	41	13	which	which	PRON
eurjchem-2634	41	14	examined	examine	VERB
eurjchem-2634	41	15	and	and	CCONJ
eurjchem-2634	41	16	translated	translate	VERB
eurjchem-2634	41	17	the	the	DET
eurjchem-2634	41	18	main	main	ADJ
eurjchem-2634	41	19	contribution	contribution	NOUN
eurjchem-2634	41	20	of	of	ADP
eurjchem-2634	41	21	each	each	DET
eurjchem-2634	41	22	set	set	NOUN
eurjchem-2634	41	23	of	of	ADP
eurjchem-2634	41	24	molecular	molecular	ADJ
eurjchem-2634	41	25	orbitals	orbital	NOUN
eurjchem-2634	41	26	[	[	X
eurjchem-2634	41	27	18	18	NUM
eurjchem-2634	41	28	]	]	PUNCT
eurjchem-2634	41	29	.	.	PUNCT
eurjchem-2634	42	1	furthermore	furthermore	ADV
eurjchem-2634	42	2	,	,	PUNCT
eurjchem-2634	42	3	electron	electron	NOUN
eurjchem-2634	42	4	localization	localization	NOUN
eurjchem-2634	42	5	function	function	NOUN
eurjchem-2634	42	6	(	(	PUNCT
eurjchem-2634	42	7	elf	elf	NOUN
eurjchem-2634	42	8	)	)	PUNCT
eurjchem-2634	42	9	and	and	CCONJ
eurjchem-2634	42	10	localized	localize	VERB
eurjchem-2634	42	11	orbital	orbital	ADJ
eurjchem-2634	42	12	locator	locator	NOUN
eurjchem-2634	42	13	(	(	PUNCT
eurjchem-2634	42	14	lol	lol	ADJ
eurjchem-2634	42	15	)	)	PUNCT
eurjchem-2634	42	16	surface	surface	NOUN
eurjchem-2634	42	17	maps	map	NOUN
eurjchem-2634	42	18	were	be	AUX
eurjchem-2634	42	19	produced	produce	VERB
eurjchem-2634	42	20	using	use	VERB
eurjchem-2634	42	21	the	the	DET
eurjchem-2634	42	22	multiwfn	multiwfn	PROPN
eurjchem-2634	42	23	program	program	NOUN
eurjchem-2634	42	24	[	[	X
eurjchem-2634	42	25	18	18	NUM
eurjchem-2634	42	26	]	]	PUNCT
eurjchem-2634	42	27	.	.	PUNCT
eurjchem-2634	43	1	3	3	X
eurjchem-2634	43	2	.	.	NOUN
eurjchem-2634	43	3	results	result	NOUN
eurjchem-2634	43	4	and	and	CCONJ
eurjchem-2634	43	5	discussion	discussion	NOUN
eurjchem-2634	43	6	3.1	3.1	NUM
eurjchem-2634	43	7	.	.	PUNCT
eurjchem-2634	44	1	conformational	conformational	ADJ
eurjchem-2634	44	2	analysis	analysis	NOUN
eurjchem-2634	44	3	and	and	CCONJ
eurjchem-2634	44	4	optimization	optimization	NOUN
eurjchem-2634	44	5	calculations	calculation	NOUN
eurjchem-2634	44	6	before	before	SCONJ
eurjchem-2634	44	7	optimization	optimization	NOUN
eurjchem-2634	44	8	calculations	calculation	NOUN
eurjchem-2634	44	9	are	be	AUX
eurjchem-2634	44	10	performed	perform	VERB
eurjchem-2634	44	11	,	,	PUNCT
eurjchem-2634	44	12	conformer	conformer	NOUN
eurjchem-2634	44	13	analysis	analysis	NOUN
eurjchem-2634	44	14	is	be	AUX
eurjchem-2634	44	15	a	a	DET
eurjchem-2634	44	16	crucial	crucial	ADJ
eurjchem-2634	44	17	step	step	NOUN
eurjchem-2634	44	18	in	in	ADP
eurjchem-2634	44	19	determining	determine	VERB
eurjchem-2634	44	20	the	the	DET
eurjchem-2634	44	21	most	most	ADV
eurjchem-2634	44	22	thermodynamically	thermodynamically	ADV
eurjchem-2634	44	23	stable	stable	ADJ
eurjchem-2634	44	24	structure	structure	NOUN
eurjchem-2634	44	25	of	of	ADP
eurjchem-2634	44	26	a	a	DET
eurjchem-2634	44	27	molecule	molecule	NOUN
eurjchem-2634	44	28	based	base	VERB
eurjchem-2634	44	29	on	on	ADP
eurjchem-2634	44	30	torsional	torsional	ADJ
eurjchem-2634	44	31	angles	angle	NOUN
eurjchem-2634	44	32	[	[	PUNCT
eurjchem-2634	44	33	19	19	NUM
eurjchem-2634	44	34	-	-	SYM
eurjchem-2634	44	35	21	21	NUM
eurjchem-2634	44	36	]	]	PUNCT
eurjchem-2634	44	37	.	.	PUNCT
eurjchem-2634	45	1	using	use	VERB
eurjchem-2634	45	2	the	the	DET
eurjchem-2634	45	3	mmff	mmff	PROPN
eurjchem-2634	45	4	theory	theory	NOUN
eurjchem-2634	45	5	and	and	CCONJ
eurjchem-2634	45	6	the	the	DET
eurjchem-2634	45	7	molecular	molecular	ADJ
eurjchem-2634	45	8	mechanics	mechanic	NOUN
eurjchem-2634	45	9	approach	approach	NOUN
eurjchem-2634	45	10	,	,	PUNCT
eurjchem-2634	45	11	we	we	PRON
eurjchem-2634	45	12	conducted	conduct	VERB
eurjchem-2634	45	13	conformational	conformational	ADJ
eurjchem-2634	45	14	analyzes	analyze	NOUN
eurjchem-2634	45	15	of	of	ADP
eurjchem-2634	45	16	the	the	DET
eurjchem-2634	45	17	title	title	NOUN
eurjchem-2634	45	18	molecule	molecule	NOUN
eurjchem-2634	45	19	in	in	ADP
eurjchem-2634	45	20	the	the	DET
eurjchem-2634	45	21	spartan	spartan	ADJ
eurjchem-2634	45	22	08	08	NUM
eurjchem-2634	45	23	package	package	NOUN
eurjchem-2634	45	24	program	program	NOUN
eurjchem-2634	45	25	[	[	X
eurjchem-2634	45	26	11	11	NUM
eurjchem-2634	45	27	]	]	PUNCT
eurjchem-2634	45	28	.	.	PUNCT
eurjchem-2634	46	1	as	as	ADP
eurjchem-2634	46	2	a	a	DET
eurjchem-2634	46	3	result	result	NOUN
eurjchem-2634	46	4	of	of	ADP
eurjchem-2634	46	5	the	the	DET
eurjchem-2634	46	6	calculations	calculation	NOUN
eurjchem-2634	46	7	,	,	PUNCT
eurjchem-2634	46	8	two	two	NUM
eurjchem-2634	46	9	conformer	conformer	NOUN
eurjchem-2634	46	10	structures	structure	NOUN
eurjchem-2634	46	11	were	be	AUX
eurjchem-2634	46	12	found	find	VERB
eurjchem-2634	46	13	.	.	PUNCT
eurjchem-2634	47	1	these	these	DET
eurjchem-2634	47	2	structures	structure	NOUN
eurjchem-2634	47	3	are	be	AUX
eurjchem-2634	47	4	given	give	VERB
eurjchem-2634	47	5	in	in	ADP
eurjchem-2634	47	6	figure	figure	NOUN
eurjchem-2634	47	7	1	1	NUM
eurjchem-2634	47	8	with	with	ADP
eurjchem-2634	47	9	energy	energy	NOUN
eurjchem-2634	47	10	and	and	CCONJ
eurjchem-2634	47	11	boltzmann	boltzmann	NOUN
eurjchem-2634	47	12	distribution	distribution	NOUN
eurjchem-2634	47	13	values	value	NOUN
eurjchem-2634	47	14	.	.	PUNCT
eurjchem-2634	48	1	since	since	SCONJ
eurjchem-2634	48	2	the	the	DET
eurjchem-2634	48	3	boltzmann	boltzmann	PROPN
eurjchem-2634	48	4	distribution	distribution	NOUN
eurjchem-2634	48	5	for	for	ADP
eurjchem-2634	48	6	the	the	DET
eurjchem-2634	48	7	conformer	conformer	NOUN
eurjchem-2634	48	8	i	i	PRON
eurjchem-2634	48	9	structure	structure	NOUN
eurjchem-2634	48	10	was	be	AUX
eurjchem-2634	48	11	found	find	VERB
eurjchem-2634	48	12	to	to	PART
eurjchem-2634	48	13	be	be	AUX
eurjchem-2634	48	14	1.00	1.00	NUM
eurjchem-2634	48	15	and	and	CCONJ
eurjchem-2634	48	16	the	the	DET
eurjchem-2634	48	17	energy	energy	NOUN
eurjchem-2634	48	18	value	value	NOUN
eurjchem-2634	48	19	was	be	AUX
eurjchem-2634	48	20	found	find	VERB
eurjchem-2634	48	21	to	to	PART
eurjchem-2634	48	22	be	be	AUX
eurjchem-2634	48	23	3.13	3.13	NUM
eurjchem-2634	48	24	ev	ev	NOUN
eurjchem-2634	48	25	,	,	PUNCT
eurjchem-2634	48	26	optimization	optimization	NOUN
eurjchem-2634	48	27	calculations	calculation	NOUN
eurjchem-2634	48	28	were	be	AUX
eurjchem-2634	48	29	performed	perform	VERB
eurjchem-2634	48	30	for	for	ADP
eurjchem-2634	48	31	this	this	DET
eurjchem-2634	48	32	structure	structure	NOUN
eurjchem-2634	48	33	.	.	PUNCT
eurjchem-2634	49	1	in	in	ADP
eurjchem-2634	49	2	addition	addition	NOUN
eurjchem-2634	49	3	,	,	PUNCT
eurjchem-2634	49	4	the	the	DET
eurjchem-2634	49	5	optimized	optimize	VERB
eurjchem-2634	49	6	conformer	conformer	NOUN
eurjchem-2634	49	7	i	i	PRON
eurjchem-2634	49	8	structure	structure	NOUN
eurjchem-2634	49	9	was	be	AUX
eurjchem-2634	49	10	used	use	VERB
eurjchem-2634	49	11	in	in	ADP
eurjchem-2634	49	12	the	the	DET
eurjchem-2634	49	13	calculations	calculation	NOUN
eurjchem-2634	49	14	performed	perform	VERB
eurjchem-2634	49	15	for	for	ADP
eurjchem-2634	49	16	spectroscopic	spectroscopic	ADJ
eurjchem-2634	49	17	and	and	CCONJ
eurjchem-2634	49	18	electronic	electronic	ADJ
eurjchem-2634	49	19	properties	property	NOUN
eurjchem-2634	49	20	.	.	PUNCT
eurjchem-2634	50	1	the	the	DET
eurjchem-2634	50	2	optimized	optimize	VERB
eurjchem-2634	50	3	structure	structure	NOUN
eurjchem-2634	50	4	is	be	AUX
eurjchem-2634	50	5	presented	present	VERB
eurjchem-2634	50	6	in	in	ADP
eurjchem-2634	50	7	figure	figure	NOUN
eurjchem-2634	50	8	2	2	NUM
eurjchem-2634	50	9	.	.	PUNCT
eurjchem-2634	51	1	the	the	DET
eurjchem-2634	51	2	values	value	NOUN
eurjchem-2634	51	3	of	of	ADP
eurjchem-2634	51	4	the	the	DET
eurjchem-2634	51	5	bond	bond	NOUN
eurjchem-2634	51	6	lengths	length	NOUN
eurjchem-2634	51	7	and	and	CCONJ
eurjchem-2634	51	8	bond	bond	NOUN
eurjchem-2634	51	9	angles	angle	NOUN
eurjchem-2634	51	10	are	be	AUX
eurjchem-2634	51	11	listed	list	VERB
eurjchem-2634	51	12	in	in	ADP
eurjchem-2634	51	13	table	table	NOUN
eurjchem-2634	51	14	1	1	NUM
eurjchem-2634	51	15	.	.	PUNCT
eurjchem-2634	52	1	furthermore	furthermore	ADV
eurjchem-2634	52	2	,	,	PUNCT
eurjchem-2634	52	3	the	the	DET
eurjchem-2634	52	4	calculated	calculated	ADJ
eurjchem-2634	52	5	values	value	NOUN
eurjchem-2634	52	6	were	be	AUX
eurjchem-2634	52	7	compared	compare	VERB
eurjchem-2634	52	8	with	with	ADP
eurjchem-2634	52	9	the	the	DET
eurjchem-2634	52	10	bond	bond	NOUN
eurjchem-2634	52	11	length	length	NOUN
eurjchem-2634	52	12	and	and	CCONJ
eurjchem-2634	52	13	bond	bond	NOUN
eurjchem-2634	52	14	angle	angle	NOUN
eurjchem-2634	52	15	values	value	NOUN
eurjchem-2634	52	16	obtained	obtain	VERB
eurjchem-2634	52	17	from	from	ADP
eurjchem-2634	52	18	the	the	DET
eurjchem-2634	52	19	x	x	NOUN
eurjchem-2634	52	20	-	-	NOUN
eurjchem-2634	52	21	ray	ray	NOUN
eurjchem-2634	52	22	diffraction	diffraction	NOUN
eurjchem-2634	52	23	(	(	PUNCT
eurjchem-2634	52	24	xrd	xrd	NOUN
eurjchem-2634	52	25	)	)	PUNCT
eurjchem-2634	52	26	data	datum	NOUN
eurjchem-2634	52	27	of	of	ADP
eurjchem-2634	52	28	the	the	DET
eurjchem-2634	52	29	5	5	NUM
eurjchem-2634	52	30	-	-	PUNCT
eurjchem-2634	52	31	chloro-8	chloro-8	NOUN
eurjchem-2634	52	32	-	-	PUNCT
eurjchem-2634	52	33	hydroxyquinoline	hydroxyquinoline	NOUN
eurjchem-2634	52	34	molecule	molecule	NOUN
eurjchem-2634	52	35	[	[	X
eurjchem-2634	52	36	22	22	NUM
eurjchem-2634	52	37	]	]	PUNCT
eurjchem-2634	52	38	.	.	PUNCT
eurjchem-2634	53	1	the	the	DET
eurjchem-2634	53	2	bond	bond	NOUN
eurjchem-2634	53	3	lengths	length	NOUN
eurjchem-2634	53	4	of	of	ADP
eurjchem-2634	53	5	o3	o3	PROPN
eurjchem-2634	53	6	-	-	PUNCT
eurjchem-2634	53	7	c8	c8	PROPN
eurjchem-2634	53	8	and	and	CCONJ
eurjchem-2634	53	9	o4	o4	PROPN
eurjchem-2634	53	10	=	=	NOUN
eurjchem-2634	53	11	c15	c15	NOUN
eurjchem-2634	53	12	were	be	AUX
eurjchem-2634	53	13	calculated	calculate	VERB
eurjchem-2634	53	14	as	as	ADP
eurjchem-2634	53	15	1.343	1.343	NUM
eurjchem-2634	53	16	and	and	CCONJ
eurjchem-2634	53	17	1.208	1.208	NUM
eurjchem-2634	53	18	å	å	NOUN
eurjchem-2634	53	19	,	,	PUNCT
eurjchem-2634	53	20	while	while	SCONJ
eurjchem-2634	53	21	the	the	DET
eurjchem-2634	53	22	o3	o3	PROPN
eurjchem-2634	53	23	-	-	PUNCT
eurjchem-2634	53	24	c8	c8	PROPN
eurjchem-2634	53	25	bond	bond	NOUN
eurjchem-2634	53	26	length	length	NOUN
eurjchem-2634	53	27	for	for	ADP
eurjchem-2634	53	28	the	the	DET
eurjchem-2634	53	29	5	5	NUM
eurjchem-2634	53	30	-	-	PUNCT
eurjchem-2634	53	31	chloro8	chloro8	NOUN
eurjchem-2634	53	32	-	-	PUNCT
eurjchem-2634	53	33	hydroxyquinoline	hydroxyquinoline	NOUN
eurjchem-2634	53	34	molecule	molecule	NOUN
eurjchem-2634	53	35	was	be	AUX
eurjchem-2634	53	36	reported	report	VERB
eurjchem-2634	53	37	as	as	ADP
eurjchem-2634	53	38	1.330	1.330	NUM
eurjchem-2634	53	39	å	å	PROPN
eurjchem-2634	54	1	[	[	X
eurjchem-2634	54	2	22	22	NUM
eurjchem-2634	54	3	]	]	PUNCT
eurjchem-2634	54	4	.	.	PUNCT
eurjchem-2634	55	1	the	the	DET
eurjchem-2634	55	2	bond	bond	NOUN
eurjchem-2634	55	3	lengths	length	NOUN
eurjchem-2634	55	4	for	for	ADP
eurjchem-2634	55	5	n5	n5	PROPN
eurjchem-2634	55	6	-	-	PUNCT
eurjchem-2634	55	7	c7	c7	PROPN
eurjchem-2634	55	8	and	and	CCONJ
eurjchem-2634	55	9	n5	n5	PROPN
eurjchem-2634	55	10	-	-	PUNCT
eurjchem-2634	55	11	c14	c14	NOUN
eurjchem-2634	55	12	were	be	AUX
eurjchem-2634	55	13	1.351	1.351	NUM
eurjchem-2634	55	14	and	and	CCONJ
eurjchem-2634	55	15	1.319	1.319	NUM
eurjchem-2634	55	16	å	å	NOUN
eurjchem-2634	55	17	,	,	PUNCT
eurjchem-2634	55	18	while	while	SCONJ
eurjchem-2634	55	19	these	these	DET
eurjchem-2634	55	20	values	value	NOUN
eurjchem-2634	55	21	for	for	ADP
eurjchem-2634	55	22	the	the	DET
eurjchem-2634	55	23	crystal	crystal	NOUN
eurjchem-2634	55	24	structure	structure	NOUN
eurjchem-2634	55	25	of	of	ADP
eurjchem-2634	55	26	the	the	DET
eurjchem-2634	55	27	given	give	VERB
eurjchem-2634	55	28	example	example	NOUN
eurjchem-2634	55	29	were	be	AUX
eurjchem-2634	55	30	1.368	1.368	NUM
eurjchem-2634	55	31	and	and	CCONJ
eurjchem-2634	55	32	1.322	1.322	NUM
eurjchem-2634	55	33	å	å	PROPN
eurjchem-2634	56	1	[	[	X
eurjchem-2634	56	2	22	22	NUM
eurjchem-2634	56	3	]	]	PUNCT
eurjchem-2634	56	4	.	.	PUNCT
eurjchem-2634	57	1	the	the	DET
eurjchem-2634	57	2	bond	bond	NOUN
eurjchem-2634	57	3	lengths	length	NOUN
eurjchem-2634	57	4	for	for	ADP
eurjchem-2634	57	5	cl1	cl1	NOUN
eurjchem-2634	57	6	-	-	PUNCT
eurjchem-2634	57	7	c9	c9	NOUN
eurjchem-2634	57	8	and	and	CCONJ
eurjchem-2634	57	9	cl2	cl2	NOUN
eurjchem-2634	57	10	-	-	ADJ
eurjchem-2634	57	11	c11	c11	NOUN
eurjchem-2634	57	12	formed	form	VERB
eurjchem-2634	57	13	by	by	ADP
eurjchem-2634	57	14	cl	cl	NOUN
eurjchem-2634	57	15	atoms	atom	NOUN
eurjchem-2634	57	16	at	at	ADP
eurjchem-2634	57	17	positions	position	NOUN
eurjchem-2634	57	18	5	5	NUM
eurjchem-2634	57	19	and	and	CCONJ
eurjchem-2634	57	20	7	7	NUM
eurjchem-2634	57	21	of	of	ADP
eurjchem-2634	57	22	the	the	DET
eurjchem-2634	57	23	title	title	NOUN
eurjchem-2634	57	24	molecule	molecule	NOUN
eurjchem-2634	57	25	were	be	AUX
eurjchem-2634	57	26	calculated	calculate	VERB
eurjchem-2634	57	27	as	as	ADP
eurjchem-2634	57	28	1.758	1.758	NUM
eurjchem-2634	57	29	å	å	PROPN
eurjchem-2634	57	30	.	.	PUNCT
eurjchem-2634	58	1	the	the	DET
eurjchem-2634	58	2	bond	bond	NOUN
eurjchem-2634	58	3	length	length	NOUN
eurjchem-2634	58	4	of	of	ADP
eurjchem-2634	58	5	cl1	cl1	NOUN
eurjchem-2634	58	6	-	-	PUNCT
eurjchem-2634	58	7	c9	c9	NOUN
eurjchem-2634	58	8	in	in	ADP
eurjchem-2634	58	9	the	the	DET
eurjchem-2634	58	10	structure	structure	NOUN
eurjchem-2634	58	11	presented	present	VERB
eurjchem-2634	58	12	for	for	ADP
eurjchem-2634	58	13	comparison	comparison	NOUN
eurjchem-2634	58	14	is	be	AUX
eurjchem-2634	58	15	1.823	1.823	NUM
eurjchem-2634	58	16	å	å	PROPN
eurjchem-2634	58	17	[	[	X
eurjchem-2634	58	18	22	22	NUM
eurjchem-2634	58	19	]	]	PUNCT
eurjchem-2634	58	20	.	.	PUNCT
eurjchem-2634	59	1	the	the	DET
eurjchem-2634	59	2	bond	bond	NOUN
eurjchem-2634	59	3	length	length	NOUN
eurjchem-2634	59	4	values	value	NOUN
eurjchem-2634	59	5	of	of	ADP
eurjchem-2634	59	6	the	the	DET
eurjchem-2634	59	7	carbon	carbon	NOUN
eurjchem-2634	59	8	atoms	atom	NOUN
eurjchem-2634	59	9	in	in	ADP
eurjchem-2634	59	10	the	the	DET
eurjchem-2634	59	11	ring	ring	NOUN
eurjchem-2634	59	12	were	be	AUX
eurjchem-2634	59	13	calculated	calculate	VERB
eurjchem-2634	59	14	to	to	PART
eurjchem-2634	59	15	be	be	AUX
eurjchem-2634	59	16	very	very	ADV
eurjchem-2634	59	17	close	close	ADJ
eurjchem-2634	59	18	to	to	ADP
eurjchem-2634	59	19	the	the	DET
eurjchem-2634	59	20	values	value	NOUN
eurjchem-2634	59	21	of	of	ADP
eurjchem-2634	59	22	the	the	DET
eurjchem-2634	59	23	molecule	molecule	NOUN
eurjchem-2634	59	24	presented	present	VERB
eurjchem-2634	59	25	for	for	ADP
eurjchem-2634	59	26	comparison	comparison	NOUN
eurjchem-2634	59	27	.	.	PUNCT
eurjchem-2634	60	1	the	the	DET
eurjchem-2634	60	2	bond	bond	NOUN
eurjchem-2634	60	3	angles	angle	NOUN
eurjchem-2634	60	4	of	of	ADP
eurjchem-2634	60	5	o3	o3	PROPN
eurjchem-2634	60	6	-	-	PUNCT
eurjchem-2634	60	7	c8	c8	PROPN
eurjchem-2634	60	8	-	-	PUNCT
eurjchem-2634	60	9	c7	c7	PROPN
eurjchem-2634	60	10	,	,	PUNCT
eurjchem-2634	60	11	o3	o3	PROPN
eurjchem-2634	60	12	-	-	PUNCT
eurjchem-2634	60	13	c7	c7	PROPN
eurjchem-2634	60	14	-	-	PUNCT
eurjchem-2634	60	15	c11	c11	NOUN
eurjchem-2634	60	16	,	,	PUNCT
eurjchem-2634	60	17	and	and	CCONJ
eurjchem-2634	60	18	o4	o4	PROPN
eurjchem-2634	60	19	-	-	PUNCT
eurjchem-2634	60	20	c15	c15	NOUN
eurjchem-2634	60	21	-	-	PUNCT
eurjchem-2634	60	22	c14	c14	NOUN
eurjchem-2634	60	23	were	be	AUX
eurjchem-2634	60	24	calculated	calculate	VERB
eurjchem-2634	60	25	as	as	ADP
eurjchem-2634	60	26	117.89	117.89	NUM
eurjchem-2634	60	27	,	,	PUNCT
eurjchem-2634	60	28	123.87	123.87	NUM
eurjchem-2634	60	29	,	,	PUNCT
eurjchem-2634	60	30	and	and	CCONJ
eurjchem-2634	60	31	123.75	123.75	NUM
eurjchem-2634	60	32	°	°	NOUN
eurjchem-2634	60	33	,	,	PUNCT
eurjchem-2634	60	34	respectively	respectively	ADV
eurjchem-2634	60	35	.	.	PUNCT
eurjchem-2634	61	1	although	although	SCONJ
eurjchem-2634	61	2	the	the	DET
eurjchem-2634	61	3	c7	c7	PROPN
eurjchem-2634	61	4	-	-	PUNCT
eurjchem-2634	61	5	n5	n5	PROPN
eurjchem-2634	61	6	-	-	PUNCT
eurjchem-2634	61	7	c14	c14	NOUN
eurjchem-2634	61	8	bond	bond	NOUN
eurjchem-2634	61	9	angle	angle	NOUN
eurjchem-2634	61	10	was	be	AUX
eurjchem-2634	61	11	found	find	VERB
eurjchem-2634	61	12	to	to	PART
eurjchem-2634	61	13	be	be	AUX
eurjchem-2634	61	14	118.61	118.61	NUM
eurjchem-2634	61	15	°	°	NOUN
eurjchem-2634	61	16	in	in	ADP
eurjchem-2634	61	17	theoretical	theoretical	ADJ
eurjchem-2634	61	18	calculations	calculation	NOUN
eurjchem-2634	61	19	,	,	PUNCT
eurjchem-2634	61	20	this	this	DET
eurjchem-2634	61	21	angle	angle	NOUN
eurjchem-2634	61	22	value	value	NOUN
eurjchem-2634	61	23	was	be	AUX
eurjchem-2634	61	24	reported	report	VERB
eurjchem-2634	61	25	as	as	ADP
eurjchem-2634	61	26	117.04	117.04	NUM
eurjchem-2634	61	27	°	°	NOUN
eurjchem-2634	61	28	for	for	ADP
eurjchem-2634	61	29	5	5	NUM
eurjchem-2634	61	30	-	-	PUNCT
eurjchem-2634	61	31	chloro-8	chloro-8	NOUN
eurjchem-2634	61	32	-	-	PUNCT
eurjchem-2634	61	33	hydroxyquinoline	hydroxyquinoline	NOUN
eurjchem-2634	61	34	xrd	xrd	NOUN
eurjchem-2634	61	35	data	datum	NOUN
eurjchem-2634	61	36	[	[	X
eurjchem-2634	61	37	22	22	NUM
eurjchem-2634	61	38	]	]	PUNCT
eurjchem-2634	61	39	.	.	PUNCT
eurjchem-2634	62	1	the	the	DET
eurjchem-2634	62	2	cl1	cl1	PROPN
eurjchem-2634	62	3	-	-	PUNCT
eurjchem-2634	62	4	c9	c9	NOUN
eurjchem-2634	62	5	-	-	PUNCT
eurjchem-2634	62	6	c6	c6	PROPN
eurjchem-2634	62	7	and	and	CCONJ
eurjchem-2634	62	8	cl1	cl1	PROPN
eurjchem-2634	62	9	-	-	PUNCT
eurjchem-2634	62	10	c9	c9	NOUN
eurjchem-2634	62	11	-	-	PUNCT
eurjchem-2634	62	12	c12	c12	NOUN
eurjchem-2634	62	13	angles	angle	NOUN
eurjchem-2634	62	14	were	be	AUX
eurjchem-2634	62	15	calculated	calculate	VERB
eurjchem-2634	62	16	as	as	ADP
eurjchem-2634	62	17	120.30	120.30	NUM
eurjchem-2634	62	18	and	and	CCONJ
eurjchem-2634	62	19	118.61	118.61	NUM
eurjchem-2634	62	20	°	°	NOUN
eurjchem-2634	62	21	,	,	PUNCT
eurjchem-2634	62	22	and	and	CCONJ
eurjchem-2634	62	23	these	these	DET
eurjchem-2634	62	24	angle	angle	NOUN
eurjchem-2634	62	25	values	value	NOUN
eurjchem-2634	62	26	were	be	AUX
eurjchem-2634	62	27	measured	measure	VERB
eurjchem-2634	62	28	as	as	ADP
eurjchem-2634	62	29	119.58	119.58	NUM
eurjchem-2634	62	30	and	and	CCONJ
eurjchem-2634	62	31	119.86	119.86	NUM
eurjchem-2634	62	32	°	°	NOUN
eurjchem-2634	62	33	in	in	ADP
eurjchem-2634	62	34	the	the	DET
eurjchem-2634	62	35	xrd	xrd	NOUN
eurjchem-2634	62	36	data	datum	NOUN
eurjchem-2634	62	37	of	of	ADP
eurjchem-2634	62	38	the	the	DET
eurjchem-2634	62	39	sample	sample	NOUN
eurjchem-2634	62	40	molecule	molecule	NOUN
eurjchem-2634	63	1	[	[	X
eurjchem-2634	63	2	22	22	NUM
eurjchem-2634	63	3	]	]	PUNCT
eurjchem-2634	63	4	.	.	PUNCT
eurjchem-2634	64	1	the	the	DET
eurjchem-2634	64	2	cl2	cl2	NOUN
eurjchem-2634	64	3	-	-	ADJ
eurjchem-2634	64	4	c11	c11	NOUN
eurjchem-2634	64	5	-	-	PUNCT
eurjchem-2634	64	6	c8	c8	PROPN
eurjchem-2634	64	7	and	and	CCONJ
eurjchem-2634	64	8	cl2	cl2	NOUN
eurjchem-2634	64	9	-	-	ADJ
eurjchem-2634	64	10	c11	c11	ADJ
eurjchem-2634	64	11	-	-	PUNCT
eurjchem-2634	64	12	c12	c12	NOUN
eurjchem-2634	64	13	bond	bond	NOUN
eurjchem-2634	64	14	angles	angle	NOUN
eurjchem-2634	64	15	were	be	AUX
eurjchem-2634	64	16	calculated	calculate	VERB
eurjchem-2634	64	17	as	as	ADP
eurjchem-2634	64	18	118.68	118.68	NUM
eurjchem-2634	64	19	and	and	CCONJ
eurjchem-2634	64	20	118.93	118.93	NUM
eurjchem-2634	64	21	°	°	NOUN
eurjchem-2634	64	22	.	.	PUNCT
eurjchem-2634	65	1	in	in	ADP
eurjchem-2634	65	2	addition	addition	NOUN
eurjchem-2634	65	3	,	,	PUNCT
eurjchem-2634	65	4	the	the	DET
eurjchem-2634	65	5	values	value	NOUN
eurjchem-2634	65	6	in	in	ADP
eurjchem-2634	65	7	the	the	DET
eurjchem-2634	65	8	xrd	xrd	NOUN
eurjchem-2634	65	9	data	datum	NOUN
eurjchem-2634	65	10	of	of	ADP
eurjchem-2634	65	11	the	the	DET
eurjchem-2634	65	12	sample	sample	NOUN
eurjchem-2634	65	13	molecule	molecule	NOUN
eurjchem-2634	65	14	in	in	ADP
eurjchem-2634	65	15	the	the	DET
eurjchem-2634	65	16	ring	ring	NOUN
eurjchem-2634	65	17	angles	angle	NOUN
eurjchem-2634	65	18	were	be	AUX
eurjchem-2634	65	19	calculated	calculate	VERB
eurjchem-2634	65	20	quite	quite	ADV
eurjchem-2634	65	21	closely	closely	ADV
eurjchem-2634	65	22	.	.	PUNCT
eurjchem-2634	66	1	root	root	NOUN
eurjchem-2634	66	2	mean	mean	ADJ
eurjchem-2634	66	3	square	square	ADJ
eurjchem-2634	66	4	deviation	deviation	NOUN
eurjchem-2634	66	5	(	(	PUNCT
eurjchem-2634	66	6	rmsd	rmsd	NOUN
eurjchem-2634	66	7	)	)	PUNCT
eurjchem-2634	66	8	values	value	NOUN
eurjchem-2634	66	9	were	be	AUX
eurjchem-2634	66	10	calculated	calculate	VERB
eurjchem-2634	66	11	to	to	PART
eurjchem-2634	66	12	show	show	VERB
eurjchem-2634	66	13	the	the	DET
eurjchem-2634	66	14	agreement	agreement	NOUN
eurjchem-2634	66	15	between	between	ADP
eurjchem-2634	66	16	the	the	DET
eurjchem-2634	66	17	length	length	NOUN
eurjchem-2634	66	18	of	of	ADP
eurjchem-2634	66	19	the	the	DET
eurjchem-2634	66	20	bond	bond	NOUN
eurjchem-2634	66	21	and	and	CCONJ
eurjchem-2634	66	22	the	the	DET
eurjchem-2634	66	23	angles	angle	NOUN
eurjchem-2634	66	24	of	of	ADP
eurjchem-2634	66	25	the	the	DET
eurjchem-2634	66	26	bond	bond	NOUN
eurjchem-2634	66	27	,	,	PUNCT
eurjchem-2634	66	28	and	and	CCONJ
eurjchem-2634	66	29	this	this	DET
eurjchem-2634	66	30	value	value	NOUN
eurjchem-2634	66	31	was	be	AUX
eurjchem-2634	66	32	found	find	VERB
eurjchem-2634	66	33	to	to	PART
eurjchem-2634	66	34	be	be	AUX
eurjchem-2634	66	35	0.02	0.02	NUM
eurjchem-2634	66	36	for	for	ADP
eurjchem-2634	66	37	the	the	DET
eurjchem-2634	66	38	length	length	NOUN
eurjchem-2634	66	39	of	of	ADP
eurjchem-2634	66	40	the	the	DET
eurjchem-2634	66	41	bond	bond	NOUN
eurjchem-2634	66	42	and	and	CCONJ
eurjchem-2634	66	43	1.08	1.08	NUM
eurjchem-2634	66	44	for	for	ADP
eurjchem-2634	66	45	the	the	DET
eurjchem-2634	66	46	angles	angle	NOUN
eurjchem-2634	66	47	of	of	ADP
eurjchem-2634	66	48	the	the	DET
eurjchem-2634	66	49	bond	bond	NOUN
eurjchem-2634	66	50	.	.	PUNCT
eurjchem-2634	67	1	in	in	ADP
eurjchem-2634	67	2	other	other	ADJ
eurjchem-2634	67	3	words	word	NOUN
eurjchem-2634	67	4	,	,	PUNCT
eurjchem-2634	67	5	it	it	PRON
eurjchem-2634	67	6	can	can	AUX
eurjchem-2634	67	7	be	be	AUX
eurjchem-2634	67	8	said	say	VERB
eurjchem-2634	67	9	that	that	SCONJ
eurjchem-2634	67	10	they	they	PRON
eurjchem-2634	67	11	are	be	AUX
eurjchem-2634	67	12	quite	quite	ADV
eurjchem-2634	67	13	compatible	compatible	ADJ
eurjchem-2634	67	14	with	with	ADP
eurjchem-2634	67	15	each	each	DET
eurjchem-2634	67	16	other	other	ADJ
eurjchem-2634	67	17	.	.	PUNCT
eurjchem-2634	68	1	72	72	NUM
eurjchem-2634	68	2	ceyhun	ceyhun	NOUN
eurjchem-2634	68	3	kucuk	kucuk	NOUN
eurjchem-2634	68	4	/	/	SYM
eurjchem-2634	68	5	european	european	PROPN
eurjchem-2634	68	6	journal	journal	PROPN
eurjchem-2634	68	7	of	of	ADP
eurjchem-2634	68	8	chemistry	chemistry	NOUN
eurjchem-2634	68	9	16	16	NUM
eurjchem-2634	68	10	(	(	PUNCT
eurjchem-2634	68	11	1	1	NUM
eurjchem-2634	68	12	)	)	PUNCT
eurjchem-2634	68	13	(	(	PUNCT
eurjchem-2634	68	14	2025	2025	NUM
eurjchem-2634	68	15	)	)	PUNCT
eurjchem-2634	68	16	70	70	NUM
eurjchem-2634	68	17	-	-	SYM
eurjchem-2634	68	18	82	82	NUM
eurjchem-2634	68	19	2025	2025	NUM
eurjchem-2634	68	20	–	–	PUNCT
eurjchem-2634	68	21	european	european	ADJ
eurjchem-2634	68	22	journal	journal	NOUN
eurjchem-2634	68	23	of	of	ADP
eurjchem-2634	68	24	chemistry	chemistry	NOUN
eurjchem-2634	68	25	–	–	PUNCT
eurjchem-2634	68	26	cc	cc	NOUN
eurjchem-2634	68	27	by	by	ADP
eurjchem-2634	68	28	nc	nc	PROPN
eurjchem-2634	68	29	–	–	PUNCT
eurjchem-2634	68	30	doi	doi	NOUN
eurjchem-2634	68	31	:	:	PUNCT
eurjchem-2634	68	32	10.5155	10.5155	NUM
eurjchem-2634	68	33	/	/	SYM
eurjchem-2634	68	34	eurjchem.16.1.70	eurjchem.16.1.70	NUM
eurjchem-2634	68	35	-	-	PUNCT
eurjchem-2634	68	36	82.2634	82.2634	NUM
eurjchem-2634	68	37	(	(	PUNCT
eurjchem-2634	68	38	a	a	NOUN
eurjchem-2634	68	39	)	)	PUNCT
eurjchem-2634	68	40	(	(	PUNCT
eurjchem-2634	68	41	b	b	X
eurjchem-2634	68	42	)	)	PUNCT
eurjchem-2634	68	43	figure	figure	NOUN
eurjchem-2634	68	44	1	1	NUM
eurjchem-2634	68	45	.	.	PUNCT
eurjchem-2634	69	1	conformer	conformer	NOUN
eurjchem-2634	69	2	i	i	PRON
eurjchem-2634	69	3	(	(	PUNCT
eurjchem-2634	69	4	e	e	NOUN
eurjchem-2634	69	5	=	=	SYM
eurjchem-2634	69	6	3.13	3.13	NUM
eurjchem-2634	69	7	ev	ev	NOUN
eurjchem-2634	69	8	)	)	PUNCT
eurjchem-2634	69	9	(	(	PUNCT
eurjchem-2634	69	10	a	a	NOUN
eurjchem-2634	69	11	)	)	PUNCT
eurjchem-2634	69	12	and	and	CCONJ
eurjchem-2634	69	13	conformer	conformer	PROPN
eurjchem-2634	69	14	ii	ii	PROPN
eurjchem-2634	69	15	(	(	PUNCT
eurjchem-2634	69	16	e	e	NOUN
eurjchem-2634	69	17	=	=	SYM
eurjchem-2634	69	18	3.52	3.52	NUM
eurjchem-2634	69	19	ev	ev	NOUN
eurjchem-2634	69	20	)	)	PUNCT
eurjchem-2634	69	21	(	(	PUNCT
eurjchem-2634	69	22	b	b	X
eurjchem-2634	69	23	)	)	PUNCT
eurjchem-2634	69	24	structures	structure	NOUN
eurjchem-2634	69	25	of	of	ADP
eurjchem-2634	69	26	the	the	DET
eurjchem-2634	69	27	5,7	5,7	NUM
eurjchem-2634	69	28	-	-	PUNCT
eurjchem-2634	69	29	dichloro-8	dichloro-8	VERB
eurjchem-2634	69	30	-	-	PUNCT
eurjchem-2634	69	31	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	69	32	-	-	PUNCT
eurjchem-2634	69	33	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	69	34	molecule	molecule	NOUN
eurjchem-2634	69	35	.	.	PUNCT
eurjchem-2634	70	1	figure	figure	NOUN
eurjchem-2634	70	2	2	2	NUM
eurjchem-2634	70	3	.	.	PUNCT
eurjchem-2634	70	4	optimized	optimize	VERB
eurjchem-2634	70	5	geometric	geometric	ADJ
eurjchem-2634	70	6	structure	structure	NOUN
eurjchem-2634	70	7	of	of	ADP
eurjchem-2634	70	8	the	the	DET
eurjchem-2634	70	9	5,7	5,7	NUM
eurjchem-2634	70	10	-	-	PUNCT
eurjchem-2634	70	11	dichloro-8	dichloro-8	VERB
eurjchem-2634	70	12	-	-	PUNCT
eurjchem-2634	70	13	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	70	14	-	-	PUNCT
eurjchem-2634	70	15	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	70	16	molecule	molecule	NOUN
eurjchem-2634	70	17	.	.	PUNCT
eurjchem-2634	71	1	3.2	3.2	NUM
eurjchem-2634	71	2	.	.	PUNCT
eurjchem-2634	71	3	frequency	frequency	NOUN
eurjchem-2634	71	4	analysis	analysis	NOUN
eurjchem-2634	71	5	frequency	frequency	NOUN
eurjchem-2634	71	6	analysis	analysis	NOUN
eurjchem-2634	71	7	was	be	AUX
eurjchem-2634	71	8	performed	perform	VERB
eurjchem-2634	71	9	for	for	ADP
eurjchem-2634	71	10	the	the	DET
eurjchem-2634	71	11	optimized	optimize	VERB
eurjchem-2634	71	12	structure	structure	NOUN
eurjchem-2634	71	13	of	of	ADP
eurjchem-2634	71	14	the	the	DET
eurjchem-2634	71	15	title	title	NOUN
eurjchem-2634	71	16	molecule	molecule	NOUN
eurjchem-2634	71	17	.	.	PUNCT
eurjchem-2634	72	1	the	the	DET
eurjchem-2634	72	2	calculated	calculate	VERB
eurjchem-2634	72	3	wavenumbers	wavenumber	NOUN
eurjchem-2634	72	4	in	in	ADP
eurjchem-2634	72	5	the	the	DET
eurjchem-2634	72	6	gas	gas	NOUN
eurjchem-2634	72	7	phase	phase	NOUN
eurjchem-2634	72	8	and	and	CCONJ
eurjchem-2634	72	9	their	their	PRON
eurjchem-2634	72	10	corresponding	corresponding	ADJ
eurjchem-2634	72	11	mode	mode	NOUN
eurjchem-2634	72	12	values	value	NOUN
eurjchem-2634	72	13	are	be	AUX
eurjchem-2634	72	14	listed	list	VERB
eurjchem-2634	72	15	in	in	ADP
eurjchem-2634	72	16	table	table	NOUN
eurjchem-2634	72	17	2	2	NUM
eurjchem-2634	72	18	.	.	PUNCT
eurjchem-2634	73	1	the	the	DET
eurjchem-2634	73	2	scale	scale	NOUN
eurjchem-2634	73	3	factor	factor	NOUN
eurjchem-2634	73	4	was	be	AUX
eurjchem-2634	73	5	not	not	PART
eurjchem-2634	73	6	used	use	VERB
eurjchem-2634	73	7	for	for	ADP
eurjchem-2634	73	8	the	the	DET
eurjchem-2634	73	9	calculated	calculate	VERB
eurjchem-2634	73	10	wavenumbers	wavenumber	NOUN
eurjchem-2634	73	11	in	in	ADP
eurjchem-2634	73	12	the	the	DET
eurjchem-2634	73	13	gas	gas	NOUN
eurjchem-2634	73	14	phase	phase	NOUN
eurjchem-2634	73	15	and	and	CCONJ
eurjchem-2634	73	16	solvents	solvent	NOUN
eurjchem-2634	73	17	.	.	PUNCT
eurjchem-2634	74	1	furthermore	furthermore	ADV
eurjchem-2634	74	2	,	,	PUNCT
eurjchem-2634	74	3	the	the	DET
eurjchem-2634	74	4	shift	shift	NOUN
eurjchem-2634	74	5	amounts	amount	VERB
eurjchem-2634	74	6	between	between	ADP
eurjchem-2634	74	7	the	the	DET
eurjchem-2634	74	8	frequency	frequency	NOUN
eurjchem-2634	74	9	values	value	NOUN
eurjchem-2634	74	10	calculated	calculate	VERB
eurjchem-2634	74	11	in	in	ADP
eurjchem-2634	74	12	the	the	DET
eurjchem-2634	74	13	solvents	solvent	NOUN
eurjchem-2634	74	14	and	and	CCONJ
eurjchem-2634	74	15	the	the	DET
eurjchem-2634	74	16	values	value	NOUN
eurjchem-2634	74	17	calculated	calculate	VERB
eurjchem-2634	74	18	in	in	ADP
eurjchem-2634	74	19	the	the	DET
eurjchem-2634	74	20	gas	gas	NOUN
eurjchem-2634	74	21	phase	phase	NOUN
eurjchem-2634	74	22	are	be	AUX
eurjchem-2634	74	23	also	also	ADV
eurjchem-2634	74	24	given	give	VERB
eurjchem-2634	74	25	in	in	ADP
eurjchem-2634	74	26	table	table	NOUN
eurjchem-2634	74	27	2	2	NUM
eurjchem-2634	74	28	.	.	PUNCT
eurjchem-2634	75	1	the	the	DET
eurjchem-2634	75	2	ir	ir	PROPN
eurjchem-2634	75	3	spectra	spectra	PROPN
eurjchem-2634	75	4	obtained	obtain	VERB
eurjchem-2634	75	5	from	from	ADP
eurjchem-2634	75	6	the	the	DET
eurjchem-2634	75	7	calculations	calculation	NOUN
eurjchem-2634	75	8	are	be	AUX
eurjchem-2634	75	9	presented	present	VERB
eurjchem-2634	75	10	in	in	ADP
eurjchem-2634	75	11	figure	figure	NOUN
eurjchem-2634	75	12	3	3	NUM
eurjchem-2634	75	13	.	.	PUNCT
eurjchem-2634	76	1	the	the	DET
eurjchem-2634	76	2	amount	amount	NOUN
eurjchem-2634	76	3	of	of	ADP
eurjchem-2634	76	4	shift	shift	NOUN
eurjchem-2634	76	5	in	in	ADP
eurjchem-2634	76	6	the	the	DET
eurjchem-2634	76	7	frequency	frequency	NOUN
eurjchem-2634	76	8	values	value	NOUN
eurjchem-2634	76	9	is	be	AUX
eurjchem-2634	76	10	obtained	obtain	VERB
eurjchem-2634	76	11	with	with	ADP
eurjchem-2634	76	12	the	the	DET
eurjchem-2634	76	13	formula	formula	NOUN
eurjchem-2634	76	14	below	below	ADV
eurjchem-2634	76	15	(	(	PUNCT
eurjchem-2634	76	16	equation	equation	NOUN
eurjchem-2634	76	17	1	1	NUM
eurjchem-2634	76	18	)	)	PUNCT
eurjchem-2634	76	19	.	.	PUNCT
eurjchem-2634	77	1	gas	gas	NOUN
eurjchem-2634	77	2	solvent∆ν	solvent∆ν	NOUN
eurjchem-2634	77	3	=	=	SYM
eurjchem-2634	77	4	∆ν	∆ν	PROPN
eurjchem-2634	77	5	−∆ν	−∆ν	PRON
eurjchem-2634	77	6	(	(	PUNCT
eurjchem-2634	77	7	1	1	X
eurjchem-2634	77	8	)	)	PUNCT
eurjchem-2634	77	9	the	the	DET
eurjchem-2634	77	10	oh	oh	NOUN
eurjchem-2634	77	11	stretching	stretching	NOUN
eurjchem-2634	77	12	vibration	vibration	NOUN
eurjchem-2634	77	13	was	be	AUX
eurjchem-2634	77	14	calculated	calculate	VERB
eurjchem-2634	77	15	at	at	ADP
eurjchem-2634	77	16	3756	3756	NUM
eurjchem-2634	77	17	cm-1	cm-1	NOUN
eurjchem-2634	77	18	.	.	PUNCT
eurjchem-2634	78	1	according	accord	VERB
eurjchem-2634	78	2	to	to	ADP
eurjchem-2634	78	3	the	the	DET
eurjchem-2634	78	4	literature	literature	NOUN
eurjchem-2634	78	5	,	,	PUNCT
eurjchem-2634	78	6	these	these	DET
eurjchem-2634	78	7	vibration	vibration	NOUN
eurjchem-2634	78	8	modes	mode	NOUN
eurjchem-2634	78	9	are	be	AUX
eurjchem-2634	78	10	also	also	ADV
eurjchem-2634	78	11	assigned	assign	VERB
eurjchem-2634	78	12	to	to	ADP
eurjchem-2634	78	13	the	the	DET
eurjchem-2634	78	14	region	region	NOUN
eurjchem-2634	78	15	3400	3400	NUM
eurjchem-2634	78	16	-	-	SYM
eurjchem-2634	78	17	3800	3800	NUM
eurjchem-2634	78	18	cm-1	cm-1	X
eurjchem-2634	79	1	[	[	X
eurjchem-2634	79	2	23	23	NUM
eurjchem-2634	79	3	]	]	PUNCT
eurjchem-2634	79	4	.	.	PUNCT
eurjchem-2634	80	1	in	in	ADP
eurjchem-2634	80	2	the	the	DET
eurjchem-2634	80	3	calculations	calculation	NOUN
eurjchem-2634	80	4	performed	perform	VERB
eurjchem-2634	80	5	in	in	ADP
eurjchem-2634	80	6	the	the	DET
eurjchem-2634	80	7	iefpcm	iefpcm	NOUN
eurjchem-2634	80	8	model	model	NOUN
eurjchem-2634	80	9	,	,	PUNCT
eurjchem-2634	80	10	this	this	DET
eurjchem-2634	80	11	stretching	stretch	VERB
eurjchem-2634	80	12	vibration	vibration	NOUN
eurjchem-2634	80	13	peak	peak	NOUN
eurjchem-2634	80	14	shifted	shift	VERB
eurjchem-2634	80	15	to	to	ADP
eurjchem-2634	80	16	a	a	DET
eurjchem-2634	80	17	smaller	small	ADJ
eurjchem-2634	80	18	value	value	NOUN
eurjchem-2634	80	19	of	of	ADP
eurjchem-2634	80	20	15	15	NUM
eurjchem-2634	80	21	cm-1	cm-1	NOUN
eurjchem-2634	80	22	in	in	ADP
eurjchem-2634	80	23	the	the	DET
eurjchem-2634	80	24	ethanol	ethanol	NOUN
eurjchem-2634	80	25	solvent	solvent	NOUN
eurjchem-2634	80	26	and	and	CCONJ
eurjchem-2634	80	27	16	16	NUM
eurjchem-2634	80	28	cm-1	cm-1	VERB
eurjchem-2634	80	29	in	in	ADP
eurjchem-2634	80	30	the	the	DET
eurjchem-2634	80	31	water	water	NOUN
eurjchem-2634	80	32	solvent	solvent	NOUN
eurjchem-2634	80	33	.	.	PUNCT
eurjchem-2634	81	1	for	for	ADP
eurjchem-2634	81	2	the	the	DET
eurjchem-2634	81	3	5	5	NUM
eurjchem-2634	81	4	-	-	PUNCT
eurjchem-2634	81	5	chloro-8	chloro-8	NOUN
eurjchem-2634	81	6	-	-	PUNCT
eurjchem-2634	81	7	hydroxyquinoline	hydroxyquinoline	NOUN
eurjchem-2634	81	8	molecule	molecule	NOUN
eurjchem-2634	81	9	,	,	PUNCT
eurjchem-2634	81	10	which	which	PRON
eurjchem-2634	81	11	is	be	AUX
eurjchem-2634	81	12	structurally	structurally	ADV
eurjchem-2634	81	13	similar	similar	ADJ
eurjchem-2634	81	14	to	to	ADP
eurjchem-2634	81	15	the	the	DET
eurjchem-2634	81	16	title	title	NOUN
eurjchem-2634	81	17	molecule	molecule	NOUN
eurjchem-2634	81	18	,	,	PUNCT
eurjchem-2634	81	19	this	this	DET
eurjchem-2634	81	20	vibrational	vibrational	ADJ
eurjchem-2634	81	21	value	value	NOUN
eurjchem-2634	81	22	was	be	AUX
eurjchem-2634	81	23	observed	observe	VERB
eurjchem-2634	81	24	at	at	ADP
eurjchem-2634	81	25	3465	3465	NUM
eurjchem-2634	81	26	cm-1	cm-1	X
eurjchem-2634	82	1	[	[	X
eurjchem-2634	82	2	24	24	NUM
eurjchem-2634	82	3	]	]	PUNCT
eurjchem-2634	82	4	.	.	PUNCT
eurjchem-2634	83	1	the	the	DET
eurjchem-2634	83	2	c	c	NOUN
eurjchem-2634	83	3	-	-	PUNCT
eurjchem-2634	83	4	h	h	NOUN
eurjchem-2634	83	5	stretching	stretch	VERB
eurjchem-2634	83	6	vibrations	vibration	NOUN
eurjchem-2634	83	7	of	of	ADP
eurjchem-2634	83	8	hetero	hetero	NOUN
eurjchem-2634	83	9	-	-	PUNCT
eurjchem-2634	83	10	aromatic	aromatic	ADJ
eurjchem-2634	83	11	compounds	compound	NOUN
eurjchem-2634	83	12	are	be	AUX
eurjchem-2634	83	13	detected	detect	VERB
eurjchem-2634	83	14	between	between	ADP
eurjchem-2634	83	15	3100	3100	NUM
eurjchem-2634	83	16	and	and	CCONJ
eurjchem-2634	83	17	3000	3000	NUM
eurjchem-2634	83	18	cm−1	cm−1	NOUN
eurjchem-2634	83	19	[	[	X
eurjchem-2634	83	20	25,26	25,26	NUM
eurjchem-2634	83	21	]	]	X
eurjchem-2634	83	22	.	.	PUNCT
eurjchem-2634	84	1	a	a	DET
eurjchem-2634	84	2	total	total	NOUN
eurjchem-2634	84	3	of	of	ADP
eurjchem-2634	84	4	four	four	NUM
eurjchem-2634	84	5	c	c	NOUN
eurjchem-2634	84	6	-	-	PUNCT
eurjchem-2634	84	7	h	h	NOUN
eurjchem-2634	84	8	stretching	stretch	VERB
eurjchem-2634	84	9	vibrations	vibration	NOUN
eurjchem-2634	84	10	were	be	AUX
eurjchem-2634	84	11	calculated	calculate	VERB
eurjchem-2634	84	12	for	for	ADP
eurjchem-2634	84	13	the	the	DET
eurjchem-2634	84	14	title	title	NOUN
eurjchem-2634	84	15	molecule	molecule	NOUN
eurjchem-2634	84	16	.	.	PUNCT
eurjchem-2634	85	1	according	accord	VERB
eurjchem-2634	85	2	to	to	ADP
eurjchem-2634	85	3	the	the	DET
eurjchem-2634	85	4	calculations	calculation	NOUN
eurjchem-2634	85	5	in	in	ADP
eurjchem-2634	85	6	the	the	DET
eurjchem-2634	85	7	gas	gas	NOUN
eurjchem-2634	85	8	phase	phase	NOUN
eurjchem-2634	85	9	,	,	PUNCT
eurjchem-2634	85	10	two	two	NUM
eurjchem-2634	85	11	symmetric	symmetric	ADJ
eurjchem-2634	85	12	stretching	stretching	NOUN
eurjchem-2634	85	13	vibrations	vibration	NOUN
eurjchem-2634	85	14	at	at	ADP
eurjchem-2634	85	15	3214	3214	NUM
eurjchem-2634	85	16	and	and	CCONJ
eurjchem-2634	85	17	3212	3212	NUM
eurjchem-2634	85	18	cm-1	cm-1	PROPN
eurjchem-2634	85	19	,	,	PUNCT
eurjchem-2634	85	20	one	one	NUM
eurjchem-2634	85	21	asymmetric	asymmetric	ADJ
eurjchem-2634	85	22	stretching	stretch	VERB
eurjchem-2634	85	23	vibration	vibration	NOUN
eurjchem-2634	85	24	at	at	ADP
eurjchem-2634	85	25	3199	3199	NUM
eurjchem-2634	85	26	cm-1	cm-1	NOUN
eurjchem-2634	85	27	,	,	PUNCT
eurjchem-2634	85	28	and	and	CCONJ
eurjchem-2634	85	29	one	one	NUM
eurjchem-2634	85	30	c	c	NOUN
eurjchem-2634	85	31	-	-	PUNCT
eurjchem-2634	85	32	h	h	NOUN
eurjchem-2634	85	33	stretching	stretch	VERB
eurjchem-2634	85	34	vibration	vibration	NOUN
eurjchem-2634	85	35	belonging	belong	VERB
eurjchem-2634	85	36	to	to	ADP
eurjchem-2634	85	37	the	the	DET
eurjchem-2634	85	38	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	85	39	group	group	NOUN
eurjchem-2634	85	40	at	at	ADP
eurjchem-2634	85	41	2953	2953	NUM
eurjchem-2634	85	42	cm-1	cm-1	VERB
eurjchem-2634	85	43	were	be	AUX
eurjchem-2634	85	44	obtained	obtain	VERB
eurjchem-2634	85	45	.	.	PUNCT
eurjchem-2634	86	1	in	in	ADP
eurjchem-2634	86	2	all	all	DET
eurjchem-2634	86	3	solvents	solvent	NOUN
eurjchem-2634	86	4	,	,	PUNCT
eurjchem-2634	86	5	a	a	DET
eurjchem-2634	86	6	shift	shift	NOUN
eurjchem-2634	86	7	of	of	ADP
eurjchem-2634	86	8	-3	-3	PUNCT
eurjchem-2634	86	9	,	,	PUNCT
eurjchem-2634	86	10	-5	-5	INTJ
eurjchem-2634	86	11	,	,	PUNCT
eurjchem-2634	86	12	-6	-6	ADV
eurjchem-2634	86	13	,	,	PUNCT
eurjchem-2634	86	14	and	and	CCONJ
eurjchem-2634	86	15	-12	-12	PROPN
eurjchem-2634	86	16	cm-1	cm-1	VERB
eurjchem-2634	86	17	occurred	occur	VERB
eurjchem-2634	86	18	in	in	ADP
eurjchem-2634	86	19	these	these	DET
eurjchem-2634	86	20	four	four	NUM
eurjchem-2634	86	21	frequency	frequency	NOUN
eurjchem-2634	86	22	values	value	NOUN
eurjchem-2634	86	23	,	,	PUNCT
eurjchem-2634	86	24	respectively	respectively	ADV
eurjchem-2634	86	25	.	.	PUNCT
eurjchem-2634	87	1	they	they	PRON
eurjchem-2634	87	2	were	be	AUX
eurjchem-2634	87	3	calculated	calculate	VERB
eurjchem-2634	87	4	at	at	ADP
eurjchem-2634	87	5	3217	3217	NUM
eurjchem-2634	87	6	,	,	PUNCT
eurjchem-2634	87	7	3217	3217	NUM
eurjchem-2634	87	8	,	,	PUNCT
eurjchem-2634	87	9	3205	3205	NUM
eurjchem-2634	87	10	,	,	PUNCT
eurjchem-2634	87	11	and	and	CCONJ
eurjchem-2634	87	12	2965	2965	NUM
eurjchem-2634	87	13	cm-1	cm-1	NOUN
eurjchem-2634	87	14	.	.	PUNCT
eurjchem-2634	88	1	c	c	X
eurjchem-2634	88	2	-	-	PUNCT
eurjchem-2634	88	3	h	h	NOUN
eurjchem-2634	88	4	stretching	stretch	VERB
eurjchem-2634	88	5	vibrations	vibration	NOUN
eurjchem-2634	88	6	were	be	AUX
eurjchem-2634	88	7	reported	report	VERB
eurjchem-2634	88	8	for	for	ADP
eurjchem-2634	88	9	the	the	DET
eurjchem-2634	88	10	5	5	NUM
eurjchem-2634	88	11	-	-	PUNCT
eurjchem-2634	88	12	chloro-8hydroxyquinoline	chloro-8hydroxyquinoline	NOUN
eurjchem-2634	88	13	molecule	molecule	NOUN
eurjchem-2634	88	14	at	at	ADP
eurjchem-2634	88	15	3093	3093	NUM
eurjchem-2634	88	16	,	,	PUNCT
eurjchem-2634	88	17	3065	3065	NUM
eurjchem-2634	88	18	,	,	PUNCT
eurjchem-2634	88	19	and	and	CCONJ
eurjchem-2634	88	20	3030	3030	NUM
eurjchem-2634	88	21	cm-1	cm-1	X
eurjchem-2634	89	1	[	[	X
eurjchem-2634	89	2	24	24	NUM
eurjchem-2634	89	3	]	]	PUNCT
eurjchem-2634	89	4	.	.	PUNCT
eurjchem-2634	90	1	the	the	DET
eurjchem-2634	90	2	c	c	PROPN
eurjchem-2634	90	3	=	=	NOUN
eurjchem-2634	90	4	o	o	NOUN
eurjchem-2634	90	5	stretching	stretch	VERB
eurjchem-2634	90	6	vibration	vibration	NOUN
eurjchem-2634	90	7	occurs	occur	VERB
eurjchem-2634	90	8	at	at	ADP
eurjchem-2634	90	9	a	a	DET
eurjchem-2634	90	10	frequency	frequency	NOUN
eurjchem-2634	90	11	of	of	ADP
eurjchem-2634	90	12	19001725	19001725	NUM
eurjchem-2634	90	13	cm-1	cm-1	PART
eurjchem-2634	91	1	[	[	X
eurjchem-2634	91	2	27	27	NUM
eurjchem-2634	91	3	]	]	PUNCT
eurjchem-2634	91	4	.	.	PUNCT
eurjchem-2634	92	1	in	in	ADP
eurjchem-2634	92	2	the	the	DET
eurjchem-2634	92	3	gas	gas	NOUN
eurjchem-2634	92	4	phase	phase	NOUN
eurjchem-2634	92	5	calculations	calculation	NOUN
eurjchem-2634	92	6	,	,	PUNCT
eurjchem-2634	92	7	the	the	DET
eurjchem-2634	92	8	c	c	NOUN
eurjchem-2634	92	9	=	=	NOUN
eurjchem-2634	92	10	o	o	NOUN
eurjchem-2634	92	11	stretching	stretch	VERB
eurjchem-2634	92	12	vibration	vibration	NOUN
eurjchem-2634	92	13	assigned	assign	VERB
eurjchem-2634	92	14	at	at	ADP
eurjchem-2634	92	15	1776	1776	NUM
eurjchem-2634	92	16	cm-1	cm-1	NOUN
eurjchem-2634	92	17	shifted	shift	VERB
eurjchem-2634	92	18	to	to	ADP
eurjchem-2634	92	19	a	a	DET
eurjchem-2634	92	20	smaller	small	ADJ
eurjchem-2634	92	21	value	value	NOUN
eurjchem-2634	92	22	of	of	ADP
eurjchem-2634	92	23	29	29	NUM
eurjchem-2634	92	24	cm-1	cm-1	X
eurjchem-2634	92	25	(	(	PUNCT
eurjchem-2634	92	26	1747	1747	NUM
eurjchem-2634	92	27	cm-1	cm-1	NOUN
eurjchem-2634	92	28	)	)	PUNCT
eurjchem-2634	92	29	in	in	ADP
eurjchem-2634	92	30	the	the	DET
eurjchem-2634	92	31	ethanol	ethanol	NOUN
eurjchem-2634	92	32	solvent	solvent	NOUN
eurjchem-2634	92	33	and	and	CCONJ
eurjchem-2634	92	34	30	30	NUM
eurjchem-2634	92	35	cm-1	cm-1	NOUN
eurjchem-2634	92	36	(	(	PUNCT
eurjchem-2634	92	37	1746	1746	NUM
eurjchem-2634	92	38	cm-1	cm-1	NOUN
eurjchem-2634	92	39	)	)	PUNCT
eurjchem-2634	92	40	in	in	ADP
eurjchem-2634	92	41	the	the	DET
eurjchem-2634	92	42	dmso	dmso	NOUN
eurjchem-2634	92	43	and	and	CCONJ
eurjchem-2634	92	44	water	water	NOUN
eurjchem-2634	92	45	solvents	solvent	NOUN
eurjchem-2634	92	46	.	.	PUNCT
eurjchem-2634	93	1	the	the	DET
eurjchem-2634	93	2	c	c	NOUN
eurjchem-2634	93	3	-	-	PUNCT
eurjchem-2634	93	4	o	o	NOUN
eurjchem-2634	93	5	stretching	stretch	VERB
eurjchem-2634	93	6	vibrations	vibration	NOUN
eurjchem-2634	93	7	were	be	AUX
eurjchem-2634	93	8	calculated	calculate	VERB
eurjchem-2634	93	9	at	at	ADP
eurjchem-2634	93	10	1417	1417	NUM
eurjchem-2634	93	11	and	and	CCONJ
eurjchem-2634	93	12	1236	1236	NUM
eurjchem-2634	93	13	cm-1	cm-1	VERB
eurjchem-2634	93	14	in	in	ADP
eurjchem-2634	93	15	the	the	DET
eurjchem-2634	93	16	gas	gas	NOUN
eurjchem-2634	93	17	phase	phase	NOUN
eurjchem-2634	93	18	.	.	PUNCT
eurjchem-2634	94	1	the	the	DET
eurjchem-2634	94	2	calculated	calculate	VERB
eurjchem-2634	94	3	value	value	NOUN
eurjchem-2634	94	4	at	at	ADP
eurjchem-2634	94	5	1417	1417	NUM
eurjchem-2634	94	6	cm-1	cm-1	NOUN
eurjchem-2634	94	7	shifted	shift	VERB
eurjchem-2634	94	8	to	to	ADP
eurjchem-2634	94	9	1415	1415	NUM
eurjchem-2634	94	10	cm-1	cm-1	VERB
eurjchem-2634	94	11	in	in	ADP
eurjchem-2634	94	12	all	all	DET
eurjchem-2634	94	13	solvent	solvent	NOUN
eurjchem-2634	94	14	calculations	calculation	NOUN
eurjchem-2634	94	15	,	,	PUNCT
eurjchem-2634	94	16	while	while	SCONJ
eurjchem-2634	94	17	the	the	DET
eurjchem-2634	94	18	calculated	calculate	VERB
eurjchem-2634	94	19	value	value	NOUN
eurjchem-2634	94	20	at	at	ADP
eurjchem-2634	94	21	1236	1236	NUM
eurjchem-2634	94	22	cm-1	cm-1	NOUN
eurjchem-2634	94	23	shifted	shift	VERB
eurjchem-2634	94	24	to	to	ADP
eurjchem-2634	94	25	1232	1232	NUM
eurjchem-2634	94	26	cm-1	cm-1	NOUN
eurjchem-2634	94	27	.	.	PUNCT
eurjchem-2634	95	1	the	the	DET
eurjchem-2634	95	2	c	c	NOUN
eurjchem-2634	95	3	-	-	PUNCT
eurjchem-2634	95	4	o	o	NOUN
eurjchem-2634	95	5	stretching	stretch	VERB
eurjchem-2634	95	6	vibration	vibration	NOUN
eurjchem-2634	95	7	of	of	ADP
eurjchem-2634	95	8	the	the	DET
eurjchem-2634	95	9	5	5	NUM
eurjchem-2634	95	10	-	-	PUNCT
eurjchem-2634	95	11	chloro-8hydroxyquinoline	chloro-8hydroxyquinoline	NOUN
eurjchem-2634	95	12	molecule	molecule	NOUN
eurjchem-2634	95	13	was	be	AUX
eurjchem-2634	95	14	observed	observe	VERB
eurjchem-2634	95	15	at	at	ADP
eurjchem-2634	95	16	1225	1225	NUM
eurjchem-2634	95	17	cm-1	cm-1	VERB
eurjchem-2634	95	18	in	in	ADP
eurjchem-2634	95	19	the	the	DET
eurjchem-2634	95	20	experimental	experimental	PROPN
eurjchem-2634	95	21	ir	ir	PROPN
eurjchem-2634	95	22	spectrum	spectrum	NOUN
eurjchem-2634	95	23	[	[	X
eurjchem-2634	95	24	24	24	NUM
eurjchem-2634	95	25	]	]	PUNCT
eurjchem-2634	95	26	.	.	PUNCT
eurjchem-2634	96	1	the	the	DET
eurjchem-2634	96	2	ring	ring	NOUN
eurjchem-2634	96	3	c	c	X
eurjchem-2634	96	4	-	-	PUNCT
eurjchem-2634	96	5	c	c	NOUN
eurjchem-2634	96	6	stretching	stretch	VERB
eurjchem-2634	96	7	vibrations	vibration	NOUN
eurjchem-2634	96	8	are	be	AUX
eurjchem-2634	96	9	mostly	mostly	ADV
eurjchem-2634	96	10	seen	see	VERB
eurjchem-2634	96	11	between	between	ADP
eurjchem-2634	96	12	1650	1650	NUM
eurjchem-2634	96	13	and	and	CCONJ
eurjchem-2634	96	14	1200	1200	NUM
eurjchem-2634	96	15	cm−1	cm−1	NOUN
eurjchem-2634	97	1	[	[	X
eurjchem-2634	97	2	28	28	NUM
eurjchem-2634	97	3	]	]	PUNCT
eurjchem-2634	97	4	.	.	PUNCT
eurjchem-2634	98	1	the	the	DET
eurjchem-2634	98	2	c	c	NOUN
eurjchem-2634	98	3	-	-	PUNCT
eurjchem-2634	98	4	c	c	NOUN
eurjchem-2634	98	5	stretching	stretch	VERB
eurjchem-2634	98	6	vibrations	vibration	NOUN
eurjchem-2634	98	7	were	be	AUX
eurjchem-2634	98	8	calculated	calculate	VERB
eurjchem-2634	98	9	for	for	ADP
eurjchem-2634	98	10	the	the	DET
eurjchem-2634	98	11	gas	gas	NOUN
eurjchem-2634	98	12	phase	phase	NOUN
eurjchem-2634	98	13	at	at	ADP
eurjchem-2634	98	14	1622	1622	NUM
eurjchem-2634	98	15	,	,	PUNCT
eurjchem-2634	98	16	1591	1591	NUM
eurjchem-2634	98	17	,	,	PUNCT
eurjchem-2634	98	18	1528	1528	NUM
eurjchem-2634	98	19	,	,	PUNCT
eurjchem-2634	98	20	1417	1417	NUM
eurjchem-2634	98	21	,	,	PUNCT
eurjchem-2634	98	22	1395	1395	NUM
eurjchem-2634	98	23	,	,	PUNCT
eurjchem-2634	98	24	1376	1376	NUM
eurjchem-2634	98	25	,	,	PUNCT
eurjchem-2634	98	26	1355	1355	NUM
eurjchem-2634	98	27	,	,	PUNCT
eurjchem-2634	98	28	1271	1271	NUM
eurjchem-2634	98	29	,	,	PUNCT
eurjchem-2634	98	30	and	and	CCONJ
eurjchem-2634	98	31	1211	1211	NUM
eurjchem-2634	98	32	cm-1	cm-1	NOUN
eurjchem-2634	98	33	.	.	PUNCT
eurjchem-2634	99	1	examining	examine	VERB
eurjchem-2634	99	2	table	table	NOUN
eurjchem-2634	99	3	2	2	NUM
eurjchem-2634	99	4	for	for	ADP
eurjchem-2634	99	5	these	these	DET
eurjchem-2634	99	6	stretching	stretch	VERB
eurjchem-2634	99	7	vibrations	vibration	NOUN
eurjchem-2634	99	8	revealed	reveal	VERB
eurjchem-2634	99	9	that	that	SCONJ
eurjchem-2634	99	10	there	there	PRON
eurjchem-2634	99	11	were	be	VERB
eurjchem-2634	99	12	no	no	DET
eurjchem-2634	99	13	shifts	shift	NOUN
eurjchem-2634	99	14	at	at	ADP
eurjchem-2634	99	15	certain	certain	ADJ
eurjchem-2634	99	16	frequency	frequency	NOUN
eurjchem-2634	99	17	values	value	NOUN
eurjchem-2634	99	18	for	for	ADP
eurjchem-2634	99	19	the	the	DET
eurjchem-2634	99	20	solvent	solvent	ADJ
eurjchem-2634	99	21	calculations	calculation	NOUN
eurjchem-2634	99	22	and	and	CCONJ
eurjchem-2634	99	23	showed	show	VERB
eurjchem-2634	99	24	that	that	SCONJ
eurjchem-2634	99	25	the	the	DET
eurjchem-2634	99	26	largest	large	ADJ
eurjchem-2634	99	27	shift	shift	NOUN
eurjchem-2634	99	28	value	value	NOUN
eurjchem-2634	99	29	was	be	AUX
eurjchem-2634	99	30	4	4	NUM
eurjchem-2634	99	31	cm-1	cm-1	NOUN
eurjchem-2634	99	32	.	.	PUNCT
eurjchem-2634	100	1	the	the	DET
eurjchem-2634	100	2	c	c	NOUN
eurjchem-2634	100	3	-	-	PUNCT
eurjchem-2634	100	4	c	c	NOUN
eurjchem-2634	100	5	stretching	stretch	VERB
eurjchem-2634	100	6	vibrations	vibration	NOUN
eurjchem-2634	100	7	of	of	ADP
eurjchem-2634	100	8	the	the	DET
eurjchem-2634	100	9	5	5	NUM
eurjchem-2634	100	10	-	-	PUNCT
eurjchem-2634	100	11	chloro-8	chloro-8	NOUN
eurjchem-2634	100	12	-	-	PUNCT
eurjchem-2634	100	13	hydroxyquinoline	hydroxyquinoline	NOUN
eurjchem-2634	100	14	molecule	molecule	NOUN
eurjchem-2634	100	15	were	be	AUX
eurjchem-2634	100	16	observed	observe	VERB
eurjchem-2634	100	17	in	in	ADP
eurjchem-2634	100	18	the	the	DET
eurjchem-2634	100	19	ir	ir	PROPN
eurjchem-2634	100	20	spectrum	spectrum	NOUN
eurjchem-2634	100	21	at	at	ADP
eurjchem-2634	100	22	1599	1599	NUM
eurjchem-2634	100	23	,	,	PUNCT
eurjchem-2634	100	24	1565	1565	NUM
eurjchem-2634	100	25	,	,	PUNCT
eurjchem-2634	100	26	1467	1467	NUM
eurjchem-2634	100	27	,	,	PUNCT
eurjchem-2634	100	28	and	and	CCONJ
eurjchem-2634	100	29	1392	1392	NUM
eurjchem-2634	100	30	cm-1	cm-1	X
eurjchem-2634	101	1	[	[	X
eurjchem-2634	101	2	24	24	NUM
eurjchem-2634	101	3	]	]	PUNCT
eurjchem-2634	101	4	.	.	PUNCT
eurjchem-2634	102	1	the	the	DET
eurjchem-2634	102	2	c	c	NOUN
eurjchem-2634	102	3	-	-	PUNCT
eurjchem-2634	102	4	n	n	ADV
eurjchem-2634	102	5	stretching	stretch	VERB
eurjchem-2634	102	6	vibration	vibration	NOUN
eurjchem-2634	102	7	modes	mode	NOUN
eurjchem-2634	102	8	are	be	AUX
eurjchem-2634	102	9	observed	observe	VERB
eurjchem-2634	102	10	in	in	ADP
eurjchem-2634	102	11	the	the	DET
eurjchem-2634	102	12	range	range	NOUN
eurjchem-2634	102	13	of	of	ADP
eurjchem-2634	102	14	1342	1342	NUM
eurjchem-2634	102	15	-	-	SYM
eurjchem-2634	102	16	1266	1266	NUM
eurjchem-2634	102	17	cm-1	cm-1	VERB
eurjchem-2634	102	18	in	in	ADP
eurjchem-2634	102	19	the	the	DET
eurjchem-2634	102	20	ir	ir	PROPN
eurjchem-2634	102	21	spectrum	spectrum	NOUN
eurjchem-2634	102	22	[	[	X
eurjchem-2634	102	23	29	29	NUM
eurjchem-2634	102	24	]	]	PUNCT
eurjchem-2634	102	25	.	.	PUNCT
eurjchem-2634	103	1	while	while	SCONJ
eurjchem-2634	103	2	the	the	DET
eurjchem-2634	103	3	c	c	NOUN
eurjchem-2634	103	4	-	-	PUNCT
eurjchem-2634	103	5	n	n	ADV
eurjchem-2634	103	6	stretching	stretch	VERB
eurjchem-2634	103	7	vibrations	vibration	NOUN
eurjchem-2634	103	8	were	be	AUX
eurjchem-2634	103	9	calculated	calculate	VERB
eurjchem-2634	103	10	at	at	ADP
eurjchem-2634	103	11	1633	1633	NUM
eurjchem-2634	103	12	and	and	CCONJ
eurjchem-2634	103	13	1489	1489	NUM
eurjchem-2634	103	14	cm-1	cm-1	VERB
eurjchem-2634	103	15	for	for	ADP
eurjchem-2634	103	16	the	the	DET
eurjchem-2634	103	17	gas	gas	NOUN
eurjchem-2634	103	18	phase	phase	NOUN
eurjchem-2634	103	19	,	,	PUNCT
eurjchem-2634	103	20	for	for	ADP
eurjchem-2634	103	21	three	three	NUM
eurjchem-2634	103	22	solvents	solvent	NOUN
eurjchem-2634	103	23	,	,	PUNCT
eurjchem-2634	103	24	these	these	DET
eurjchem-2634	103	25	two	two	NUM
eurjchem-2634	103	26	frequency	frequency	NOUN
eurjchem-2634	103	27	values	value	NOUN
eurjchem-2634	103	28	ceyhun	ceyhun	NOUN
eurjchem-2634	103	29	kucuk	kucuk	NOUN
eurjchem-2634	103	30	/	/	SYM
eurjchem-2634	103	31	european	european	PROPN
eurjchem-2634	103	32	journal	journal	PROPN
eurjchem-2634	103	33	of	of	ADP
eurjchem-2634	103	34	chemistry	chemistry	NOUN
eurjchem-2634	103	35	16	16	NUM
eurjchem-2634	103	36	(	(	PUNCT
eurjchem-2634	103	37	1	1	NUM
eurjchem-2634	103	38	)	)	PUNCT
eurjchem-2634	103	39	(	(	PUNCT
eurjchem-2634	103	40	2025	2025	NUM
eurjchem-2634	103	41	)	)	PUNCT
eurjchem-2634	103	42	70	70	NUM
eurjchem-2634	103	43	-	-	SYM
eurjchem-2634	103	44	82	82	NUM
eurjchem-2634	103	45	73	73	NUM
eurjchem-2634	103	46	2025	2025	NUM
eurjchem-2634	103	47	–	–	PUNCT
eurjchem-2634	103	48	european	european	ADJ
eurjchem-2634	103	49	journal	journal	NOUN
eurjchem-2634	103	50	of	of	ADP
eurjchem-2634	103	51	chemistry	chemistry	NOUN
eurjchem-2634	103	52	–	–	PUNCT
eurjchem-2634	103	53	cc	cc	NOUN
eurjchem-2634	103	54	by	by	ADP
eurjchem-2634	103	55	nc	nc	PROPN
eurjchem-2634	103	56	–	–	PUNCT
eurjchem-2634	103	57	doi	doi	NOUN
eurjchem-2634	103	58	:	:	PUNCT
eurjchem-2634	103	59	10.5155	10.5155	NUM
eurjchem-2634	103	60	/	/	SYM
eurjchem-2634	103	61	eurjchem.16.1.70	eurjchem.16.1.70	SYM
eurjchem-2634	103	62	-	-	PUNCT
eurjchem-2634	103	63	82.2634	82.2634	NUM
eurjchem-2634	103	64	table	table	NOUN
eurjchem-2634	103	65	2	2	NUM
eurjchem-2634	103	66	.	.	PUNCT
eurjchem-2634	103	67	calculated	calculate	VERB
eurjchem-2634	103	68	frequency	frequency	NOUN
eurjchem-2634	103	69	values	value	NOUN
eurjchem-2634	103	70	with	with	ADP
eurjchem-2634	103	71	the	the	DET
eurjchem-2634	103	72	total	total	ADJ
eurjchem-2634	103	73	energy	energy	NOUN
eurjchem-2634	103	74	densities	density	NOUN
eurjchem-2634	103	75	of	of	ADP
eurjchem-2634	103	76	the	the	DET
eurjchem-2634	103	77	5,7	5,7	NUM
eurjchem-2634	103	78	-	-	PUNCT
eurjchem-2634	103	79	dichloro-8	dichloro-8	VERB
eurjchem-2634	103	80	-	-	PUNCT
eurjchem-2634	103	81	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	103	82	-	-	PUNCT
eurjchem-2634	103	83	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	103	84	molecule	molecule	NOUN
eurjchem-2634	103	85	.	.	PUNCT
eurjchem-2634	104	1	mode	mode	PROPN
eurjchem-2634	104	2	frequency(ν	frequency(ν	PROPN
eurjchem-2634	104	3	)	)	PUNCT
eurjchem-2634	104	4	iir	iir	PROPN
eurjchem-2634	104	5	a	a	DET
eurjchem-2634	104	6	ted	ted	PROPN
eurjchem-2634	104	7	b	b	PROPN
eurjchem-2634	104	8	,	,	PUNCT
eurjchem-2634	104	9	c	c	NOUN
eurjchem-2634	104	10	gas	gas	NOUN
eurjchem-2634	104	11	ε	ε	NOUN
eurjchem-2634	104	12	=	=	SYM
eurjchem-2634	104	13	1	1	NUM
eurjchem-2634	104	14	∆ν	∆ν	NOUN
eurjchem-2634	104	15	ethanol	ethanol	NOUN
eurjchem-2634	104	16	ε	ε	NOUN
eurjchem-2634	104	17	=	=	SYM
eurjchem-2634	104	18	24.3	24.3	NUM
eurjchem-2634	104	19	∆ν	∆ν	PROPN
eurjchem-2634	104	20	dmso	dmso	NOUN
eurjchem-2634	104	21	ε	ε	PROPN
eurjchem-2634	104	22	=	=	SYM
eurjchem-2634	104	23	46.8	46.8	NUM
eurjchem-2634	104	24	∆ν	∆ν	NOUN
eurjchem-2634	104	25	water	water	NOUN
eurjchem-2634	104	26	ε	ε	NOUN
eurjchem-2634	104	27	=	=	PUNCT
eurjchem-2634	105	1	78.3	78.3	NUM
eurjchem-2634	105	2	1	1	NUM
eurjchem-2634	105	3	61	61	NUM
eurjchem-2634	105	4	-3	-3	PUNCT
eurjchem-2634	105	5	-3	-3	INTJ
eurjchem-2634	105	6	-3	-3	INTJ
eurjchem-2634	105	7	0.31	0.31	NUM
eurjchem-2634	105	8	41γcccc	41γcccc	NUM
eurjchem-2634	106	1	+	+	CCONJ
eurjchem-2634	106	2	36γclccc	36γclccc	NUM
eurjchem-2634	106	3	2	2	NUM
eurjchem-2634	106	4	85	85	NUM
eurjchem-2634	106	5	-1	-1	NOUN
eurjchem-2634	106	6	-1	-1	NOUN
eurjchem-2634	107	1	-1	-1	NOUN
eurjchem-2634	108	1	0.31	0.31	NUM
eurjchem-2634	108	2	69γccco	69γccco	NUM
eurjchem-2634	109	1	3	3	NUM
eurjchem-2634	109	2	122	122	NUM
eurjchem-2634	109	3	0	0	NUM
eurjchem-2634	109	4	0	0	NUM
eurjchem-2634	109	5	0	0	NUM
eurjchem-2634	109	6	0.82	0.82	NUM
eurjchem-2634	109	7	11γcccc	11γcccc	NUM
eurjchem-2634	110	1	+	+	CCONJ
eurjchem-2634	111	1	62γclccc	62γclccc	NUM
eurjchem-2634	111	2	4	4	NUM
eurjchem-2634	111	3	135	135	NUM
eurjchem-2634	111	4	0	0	NUM
eurjchem-2634	111	5	0	0	NUM
eurjchem-2634	111	6	0	0	NUM
eurjchem-2634	111	7	0.41	0.41	NUM
eurjchem-2634	112	1	60δccc	60δccc	NUM
eurjchem-2634	112	2	5	5	NUM
eurjchem-2634	112	3	144	144	NUM
eurjchem-2634	112	4	0	0	NUM
eurjchem-2634	112	5	0	0	NUM
eurjchem-2634	112	6	0	0	NUM
eurjchem-2634	112	7	0.47	0.47	NUM
eurjchem-2634	112	8	62γcccn	62γcccn	NUM
eurjchem-2634	112	9	6	6	NUM
eurjchem-2634	112	10	192	192	NUM
eurjchem-2634	112	11	1	1	NUM
eurjchem-2634	112	12	1	1	NUM
eurjchem-2634	112	13	1	1	NUM
eurjchem-2634	112	14	0.07	0.07	NUM
eurjchem-2634	112	15	85δclcc	85δclcc	NUM
eurjchem-2634	112	16	7	7	NUM
eurjchem-2634	112	17	240	240	NUM
eurjchem-2634	112	18	1	1	NUM
eurjchem-2634	112	19	1	1	NUM
eurjchem-2634	112	20	1	1	NUM
eurjchem-2634	112	21	4.14	4.14	NUM
eurjchem-2634	112	22	62γcccc	62γcccc	NUM
eurjchem-2634	112	23	8	8	NUM
eurjchem-2634	112	24	255	255	NUM
eurjchem-2634	112	25	2	2	NUM
eurjchem-2634	112	26	2	2	NUM
eurjchem-2634	112	27	2	2	NUM
eurjchem-2634	112	28	1.13	1.13	NUM
eurjchem-2634	112	29	61δocc	61δocc	NUM
eurjchem-2634	112	30	+	+	CCONJ
eurjchem-2634	112	31	12γclccc	12γclccc	NUM
eurjchem-2634	112	32	9	9	NUM
eurjchem-2634	112	33	279	279	NUM
eurjchem-2634	112	34	0	0	NUM
eurjchem-2634	112	35	0	0	NUM
eurjchem-2634	112	36	0	0	NUM
eurjchem-2634	112	37	0.20	0.20	NUM
eurjchem-2634	112	38	11δccc	11δccc	NUM
eurjchem-2634	113	1	+	+	CCONJ
eurjchem-2634	113	2	15γcccn	15γcccn	NUM
eurjchem-2634	114	1	+	+	CCONJ
eurjchem-2634	114	2	27γclccc	27γclccc	NUM
eurjchem-2634	114	3	10	10	NUM
eurjchem-2634	114	4	302	302	NUM
eurjchem-2634	115	1	-2	-2	INTJ
eurjchem-2634	116	1	-2	-2	INTJ
eurjchem-2634	116	2	-2	-2	INTJ
eurjchem-2634	117	1	3.81	3.81	NUM
eurjchem-2634	117	2	12δccc	12δccc	NUM
eurjchem-2634	118	1	+	+	CCONJ
eurjchem-2634	118	2	12δocc	12δocc	NUM
eurjchem-2634	118	3	11	11	NUM
eurjchem-2634	118	4	337	337	NUM
eurjchem-2634	118	5	0	0	NUM
eurjchem-2634	118	6	0	0	NUM
eurjchem-2634	118	7	0	0	NUM
eurjchem-2634	118	8	2.90	2.90	NUM
eurjchem-2634	118	9	31υclc	31υclc	NUM
eurjchem-2634	119	1	+	+	CCONJ
eurjchem-2634	119	2	18δccc	18δccc	NUM
eurjchem-2634	119	3	12	12	NUM
eurjchem-2634	119	4	368	368	NUM
eurjchem-2634	119	5	0	0	NUM
eurjchem-2634	119	6	0	0	NUM
eurjchem-2634	119	7	0	0	NUM
eurjchem-2634	119	8	0.32	0.32	NUM
eurjchem-2634	119	9	46υclc	46υclc	NUM
eurjchem-2634	120	1	+	+	CCONJ
eurjchem-2634	121	1	12δccc	12δccc	NUM
eurjchem-2634	121	2	13	13	NUM
eurjchem-2634	121	3	371	371	NUM
eurjchem-2634	121	4	-3	-3	PUNCT
eurjchem-2634	121	5	-3	-3	INTJ
eurjchem-2634	121	6	-3	-3	PUNCT
eurjchem-2634	121	7	0.09	0.09	NUM
eurjchem-2634	121	8	57γcncc	57γcncc	NUM
eurjchem-2634	121	9	14	14	NUM
eurjchem-2634	121	10	415	415	NUM
eurjchem-2634	121	11	-1	-1	ADP
eurjchem-2634	121	12	-1	-1	INTJ
eurjchem-2634	122	1	-1	-1	INTJ
eurjchem-2634	123	1	0.21	0.21	NUM
eurjchem-2634	123	2	41δccc	41δccc	NUM
eurjchem-2634	124	1	+	+	CCONJ
eurjchem-2634	124	2	10δccn	10δccn	NUM
eurjchem-2634	124	3	15	15	NUM
eurjchem-2634	124	4	433	433	NUM
eurjchem-2634	124	5	6	6	NUM
eurjchem-2634	124	6	6	6	NUM
eurjchem-2634	124	7	6	6	NUM
eurjchem-2634	124	8	11.42	11.42	NUM
eurjchem-2634	124	9	69γccch	69γccch	NUM
eurjchem-2634	124	10	16	16	NUM
eurjchem-2634	124	11	453	453	NUM
eurjchem-2634	124	12	7	7	NUM
eurjchem-2634	124	13	7	7	NUM
eurjchem-2634	124	14	7	7	NUM
eurjchem-2634	124	15	11.72	11.72	NUM
eurjchem-2634	124	16	79γcncc	79γcncc	NUM
eurjchem-2634	124	17	17	17	NUM
eurjchem-2634	124	18	545	545	NUM
eurjchem-2634	124	19	-4	-4	INTJ
eurjchem-2634	124	20	-4	-4	INTJ
eurjchem-2634	124	21	-4	-4	PROPN
eurjchem-2634	125	1	3.27	3.27	NUM
eurjchem-2634	125	2	54γcccc	54γcccc	NUM
eurjchem-2634	125	3	18	18	NUM
eurjchem-2634	125	4	575	575	NUM
eurjchem-2634	125	5	-1	-1	NOUN
eurjchem-2634	125	6	-1	-1	PUNCT
eurjchem-2634	125	7	-1	-1	ADP
eurjchem-2634	126	1	0.88	0.88	NUM
eurjchem-2634	126	2	12δcnc	12δcnc	NUM
eurjchem-2634	127	1	+	+	CCONJ
eurjchem-2634	127	2	11δccc	11δccc	NUM
eurjchem-2634	128	1	+	+	CCONJ
eurjchem-2634	128	2	111δcc0	111δcc0	NUM
eurjchem-2634	129	1	+	+	CCONJ
eurjchem-2634	129	2	22δclcc	22δclcc	NUM
eurjchem-2634	129	3	19	19	NUM
eurjchem-2634	129	4	609	609	NUM
eurjchem-2634	129	5	-2	-2	INTJ
eurjchem-2634	130	1	-2	-2	INTJ
eurjchem-2634	131	1	-2	-2	INTJ
eurjchem-2634	132	1	0.01	0.01	NUM
eurjchem-2634	132	2	69γcccc	69γcccc	NUM
eurjchem-2634	133	1	20	20	NUM
eurjchem-2634	133	2	619	619	NUM
eurjchem-2634	133	3	0	0	NUM
eurjchem-2634	133	4	0	0	NUM
eurjchem-2634	133	5	0	0	NUM
eurjchem-2634	133	6	2.52	2.52	NUM
eurjchem-2634	133	7	32δccc	32δccc	NUM
eurjchem-2634	133	8	21	21	NUM
eurjchem-2634	133	9	633	633	NUM
eurjchem-2634	133	10	0	0	NUM
eurjchem-2634	133	11	0	0	NUM
eurjchem-2634	133	12	0	0	NUM
eurjchem-2634	133	13	1.17	1.17	NUM
eurjchem-2634	133	14	44δclcc	44δclcc	NUM
eurjchem-2634	133	15	22	22	NUM
eurjchem-2634	133	16	686	686	NUM
eurjchem-2634	133	17	-9	-9	NOUN
eurjchem-2634	133	18	-9	-9	INTJ
eurjchem-2634	133	19	-9	-9	PROPN
eurjchem-2634	133	20	0.61	0.61	NUM
eurjchem-2634	133	21	69γcccn	69γcccn	NUM
eurjchem-2634	133	22	23	23	NUM
eurjchem-2634	133	23	720	720	NUM
eurjchem-2634	133	24	2	2	NUM
eurjchem-2634	133	25	2	2	NUM
eurjchem-2634	133	26	2	2	NUM
eurjchem-2634	133	27	6.15	6.15	NUM
eurjchem-2634	133	28	14υclc	14υclc	NUM
eurjchem-2634	134	1	+	+	CCONJ
eurjchem-2634	134	2	18δccn	18δccn	NUM
eurjchem-2634	134	3	24	24	NUM
eurjchem-2634	134	4	738	738	NUM
eurjchem-2634	134	5	4	4	NUM
eurjchem-2634	134	6	4	4	NUM
eurjchem-2634	134	7	4	4	NUM
eurjchem-2634	134	8	14.53	14.53	NUM
eurjchem-2634	134	9	36υcc	36υcc	NOUN
eurjchem-2634	134	10	+	+	CCONJ
eurjchem-2634	134	11	20δccc	20δccc	NUM
eurjchem-2634	134	12	25	25	NUM
eurjchem-2634	134	13	792	792	NUM
eurjchem-2634	134	14	3	3	NUM
eurjchem-2634	134	15	3	3	NUM
eurjchem-2634	134	16	3	3	NUM
eurjchem-2634	134	17	28.85	28.85	NUM
eurjchem-2634	134	18	23υcc	23υcc	NOUN
eurjchem-2634	135	1	+	+	CCONJ
eurjchem-2634	135	2	10υclc	10υclc	NUM
eurjchem-2634	136	1	+	+	CCONJ
eurjchem-2634	136	2	27δccn	27δccn	NUM
eurjchem-2634	136	3	26	26	NUM
eurjchem-2634	136	4	809	809	NUM
eurjchem-2634	136	5	-7	-7	NOUN
eurjchem-2634	136	6	-7	-7	NOUN
eurjchem-2634	137	1	-7	-7	NUM
eurjchem-2634	137	2	0.56	0.56	NUM
eurjchem-2634	137	3	62γcccc	62γcccc	NUM
eurjchem-2634	137	4	27	27	NUM
eurjchem-2634	137	5	856	856	NUM
eurjchem-2634	137	6	3	3	NUM
eurjchem-2634	137	7	4	4	NUM
eurjchem-2634	137	8	4	4	NUM
eurjchem-2634	137	9	5.59	5.59	NUM
eurjchem-2634	137	10	75γccch	75γccch	NUM
eurjchem-2634	137	11	28	28	NUM
eurjchem-2634	137	12	883	883	NUM
eurjchem-2634	137	13	-8	-8	NUM
eurjchem-2634	137	14	-8	-8	NUM
eurjchem-2634	137	15	-8	-8	NUM
eurjchem-2634	137	16	6.83	6.83	NUM
eurjchem-2634	137	17	79γccch	79γccch	NUM
eurjchem-2634	137	18	29	29	NUM
eurjchem-2634	137	19	949	949	NUM
eurjchem-2634	137	20	-1	-1	NOUN
eurjchem-2634	137	21	-1	-1	INTJ
eurjchem-2634	137	22	-1	-1	INTJ
eurjchem-2634	137	23	9.00	9.00	NUM
eurjchem-2634	137	24	16δccc	16δccc	NUM
eurjchem-2634	137	25	30	30	NUM
eurjchem-2634	137	26	960	960	NUM
eurjchem-2634	137	27	4	4	NUM
eurjchem-2634	137	28	4	4	NUM
eurjchem-2634	137	29	4	4	NUM
eurjchem-2634	137	30	17.11	17.11	NUM
eurjchem-2634	137	31	13υclc	13υclc	NUM
eurjchem-2634	138	1	+	+	CCONJ
eurjchem-2634	139	1	40δccc	40δccc	NUM
eurjchem-2634	139	2	31	31	NUM
eurjchem-2634	139	3	1016	1016	NUM
eurjchem-2634	139	4	-2	-2	INTJ
eurjchem-2634	140	1	-2	-2	INTJ
eurjchem-2634	141	1	-2	-2	INTJ
eurjchem-2634	141	2	0.19	0.19	NUM
eurjchem-2634	142	1	72γccch	72γccch	NUM
eurjchem-2634	142	2	32	32	NUM
eurjchem-2634	142	3	1026	1026	NUM
eurjchem-2634	143	1	-2	-2	INTJ
eurjchem-2634	144	1	-2	-2	INTJ
eurjchem-2634	145	1	-2	-2	INTJ
eurjchem-2634	146	1	0.29	0.29	NUM
eurjchem-2634	146	2	11γcccc	11γcccc	NUM
eurjchem-2634	147	1	+	+	PUNCT
eurjchem-2634	147	2	73γccch	73γccch	NUM
eurjchem-2634	147	3	33	33	NUM
eurjchem-2634	147	4	1096	1096	NUM
eurjchem-2634	147	5	4	4	NUM
eurjchem-2634	147	6	4	4	NUM
eurjchem-2634	147	7	4	4	NUM
eurjchem-2634	147	8	12.94	12.94	NUM
eurjchem-2634	147	9	14υcc	14υcc	NOUN
eurjchem-2634	148	1	+	+	CCONJ
eurjchem-2634	148	2	32δcnc	32δcnc	NUM
eurjchem-2634	148	3	34	34	NUM
eurjchem-2634	148	4	1158	1158	NUM
eurjchem-2634	148	5	3	3	NUM
eurjchem-2634	148	6	3	3	NUM
eurjchem-2634	148	7	3	3	NUM
eurjchem-2634	148	8	1.52	1.52	NUM
eurjchem-2634	148	9	55δcch	55δcch	NUM
eurjchem-2634	148	10	35	35	NUM
eurjchem-2634	148	11	1211	1211	NUM
eurjchem-2634	148	12	0	0	NUM
eurjchem-2634	148	13	0	0	NUM
eurjchem-2634	148	14	0	0	NUM
eurjchem-2634	148	15	1.24	1.24	NUM
eurjchem-2634	148	16	12υcc	12υcc	NOUN
eurjchem-2634	149	1	+	+	CCONJ
eurjchem-2634	149	2	14δhoc	14δhoc	PUNCT
eurjchem-2634	150	1	+	+	PUNCT
eurjchem-2634	150	2	32δcch	32δcch	NUM
eurjchem-2634	150	3	36	36	NUM
eurjchem-2634	150	4	1236	1236	NUM
eurjchem-2634	150	5	4	4	NUM
eurjchem-2634	150	6	4	4	NUM
eurjchem-2634	150	7	4	4	NUM
eurjchem-2634	150	8	14.95	14.95	NUM
eurjchem-2634	150	9	15υoc	15υoc	NOUN
eurjchem-2634	150	10	+	+	CCONJ
eurjchem-2634	150	11	17δcch	17δcch	NUM
eurjchem-2634	150	12	37	37	NUM
eurjchem-2634	150	13	1252	1252	NUM
eurjchem-2634	150	14	4	4	NUM
eurjchem-2634	150	15	4	4	NUM
eurjchem-2634	150	16	4	4	NUM
eurjchem-2634	150	17	2.86	2.86	NUM
eurjchem-2634	150	18	50υcc	50υcc	NOUN
eurjchem-2634	150	19	+	+	CCONJ
eurjchem-2634	150	20	15δcch	15δcch	NUM
eurjchem-2634	151	1	+	+	CCONJ
eurjchem-2634	151	2	12δhcn	12δhcn	NUM
eurjchem-2634	151	3	+	+	CCONJ
eurjchem-2634	151	4	11δcch	11δcch	NUM
eurjchem-2634	151	5	38	38	NUM
eurjchem-2634	151	6	1271	1271	NUM
eurjchem-2634	151	7	0	0	NUM
eurjchem-2634	151	8	0	0	NUM
eurjchem-2634	151	9	0	0	NUM
eurjchem-2634	151	10	34.21	34.21	NUM
eurjchem-2634	151	11	22υcc	22υcc	NOUN
eurjchem-2634	151	12	+	+	NUM
eurjchem-2634	151	13	10δcnc	10δcnc	NUM
eurjchem-2634	152	1	+	+	CCONJ
eurjchem-2634	152	2	14δhoc	14δhoc	NUM
eurjchem-2634	153	1	39	39	NUM
eurjchem-2634	153	2	1348	1348	NUM
eurjchem-2634	153	3	-2	-2	INTJ
eurjchem-2634	153	4	-1	-1	INTJ
eurjchem-2634	154	1	-1	-1	INTJ
eurjchem-2634	154	2	0.64	0.64	NUM
eurjchem-2634	154	3	11υcn	11υcn	NOUN
eurjchem-2634	154	4	+	+	CCONJ
eurjchem-2634	154	5	12δhoc	12δhoc	NUM
eurjchem-2634	155	1	+	+	CCONJ
eurjchem-2634	155	2	29δhco	29δhco	NUM
eurjchem-2634	155	3	40	40	NUM
eurjchem-2634	155	4	1355	1355	NUM
eurjchem-2634	155	5	4	4	NUM
eurjchem-2634	155	6	4	4	NUM
eurjchem-2634	155	7	4	4	NUM
eurjchem-2634	155	8	17.99	17.99	NUM
eurjchem-2634	155	9	57υcc	57υcc	NOUN
eurjchem-2634	155	10	41	41	NUM
eurjchem-2634	155	11	1376	1376	NUM
eurjchem-2634	155	12	0	0	NUM
eurjchem-2634	155	13	0	0	NUM
eurjchem-2634	155	14	0	0	NUM
eurjchem-2634	155	15	20.40	20.40	NUM
eurjchem-2634	155	16	22υcc	22υcc	NOUN
eurjchem-2634	155	17	+	+	CCONJ
eurjchem-2634	155	18	44δhco	44δhco	NUM
eurjchem-2634	155	19	42	42	NUM
eurjchem-2634	155	20	1395	1395	NUM
eurjchem-2634	155	21	0	0	NUM
eurjchem-2634	155	22	0	0	NUM
eurjchem-2634	155	23	0	0	NUM
eurjchem-2634	155	24	15.71	15.71	NUM
eurjchem-2634	155	25	11υcc	11υcc	NOUN
eurjchem-2634	156	1	+	+	CCONJ
eurjchem-2634	156	2	44δhoc	44δhoc	NUM
eurjchem-2634	157	1	43	43	NUM
eurjchem-2634	157	2	1417	1417	NUM
eurjchem-2634	157	3	2	2	NUM
eurjchem-2634	157	4	2	2	NUM
eurjchem-2634	157	5	2	2	NUM
eurjchem-2634	157	6	12.40	12.40	NUM
eurjchem-2634	157	7	12υcc	12υcc	NOUN
eurjchem-2634	157	8	+	+	CCONJ
eurjchem-2634	157	9	16υoc	16υoc	NOUN
eurjchem-2634	158	1	+	+	CCONJ
eurjchem-2634	158	2	33δhcc	33δhcc	NUM
eurjchem-2634	158	3	44	44	NUM
eurjchem-2634	158	4	1489	1489	NUM
eurjchem-2634	158	5	8	8	NUM
eurjchem-2634	158	6	8	8	NUM
eurjchem-2634	158	7	8	8	NUM
eurjchem-2634	158	8	34.49	34.49	NUM
eurjchem-2634	158	9	25υcn	25υcn	NOUN
eurjchem-2634	158	10	45	45	NUM
eurjchem-2634	158	11	1528	1528	NUM
eurjchem-2634	158	12	3	3	NUM
eurjchem-2634	158	13	3	3	NUM
eurjchem-2634	158	14	3	3	NUM
eurjchem-2634	158	15	2.69	2.69	NUM
eurjchem-2634	158	16	20υcc	20υcc	NOUN
eurjchem-2634	158	17	+	+	CCONJ
eurjchem-2634	158	18	12δhcc	12δhcc	NUM
eurjchem-2634	158	19	46	46	NUM
eurjchem-2634	158	20	1591	1591	NUM
eurjchem-2634	158	21	3	3	NUM
eurjchem-2634	158	22	3	3	NUM
eurjchem-2634	158	23	3	3	NUM
eurjchem-2634	158	24	2.90	2.90	NUM
eurjchem-2634	158	25	45υcc	45υcc	NOUN
eurjchem-2634	158	26	+	+	CCONJ
eurjchem-2634	158	27	12δcnc	12δcnc	NUM
eurjchem-2634	158	28	47	47	NUM
eurjchem-2634	158	29	1622	1622	NUM
eurjchem-2634	158	30	2	2	NUM
eurjchem-2634	158	31	2	2	NUM
eurjchem-2634	158	32	2	2	NUM
eurjchem-2634	158	33	22.06	22.06	NUM
eurjchem-2634	158	34	45υcc	45υcc	NOUN
eurjchem-2634	158	35	48	48	NUM
eurjchem-2634	158	36	1633	1633	NUM
eurjchem-2634	158	37	4	4	NUM
eurjchem-2634	158	38	4	4	NUM
eurjchem-2634	158	39	4	4	NUM
eurjchem-2634	158	40	2.18	2.18	NUM
eurjchem-2634	158	41	44υcn	44υcn	NOUN
eurjchem-2634	158	42	+	+	CCONJ
eurjchem-2634	158	43	10υcc	10υcc	NOUN
eurjchem-2634	158	44	49	49	NUM
eurjchem-2634	158	45	1776	1776	NUM
eurjchem-2634	158	46	29	29	NUM
eurjchem-2634	158	47	30	30	NUM
eurjchem-2634	158	48	30	30	NUM
eurjchem-2634	158	49	100.00	100.00	NUM
eurjchem-2634	158	50	92υoc	92υoc	NOUN
eurjchem-2634	158	51	(	(	PUNCT
eurjchem-2634	158	52	o	o	NOUN
eurjchem-2634	158	53	=	=	SYM
eurjchem-2634	158	54	c	c	NOUN
eurjchem-2634	158	55	)	)	PUNCT
eurjchem-2634	158	56	50	50	NUM
eurjchem-2634	158	57	2953	2953	NUM
eurjchem-2634	158	58	-12	-12	NOUN
eurjchem-2634	158	59	-12	-12	PRON
eurjchem-2634	158	60	-12	-12	PROPN
eurjchem-2634	158	61	18.85	18.85	NUM
eurjchem-2634	158	62	100υch	100υch	NUM
eurjchem-2634	158	63	(	(	PUNCT
eurjchem-2634	158	64	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	158	65	)	)	PUNCT
eurjchem-2634	158	66	51	51	NUM
eurjchem-2634	158	67	3199	3199	NUM
eurjchem-2634	159	1	-6	-6	INTJ
eurjchem-2634	160	1	-6	-6	INTJ
eurjchem-2634	161	1	-6	-6	INTJ
eurjchem-2634	161	2	0.28	0.28	NUM
eurjchem-2634	161	3	100υch	100υch	NUM
eurjchem-2634	161	4	(	(	PUNCT
eurjchem-2634	161	5	asym	asym	PROPN
eurjchem-2634	161	6	)	)	PUNCT
eurjchem-2634	161	7	52	52	NUM
eurjchem-2634	161	8	3212	3212	NUM
eurjchem-2634	161	9	-5	-5	NOUN
eurjchem-2634	161	10	-5	-5	INTJ
eurjchem-2634	161	11	-5	-5	INTJ
eurjchem-2634	161	12	0.25	0.25	NUM
eurjchem-2634	161	13	99υch	99υch	NOUN
eurjchem-2634	161	14	(	(	PUNCT
eurjchem-2634	161	15	sym	sym	NOUN
eurjchem-2634	161	16	)	)	PUNCT
eurjchem-2634	161	17	53	53	NUM
eurjchem-2634	161	18	3214	3214	NUM
eurjchem-2634	161	19	-3	-3	PUNCT
eurjchem-2634	161	20	-3	-3	PUNCT
eurjchem-2634	161	21	-3	-3	INTJ
eurjchem-2634	161	22	0.71	0.71	NUM
eurjchem-2634	161	23	100υch	100υch	NUM
eurjchem-2634	161	24	(	(	PUNCT
eurjchem-2634	161	25	sym	sym	NOUN
eurjchem-2634	161	26	)	)	PUNCT
eurjchem-2634	161	27	54	54	NUM
eurjchem-2634	161	28	3756	3756	NUM
eurjchem-2634	161	29	15	15	NUM
eurjchem-2634	161	30	16	16	NUM
eurjchem-2634	161	31	16	16	NUM
eurjchem-2634	162	1	35.91	35.91	NUM
eurjchem-2634	162	2	100υoh	100υoh	NUM
eurjchem-2634	162	3	a	a	DET
eurjchem-2634	162	4	relative	relative	ADJ
eurjchem-2634	162	5	absorption	absorption	NOUN
eurjchem-2634	162	6	intensities	intensity	NOUN
eurjchem-2634	162	7	normalized	normalize	VERB
eurjchem-2634	162	8	with	with	ADP
eurjchem-2634	162	9	highest	high	ADJ
eurjchem-2634	162	10	peak	peak	NOUN
eurjchem-2634	162	11	absorption	absorption	NOUN
eurjchem-2634	162	12	equal	equal	ADJ
eurjchem-2634	162	13	to	to	ADP
eurjchem-2634	162	14	100	100	NUM
eurjchem-2634	162	15	.	.	PUNCT
eurjchem-2634	163	1	b	b	X
eurjchem-2634	163	2	the	the	DET
eurjchem-2634	163	3	total	total	ADJ
eurjchem-2634	163	4	energy	energy	NOUN
eurjchem-2634	163	5	distribution	distribution	NOUN
eurjchem-2634	163	6	level	level	NOUN
eurjchem-2634	163	7	(	(	PUNCT
eurjchem-2634	163	8	ted	te	VERB
eurjchem-2634	163	9	)	)	PUNCT
eurjchem-2634	163	10	less	less	ADJ
eurjchem-2634	163	11	than	than	ADP
eurjchem-2634	163	12	10	10	NUM
eurjchem-2634	163	13	%	%	NOUN
eurjchem-2634	163	14	is	be	AUX
eurjchem-2634	163	15	not	not	PART
eurjchem-2634	163	16	shown	show	VERB
eurjchem-2634	163	17	.	.	PUNCT
eurjchem-2634	164	1	c	c	X
eurjchem-2634	164	2	υ	υ	NOUN
eurjchem-2634	164	3	:	:	PUNCT
eurjchem-2634	164	4	stretching	stretch	VERB
eurjchem-2634	164	5	,	,	PUNCT
eurjchem-2634	164	6	δ	δ	PROPN
eurjchem-2634	164	7	:	:	PUNCT
eurjchem-2634	164	8	in	in	ADP
eurjchem-2634	164	9	-	-	PUNCT
eurjchem-2634	164	10	plane	plane	NOUN
eurjchem-2634	164	11	bending	bending	NOUN
eurjchem-2634	164	12	,	,	PUNCT
eurjchem-2634	164	13	γ	γ	X
eurjchem-2634	164	14	:	:	PUNCT
eurjchem-2634	164	15	out	out	ADP
eurjchem-2634	164	16	-	-	PUNCT
eurjchem-2634	164	17	of	of	ADP
eurjchem-2634	164	18	bending	bend	VERB
eurjchem-2634	164	19	γ	γ	NOUN
eurjchem-2634	164	20	:	:	PUNCT
eurjchem-2634	164	21	torsion	torsion	NOUN
eurjchem-2634	164	22	,	,	PUNCT
eurjchem-2634	164	23	s	s	PART
eurjchem-2634	164	24	:	:	PUNCT
eurjchem-2634	164	25	strong	strong	ADJ
eurjchem-2634	164	26	,	,	PUNCT
eurjchem-2634	164	27	m	m	PRON
eurjchem-2634	164	28	:	:	PUNCT
eurjchem-2634	164	29	medium	medium	ADJ
eurjchem-2634	164	30	,	,	PUNCT
eurjchem-2634	164	31	w	w	ADJ
eurjchem-2634	164	32	:	:	PUNCT
eurjchem-2634	164	33	weak	weak	ADJ
eurjchem-2634	164	34	,	,	PUNCT
eurjchem-2634	164	35	v	v	NOUN
eurjchem-2634	164	36	:	:	PUNCT
eurjchem-2634	164	37	very	very	ADV
eurjchem-2634	164	38	.	.	PUNCT
eurjchem-2634	165	1	were	be	AUX
eurjchem-2634	165	2	calculated	calculate	VERB
eurjchem-2634	165	3	at	at	ADP
eurjchem-2634	165	4	1629	1629	NUM
eurjchem-2634	165	5	and	and	CCONJ
eurjchem-2634	165	6	1481	1481	NUM
eurjchem-2634	165	7	cm-1	cm-1	NOUN
eurjchem-2634	165	8	.	.	PUNCT
eurjchem-2634	166	1	a	a	DET
eurjchem-2634	166	2	shift	shift	NOUN
eurjchem-2634	166	3	of	of	ADP
eurjchem-2634	166	4	4	4	NUM
eurjchem-2634	166	5	and	and	CCONJ
eurjchem-2634	166	6	8	8	NUM
eurjchem-2634	166	7	cm-1	cm-1	NOUN
eurjchem-2634	166	8	occurred	occur	VERB
eurjchem-2634	166	9	in	in	ADP
eurjchem-2634	166	10	the	the	DET
eurjchem-2634	166	11	frequency	frequency	NOUN
eurjchem-2634	166	12	values	value	NOUN
eurjchem-2634	166	13	,	,	PUNCT
eurjchem-2634	166	14	respectively	respectively	ADV
eurjchem-2634	166	15	.	.	PUNCT
eurjchem-2634	167	1	in	in	ADP
eurjchem-2634	167	2	general	general	ADJ
eurjchem-2634	167	3	,	,	PUNCT
eurjchem-2634	167	4	the	the	DET
eurjchem-2634	167	5	computed	compute	VERB
eurjchem-2634	167	6	ir	ir	PROPN
eurjchem-2634	167	7	peaks	peak	NOUN
eurjchem-2634	167	8	become	become	VERB
eurjchem-2634	167	9	more	more	ADV
eurjchem-2634	167	10	pronounced	pronounced	ADJ
eurjchem-2634	167	11	as	as	SCONJ
eurjchem-2634	167	12	they	they	PRON
eurjchem-2634	167	13	transition	transition	VERB
eurjchem-2634	167	14	from	from	ADP
eurjchem-2634	167	15	the	the	DET
eurjchem-2634	167	16	gas	gas	NOUN
eurjchem-2634	167	17	phase	phase	NOUN
eurjchem-2634	167	18	to	to	ADP
eurjchem-2634	167	19	the	the	DET
eurjchem-2634	167	20	solution	solution	NOUN
eurjchem-2634	167	21	.	.	PUNCT
eurjchem-2634	168	1	this	this	PRON
eurjchem-2634	168	2	is	be	AUX
eurjchem-2634	168	3	due	due	ADJ
eurjchem-2634	168	4	to	to	ADP
eurjchem-2634	168	5	the	the	DET
eurjchem-2634	168	6	fact	fact	NOUN
eurjchem-2634	168	7	that	that	SCONJ
eurjchem-2634	168	8	the	the	DET
eurjchem-2634	168	9	solute	solute	NOUN
eurjchem-2634	168	10	's	's	PART
eurjchem-2634	168	11	dipole	dipole	NOUN
eurjchem-2634	168	12	moment	moment	NOUN
eurjchem-2634	168	13	is	be	AUX
eurjchem-2634	168	14	increased	increase	VERB
eurjchem-2634	168	15	by	by	ADP
eurjchem-2634	168	16	the	the	DET
eurjchem-2634	168	17	enhanced	enhanced	ADJ
eurjchem-2634	168	18	solvent	solvent	NOUN
eurjchem-2634	168	19	polarity	polarity	NOUN
eurjchem-2634	168	20	.	.	PUNCT
eurjchem-2634	169	1	as	as	SCONJ
eurjchem-2634	169	2	the	the	DET
eurjchem-2634	169	3	solvent	solvent	NOUN
eurjchem-2634	169	4	polarity	polarity	NOUN
eurjchem-2634	169	5	increases	increase	VERB
eurjchem-2634	169	6	,	,	PUNCT
eurjchem-2634	169	7	the	the	DET
eurjchem-2634	169	8	vibrational	vibrational	ADJ
eurjchem-2634	169	9	frequencies	frequency	NOUN
eurjchem-2634	169	10	of	of	ADP
eurjchem-2634	169	11	certain	certain	ADJ
eurjchem-2634	169	12	modes	mode	NOUN
eurjchem-2634	169	13	are	be	AUX
eurjchem-2634	169	14	shifted	shift	VERB
eurjchem-2634	169	15	,	,	PUNCT
eurjchem-2634	169	16	and	and	CCONJ
eurjchem-2634	169	17	the	the	DET
eurjchem-2634	169	18	corresponding	corresponding	ADJ
eurjchem-2634	169	19	ir	ir	PROPN
eurjchem-2634	169	20	intensities	intensity	NOUN
eurjchem-2634	169	21	also	also	ADV
eurjchem-2634	169	22	undergo	undergo	VERB
eurjchem-2634	169	23	a	a	DET
eurjchem-2634	169	24	change	change	NOUN
eurjchem-2634	169	25	[	[	X
eurjchem-2634	169	26	30	30	NUM
eurjchem-2634	169	27	]	]	PUNCT
eurjchem-2634	169	28	.	.	PUNCT
eurjchem-2634	170	1	the	the	DET
eurjchem-2634	170	2	significant	significant	ADJ
eurjchem-2634	170	3	change	change	NOUN
eurjchem-2634	170	4	in	in	ADP
eurjchem-2634	170	5	ir	ir	PROPN
eurjchem-2634	170	6	intensities	intensity	NOUN
eurjchem-2634	170	7	belongs	belong	VERB
eurjchem-2634	170	8	to	to	ADP
eurjchem-2634	170	9	the	the	DET
eurjchem-2634	170	10	c	c	PROPN
eurjchem-2634	170	11	=	=	NOUN
eurjchem-2634	170	12	o	o	NOUN
eurjchem-2634	170	13	stretching	stretch	VERB
eurjchem-2634	170	14	vibration	vibration	NOUN
eurjchem-2634	170	15	observed	observe	VERB
eurjchem-2634	170	16	in	in	ADP
eurjchem-2634	170	17	the	the	DET
eurjchem-2634	170	18	49th	49th	ADJ
eurjchem-2634	170	19	mode	mode	NOUN
eurjchem-2634	170	20	.	.	PUNCT
eurjchem-2634	171	1	in	in	ADP
eurjchem-2634	171	2	addition	addition	NOUN
eurjchem-2634	171	3	,	,	PUNCT
eurjchem-2634	171	4	the	the	DET
eurjchem-2634	171	5	largest	large	ADJ
eurjchem-2634	171	6	shifts	shift	NOUN
eurjchem-2634	171	7	in	in	ADP
eurjchem-2634	171	8	wavenumbers	wavenumber	NOUN
eurjchem-2634	171	9	belong	belong	VERB
eurjchem-2634	171	10	to	to	ADP
eurjchem-2634	171	11	the	the	DET
eurjchem-2634	171	12	49th	49th	ADJ
eurjchem-2634	171	13	,	,	PUNCT
eurjchem-2634	171	14	54th	54th	ADJ
eurjchem-2634	171	15	,	,	PUNCT
eurjchem-2634	171	16	and	and	CCONJ
eurjchem-2634	171	17	50th	50th	ADJ
eurjchem-2634	171	18	modes	mode	NOUN
eurjchem-2634	171	19	,	,	PUNCT
eurjchem-2634	171	20	respectively	respectively	ADV
eurjchem-2634	171	21	.	.	PUNCT
eurjchem-2634	172	1	3.3	3.3	NUM
eurjchem-2634	172	2	.	.	PUNCT
eurjchem-2634	173	1	1h	1h	NUM
eurjchem-2634	173	2	and	and	CCONJ
eurjchem-2634	173	3	13c	13c	NOUN
eurjchem-2634	173	4	nmr	nmr	NOUN
eurjchem-2634	173	5	analyses	analyse	VERB
eurjchem-2634	173	6	1h	1h	NUM
eurjchem-2634	173	7	and	and	CCONJ
eurjchem-2634	173	8	13c	13c	NOUN
eurjchem-2634	173	9	nmr	nmr	NOUN
eurjchem-2634	173	10	chemical	chemical	NOUN
eurjchem-2634	173	11	shift	shift	NOUN
eurjchem-2634	173	12	values	value	NOUN
eurjchem-2634	173	13	for	for	ADP
eurjchem-2634	173	14	the	the	DET
eurjchem-2634	173	15	optimized	optimize	VERB
eurjchem-2634	173	16	title	title	NOUN
eurjchem-2634	173	17	molecule	molecule	NOUN
eurjchem-2634	173	18	geometric	geometric	ADJ
eurjchem-2634	173	19	structure	structure	NOUN
eurjchem-2634	173	20	were	be	AUX
eurjchem-2634	173	21	calculated	calculate	VERB
eurjchem-2634	173	22	using	use	VERB
eurjchem-2634	173	23	the	the	DET
eurjchem-2634	173	24	gaugeincluding	gaugeinclude	VERB
eurjchem-2634	173	25	atomic	atomic	ADJ
eurjchem-2634	173	26	orbital	orbital	NOUN
eurjchem-2634	173	27	(	(	PUNCT
eurjchem-2634	173	28	giao	giao	NOUN
eurjchem-2634	173	29	)	)	PUNCT
eurjchem-2634	173	30	method	method	NOUN
eurjchem-2634	173	31	and	and	CCONJ
eurjchem-2634	173	32	the	the	DET
eurjchem-2634	173	33	iefpcm	iefpcm	ADJ
eurjchem-2634	173	34	model	model	NOUN
eurjchem-2634	173	35	with	with	ADP
eurjchem-2634	173	36	the	the	DET
eurjchem-2634	173	37	6	6	NUM
eurjchem-2634	173	38	-	-	SYM
eurjchem-2634	173	39	311+(2d	311+(2d	NUM
eurjchem-2634	173	40	,	,	PUNCT
eurjchem-2634	173	41	p	p	NOUN
eurjchem-2634	173	42	)	)	PUNCT
eurjchem-2634	173	43	basis	basis	NOUN
eurjchem-2634	173	44	set	set	VERB
eurjchem-2634	173	45	for	for	ADP
eurjchem-2634	173	46	ethanol	ethanol	NOUN
eurjchem-2634	173	47	,	,	PUNCT
eurjchem-2634	173	48	dmso	dmso	NOUN
eurjchem-2634	173	49	,	,	PUNCT
eurjchem-2634	173	50	and	and	CCONJ
eurjchem-2634	173	51	water	water	NOUN
eurjchem-2634	173	52	solvents	solvent	NOUN
eurjchem-2634	173	53	[	[	X
eurjchem-2634	173	54	17	17	NUM
eurjchem-2634	173	55	]	]	PUNCT
eurjchem-2634	173	56	.	.	PUNCT
eurjchem-2634	174	1	the	the	DET
eurjchem-2634	174	2	results	result	NOUN
eurjchem-2634	174	3	(	(	PUNCT
eurjchem-2634	174	4	table	table	NOUN
eurjchem-2634	174	5	3	3	NUM
eurjchem-2634	174	6	)	)	PUNCT
eurjchem-2634	174	7	indicate	indicate	VERB
eurjchem-2634	174	8	that	that	SCONJ
eurjchem-2634	174	9	the	the	DET
eurjchem-2634	174	10	13c	13c	NOUN
eurjchem-2634	174	11	nmr	nmr	NOUN
eurjchem-2634	174	12	chemical	chemical	NOUN
eurjchem-2634	174	13	shift	shift	NOUN
eurjchem-2634	174	14	of	of	ADP
eurjchem-2634	174	15	the	the	DET
eurjchem-2634	174	16	typical	typical	ADJ
eurjchem-2634	174	17	organic	organic	ADJ
eurjchem-2634	174	18	molecule	molecule	NOUN
eurjchem-2634	174	19	is	be	AUX
eurjchem-2634	174	20	typically	typically	ADV
eurjchem-2634	174	21	calculated	calculate	VERB
eurjchem-2634	174	22	in	in	ADP
eurjchem-2634	174	23	the	the	DET
eurjchem-2634	174	24	region	region	NOUN
eurjchem-2634	174	25	of	of	ADP
eurjchem-2634	174	26	δ	δ	PROPN
eurjchem-2634	174	27	10	10	NUM
eurjchem-2634	174	28	-	-	SYM
eurjchem-2634	174	29	200	200	NUM
eurjchem-2634	174	30	ppm	ppm	NOUN
eurjchem-2634	174	31	[	[	X
eurjchem-2634	174	32	31	31	NUM
eurjchem-2634	174	33	]	]	PUNCT
eurjchem-2634	174	34	.	.	PUNCT
eurjchem-2634	175	1	the	the	DET
eurjchem-2634	175	2	highest	high	ADJ
eurjchem-2634	175	3	chemical	chemical	NOUN
eurjchem-2634	175	4	shift	shift	NOUN
eurjchem-2634	175	5	value	value	NOUN
eurjchem-2634	175	6	among	among	ADP
eurjchem-2634	175	7	the	the	DET
eurjchem-2634	175	8	c	c	NOUN
eurjchem-2634	175	9	atoms	atom	NOUN
eurjchem-2634	175	10	belongs	belong	VERB
eurjchem-2634	175	11	to	to	ADP
eurjchem-2634	175	12	the	the	DET
eurjchem-2634	175	13	c15	c15	NOUN
eurjchem-2634	175	14	atom	atom	NOUN
eurjchem-2634	175	15	of	of	ADP
eurjchem-2634	175	16	the	the	DET
eurjchem-2634	175	17	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	175	18	group	group	NOUN
eurjchem-2634	175	19	and	and	CCONJ
eurjchem-2634	175	20	was	be	AUX
eurjchem-2634	175	21	calculated	calculate	VERB
eurjchem-2634	175	22	as	as	ADP
eurjchem-2634	175	23	δ	δ	PROPN
eurjchem-2634	175	24	203.44	203.44	NUM
eurjchem-2634	175	25	ppm	ppm	NOUN
eurjchem-2634	175	26	in	in	ADP
eurjchem-2634	175	27	the	the	DET
eurjchem-2634	175	28	ethanol	ethanol	NOUN
eurjchem-2634	175	29	solution	solution	NOUN
eurjchem-2634	175	30	,	,	PUNCT
eurjchem-2634	175	31	δ	δ	PROPN
eurjchem-2634	175	32	203.54	203.54	NUM
eurjchem-2634	175	33	ppm	ppm	NOUN
eurjchem-2634	175	34	in	in	ADP
eurjchem-2634	175	35	the	the	DET
eurjchem-2634	175	36	dmso	dmso	ADJ
eurjchem-2634	175	37	solution	solution	NOUN
eurjchem-2634	175	38	,	,	PUNCT
eurjchem-2634	175	39	and	and	CCONJ
eurjchem-2634	175	40	δ	δ	PROPN
eurjchem-2634	175	41	203.14	203.14	NUM
eurjchem-2634	175	42	ppm	ppm	NOUN
eurjchem-2634	175	43	in	in	ADP
eurjchem-2634	175	44	the	the	DET
eurjchem-2634	175	45	water	water	NOUN
eurjchem-2634	175	46	solution	solution	NOUN
eurjchem-2634	175	47	.	.	PUNCT
eurjchem-2634	176	1	the	the	DET
eurjchem-2634	176	2	smallest	small	ADJ
eurjchem-2634	176	3	chemical	chemical	NOUN
eurjchem-2634	176	4	shift	shift	NOUN
eurjchem-2634	176	5	value	value	NOUN
eurjchem-2634	176	6	was	be	AUX
eurjchem-2634	176	7	obtained	obtain	VERB
eurjchem-2634	176	8	for	for	ADP
eurjchem-2634	176	9	the	the	DET
eurjchem-2634	176	10	c13	c13	NOUN
eurjchem-2634	176	11	atom	atom	NOUN
eurjchem-2634	176	12	and	and	CCONJ
eurjchem-2634	176	13	was	be	AUX
eurjchem-2634	176	14	found	find	VERB
eurjchem-2634	176	15	to	to	PART
eurjchem-2634	176	16	be	be	AUX
eurjchem-2634	176	17	δ	δ	PROPN
eurjchem-2634	176	18	123.16	123.16	NUM
eurjchem-2634	176	19	,	,	PUNCT
eurjchem-2634	176	20	123.17	123.17	NUM
eurjchem-2634	176	21	,	,	PUNCT
eurjchem-2634	176	22	and	and	CCONJ
eurjchem-2634	176	23	123.21	123.21	NUM
eurjchem-2634	176	24	ppm	ppm	NOUN
eurjchem-2634	176	25	for	for	ADP
eurjchem-2634	176	26	the	the	DET
eurjchem-2634	176	27	solvents	solvent	NOUN
eurjchem-2634	176	28	.	.	PUNCT
eurjchem-2634	177	1	for	for	ADP
eurjchem-2634	177	2	ethanol	ethanol	NOUN
eurjchem-2634	177	3	,	,	PUNCT
eurjchem-2634	177	4	dmso	dmso	NOUN
eurjchem-2634	177	5	,	,	PUNCT
eurjchem-2634	177	6	and	and	CCONJ
eurjchem-2634	177	7	water	water	NOUN
eurjchem-2634	177	8	solutions	solution	NOUN
eurjchem-2634	177	9	,	,	PUNCT
eurjchem-2634	177	10	the	the	DET
eurjchem-2634	177	11	chemical	chemical	NOUN
eurjchem-2634	177	12	shift	shift	NOUN
eurjchem-2634	177	13	values	value	NOUN
eurjchem-2634	177	14	for	for	ADP
eurjchem-2634	177	15	the	the	DET
eurjchem-2634	177	16	c8	c8	PROPN
eurjchem-2634	177	17	and	and	CCONJ
eurjchem-2634	177	18	c14	c14	NOUN
eurjchem-2634	177	19	atoms	atom	NOUN
eurjchem-2634	177	20	are	be	AUX
eurjchem-2634	177	21	δ	δ	PROPN
eurjchem-2634	177	22	156.48/156.43/155.63	156.48/156.43/155.63	NUM
eurjchem-2634	177	23	ppm	ppm	NOUN
eurjchem-2634	177	24	and	and	CCONJ
eurjchem-2634	177	25	δ	δ	PROPN
eurjchem-2634	177	26	156.88/156.87/156.57	156.88/156.87/156.57	PROPN
eurjchem-2634	177	27	ppm	ppm	NOUN
eurjchem-2634	177	28	,	,	PUNCT
eurjchem-2634	177	29	respectively	respectively	ADV
eurjchem-2634	177	30	.	.	PUNCT
eurjchem-2634	178	1	chemical	chemical	NOUN
eurjchem-2634	178	2	shift	shift	NOUN
eurjchem-2634	178	3	values	value	NOUN
eurjchem-2634	178	4	for	for	ADP
eurjchem-2634	178	5	the	the	DET
eurjchem-2634	178	6	c6	c6	PROPN
eurjchem-2634	178	7	,	,	PUNCT
eurjchem-2634	178	8	c7	c7	PROPN
eurjchem-2634	178	9	,	,	PUNCT
eurjchem-2634	178	10	c9	c9	PROPN
eurjchem-2634	178	11	,	,	PUNCT
eurjchem-2634	178	12	c10	c10	PROPN
eurjchem-2634	178	13	,	,	PUNCT
eurjchem-2634	178	14	c11	c11	NOUN
eurjchem-2634	178	15	and	and	CCONJ
eurjchem-2634	178	16	c12	c12	NOUN
eurjchem-2634	178	17	atoms	atom	NOUN
eurjchem-2634	178	18	are	be	AUX
eurjchem-2634	178	19	δ	δ	PROPN
eurjchem-2634	178	20	133.59	133.59	NUM
eurjchem-2634	178	21	,	,	PUNCT
eurjchem-2634	178	22	145.16	145.16	NUM
eurjchem-2634	178	23	,	,	PUNCT
eurjchem-2634	178	24	134.17	134.17	NUM
eurjchem-2634	178	25	,	,	PUNCT
eurjchem-2634	178	26	140.71	140.71	NUM
eurjchem-2634	178	27	,	,	PUNCT
eurjchem-2634	178	28	130.00	130.00	NUM
eurjchem-2634	178	29	,	,	PUNCT
eurjchem-2634	178	30	and	and	CCONJ
eurjchem-2634	178	31	135.82	135.82	NUM
eurjchem-2634	178	32	ppm	ppm	NOUN
eurjchem-2634	178	33	in	in	ADP
eurjchem-2634	178	34	ethanol	ethanol	NOUN
eurjchem-2634	178	35	solution	solution	NOUN
eurjchem-2634	178	36	,	,	PUNCT
eurjchem-2634	178	37	and	and	CCONJ
eurjchem-2634	178	38	δ	δ	PROPN
eurjchem-2634	178	39	133.74	133.74	NUM
eurjchem-2634	178	40	,	,	PUNCT
eurjchem-2634	178	41	145.16	145.16	NUM
eurjchem-2634	178	42	,	,	PUNCT
eurjchem-2634	178	43	134.18	134.18	NUM
eurjchem-2634	178	44	,	,	PUNCT
eurjchem-2634	178	45	140.78	140.78	NUM
eurjchem-2634	178	46	,	,	PUNCT
eurjchem-2634	178	47	130.05	130.05	NUM
eurjchem-2634	178	48	,	,	PUNCT
eurjchem-2634	178	49	135.89	135.89	NUM
eurjchem-2634	178	50	ppm	ppm	NOUN
eurjchem-2634	178	51	and	and	CCONJ
eurjchem-2634	178	52	δ	δ	PROPN
eurjchem-2634	178	53	133.04	133.04	NUM
eurjchem-2634	178	54	,	,	PUNCT
eurjchem-2634	178	55	146.47	146.47	NUM
eurjchem-2634	178	56	,	,	PUNCT
eurjchem-2634	178	57	134.08	134.08	NUM
eurjchem-2634	178	58	,	,	PUNCT
eurjchem-2634	178	59	140.16	140.16	NUM
eurjchem-2634	178	60	,	,	PUNCT
eurjchem-2634	178	61	129.15	129.15	NUM
eurjchem-2634	178	62	,	,	PUNCT
eurjchem-2634	178	63	and	and	CCONJ
eurjchem-2634	178	64	135.54	135.54	NUM
eurjchem-2634	178	65	ppm	ppm	NOUN
eurjchem-2634	178	66	in	in	ADP
eurjchem-2634	178	67	dmso	dmso	ADJ
eurjchem-2634	178	68	solution	solution	NOUN
eurjchem-2634	178	69	.	.	PUNCT
eurjchem-2634	179	1	74	74	NUM
eurjchem-2634	179	2	ceyhun	ceyhun	NOUN
eurjchem-2634	179	3	kucuk	kucuk	NOUN
eurjchem-2634	179	4	/	/	SYM
eurjchem-2634	179	5	european	european	PROPN
eurjchem-2634	179	6	journal	journal	PROPN
eurjchem-2634	179	7	of	of	ADP
eurjchem-2634	179	8	chemistry	chemistry	NOUN
eurjchem-2634	179	9	16	16	NUM
eurjchem-2634	179	10	(	(	PUNCT
eurjchem-2634	179	11	1	1	NUM
eurjchem-2634	179	12	)	)	PUNCT
eurjchem-2634	179	13	(	(	PUNCT
eurjchem-2634	179	14	2025	2025	NUM
eurjchem-2634	179	15	)	)	PUNCT
eurjchem-2634	179	16	70	70	NUM
eurjchem-2634	179	17	-	-	SYM
eurjchem-2634	179	18	82	82	NUM
eurjchem-2634	179	19	2025	2025	NUM
eurjchem-2634	179	20	–	–	PUNCT
eurjchem-2634	179	21	european	european	ADJ
eurjchem-2634	179	22	journal	journal	NOUN
eurjchem-2634	179	23	of	of	ADP
eurjchem-2634	179	24	chemistry	chemistry	NOUN
eurjchem-2634	179	25	–	–	PUNCT
eurjchem-2634	179	26	cc	cc	NOUN
eurjchem-2634	179	27	by	by	ADP
eurjchem-2634	179	28	nc	nc	PROPN
eurjchem-2634	179	29	–	–	PUNCT
eurjchem-2634	179	30	doi	doi	NOUN
eurjchem-2634	179	31	:	:	PUNCT
eurjchem-2634	179	32	10.5155	10.5155	NUM
eurjchem-2634	179	33	/	/	SYM
eurjchem-2634	179	34	eurjchem.16.1.70	eurjchem.16.1.70	SYM
eurjchem-2634	179	35	-	-	PUNCT
eurjchem-2634	179	36	82.2634	82.2634	NUM
eurjchem-2634	179	37	tablo	tablo	NOUN
eurjchem-2634	179	38	3	3	NUM
eurjchem-2634	179	39	.	.	PUNCT
eurjchem-2634	179	40	calculated	calculate	VERB
eurjchem-2634	179	41	1h	1h	NOUN
eurjchem-2634	179	42	and	and	CCONJ
eurjchem-2634	179	43	13c	13c	NOUN
eurjchem-2634	179	44	nmr	nmr	NOUN
eurjchem-2634	179	45	chemical	chemical	NOUN
eurjchem-2634	179	46	shift	shift	NOUN
eurjchem-2634	179	47	values	value	NOUN
eurjchem-2634	179	48	of	of	ADP
eurjchem-2634	179	49	the	the	DET
eurjchem-2634	179	50	5,7	5,7	NUM
eurjchem-2634	179	51	-	-	PUNCT
eurjchem-2634	179	52	dichloro-8	dichloro-8	VERB
eurjchem-2634	179	53	-	-	PUNCT
eurjchem-2634	179	54	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	179	55	-	-	PUNCT
eurjchem-2634	179	56	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	179	57	molecule	molecule	NOUN
eurjchem-2634	179	58	.	.	PUNCT
eurjchem-2634	180	1	atoms	atom	NOUN
eurjchem-2634	180	2	ethanol	ethanol	NOUN
eurjchem-2634	180	3	ε	ε	PROPN
eurjchem-2634	180	4	=	=	SYM
eurjchem-2634	180	5	24.3	24.3	NUM
eurjchem-2634	180	6	dmso	dmso	NOUN
eurjchem-2634	180	7	ε	ε	PROPN
eurjchem-2634	180	8	=	=	SYM
eurjchem-2634	180	9	46.8	46.8	NUM
eurjchem-2634	180	10	water	water	NOUN
eurjchem-2634	180	11	ε	ε	PROPN
eurjchem-2634	180	12	=	=	NOUN
eurjchem-2634	180	13	78.3	78.3	NUM
eurjchem-2634	180	14	atoms	atom	NOUN
eurjchem-2634	180	15	ethanol	ethanol	NOUN
eurjchem-2634	180	16	ε	ε	NOUN
eurjchem-2634	180	17	=	=	SYM
eurjchem-2634	180	18	24.3	24.3	NUM
eurjchem-2634	180	19	dmso	dmso	NOUN
eurjchem-2634	180	20	ε	ε	PROPN
eurjchem-2634	180	21	=	=	SYM
eurjchem-2634	180	22	46.8	46.8	NUM
eurjchem-2634	180	23	water	water	NOUN
eurjchem-2634	180	24	ε	ε	PROPN
eurjchem-2634	180	25	=	=	PUNCT
eurjchem-2634	180	26	78.3	78.3	NUM
eurjchem-2634	180	27	h16	h16	PROPN
eurjchem-2634	180	28	9.02	9.02	NUM
eurjchem-2634	180	29	9.02	9.02	NUM
eurjchem-2634	180	30	8.78	8.78	NUM
eurjchem-2634	180	31	c6	c6	PROPN
eurjchem-2634	180	32	133.59	133.59	NUM
eurjchem-2634	180	33	133.74	133.74	NUM
eurjchem-2634	180	34	133.04	133.04	NUM
eurjchem-2634	180	35	h17	h17	NOUN
eurjchem-2634	180	36	8.13	8.13	NUM
eurjchem-2634	180	37	8.13	8.13	NUM
eurjchem-2634	180	38	7.94	7.94	NUM
eurjchem-2634	180	39	c7	c7	PROPN
eurjchem-2634	180	40	145.16	145.16	NUM
eurjchem-2634	180	41	145.16	145.16	NUM
eurjchem-2634	180	42	146.67	146.67	NUM
eurjchem-2634	180	43	h18	h18	NOUN
eurjchem-2634	180	44	8.53	8.53	NUM
eurjchem-2634	180	45	8.53	8.53	NUM
eurjchem-2634	180	46	8.44	8.44	NUM
eurjchem-2634	180	47	c8	c8	PROPN
eurjchem-2634	180	48	156.48	156.48	NUM
eurjchem-2634	180	49	156.46	156.46	NUM
eurjchem-2634	180	50	155.63	155.63	NUM
eurjchem-2634	180	51	h19	h19	PROPN
eurjchem-2634	180	52	10.62	10.62	NUM
eurjchem-2634	180	53	10.62	10.62	NUM
eurjchem-2634	180	54	10.39	10.39	NUM
eurjchem-2634	180	55	c9	c9	NOUN
eurjchem-2634	180	56	134.17	134.17	NUM
eurjchem-2634	180	57	134.18	134.18	NUM
eurjchem-2634	180	58	134.08	134.08	NUM
eurjchem-2634	180	59	h20	h20	NOUN
eurjchem-2634	180	60	6.20	6.20	NUM
eurjchem-2634	180	61	6.22	6.22	NUM
eurjchem-2634	180	62	6.25	6.25	NUM
eurjchem-2634	180	63	c10	c10	VERB
eurjchem-2634	180	64	140.71	140.71	NUM
eurjchem-2634	180	65	140.78	140.78	NUM
eurjchem-2634	180	66	140.16	140.16	NUM
eurjchem-2634	180	67	c11	c11	NOUN
eurjchem-2634	180	68	130.00	130.00	NUM
eurjchem-2634	180	69	130.05	130.05	NUM
eurjchem-2634	180	70	129.95	129.95	NUM
eurjchem-2634	180	71	c12	c12	NOUN
eurjchem-2634	180	72	135.82	135.82	NUM
eurjchem-2634	180	73	135.89	135.89	NUM
eurjchem-2634	180	74	135.54	135.54	NUM
eurjchem-2634	180	75	c13	c13	NOUN
eurjchem-2634	180	76	123.16	123.16	NUM
eurjchem-2634	180	77	123.17	123.17	NUM
eurjchem-2634	180	78	123.21	123.21	NUM
eurjchem-2634	180	79	c14	c14	NOUN
eurjchem-2634	180	80	156.88	156.88	NUM
eurjchem-2634	180	81	156.87	156.87	NUM
eurjchem-2634	180	82	156.57	156.57	NUM
eurjchem-2634	180	83	c15	c15	NOUN
eurjchem-2634	180	84	203.44	203.44	NUM
eurjchem-2634	180	85	203.54	203.54	NUM
eurjchem-2634	180	86	203.14	203.14	NUM
eurjchem-2634	180	87	table	table	NOUN
eurjchem-2634	180	88	4	4	NUM
eurjchem-2634	180	89	.	.	PUNCT
eurjchem-2634	180	90	energy	energy	NOUN
eurjchem-2634	180	91	values	value	NOUN
eurjchem-2634	180	92	of	of	ADP
eurjchem-2634	180	93	quantum	quantum	ADJ
eurjchem-2634	180	94	chemical	chemical	NOUN
eurjchem-2634	180	95	properties	property	NOUN
eurjchem-2634	180	96	of	of	ADP
eurjchem-2634	180	97	molecule	molecule	NOUN
eurjchem-2634	180	98	5,7	5,7	NUM
eurjchem-2634	180	99	-	-	PUNCT
eurjchem-2634	180	100	dichloro-8	dichloro-8	NUM
eurjchem-2634	180	101	-	-	PUNCT
eurjchem-2634	180	102	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	180	103	-	-	PUNCT
eurjchem-2634	180	104	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	180	105	molecule	molecule	NOUN
eurjchem-2634	180	106	.	.	PUNCT
eurjchem-2634	181	1	parameters	parameter	NOUN
eurjchem-2634	181	2	energy	energy	NOUN
eurjchem-2634	181	3	values	value	NOUN
eurjchem-2634	181	4	(	(	PUNCT
eurjchem-2634	181	5	ev	ev	NOUN
eurjchem-2634	181	6	)	)	PUNCT
eurjchem-2634	181	7	gas	gas	NOUN
eurjchem-2634	181	8	ε	ε	NOUN
eurjchem-2634	181	9	=	=	SYM
eurjchem-2634	181	10	1	1	NUM
eurjchem-2634	181	11	ethanol	ethanol	NOUN
eurjchem-2634	181	12	ε	ε	NOUN
eurjchem-2634	181	13	=	=	SYM
eurjchem-2634	181	14	24.3	24.3	NUM
eurjchem-2634	181	15	dmso	dmso	NOUN
eurjchem-2634	181	16	ε	ε	PROPN
eurjchem-2634	181	17	=	=	SYM
eurjchem-2634	181	18	46.8	46.8	NUM
eurjchem-2634	181	19	water	water	NOUN
eurjchem-2634	181	20	ε	ε	PROPN
eurjchem-2634	182	1	=	=	SYM
eurjchem-2634	183	1	78.3	78.3	NUM
eurjchem-2634	183	2	ehomo	ehomo	NOUN
eurjchem-2634	183	3	-2.89	-2.89	INTJ
eurjchem-2634	183	4	-2.89	-2.89	NOUN
eurjchem-2634	183	5	-2.89	-2.89	INTJ
eurjchem-2634	183	6	-2.89	-2.89	NOUN
eurjchem-2634	183	7	elumo	elumo	ADJ
eurjchem-2634	183	8	-6.71	-6.71	VERB
eurjchem-2634	183	9	-6.57	-6.57	PROPN
eurjchem-2634	183	10	-6.57	-6.57	PROPN
eurjchem-2634	183	11	-6.57	-6.57	PRON
eurjchem-2634	183	12	energy	energy	NOUN
eurjchem-2634	183	13	band	band	NOUN
eurjchem-2634	183	14	gap	gap	NOUN
eurjchem-2634	183	15	(	(	PUNCT
eurjchem-2634	183	16	δe	δe	NOUN
eurjchem-2634	183	17	=	=	PUNCT
eurjchem-2634	183	18	elumo	elumo	ADJ
eurjchem-2634	183	19	-	-	PUNCT
eurjchem-2634	183	20	ehomo	ehomo	NOUN
eurjchem-2634	183	21	)	)	PUNCT
eurjchem-2634	183	22	3.83	3.83	NUM
eurjchem-2634	183	23	3.69	3.69	NUM
eurjchem-2634	183	24	3.69	3.69	NUM
eurjchem-2634	183	25	3.69	3.69	NUM
eurjchem-2634	183	26	iozination	iozination	NOUN
eurjchem-2634	183	27	potential	potential	NOUN
eurjchem-2634	183	28	(	(	PUNCT
eurjchem-2634	183	29	i	i	NOUN
eurjchem-2634	183	30	=	=	PUNCT
eurjchem-2634	183	31	-ehomo	-ehomo	NOUN
eurjchem-2634	183	32	)	)	PUNCT
eurjchem-2634	183	33	6.71	6.71	NUM
eurjchem-2634	183	34	6.57	6.57	NUM
eurjchem-2634	183	35	6.57	6.57	NUM
eurjchem-2634	183	36	6.57	6.57	NUM
eurjchem-2634	183	37	electron	electron	NOUN
eurjchem-2634	183	38	affinity	affinity	NOUN
eurjchem-2634	183	39	(	(	PUNCT
eurjchem-2634	183	40	a	a	DET
eurjchem-2634	183	41	=	=	PUNCT
eurjchem-2634	183	42	-elumo	-elumo	ADJ
eurjchem-2634	183	43	)	)	PUNCT
eurjchem-2634	183	44	2.89	2.89	NUM
eurjchem-2634	183	45	2.89	2.89	NUM
eurjchem-2634	183	46	2.89	2.89	NUM
eurjchem-2634	183	47	2.89	2.89	NUM
eurjchem-2634	183	48	chemical	chemical	NOUN
eurjchem-2634	183	49	hardnes	hardne	NOUN
eurjchem-2634	183	50	(	(	PUNCT
eurjchem-2634	183	51	η	η	X
eurjchem-2634	183	52	=	=	PROPN
eurjchem-2634	183	53	(	(	PUNCT
eurjchem-2634	183	54	-ehomo+elumo)/2	-ehomo+elumo)/2	NOUN
eurjchem-2634	183	55	)	)	PUNCT
eurjchem-2634	183	56	)	)	PUNCT
eurjchem-2634	183	57	1.91	1.91	NUM
eurjchem-2634	183	58	1.84	1.84	NUM
eurjchem-2634	183	59	1.84	1.84	NUM
eurjchem-2634	183	60	1.84	1.84	NUM
eurjchem-2634	183	61	chemical	chemical	NOUN
eurjchem-2634	183	62	softness	softness	NOUN
eurjchem-2634	183	63	(	(	PUNCT
eurjchem-2634	183	64	σ	σ	NOUN
eurjchem-2634	183	65	=	=	SYM
eurjchem-2634	183	66	1/2η	1/2η	NUM
eurjchem-2634	183	67	)	)	PUNCT
eurjchem-2634	183	68	)	)	PUNCT
eurjchem-2634	184	1	0.52	0.52	NUM
eurjchem-2634	184	2	0.54	0.54	NUM
eurjchem-2634	184	3	054	054	NUM
eurjchem-2634	184	4	054	054	NUM
eurjchem-2634	184	5	electronegativity	electronegativity	NOUN
eurjchem-2634	184	6	(	(	PUNCT
eurjchem-2634	184	7	χ	χ	NOUN
eurjchem-2634	184	8	=	=	PUNCT
eurjchem-2634	184	9	-μc	-μc	PROPN
eurjchem-2634	184	10	)	)	PUNCT
eurjchem-2634	184	11	4.80	4.80	NUM
eurjchem-2634	184	12	4.73	4.73	NUM
eurjchem-2634	184	13	4.73	4.73	NUM
eurjchem-2634	184	14	4.73	4.73	NUM
eurjchem-2634	184	15	chemical	chemical	NOUN
eurjchem-2634	184	16	potential	potential	NOUN
eurjchem-2634	184	17	(	(	PUNCT
eurjchem-2634	184	18	μc	μc	NOUN
eurjchem-2634	184	19	=	=	SYM
eurjchem-2634	184	20	(	(	PUNCT
eurjchem-2634	184	21	ehomo+elumo)/2	ehomo+elumo)/2	PROPN
eurjchem-2634	184	22	)	)	PUNCT
eurjchem-2634	184	23	)	)	PUNCT
eurjchem-2634	184	24	-4.80	-4.80	NOUN
eurjchem-2634	184	25	-4.73	-4.73	PROPN
eurjchem-2634	184	26	-4.73	-4.73	PROPN
eurjchem-2634	184	27	-4.73	-4.73	ADP
eurjchem-2634	184	28	global	global	ADJ
eurjchem-2634	184	29	electrophilicity	electrophilicity	NOUN
eurjchem-2634	184	30	(	(	PUNCT
eurjchem-2634	184	31	ω	ω	NOUN
eurjchem-2634	184	32	=	=	SYM
eurjchem-2634	184	33	μc2/2η	μc2/2η	PROPN
eurjchem-2634	184	34	)	)	PUNCT
eurjchem-2634	184	35	6.02	6.02	NUM
eurjchem-2634	184	36	6.07	6.07	NUM
eurjchem-2634	184	37	6.07	6.07	NUM
eurjchem-2634	184	38	6.07	6.07	NUM
eurjchem-2634	184	39	figure	figure	NOUN
eurjchem-2634	184	40	3	3	NUM
eurjchem-2634	184	41	.	.	PUNCT
eurjchem-2634	184	42	calculated	calculate	VERB
eurjchem-2634	184	43	ir	ir	PROPN
eurjchem-2634	184	44	spectrum	spectrum	NOUN
eurjchem-2634	184	45	of	of	ADP
eurjchem-2634	184	46	the	the	DET
eurjchem-2634	184	47	5,7	5,7	NUM
eurjchem-2634	184	48	-	-	PUNCT
eurjchem-2634	184	49	dichloro-8	dichloro-8	VERB
eurjchem-2634	184	50	-	-	PUNCT
eurjchem-2634	184	51	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	184	52	-	-	PUNCT
eurjchem-2634	184	53	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	184	54	molecule	molecule	NOUN
eurjchem-2634	184	55	.	.	PUNCT
eurjchem-2634	185	1	the	the	DET
eurjchem-2634	185	2	aromatic	aromatic	ADJ
eurjchem-2634	185	3	proton	proton	NOUN
eurjchem-2634	185	4	signals	signal	NOUN
eurjchem-2634	185	5	of	of	ADP
eurjchem-2634	185	6	the	the	DET
eurjchem-2634	185	7	organic	organic	ADJ
eurjchem-2634	185	8	molecules	molecule	NOUN
eurjchem-2634	185	9	are	be	AUX
eurjchem-2634	185	10	observed	observe	VERB
eurjchem-2634	185	11	around	around	ADP
eurjchem-2634	185	12	δ	δ	PROPN
eurjchem-2634	185	13	6.20	6.20	NUM
eurjchem-2634	185	14	-	-	SYM
eurjchem-2634	185	15	8.20	8.20	NUM
eurjchem-2634	185	16	ppm	ppm	NOUN
eurjchem-2634	185	17	[	[	X
eurjchem-2634	185	18	32	32	NUM
eurjchem-2634	185	19	]	]	PUNCT
eurjchem-2634	185	20	.	.	PUNCT
eurjchem-2634	186	1	chemical	chemical	NOUN
eurjchem-2634	186	2	shift	shift	NOUN
eurjchem-2634	186	3	values	value	NOUN
eurjchem-2634	186	4	for	for	ADP
eurjchem-2634	186	5	h16	h16	PROPN
eurjchem-2634	186	6	,	,	PUNCT
eurjchem-2634	186	7	h17	h17	PROPN
eurjchem-2634	186	8	,	,	PUNCT
eurjchem-2634	186	9	h18	h18	NOUN
eurjchem-2634	186	10	and	and	CCONJ
eurjchem-2634	186	11	h19	h19	PROPN
eurjchem-2634	186	12	atoms	atom	NOUN
eurjchem-2634	186	13	were	be	AUX
eurjchem-2634	186	14	calculated	calculate	VERB
eurjchem-2634	186	15	as	as	ADP
eurjchem-2634	186	16	δ	δ	PROPN
eurjchem-2634	186	17	9.02	9.02	NUM
eurjchem-2634	186	18	,	,	PUNCT
eurjchem-2634	186	19	8.13	8.13	NUM
eurjchem-2634	186	20	,	,	PUNCT
eurjchem-2634	186	21	8.53	8.53	NUM
eurjchem-2634	186	22	and	and	CCONJ
eurjchem-2634	186	23	10.62	10.62	NUM
eurjchem-2634	186	24	ppm	ppm	NOUN
eurjchem-2634	186	25	for	for	ADP
eurjchem-2634	186	26	ethanol	ethanol	NOUN
eurjchem-2634	186	27	and	and	CCONJ
eurjchem-2634	186	28	dmso	dmso	ADJ
eurjchem-2634	186	29	solutions	solution	NOUN
eurjchem-2634	186	30	,	,	PUNCT
eurjchem-2634	186	31	respectively	respectively	ADV
eurjchem-2634	186	32	.	.	PUNCT
eurjchem-2634	187	1	in	in	ADP
eurjchem-2634	187	2	water	water	NOUN
eurjchem-2634	187	3	solution	solution	NOUN
eurjchem-2634	187	4	,	,	PUNCT
eurjchem-2634	187	5	they	they	PRON
eurjchem-2634	187	6	were	be	AUX
eurjchem-2634	187	7	calculated	calculate	VERB
eurjchem-2634	187	8	as	as	ADP
eurjchem-2634	187	9	δ	δ	PROPN
eurjchem-2634	187	10	8.78	8.78	NUM
eurjchem-2634	187	11	,	,	PUNCT
eurjchem-2634	187	12	7.94	7.94	NUM
eurjchem-2634	187	13	,	,	PUNCT
eurjchem-2634	187	14	8.44	8.44	NUM
eurjchem-2634	187	15	and	and	CCONJ
eurjchem-2634	187	16	10.39	10.39	NUM
eurjchem-2634	187	17	ppm	ppm	NOUN
eurjchem-2634	187	18	.	.	PUNCT
eurjchem-2634	188	1	the	the	DET
eurjchem-2634	188	2	chemical	chemical	ADJ
eurjchem-2634	188	3	shift	shift	NOUN
eurjchem-2634	188	4	values	value	NOUN
eurjchem-2634	188	5	for	for	ADP
eurjchem-2634	188	6	the	the	DET
eurjchem-2634	188	7	h2o	h2o	PROPN
eurjchem-2634	188	8	atom	atom	NOUN
eurjchem-2634	188	9	are	be	AUX
eurjchem-2634	188	10	δ	δ	PROPN
eurjchem-2634	188	11	6.20	6.20	NUM
eurjchem-2634	188	12	,	,	PUNCT
eurjchem-2634	188	13	6.22	6.22	NUM
eurjchem-2634	188	14	,	,	PUNCT
eurjchem-2634	188	15	and	and	CCONJ
eurjchem-2634	188	16	6.25	6.25	NUM
eurjchem-2634	188	17	ppm	ppm	NOUN
eurjchem-2634	188	18	.	.	PUNCT
eurjchem-2634	189	1	when	when	SCONJ
eurjchem-2634	189	2	nmr	nmr	NOUN
eurjchem-2634	189	3	calculations	calculation	NOUN
eurjchem-2634	189	4	made	make	VERB
eurjchem-2634	189	5	in	in	ADP
eurjchem-2634	189	6	different	different	ADJ
eurjchem-2634	189	7	solvents	solvent	NOUN
eurjchem-2634	189	8	are	be	AUX
eurjchem-2634	189	9	compared	compare	VERB
eurjchem-2634	189	10	with	with	ADP
eurjchem-2634	189	11	each	each	DET
eurjchem-2634	189	12	other	other	ADJ
eurjchem-2634	189	13	,	,	PUNCT
eurjchem-2634	189	14	the	the	DET
eurjchem-2634	189	15	chemical	chemical	NOUN
eurjchem-2634	189	16	shift	shift	NOUN
eurjchem-2634	189	17	values	value	NOUN
eurjchem-2634	189	18	for	for	ADP
eurjchem-2634	189	19	h	h	NOUN
eurjchem-2634	189	20	atoms	atom	NOUN
eurjchem-2634	189	21	are	be	AUX
eurjchem-2634	189	22	found	find	VERB
eurjchem-2634	189	23	to	to	PART
eurjchem-2634	189	24	be	be	AUX
eurjchem-2634	189	25	the	the	DET
eurjchem-2634	189	26	same	same	ADJ
eurjchem-2634	189	27	in	in	ADP
eurjchem-2634	189	28	ethanol	ethanol	NOUN
eurjchem-2634	189	29	and	and	CCONJ
eurjchem-2634	189	30	dimethyl	dimethyl	NOUN
eurjchem-2634	189	31	sulfoxide	sulfoxide	NOUN
eurjchem-2634	189	32	solvents	solvent	NOUN
eurjchem-2634	189	33	,	,	PUNCT
eurjchem-2634	189	34	while	while	SCONJ
eurjchem-2634	189	35	the	the	DET
eurjchem-2634	189	36	chemical	chemical	NOUN
eurjchem-2634	189	37	shift	shift	NOUN
eurjchem-2634	189	38	values	value	NOUN
eurjchem-2634	189	39	shifted	shift	VERB
eurjchem-2634	189	40	to	to	ADP
eurjchem-2634	189	41	smaller	small	ADJ
eurjchem-2634	189	42	values	value	NOUN
eurjchem-2634	189	43	in	in	ADP
eurjchem-2634	189	44	the	the	DET
eurjchem-2634	189	45	water	water	NOUN
eurjchem-2634	189	46	solvent	solvent	NOUN
eurjchem-2634	189	47	,	,	PUNCT
eurjchem-2634	189	48	which	which	PRON
eurjchem-2634	189	49	has	have	VERB
eurjchem-2634	189	50	the	the	DET
eurjchem-2634	189	51	highest	high	ADJ
eurjchem-2634	189	52	dielectric	dielectric	ADJ
eurjchem-2634	189	53	constant	constant	ADJ
eurjchem-2634	189	54	.	.	PUNCT
eurjchem-2634	190	1	similar	similar	ADJ
eurjchem-2634	190	2	results	result	NOUN
eurjchem-2634	190	3	were	be	AUX
eurjchem-2634	190	4	obtained	obtain	VERB
eurjchem-2634	190	5	for	for	ADP
eurjchem-2634	190	6	c	c	NOUN
eurjchem-2634	190	7	atoms	atom	NOUN
eurjchem-2634	190	8	.	.	PUNCT
eurjchem-2634	191	1	3.4	3.4	NUM
eurjchem-2634	191	2	.	.	PUNCT
eurjchem-2634	191	3	frontier	frontier	NOUN
eurjchem-2634	191	4	molecular	molecular	ADJ
eurjchem-2634	191	5	orbitals	orbital	NOUN
eurjchem-2634	191	6	(	(	PUNCT
eurjchem-2634	191	7	fmos	fmos	NOUN
eurjchem-2634	191	8	)	)	PUNCT
eurjchem-2634	191	9	frontier	frontier	NOUN
eurjchem-2634	191	10	molecular	molecular	ADJ
eurjchem-2634	191	11	orbitals	orbital	NOUN
eurjchem-2634	191	12	play	play	VERB
eurjchem-2634	191	13	a	a	DET
eurjchem-2634	191	14	crucial	crucial	ADJ
eurjchem-2634	191	15	role	role	NOUN
eurjchem-2634	191	16	in	in	ADP
eurjchem-2634	191	17	determining	determine	VERB
eurjchem-2634	191	18	the	the	DET
eurjchem-2634	191	19	chemical	chemical	NOUN
eurjchem-2634	191	20	reactivity	reactivity	NOUN
eurjchem-2634	191	21	,	,	PUNCT
eurjchem-2634	191	22	electron	electron	NOUN
eurjchem-2634	191	23	-	-	PUNCT
eurjchem-2634	191	24	donating	donating	NOUN
eurjchem-2634	191	25	,	,	PUNCT
eurjchem-2634	191	26	and	and	CCONJ
eurjchem-2634	191	27	accepting	accept	VERB
eurjchem-2634	191	28	abilities	ability	NOUN
eurjchem-2634	191	29	of	of	ADP
eurjchem-2634	191	30	molecular	molecular	ADJ
eurjchem-2634	191	31	systems	system	NOUN
eurjchem-2634	191	32	[	[	X
eurjchem-2634	191	33	33,34	33,34	NOUN
eurjchem-2634	191	34	]	]	PUNCT
eurjchem-2634	191	35	.	.	PUNCT
eurjchem-2634	192	1	figure	figure	NOUN
eurjchem-2634	192	2	4	4	NUM
eurjchem-2634	192	3	illustrates	illustrate	VERB
eurjchem-2634	192	4	the	the	DET
eurjchem-2634	192	5	frontier	frontier	NOUN
eurjchem-2634	192	6	molecular	molecular	ADJ
eurjchem-2634	192	7	orbital	orbital	NOUN
eurjchem-2634	192	8	,	,	PUNCT
eurjchem-2634	192	9	while	while	SCONJ
eurjchem-2634	192	10	table	table	NOUN
eurjchem-2634	192	11	4	4	NUM
eurjchem-2634	192	12	displays	display	VERB
eurjchem-2634	192	13	the	the	DET
eurjchem-2634	192	14	quantum	quantum	NOUN
eurjchem-2634	192	15	-	-	PUNCT
eurjchem-2634	192	16	chemical	chemical	ADJ
eurjchem-2634	192	17	parameters	parameter	NOUN
eurjchem-2634	192	18	.	.	PUNCT
eurjchem-2634	193	1	the	the	DET
eurjchem-2634	193	2	homo	homo	NOUN
eurjchem-2634	193	3	-	-	PUNCT
eurjchem-2634	193	4	lumo	lumo	NOUN
eurjchem-2634	193	5	energy	energy	NOUN
eurjchem-2634	193	6	gap	gap	NOUN
eurjchem-2634	193	7	is	be	AUX
eurjchem-2634	193	8	calculated	calculate	VERB
eurjchem-2634	193	9	using	use	VERB
eurjchem-2634	193	10	differences	difference	NOUN
eurjchem-2634	193	11	of	of	ADP
eurjchem-2634	193	12	3.83	3.83	NUM
eurjchem-2634	193	13	,	,	PUNCT
eurjchem-2634	193	14	3.58	3.58	NUM
eurjchem-2634	193	15	,	,	PUNCT
eurjchem-2634	193	16	3.58	3.58	NUM
eurjchem-2634	193	17	,	,	PUNCT
eurjchem-2634	193	18	and	and	CCONJ
eurjchem-2634	193	19	3.58	3.58	NUM
eurjchem-2634	193	20	ev	ev	NOUN
eurjchem-2634	193	21	for	for	ADP
eurjchem-2634	193	22	gas	gas	NOUN
eurjchem-2634	193	23	,	,	PUNCT
eurjchem-2634	193	24	ethanol	ethanol	NOUN
eurjchem-2634	193	25	,	,	PUNCT
eurjchem-2634	193	26	dmso	dmso	NOUN
eurjchem-2634	193	27	,	,	PUNCT
eurjchem-2634	193	28	and	and	CCONJ
eurjchem-2634	193	29	water	water	NOUN
eurjchem-2634	193	30	as	as	ADP
eurjchem-2634	193	31	solvents	solvent	NOUN
eurjchem-2634	193	32	.	.	PUNCT
eurjchem-2634	194	1	this	this	PRON
eurjchem-2634	194	2	demonstrates	demonstrate	VERB
eurjchem-2634	194	3	small	small	ADJ
eurjchem-2634	194	4	changes	change	NOUN
eurjchem-2634	194	5	in	in	ADP
eurjchem-2634	194	6	the	the	DET
eurjchem-2634	194	7	band	band	NOUN
eurjchem-2634	194	8	gap	gap	NOUN
eurjchem-2634	194	9	energy	energy	NOUN
eurjchem-2634	194	10	for	for	ADP
eurjchem-2634	194	11	the	the	DET
eurjchem-2634	194	12	solvent	solvent	ADJ
eurjchem-2634	194	13	dielectric	dielectric	NOUN
eurjchem-2634	194	14	constant	constant	ADJ
eurjchem-2634	194	15	,	,	PUNCT
eurjchem-2634	194	16	which	which	PRON
eurjchem-2634	194	17	is	be	AUX
eurjchem-2634	194	18	consistent	consistent	ADJ
eurjchem-2634	194	19	with	with	ADP
eurjchem-2634	194	20	the	the	PRON
eurjchem-2634	194	21	of	of	ADP
eurjchem-2634	194	22	stokes	stoke	NOUN
eurjchem-2634	194	23	shifts	shift	NOUN
eurjchem-2634	194	24	[	[	X
eurjchem-2634	194	25	35	35	NUM
eurjchem-2634	194	26	]	]	PUNCT
eurjchem-2634	194	27	.	.	PUNCT
eurjchem-2634	195	1	the	the	DET
eurjchem-2634	195	2	energy	energy	NOUN
eurjchem-2634	195	3	gap	gap	NOUN
eurjchem-2634	195	4	values	value	NOUN
eurjchem-2634	195	5	observed	observe	VERB
eurjchem-2634	195	6	indicate	indicate	VERB
eurjchem-2634	195	7	the	the	DET
eurjchem-2634	195	8	stability	stability	NOUN
eurjchem-2634	195	9	and	and	CCONJ
eurjchem-2634	195	10	bioactivity	bioactivity	NOUN
eurjchem-2634	195	11	of	of	ADP
eurjchem-2634	195	12	the	the	DET
eurjchem-2634	195	13	5,7	5,7	NUM
eurjchem-2634	195	14	-	-	PUNCT
eurjchem-2634	195	15	dichloro-8hydroxyquinoline-2	dichloro-8hydroxyquinoline-2	ADJ
eurjchem-2634	195	16	-	-	PUNCT
eurjchem-2634	195	17	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	195	18	molecule	molecule	NOUN
eurjchem-2634	195	19	,	,	PUNCT
eurjchem-2634	195	20	as	as	ADV
eurjchem-2634	195	21	well	well	ADV
eurjchem-2634	195	22	as	as	ADP
eurjchem-2634	195	23	the	the	DET
eurjchem-2634	195	24	occurrence	occurrence	NOUN
eurjchem-2634	195	25	of	of	ADP
eurjchem-2634	195	26	charge	charge	NOUN
eurjchem-2634	195	27	transfer	transfer	NOUN
eurjchem-2634	195	28	within	within	ADP
eurjchem-2634	195	29	them	they	PRON
eurjchem-2634	195	30	.	.	PUNCT
eurjchem-2634	196	1	the	the	DET
eurjchem-2634	196	2	chemical	chemical	ADJ
eurjchem-2634	196	3	hardness	hardness	NOUN
eurjchem-2634	196	4	,	,	PUNCT
eurjchem-2634	196	5	calculated	calculate	VERB
eurjchem-2634	196	6	at	at	ADP
eurjchem-2634	196	7	1.91	1.91	NUM
eurjchem-2634	196	8	ev	ev	NOUN
eurjchem-2634	196	9	,	,	PUNCT
eurjchem-2634	196	10	indicates	indicate	VERB
eurjchem-2634	196	11	the	the	DET
eurjchem-2634	196	12	compound	compound	NOUN
eurjchem-2634	196	13	's	's	PART
eurjchem-2634	196	14	stability	stability	NOUN
eurjchem-2634	196	15	,	,	PUNCT
eurjchem-2634	196	16	while	while	SCONJ
eurjchem-2634	196	17	the	the	DET
eurjchem-2634	196	18	electronegativity	electronegativity	NOUN
eurjchem-2634	196	19	(	(	PUNCT
eurjchem-2634	196	20	4.80	4.80	NUM
eurjchem-2634	196	21	ev	ev	NOUN
eurjchem-2634	196	22	)	)	PUNCT
eurjchem-2634	196	23	defines	define	VERB
eurjchem-2634	196	24	the	the	DET
eurjchem-2634	196	25	ability	ability	NOUN
eurjchem-2634	196	26	to	to	PART
eurjchem-2634	196	27	induce	induce	VERB
eurjchem-2634	196	28	shared	shared	ADJ
eurjchem-2634	196	29	electrons	electron	NOUN
eurjchem-2634	196	30	and	and	CCONJ
eurjchem-2634	196	31	predicts	predict	VERB
eurjchem-2634	196	32	the	the	DET
eurjchem-2634	196	33	attraction	attraction	NOUN
eurjchem-2634	196	34	of	of	ADP
eurjchem-2634	196	35	electrons	electron	NOUN
eurjchem-2634	196	36	in	in	ADP
eurjchem-2634	196	37	a	a	DET
eurjchem-2634	196	38	covalent	covalent	ADJ
eurjchem-2634	196	39	bond	bond	NOUN
eurjchem-2634	196	40	.	.	PUNCT
eurjchem-2634	197	1	furthermore	furthermore	ADV
eurjchem-2634	197	2	,	,	PUNCT
eurjchem-2634	197	3	the	the	DET
eurjchem-2634	197	4	chemical	chemical	NOUN
eurjchem-2634	197	5	softness	softness	NOUN
eurjchem-2634	197	6	value	value	NOUN
eurjchem-2634	197	7	of	of	ADP
eurjchem-2634	197	8	0.52	0.52	NUM
eurjchem-2634	197	9	ev	ev	NOUN
eurjchem-2634	197	10	reveals	reveal	VERB
eurjchem-2634	197	11	the	the	DET
eurjchem-2634	197	12	ligand	ligand	NOUN
eurjchem-2634	197	13	's	's	PART
eurjchem-2634	197	14	non	non	ADJ
eurjchem-2634	197	15	-	-	ADJ
eurjchem-2634	197	16	toxic	toxic	ADJ
eurjchem-2634	197	17	nature	nature	NOUN
eurjchem-2634	197	18	.	.	PUNCT
eurjchem-2634	198	1	these	these	DET
eurjchem-2634	198	2	values	value	NOUN
eurjchem-2634	198	3	showed	show	VERB
eurjchem-2634	198	4	very	very	ADV
eurjchem-2634	198	5	small	small	ADJ
eurjchem-2634	198	6	decreases	decrease	NOUN
eurjchem-2634	198	7	in	in	ADP
eurjchem-2634	198	8	the	the	DET
eurjchem-2634	198	9	solvents	solvent	NOUN
eurjchem-2634	198	10	.	.	PUNCT
eurjchem-2634	199	1	3.5	3.5	NUM
eurjchem-2634	199	2	.	.	PUNCT
eurjchem-2634	200	1	total	total	ADJ
eurjchem-2634	200	2	partial	partial	ADJ
eurjchem-2634	200	3	and	and	CCONJ
eurjchem-2634	200	4	overlap	overlap	VERB
eurjchem-2634	200	5	population	population	NOUN
eurjchem-2634	200	6	density	density	NOUN
eurjchem-2634	200	7	-	-	PUNCT
eurjchem-2634	200	8	of	of	ADP
eurjchem-2634	200	9	-	-	PUNCT
eurjchem-2634	200	10	states	state	NOUN
eurjchem-2634	200	11	in	in	ADP
eurjchem-2634	200	12	the	the	DET
eurjchem-2634	200	13	fields	field	NOUN
eurjchem-2634	200	14	of	of	ADP
eurjchem-2634	200	15	solid	solid	ADJ
eurjchem-2634	200	16	-	-	PUNCT
eurjchem-2634	200	17	state	state	NOUN
eurjchem-2634	200	18	physics	physics	NOUN
eurjchem-2634	200	19	and	and	CCONJ
eurjchem-2634	200	20	condensed	condense	VERB
eurjchem-2634	200	21	matter	matter	NOUN
eurjchem-2634	200	22	physics	physic	NOUN
eurjchem-2634	200	23	,	,	PUNCT
eurjchem-2634	200	24	the	the	DET
eurjchem-2634	200	25	density	density	NOUN
eurjchem-2634	200	26	of	of	ADP
eurjchem-2634	200	27	states	state	NOUN
eurjchem-2634	200	28	(	(	PUNCT
eurjchem-2634	200	29	dos	do	NOUN
eurjchem-2634	200	30	)	)	PUNCT
eurjchem-2634	200	31	provides	provide	VERB
eurjchem-2634	200	32	information	information	NOUN
eurjchem-2634	200	33	about	about	ADP
eurjchem-2634	200	34	the	the	DET
eurjchem-2634	200	35	distribution	distribution	NOUN
eurjchem-2634	200	36	of	of	ADP
eurjchem-2634	200	37	states	state	NOUN
eurjchem-2634	200	38	that	that	PRON
eurjchem-2634	200	39	can	can	AUX
eurjchem-2634	200	40	be	be	AUX
eurjchem-2634	200	41	held	hold	VERB
eurjchem-2634	200	42	by	by	ADP
eurjchem-2634	200	43	a	a	DET
eurjchem-2634	200	44	system	system	NOUN
eurjchem-2634	200	45	at	at	ADP
eurjchem-2634	200	46	different	different	ADJ
eurjchem-2634	200	47	energy	energy	NOUN
eurjchem-2634	200	48	levels	level	NOUN
eurjchem-2634	200	49	[	[	X
eurjchem-2634	200	50	36	36	NUM
eurjchem-2634	200	51	]	]	PUNCT
eurjchem-2634	200	52	.	.	PUNCT
eurjchem-2634	201	1	the	the	DET
eurjchem-2634	201	2	related	relate	VERB
eurjchem-2634	201	3	graphs	graph	NOUN
eurjchem-2634	201	4	in	in	ADP
eurjchem-2634	201	5	figure	figure	NOUN
eurjchem-2634	201	6	5	5	NUM
eurjchem-2634	201	7	were	be	AUX
eurjchem-2634	201	8	critical	critical	ADJ
eurjchem-2634	201	9	tools	tool	NOUN
eurjchem-2634	201	10	for	for	ADP
eurjchem-2634	201	11	describing	describe	VERB
eurjchem-2634	201	12	the	the	DET
eurjchem-2634	201	13	full	full	ADJ
eurjchem-2634	201	14	orbitals	orbital	NOUN
eurjchem-2634	201	15	of	of	ADP
eurjchem-2634	201	16	the	the	DET
eurjchem-2634	201	17	system	system	NOUN
eurjchem-2634	201	18	using	use	VERB
eurjchem-2634	201	19	total	total	ADJ
eurjchem-2634	201	20	density	density	NOUN
eurjchem-2634	201	21	of	of	ADP
eurjchem-2634	201	22	states	state	NOUN
eurjchem-2634	201	23	(	(	PUNCT
eurjchem-2634	201	24	tdos	tdo	NOUN
eurjchem-2634	201	25	)	)	PUNCT
eurjchem-2634	201	26	,	,	PUNCT
eurjchem-2634	201	27	which	which	PRON
eurjchem-2634	201	28	comprises	comprise	VERB
eurjchem-2634	201	29	the	the	DET
eurjchem-2634	201	30	whole	whole	ADJ
eurjchem-2634	201	31	system	system	NOUN
eurjchem-2634	201	32	with	with	ADP
eurjchem-2634	201	33	the	the	DET
eurjchem-2634	201	34	help	help	NOUN
eurjchem-2634	201	35	of	of	ADP
eurjchem-2634	201	36	partial	partial	ADJ
eurjchem-2634	201	37	pdos	pdo	NOUN
eurjchem-2634	201	38	.	.	PUNCT
eurjchem-2634	202	1	furthermore	furthermore	ADV
eurjchem-2634	202	2	,	,	PUNCT
eurjchem-2634	202	3	research	research	NOUN
eurjchem-2634	202	4	on	on	ADP
eurjchem-2634	202	5	the	the	DET
eurjchem-2634	202	6	character	character	NOUN
eurjchem-2634	202	7	of	of	ADP
eurjchem-2634	202	8	chemical	chemical	ADJ
eurjchem-2634	202	9	bonds	bond	NOUN
eurjchem-2634	202	10	was	be	AUX
eurjchem-2634	202	11	conducted	conduct	VERB
eurjchem-2634	202	12	using	use	VERB
eurjchem-2634	202	13	densityof	densityof	NOUN
eurjchem-2634	202	14	-	-	PUNCT
eurjchem-2634	202	15	states	state	NOUN
eurjchem-2634	202	16	superposition	superposition	NOUN
eurjchem-2634	202	17	(	(	PUNCT
eurjchem-2634	202	18	opdos	opdo	NOUN
eurjchem-2634	202	19	)	)	PUNCT
eurjchem-2634	202	20	diagrams	diagram	NOUN
eurjchem-2634	202	21	,	,	PUNCT
eurjchem-2634	202	22	the	the	DET
eurjchem-2634	202	23	sign	sign	NOUN
eurjchem-2634	202	24	of	of	ADP
eurjchem-2634	202	25	the	the	DET
eurjchem-2634	202	26	opdos	opdo	NOUN
eurjchem-2634	202	27	value	value	NOUN
eurjchem-2634	202	28	being	be	AUX
eurjchem-2634	202	29	significant	significant	ADJ
eurjchem-2634	202	30	for	for	ADP
eurjchem-2634	202	31	discovering	discover	VERB
eurjchem-2634	202	32	the	the	DET
eurjchem-2634	202	33	type	type	NOUN
eurjchem-2634	202	34	of	of	ADP
eurjchem-2634	202	35	contacts	contact	NOUN
eurjchem-2634	202	36	between	between	ADP
eurjchem-2634	202	37	orbitals	orbital	NOUN
eurjchem-2634	202	38	,	,	PUNCT
eurjchem-2634	202	39	atomic	atomic	ADJ
eurjchem-2634	202	40	groups	group	NOUN
eurjchem-2634	202	41	,	,	PUNCT
eurjchem-2634	202	42	or	or	CCONJ
eurjchem-2634	202	43	atoms	atom	NOUN
eurjchem-2634	202	44	[	[	X
eurjchem-2634	202	45	37	37	NUM
eurjchem-2634	202	46	]	]	PUNCT
eurjchem-2634	202	47	.	.	PUNCT
eurjchem-2634	203	1	the	the	DET
eurjchem-2634	203	2	highest	high	ADJ
eurjchem-2634	203	3	occupied	occupy	VERB
eurjchem-2634	203	4	molecular	molecular	ADJ
eurjchem-2634	203	5	orbital	orbital	ADJ
eurjchem-2634	203	6	(	(	PUNCT
eurjchem-2634	203	7	homo	homo	NOUN
eurjchem-2634	203	8	)	)	PUNCT
eurjchem-2634	203	9	in	in	ADP
eurjchem-2634	203	10	this	this	DET
eurjchem-2634	203	11	figure	figure	NOUN
eurjchem-2634	203	12	is	be	AUX
eurjchem-2634	203	13	represented	represent	VERB
eurjchem-2634	203	14	by	by	ADP
eurjchem-2634	203	15	the	the	DET
eurjchem-2634	203	16	vertical	vertical	ADJ
eurjchem-2634	203	17	dashed	dash	VERB
eurjchem-2634	203	18	line	line	NOUN
eurjchem-2634	203	19	,	,	PUNCT
eurjchem-2634	203	20	which	which	PRON
eurjchem-2634	203	21	has	have	VERB
eurjchem-2634	203	22	an	an	DET
eurjchem-2634	203	23	energy	energy	NOUN
eurjchem-2634	203	24	range	range	NOUN
eurjchem-2634	203	25	of	of	ADP
eurjchem-2634	203	26	0.20	0.20	NUM
eurjchem-2634	203	27	to	to	ADP
eurjchem-2634	203	28	0.30	0.30	NUM
eurjchem-2634	203	29	a.u	a.u	PROPN
eurjchem-2634	203	30	.	.	PROPN
eurjchem-2634	203	31	ceyhun	ceyhun	PROPN
eurjchem-2634	203	32	kucuk	kucuk	PROPN
eurjchem-2634	203	33	/	/	SYM
eurjchem-2634	203	34	european	european	PROPN
eurjchem-2634	203	35	journal	journal	PROPN
eurjchem-2634	203	36	of	of	ADP
eurjchem-2634	203	37	chemistry	chemistry	NOUN
eurjchem-2634	203	38	16	16	NUM
eurjchem-2634	203	39	(	(	PUNCT
eurjchem-2634	203	40	1	1	NUM
eurjchem-2634	203	41	)	)	PUNCT
eurjchem-2634	203	42	(	(	PUNCT
eurjchem-2634	203	43	2025	2025	NUM
eurjchem-2634	203	44	)	)	PUNCT
eurjchem-2634	203	45	70	70	NUM
eurjchem-2634	203	46	-	-	SYM
eurjchem-2634	203	47	82	82	NUM
eurjchem-2634	203	48	75	75	NUM
eurjchem-2634	203	49	2025	2025	NUM
eurjchem-2634	203	50	–	–	PUNCT
eurjchem-2634	203	51	european	european	ADJ
eurjchem-2634	203	52	journal	journal	NOUN
eurjchem-2634	203	53	of	of	ADP
eurjchem-2634	203	54	chemistry	chemistry	NOUN
eurjchem-2634	203	55	–	–	PUNCT
eurjchem-2634	203	56	cc	cc	NOUN
eurjchem-2634	203	57	by	by	ADP
eurjchem-2634	203	58	nc	nc	PROPN
eurjchem-2634	203	59	–	–	PUNCT
eurjchem-2634	203	60	doi	doi	NOUN
eurjchem-2634	203	61	:	:	PUNCT
eurjchem-2634	203	62	10.5155	10.5155	NUM
eurjchem-2634	203	63	/	/	SYM
eurjchem-2634	203	64	eurjchem.16.1.70	eurjchem.16.1.70	SYM
eurjchem-2634	203	65	-	-	PUNCT
eurjchem-2634	203	66	82.2634	82.2634	NUM
eurjchem-2634	203	67	table	table	NOUN
eurjchem-2634	203	68	5	5	NUM
eurjchem-2634	203	69	.	.	PUNCT
eurjchem-2634	204	1	theoretical	theoretical	ADJ
eurjchem-2634	204	2	uv	uv	NOUN
eurjchem-2634	204	3	-	-	PUNCT
eurjchem-2634	204	4	vis	vis	X
eurjchem-2634	204	5	parameters	parameter	NOUN
eurjchem-2634	204	6	of	of	ADP
eurjchem-2634	204	7	the	the	DET
eurjchem-2634	204	8	5,7	5,7	NUM
eurjchem-2634	204	9	-	-	PUNCT
eurjchem-2634	204	10	dichloro-8	dichloro-8	VERB
eurjchem-2634	204	11	-	-	PUNCT
eurjchem-2634	204	12	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	204	13	-	-	PUNCT
eurjchem-2634	204	14	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	204	15	molecule	molecule	NOUN
eurjchem-2634	204	16	.	.	PUNCT
eurjchem-2634	205	1	solvent	solvent	ADJ
eurjchem-2634	205	2	theoretical	theoretical	ADJ
eurjchem-2634	205	3	λ	λ	PROPN
eurjchem-2634	205	4	(	(	PUNCT
eurjchem-2634	205	5	nm	nm	NOUN
eurjchem-2634	205	6	)	)	PUNCT
eurjchem-2634	205	7	e	e	NOUN
eurjchem-2634	205	8	(	(	PUNCT
eurjchem-2634	205	9	ev	ev	INTJ
eurjchem-2634	205	10	)	)	PUNCT
eurjchem-2634	205	11	f	f	PROPN
eurjchem-2634	205	12	symmetry	symmetry	NOUN
eurjchem-2634	205	13	major	major	ADJ
eurjchem-2634	205	14	contributions	contribution	NOUN
eurjchem-2634	205	15	ethanol	ethanol	VERB
eurjchem-2634	205	16	221	221	NUM
eurjchem-2634	205	17	5.614	5.614	NUM
eurjchem-2634	205	18	0.6413	0.6413	NUM
eurjchem-2634	205	19	singlet	singlet	NOUN
eurjchem-2634	205	20	-	-	PUNCT
eurjchem-2634	205	21	a	a	DET
eurjchem-2634	205	22	homo-2	homo-2	NUM
eurjchem-2634	205	23	→	→	SYM
eurjchem-2634	205	24	lumo+1	lumo+1	PROPN
eurjchem-2634	205	25	homo	homo	NOUN
eurjchem-2634	205	26	→	→	SYM
eurjchem-2634	205	27	lumo+2	lumo+2	PROPN
eurjchem-2634	205	28	273	273	NUM
eurjchem-2634	205	29	4.541	4.541	NUM
eurjchem-2634	205	30	0.815	0.815	NUM
eurjchem-2634	205	31	singlet	singlet	NOUN
eurjchem-2634	205	32	-	-	PUNCT
eurjchem-2634	205	33	a	a	DET
eurjchem-2634	205	34	homo-2	homo-2	NUM
eurjchem-2634	205	35	→	→	SYM
eurjchem-2634	205	36	lumo	lumo	ADJ
eurjchem-2634	205	37	homo	homo	NOUN
eurjchem-2634	205	38	→	→	PUNCT
eurjchem-2634	205	39	lumo+1	lumo+1	PROPN
eurjchem-2634	205	40	395	395	NUM
eurjchem-2634	205	41	3.143	3.143	NUM
eurjchem-2634	205	42	0.696	0.696	NUM
eurjchem-2634	205	43	singlet	singlet	NOUN
eurjchem-2634	205	44	-	-	PUNCT
eurjchem-2634	205	45	a	a	DET
eurjchem-2634	205	46	homo	homo	NOUN
eurjchem-2634	205	47	→	→	SYM
eurjchem-2634	205	48	lumo	lumo	NOUN
eurjchem-2634	205	49	dmso	dmso	NOUN
eurjchem-2634	205	50	221	221	NUM
eurjchem-2634	205	51	5.603	5.603	NUM
eurjchem-2634	205	52	0.6531	0.6531	NUM
eurjchem-2634	205	53	singlet	singlet	NOUN
eurjchem-2634	205	54	-	-	PUNCT
eurjchem-2634	205	55	a	a	DET
eurjchem-2634	205	56	homo-1	homo-1	PROPN
eurjchem-2634	205	57	→	→	SYM
eurjchem-2634	205	58	lumo+1	lumo+1	PROPN
eurjchem-2634	205	59	homo	homo	NOUN
eurjchem-2634	205	60	→	→	SYM
eurjchem-2634	205	61	lumo+2	lumo+2	PROPN
eurjchem-2634	205	62	273	273	NUM
eurjchem-2634	205	63	4.526	4.526	NUM
eurjchem-2634	205	64	0.8354	0.8354	NUM
eurjchem-2634	205	65	singlet	singlet	NOUN
eurjchem-2634	205	66	-	-	PUNCT
eurjchem-2634	205	67	a	a	DET
eurjchem-2634	205	68	homo-1	homo-1	PROPN
eurjchem-2634	205	69	→	→	SYM
eurjchem-2634	205	70	lumo	lumo	ADJ
eurjchem-2634	205	71	homo	homo	NOUN
eurjchem-2634	205	72	→	→	PUNCT
eurjchem-2634	205	73	lumo+1	lumo+1	PROPN
eurjchem-2634	205	74	395	395	NUM
eurjchem-2634	205	75	3.136	3.136	NUM
eurjchem-2634	205	76	0.0702	0.0702	NUM
eurjchem-2634	205	77	singlet	singlet	NOUN
eurjchem-2634	205	78	-	-	PUNCT
eurjchem-2634	205	79	a	a	DET
eurjchem-2634	205	80	homo	homo	NOUN
eurjchem-2634	205	81	→	→	SYM
eurjchem-2634	205	82	lumo	lumo	NOUN
eurjchem-2634	205	83	water	water	NOUN
eurjchem-2634	205	84	221	221	NUM
eurjchem-2634	205	85	5.619	5.619	NUM
eurjchem-2634	205	86	0.6358	0.6358	NUM
eurjchem-2634	205	87	singlet	singlet	NOUN
eurjchem-2634	205	88	-	-	PUNCT
eurjchem-2634	205	89	a	a	DET
eurjchem-2634	205	90	homo-1	homo-1	PROPN
eurjchem-2634	205	91	→	→	SYM
eurjchem-2634	205	92	lumo+1	lumo+1	PROPN
eurjchem-2634	205	93	homo	homo	NOUN
eurjchem-2634	205	94	→	→	SYM
eurjchem-2634	205	95	lumo	lumo	NOUN
eurjchem-2634	205	96	273	273	NUM
eurjchem-2634	205	97	4.542	4.542	NUM
eurjchem-2634	205	98	0.8037	0.8037	NUM
eurjchem-2634	205	99	singlet	singlet	NOUN
eurjchem-2634	205	100	-	-	PUNCT
eurjchem-2634	205	101	a	a	DET
eurjchem-2634	205	102	homo-1	homo-1	PROPN
eurjchem-2634	205	103	→	→	SYM
eurjchem-2634	205	104	lumo	lumo	ADJ
eurjchem-2634	205	105	homo	homo	NOUN
eurjchem-2634	205	106	→	→	PUNCT
eurjchem-2634	205	107	lumo+1	lumo+1	PROPN
eurjchem-2634	205	108	395	395	NUM
eurjchem-2634	205	109	3.138	3.138	NUM
eurjchem-2634	205	110	0.0665	0.0665	NUM
eurjchem-2634	205	111	singlet	singlet	NOUN
eurjchem-2634	205	112	-	-	PUNCT
eurjchem-2634	205	113	a	a	DET
eurjchem-2634	205	114	homo	homo	NOUN
eurjchem-2634	205	115	→	→	SYM
eurjchem-2634	205	116	lumo	lumo	NOUN
eurjchem-2634	205	117	(	(	PUNCT
eurjchem-2634	205	118	a	a	NOUN
eurjchem-2634	205	119	)	)	PUNCT
eurjchem-2634	205	120	egap	egap	NOUN
eurjchem-2634	205	121	=	=	SYM
eurjchem-2634	205	122	3.83	3.83	NUM
eurjchem-2634	205	123	ev	ev	X
eurjchem-2634	205	124	(	(	PUNCT
eurjchem-2634	205	125	b	b	NOUN
eurjchem-2634	205	126	)	)	PUNCT
eurjchem-2634	205	127	egap	egap	NOUN
eurjchem-2634	205	128	=	=	SYM
eurjchem-2634	205	129	3.58	3.58	NUM
eurjchem-2634	205	130	ev	ev	X
eurjchem-2634	205	131	(	(	PUNCT
eurjchem-2634	205	132	c	c	NOUN
eurjchem-2634	205	133	)	)	PUNCT
eurjchem-2634	205	134	egap	egap	NOUN
eurjchem-2634	205	135	=	=	SYM
eurjchem-2634	205	136	3.58	3.58	NUM
eurjchem-2634	205	137	ev	ev	X
eurjchem-2634	205	138	(	(	PUNCT
eurjchem-2634	205	139	d	d	NOUN
eurjchem-2634	205	140	)	)	PUNCT
eurjchem-2634	205	141	egap	egap	NOUN
eurjchem-2634	205	142	=	=	SYM
eurjchem-2634	205	143	3.58	3.58	NUM
eurjchem-2634	205	144	ev	ev	NOUN
eurjchem-2634	205	145	figure	figure	NOUN
eurjchem-2634	205	146	4	4	NUM
eurjchem-2634	205	147	.	.	PUNCT
eurjchem-2634	205	148	description	description	NOUN
eurjchem-2634	205	149	of	of	ADP
eurjchem-2634	205	150	the	the	DET
eurjchem-2634	205	151	electron	electron	NOUN
eurjchem-2634	205	152	transition	transition	NOUN
eurjchem-2634	205	153	from	from	ADP
eurjchem-2634	205	154	the	the	DET
eurjchem-2634	205	155	homo	homo	NOUN
eurjchem-2634	205	156	orbital	orbital	NOUN
eurjchem-2634	205	157	to	to	ADP
eurjchem-2634	205	158	the	the	DET
eurjchem-2634	205	159	lumo	lumo	ADJ
eurjchem-2634	205	160	orbital	orbital	NOUN
eurjchem-2634	205	161	of	of	ADP
eurjchem-2634	205	162	the	the	DET
eurjchem-2634	205	163	5,7	5,7	NUM
eurjchem-2634	205	164	-	-	PUNCT
eurjchem-2634	205	165	dichloro-8	dichloro-8	VERB
eurjchem-2634	205	166	-	-	PUNCT
eurjchem-2634	205	167	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	205	168	-	-	PUNCT
eurjchem-2634	205	169	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	205	170	molecule	molecule	NOUN
eurjchem-2634	205	171	.	.	PUNCT
eurjchem-2634	206	1	(	(	PUNCT
eurjchem-2634	206	2	a	a	X
eurjchem-2634	206	3	)	)	PUNCT
eurjchem-2634	206	4	gas	gas	NOUN
eurjchem-2634	206	5	phase	phase	NOUN
eurjchem-2634	206	6	,	,	PUNCT
eurjchem-2634	206	7	(	(	PUNCT
eurjchem-2634	206	8	b	b	NOUN
eurjchem-2634	206	9	)	)	PUNCT
eurjchem-2634	206	10	ethanol	ethanol	NOUN
eurjchem-2634	206	11	,	,	PUNCT
eurjchem-2634	206	12	(	(	PUNCT
eurjchem-2634	206	13	c	c	NOUN
eurjchem-2634	206	14	)	)	PUNCT
eurjchem-2634	206	15	dmso	dmso	NOUN
eurjchem-2634	206	16	)	)	PUNCT
eurjchem-2634	206	17	,	,	PUNCT
eurjchem-2634	206	18	(	(	PUNCT
eurjchem-2634	206	19	d	d	X
eurjchem-2634	206	20	)	)	PUNCT
eurjchem-2634	206	21	water	water	NOUN
eurjchem-2634	206	22	.	.	PUNCT
eurjchem-2634	207	1	the	the	DET
eurjchem-2634	207	2	dos	dos	NOUN
eurjchem-2634	207	3	plot	plot	NOUN
eurjchem-2634	207	4	is	be	AUX
eurjchem-2634	207	5	compatible	compatible	ADJ
eurjchem-2634	207	6	with	with	ADP
eurjchem-2634	207	7	the	the	DET
eurjchem-2634	207	8	fmo	fmo	NOUN
eurjchem-2634	207	9	's	's	PART
eurjchem-2634	207	10	homo	homo	NOUN
eurjchem-2634	207	11	and	and	CCONJ
eurjchem-2634	207	12	lumo	lumo	NOUN
eurjchem-2634	207	13	energy	energy	NOUN
eurjchem-2634	207	14	differences	difference	NOUN
eurjchem-2634	207	15	.	.	PUNCT
eurjchem-2634	208	1	both	both	PRON
eurjchem-2634	208	2	bonding	bond	VERB
eurjchem-2634	208	3	and	and	CCONJ
eurjchem-2634	208	4	antibonding	antibonde	VERB
eurjchem-2634	208	5	interactions	interaction	NOUN
eurjchem-2634	208	6	are	be	AUX
eurjchem-2634	208	7	present	present	ADJ
eurjchem-2634	208	8	in	in	ADP
eurjchem-2634	208	9	the	the	DET
eurjchem-2634	208	10	homo	homo	NOUN
eurjchem-2634	208	11	molecular	molecular	NOUN
eurjchem-2634	208	12	;	;	PUNCT
eurjchem-2634	208	13	the	the	DET
eurjchem-2634	208	14	pdos	pdo	NOUN
eurjchem-2634	208	15	spectra	spectra	NOUN
eurjchem-2634	208	16	's	's	PART
eurjchem-2634	208	17	molecular	molecular	ADJ
eurjchem-2634	208	18	orbital	orbital	NOUN
eurjchem-2634	208	19	demonstrates	demonstrate	VERB
eurjchem-2634	208	20	that	that	SCONJ
eurjchem-2634	208	21	the	the	DET
eurjchem-2634	208	22	pyridine	pyridine	ADJ
eurjchem-2634	208	23	benzene	benzene	NOUN
eurjchem-2634	208	24	ring	ring	NOUN
eurjchem-2634	208	25	fragment	fragment	NOUN
eurjchem-2634	208	26	's	's	PART
eurjchem-2634	208	27	orbital	orbital	ADJ
eurjchem-2634	208	28	contribution	contribution	NOUN
eurjchem-2634	208	29	was	be	AUX
eurjchem-2634	208	30	greater	great	ADJ
eurjchem-2634	208	31	than	than	ADP
eurjchem-2634	208	32	that	that	PRON
eurjchem-2634	208	33	of	of	ADP
eurjchem-2634	208	34	the	the	DET
eurjchem-2634	208	35	pyridine	pyridine	NOUN
eurjchem-2634	208	36	ring	ring	NOUN
eurjchem-2634	208	37	and	and	CCONJ
eurjchem-2634	208	38	carbaldehyde	carbaldehyde	PROPN
eurjchem-2634	208	39	group	group	NOUN
eurjchem-2634	208	40	fragments	fragment	NOUN
eurjchem-2634	208	41	.	.	PUNCT
eurjchem-2634	209	1	however	however	ADV
eurjchem-2634	209	2	,	,	PUNCT
eurjchem-2634	209	3	the	the	DET
eurjchem-2634	209	4	lumo	lumo	ADJ
eurjchem-2634	209	5	molecular	molecular	ADJ
eurjchem-2634	209	6	orbitals	orbital	NOUN
eurjchem-2634	209	7	with	with	ADP
eurjchem-2634	209	8	antibonding	antibonde	VERB
eurjchem-2634	209	9	interactions	interaction	NOUN
eurjchem-2634	209	10	are	be	AUX
eurjchem-2634	209	11	the	the	DET
eurjchem-2634	209	12	most	most	ADV
eurjchem-2634	209	13	dominant	dominant	ADJ
eurjchem-2634	209	14	in	in	ADP
eurjchem-2634	209	15	the	the	DET
eurjchem-2634	209	16	pdos	pdo	NOUN
eurjchem-2634	209	17	spectra	spectra	NOUN
eurjchem-2634	209	18	of	of	ADP
eurjchem-2634	209	19	the	the	DET
eurjchem-2634	209	20	pyridine	pyridine	NOUN
eurjchem-2634	209	21	ring	ring	NOUN
eurjchem-2634	209	22	.	.	PUNCT
eurjchem-2634	210	1	3.6	3.6	NUM
eurjchem-2634	210	2	.	.	PUNCT
eurjchem-2634	211	1	uv	uv	NOUN
eurjchem-2634	211	2	-	-	PUNCT
eurjchem-2634	211	3	vis	vis	X
eurjchem-2634	211	4	analysis	analysis	NOUN
eurjchem-2634	211	5	the	the	DET
eurjchem-2634	211	6	uv	uv	NOUN
eurjchem-2634	211	7	-	-	PUNCT
eurjchem-2634	211	8	vis	vis	X
eurjchem-2634	211	9	spectra	spectra	NOUN
eurjchem-2634	211	10	of	of	ADP
eurjchem-2634	211	11	the	the	DET
eurjchem-2634	211	12	title	title	NOUN
eurjchem-2634	211	13	molecule	molecule	NOUN
eurjchem-2634	211	14	were	be	AUX
eurjchem-2634	211	15	calculated	calculate	VERB
eurjchem-2634	211	16	in	in	ADP
eurjchem-2634	211	17	ethanol	ethanol	NOUN
eurjchem-2634	211	18	,	,	PUNCT
eurjchem-2634	211	19	dimethylsulfoxide	dimethylsulfoxide	ADV
eurjchem-2634	211	20	(	(	PUNCT
eurjchem-2634	211	21	dmso	dmso	NOUN
eurjchem-2634	211	22	)	)	PUNCT
eurjchem-2634	211	23	,	,	PUNCT
eurjchem-2634	211	24	and	and	CCONJ
eurjchem-2634	211	25	water	water	NOUN
eurjchem-2634	211	26	solvents	solvent	NOUN
eurjchem-2634	211	27	.	.	PUNCT
eurjchem-2634	212	1	figure	figure	NOUN
eurjchem-2634	212	2	6	6	NUM
eurjchem-2634	212	3	displays	display	VERB
eurjchem-2634	212	4	the	the	DET
eurjchem-2634	212	5	theoretical	theoretical	ADJ
eurjchem-2634	212	6	uv	uv	NOUN
eurjchem-2634	212	7	-	-	PUNCT
eurjchem-2634	212	8	vis	vis	X
eurjchem-2634	212	9	spectra	spectra	NOUN
eurjchem-2634	212	10	.	.	PUNCT
eurjchem-2634	213	1	additionally	additionally	ADV
eurjchem-2634	213	2	,	,	PUNCT
eurjchem-2634	213	3	table	table	NOUN
eurjchem-2634	213	4	5	5	NUM
eurjchem-2634	213	5	presents	present	VERB
eurjchem-2634	213	6	the	the	DET
eurjchem-2634	213	7	calculated	calculated	ADJ
eurjchem-2634	213	8	maximum	maximum	ADJ
eurjchem-2634	213	9	wavelengths	wavelength	NOUN
eurjchem-2634	213	10	,	,	PUNCT
eurjchem-2634	213	11	excitation	excitation	NOUN
eurjchem-2634	213	12	energy	energy	NOUN
eurjchem-2634	213	13	values	value	NOUN
eurjchem-2634	213	14	,	,	PUNCT
eurjchem-2634	213	15	oscillator	oscillator	NOUN
eurjchem-2634	213	16	strength	strength	NOUN
eurjchem-2634	213	17	,	,	PUNCT
eurjchem-2634	213	18	and	and	CCONJ
eurjchem-2634	213	19	main	main	ADJ
eurjchem-2634	213	20	contribution	contribution	NOUN
eurjchem-2634	213	21	values	value	NOUN
eurjchem-2634	213	22	.	.	PUNCT
eurjchem-2634	214	1	the	the	DET
eurjchem-2634	214	2	experimental	experimental	ADJ
eurjchem-2634	214	3	spectra	spectra	NOUN
eurjchem-2634	214	4	of	of	ADP
eurjchem-2634	214	5	the	the	DET
eurjchem-2634	214	6	free	free	ADJ
eurjchem-2634	214	7	ligand	ligand	NOUN
eurjchem-2634	214	8	exhibited	exhibit	VERB
eurjchem-2634	214	9	wavelengths	wavelength	NOUN
eurjchem-2634	214	10	at	at	ADP
eurjchem-2634	214	11	287	287	NUM
eurjchem-2634	214	12	,	,	PUNCT
eurjchem-2634	214	13	246	246	NUM
eurjchem-2634	214	14	,	,	PUNCT
eurjchem-2634	214	15	and	and	CCONJ
eurjchem-2634	214	16	215	215	NUM
eurjchem-2634	214	17	nm	nm	NOUN
eurjchem-2634	214	18	.	.	PROPN
eurjchem-2634	215	1	76	76	NUM
eurjchem-2634	215	2	ceyhun	ceyhun	NOUN
eurjchem-2634	215	3	kucuk	kucuk	NOUN
eurjchem-2634	215	4	/	/	SYM
eurjchem-2634	215	5	european	european	PROPN
eurjchem-2634	215	6	journal	journal	PROPN
eurjchem-2634	215	7	of	of	ADP
eurjchem-2634	215	8	chemistry	chemistry	NOUN
eurjchem-2634	215	9	16	16	NUM
eurjchem-2634	215	10	(	(	PUNCT
eurjchem-2634	215	11	1	1	NUM
eurjchem-2634	215	12	)	)	PUNCT
eurjchem-2634	215	13	(	(	PUNCT
eurjchem-2634	215	14	2025	2025	NUM
eurjchem-2634	215	15	)	)	PUNCT
eurjchem-2634	215	16	70	70	NUM
eurjchem-2634	215	17	-	-	SYM
eurjchem-2634	215	18	82	82	NUM
eurjchem-2634	215	19	2025	2025	NUM
eurjchem-2634	215	20	–	–	PUNCT
eurjchem-2634	215	21	european	european	ADJ
eurjchem-2634	215	22	journal	journal	NOUN
eurjchem-2634	215	23	of	of	ADP
eurjchem-2634	215	24	chemistry	chemistry	NOUN
eurjchem-2634	215	25	–	–	PUNCT
eurjchem-2634	215	26	cc	cc	NOUN
eurjchem-2634	215	27	by	by	ADP
eurjchem-2634	215	28	nc	nc	PROPN
eurjchem-2634	215	29	–	–	PUNCT
eurjchem-2634	215	30	doi	doi	NOUN
eurjchem-2634	215	31	:	:	PUNCT
eurjchem-2634	215	32	10.5155	10.5155	NUM
eurjchem-2634	215	33	/	/	SYM
eurjchem-2634	215	34	eurjchem.16.1.70	eurjchem.16.1.70	SYM
eurjchem-2634	215	35	-	-	PUNCT
eurjchem-2634	215	36	82.2634	82.2634	NUM
eurjchem-2634	215	37	table	table	NOUN
eurjchem-2634	215	38	6	6	NUM
eurjchem-2634	215	39	.	.	PUNCT
eurjchem-2634	216	1	the	the	DET
eurjchem-2634	216	2	second	second	ADJ
eurjchem-2634	216	3	order	order	NOUN
eurjchem-2634	216	4	perturbation	perturbation	NOUN
eurjchem-2634	216	5	energies	energy	NOUN
eurjchem-2634	216	6	e(2	e(2	NOUN
eurjchem-2634	216	7	)	)	PUNCT
eurjchem-2634	216	8	(	(	PUNCT
eurjchem-2634	216	9	kcal	kcal	NOUN
eurjchem-2634	216	10	/	/	SYM
eurjchem-2634	216	11	mol	mol	NOUN
eurjchem-2634	216	12	)	)	PUNCT
eurjchem-2634	216	13	corresponding	correspond	VERB
eurjchem-2634	216	14	to	to	ADP
eurjchem-2634	216	15	the	the	DET
eurjchem-2634	216	16	most	most	ADV
eurjchem-2634	216	17	important	important	ADJ
eurjchem-2634	216	18	charge	charge	NOUN
eurjchem-2634	216	19	transfer	transfer	NOUN
eurjchem-2634	216	20	interactions	interaction	NOUN
eurjchem-2634	216	21	(	(	PUNCT
eurjchem-2634	216	22	donor	donor	NOUN
eurjchem-2634	216	23	–	–	PUNCT
eurjchem-2634	216	24	acceptor	acceptor	NOUN
eurjchem-2634	216	25	)	)	PUNCT
eurjchem-2634	216	26	in	in	ADP
eurjchem-2634	216	27	the	the	DET
eurjchem-2634	216	28	compound	compound	NOUN
eurjchem-2634	216	29	studied	study	VERB
eurjchem-2634	216	30	by	by	ADP
eurjchem-2634	216	31	the	the	DET
eurjchem-2634	216	32	b3lyp/6	b3lyp/6	PROPN
eurjchem-2634	216	33	-	-	NOUN
eurjchem-2634	216	34	311++g(d	311++g(d	PROPN
eurjchem-2634	216	35	,	,	PUNCT
eurjchem-2634	216	36	p	p	NOUN
eurjchem-2634	216	37	)	)	PUNCT
eurjchem-2634	216	38	method	method	NOUN
eurjchem-2634	216	39	in	in	ADP
eurjchem-2634	216	40	gas	gas	NOUN
eurjchem-2634	216	41	phase	phase	NOUN
eurjchem-2634	216	42	.	.	PUNCT
eurjchem-2634	217	1	donor	donor	PROPN
eurjchem-2634	217	2	nbo	nbo	PROPN
eurjchem-2634	217	3	(	(	PUNCT
eurjchem-2634	217	4	i	i	NOUN
eurjchem-2634	217	5	)	)	PUNCT
eurjchem-2634	217	6	a	a	DET
eurjchem-2634	217	7	acceptor	acceptor	NOUN
eurjchem-2634	217	8	nbo	nbo	PROPN
eurjchem-2634	217	9	(	(	PUNCT
eurjchem-2634	217	10	j	j	NOUN
eurjchem-2634	217	11	)	)	PUNCT
eurjchem-2634	217	12	e(2	e(2	PROPN
eurjchem-2634	217	13	)	)	PUNCT
eurjchem-2634	217	14	(	(	PUNCT
eurjchem-2634	217	15	kcal	kcal	NOUN
eurjchem-2634	217	16	/	/	SYM
eurjchem-2634	217	17	mol	mol	PROPN
eurjchem-2634	217	18	)	)	PUNCT
eurjchem-2634	217	19	b	b	PROPN
eurjchem-2634	217	20	εjεi	εjεi	NOUN
eurjchem-2634	217	21	(	(	PUNCT
eurjchem-2634	217	22	a.u	a.u	PROPN
eurjchem-2634	217	23	.	.	PUNCT
eurjchem-2634	217	24	)	)	PUNCT
eurjchem-2634	218	1	c	c	PROPN
eurjchem-2634	219	1	f(i	f(i	PROPN
eurjchem-2634	219	2	,	,	PUNCT
eurjchem-2634	219	3	j	j	NOUN
eurjchem-2634	219	4	)	)	PUNCT
eurjchem-2634	219	5	(	(	PUNCT
eurjchem-2634	219	6	a.u	a.u	PROPN
eurjchem-2634	219	7	.	.	PROPN
eurjchem-2634	219	8	)	)	PUNCT
eurjchem-2634	220	1	d	d	PRON
eurjchem-2634	220	2	π(n5	π(n5	NOUN
eurjchem-2634	220	3	-	-	PUNCT
eurjchem-2634	220	4	c14	c14	NOUN
eurjchem-2634	220	5	)	)	PUNCT
eurjchem-2634	220	6	π*(o4	π*(o4	NOUN
eurjchem-2634	220	7	-	-	PUNCT
eurjchem-2634	220	8	c15	c15	NOUN
eurjchem-2634	220	9	)	)	PUNCT
eurjchem-2634	220	10	12.81	12.81	NUM
eurjchem-2634	220	11	0.33	0.33	NUM
eurjchem-2634	220	12	0.061	0.061	NUM
eurjchem-2634	220	13	π*(c6	π*(c6	PROPN
eurjchem-2634	220	14	-	-	PUNCT
eurjchem-2634	220	15	c7	c7	PROPN
eurjchem-2634	220	16	)	)	PUNCT
eurjchem-2634	220	17	20.19	20.19	NUM
eurjchem-2634	220	18	0.32	0.32	NUM
eurjchem-2634	220	19	0.076	0.076	NUM
eurjchem-2634	220	20	π*(c10	π*(c10	PROPN
eurjchem-2634	220	21	-	-	PUNCT
eurjchem-2634	220	22	c13	c13	NOUN
eurjchem-2634	220	23	)	)	PUNCT
eurjchem-2634	220	24	11.38	11.38	NUM
eurjchem-2634	220	25	0.34	0.34	NUM
eurjchem-2634	220	26	0.056	0.056	NUM
eurjchem-2634	220	27	π(c6	π(c6	PROPN
eurjchem-2634	220	28	-	-	PUNCT
eurjchem-2634	220	29	c7	c7	NOUN
eurjchem-2634	220	30	)	)	PUNCT
eurjchem-2634	220	31	π*(n5	π*(n5	NOUN
eurjchem-2634	220	32	-	-	PUNCT
eurjchem-2634	220	33	c14	c14	NOUN
eurjchem-2634	220	34	)	)	PUNCT
eurjchem-2634	220	35	16.90	16.90	NUM
eurjchem-2634	220	36	0.27	0.27	NUM
eurjchem-2634	220	37	0.062	0.062	NUM
eurjchem-2634	220	38	π*(c8	π*(c8	NOUN
eurjchem-2634	220	39	-	-	PUNCT
eurjchem-2634	220	40	c11	c11	NOUN
eurjchem-2634	220	41	)	)	PUNCT
eurjchem-2634	220	42	19.06	19.06	NUM
eurjchem-2634	220	43	0.26	0.26	NUM
eurjchem-2634	220	44	0.064	0.064	NUM
eurjchem-2634	220	45	π*(c9	π*(c9	PROPN
eurjchem-2634	220	46	-	-	PUNCT
eurjchem-2634	220	47	c12	c12	NOUN
eurjchem-2634	220	48	)	)	PUNCT
eurjchem-2634	220	49	16.58	16.58	NUM
eurjchem-2634	220	50	0.27	0.27	NUM
eurjchem-2634	220	51	0.062	0.062	NUM
eurjchem-2634	220	52	π*(c10	π*(c10	PROPN
eurjchem-2634	220	53	-	-	PUNCT
eurjchem-2634	220	54	c13	c13	NOUN
eurjchem-2634	220	55	)	)	PUNCT
eurjchem-2634	220	56	15.73	15.73	NUM
eurjchem-2634	220	57	0.29	0.29	NUM
eurjchem-2634	220	58	0.064	0.064	NUM
eurjchem-2634	220	59	π(c8	π(c8	NOUN
eurjchem-2634	220	60	-	-	PUNCT
eurjchem-2634	220	61	c11	c11	NOUN
eurjchem-2634	220	62	)	)	PUNCT
eurjchem-2634	220	63	π*(c6	π*(c6	PROPN
eurjchem-2634	220	64	-	-	PUNCT
eurjchem-2634	220	65	c7	c7	PROPN
eurjchem-2634	220	66	)	)	PUNCT
eurjchem-2634	220	67	12.66	12.66	NUM
eurjchem-2634	220	68	0.31	0.31	NUM
eurjchem-2634	220	69	0.058	0.058	NUM
eurjchem-2634	220	70	π*(c9	π*(c9	PROPN
eurjchem-2634	220	71	-	-	PUNCT
eurjchem-2634	220	72	c12	c12	NOUN
eurjchem-2634	220	73	)	)	PUNCT
eurjchem-2634	220	74	20.56	20.56	NUM
eurjchem-2634	220	75	0.30	0.30	NUM
eurjchem-2634	220	76	0.072	0.072	NUM
eurjchem-2634	220	77	π(c9	π(c9	PROPN
eurjchem-2634	220	78	-	-	PUNCT
eurjchem-2634	220	79	c12	c12	NOUN
eurjchem-2634	220	80	)	)	PUNCT
eurjchem-2634	220	81	π*(c6	π*(c6	PROPN
eurjchem-2634	220	82	-	-	PUNCT
eurjchem-2634	220	83	c7	c7	PROPN
eurjchem-2634	220	84	)	)	PUNCT
eurjchem-2634	220	85	16.81	16.81	NUM
eurjchem-2634	220	86	0.30	0.30	NUM
eurjchem-2634	220	87	0.067	0.067	NUM
eurjchem-2634	220	88	π*(c8	π*(c8	NOUN
eurjchem-2634	220	89	-	-	PUNCT
eurjchem-2634	220	90	c11	c11	NOUN
eurjchem-2634	220	91	)	)	PUNCT
eurjchem-2634	220	92	13.99	13.99	NUM
eurjchem-2634	220	93	0.29	0.29	NUM
eurjchem-2634	220	94	0.059	0.059	NUM
eurjchem-2634	220	95	π(c10	π(c10	NUM
eurjchem-2634	220	96	-	-	PUNCT
eurjchem-2634	220	97	c13	c13	NOUN
eurjchem-2634	220	98	)	)	PUNCT
eurjchem-2634	220	99	π*(n5	π*(n5	NOUN
eurjchem-2634	220	100	-	-	PUNCT
eurjchem-2634	220	101	c14	c14	NOUN
eurjchem-2634	220	102	)	)	PUNCT
eurjchem-2634	220	103	23.72	23.72	NUM
eurjchem-2634	220	104	0.28	0.28	NUM
eurjchem-2634	220	105	0.073	0.073	NUM
eurjchem-2634	220	106	π*(c6	π*(c6	PROPN
eurjchem-2634	220	107	-	-	PUNCT
eurjchem-2634	220	108	c7	c7	PROPN
eurjchem-2634	220	109	)	)	PUNCT
eurjchem-2634	220	110	17.07	17.07	NUM
eurjchem-2634	220	111	0.28	0.28	NUM
eurjchem-2634	220	112	0.065	0.065	NUM
eurjchem-2634	220	113	lp(3)cl	lp(3)cl	NOUN
eurjchem-2634	220	114	π*(c9	π*(c9	NOUN
eurjchem-2634	220	115	-	-	PUNCT
eurjchem-2634	220	116	c12	c12	NOUN
eurjchem-2634	220	117	)	)	PUNCT
eurjchem-2634	220	118	12.60	12.60	NUM
eurjchem-2634	220	119	0.33	0.33	NUM
eurjchem-2634	220	120	0.061	0.061	NUM
eurjchem-2634	220	121	π*(c8	π*(c8	NOUN
eurjchem-2634	220	122	-	-	PUNCT
eurjchem-2634	220	123	c11	c11	NOUN
eurjchem-2634	220	124	)	)	PUNCT
eurjchem-2634	220	125	11.45	11.45	NUM
eurjchem-2634	220	126	0.33	0.33	NUM
eurjchem-2634	220	127	0.060	0.060	NUM
eurjchem-2634	220	128	lp(2)o3	lp(2)o3	NUM
eurjchem-2634	220	129	ry*(h20	ry*(h20	NOUN
eurjchem-2634	220	130	)	)	PUNCT
eurjchem-2634	220	131	42.92	42.92	NUM
eurjchem-2634	220	132	0.44	0.44	NUM
eurjchem-2634	220	133	0.127	0.127	NUM
eurjchem-2634	220	134	π*(c8	π*(c8	NOUN
eurjchem-2634	220	135	-	-	PUNCT
eurjchem-2634	220	136	c11	c11	NOUN
eurjchem-2634	220	137	)	)	PUNCT
eurjchem-2634	220	138	35.90	35.90	NUM
eurjchem-2634	220	139	0.33	0.33	NUM
eurjchem-2634	220	140	0.103	0.103	NUM
eurjchem-2634	220	141	π*(c15	π*(c15	PROPN
eurjchem-2634	220	142	-	-	PUNCT
eurjchem-2634	220	143	h19	h19	PROPN
eurjchem-2634	220	144	)	)	PUNCT
eurjchem-2634	220	145	17.59	17.59	NUM
eurjchem-2634	220	146	2.14	2.14	NUM
eurjchem-2634	220	147	0.177	0.177	NUM
eurjchem-2634	220	148	lp(2)o4	lp(2)o4	NOUN
eurjchem-2634	220	149	π*(c14	π*(c14	PROPN
eurjchem-2634	220	150	-	-	PUNCT
eurjchem-2634	220	151	c15	c15	NOUN
eurjchem-2634	220	152	)	)	PUNCT
eurjchem-2634	220	153	18.94	18.94	NUM
eurjchem-2634	220	154	0.69	0.69	NUM
eurjchem-2634	220	155	0.103	0.103	NUM
eurjchem-2634	220	156	π	π	SYM
eurjchem-2634	220	157	*	*	PUNCT
eurjchem-2634	220	158	(	(	PUNCT
eurjchem-2634	220	159	n5	n5	PROPN
eurjchem-2634	220	160	-	-	PUNCT
eurjchem-2634	220	161	c14	c14	NOUN
eurjchem-2634	220	162	)	)	PUNCT
eurjchem-2634	220	163	π*(o4	π*(o4	NOUN
eurjchem-2634	220	164	-	-	PUNCT
eurjchem-2634	220	165	c15	c15	NOUN
eurjchem-2634	220	166	)	)	PUNCT
eurjchem-2634	220	167	122.91	122.91	NUM
eurjchem-2634	220	168	0.01	0.01	NUM
eurjchem-2634	220	169	0.072	0.072	NUM
eurjchem-2634	220	170	π*(c10	π*(c10	PROPN
eurjchem-2634	220	171	-	-	PUNCT
eurjchem-2634	220	172	c13	c13	NOUN
eurjchem-2634	220	173	)	)	PUNCT
eurjchem-2634	220	174	112.67	112.67	NUM
eurjchem-2634	220	175	0.02	0.02	NUM
eurjchem-2634	220	176	0.082	0.082	NUM
eurjchem-2634	220	177	π*(c6	π*(c6	PROPN
eurjchem-2634	220	178	-	-	PUNCT
eurjchem-2634	220	179	c7	c7	PROPN
eurjchem-2634	220	180	)	)	PUNCT
eurjchem-2634	220	181	π*(c10	π*(c10	PROPN
eurjchem-2634	220	182	-	-	PUNCT
eurjchem-2634	220	183	c13	c13	NOUN
eurjchem-2634	220	184	)	)	PUNCT
eurjchem-2634	220	185	136.25	136.25	NUM
eurjchem-2634	220	186	0.02	0.02	NUM
eurjchem-2634	220	187	0.078	0.078	NUM
eurjchem-2634	220	188	a	a	DET
eurjchem-2634	220	189	π	π	PROPN
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eurjchem-2634	220	191	pi	pi	NOUN
eurjchem-2634	220	192	bonds	bond	NOUN
eurjchem-2634	220	193	,	,	PUNCT
eurjchem-2634	220	194	lp	lp	ADJ
eurjchem-2634	220	195	:	:	PUNCT
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eurjchem-2634	220	198	,	,	PUNCT
eurjchem-2634	220	199	ry	ry	NOUN
eurjchem-2634	220	200	*	*	NOUN
eurjchem-2634	220	201	:	:	PUNCT
eurjchem-2634	221	1	rydberg	rydberg	PROPN
eurjchem-2634	221	2	.	.	PUNCT
eurjchem-2634	222	1	b	b	X
eurjchem-2634	222	2	e(2	e(2	NOUN
eurjchem-2634	222	3	)	)	PUNCT
eurjchem-2634	222	4	means	mean	VERB
eurjchem-2634	222	5	the	the	DET
eurjchem-2634	222	6	energy	energy	NOUN
eurjchem-2634	222	7	of	of	ADP
eurjchem-2634	222	8	hyper	hyper	ADJ
eurjchem-2634	222	9	-	-	ADJ
eurjchem-2634	222	10	conjugative	conjugative	ADJ
eurjchem-2634	222	11	interactions	interaction	NOUN
eurjchem-2634	222	12	.	.	PUNCT
eurjchem-2634	223	1	c	c	NOUN
eurjchem-2634	223	2	energy	energy	NOUN
eurjchem-2634	223	3	difference	difference	NOUN
eurjchem-2634	223	4	between	between	ADP
eurjchem-2634	223	5	donor	donor	NOUN
eurjchem-2634	223	6	and	and	CCONJ
eurjchem-2634	223	7	acceptor	acceptor	NOUN
eurjchem-2634	223	8	i	i	PRON
eurjchem-2634	223	9	and	and	CCONJ
eurjchem-2634	223	10	j	j	PROPN
eurjchem-2634	223	11	nbo	nbo	PROPN
eurjchem-2634	223	12	orbitals	orbital	NOUN
eurjchem-2634	223	13	.	.	PUNCT
eurjchem-2634	224	1	d	d	X
eurjchem-2634	224	2	f(i	f(i	PROPN
eurjchem-2634	224	3	,	,	PUNCT
eurjchem-2634	224	4	j	j	NOUN
eurjchem-2634	224	5	)	)	PUNCT
eurjchem-2634	224	6	is	be	AUX
eurjchem-2634	224	7	the	the	DET
eurjchem-2634	224	8	fock	fock	ADJ
eurjchem-2634	224	9	matrix	matrix	NOUN
eurjchem-2634	224	10	element	element	NOUN
eurjchem-2634	224	11	between	between	ADP
eurjchem-2634	224	12	the	the	DET
eurjchem-2634	224	13	i	i	PROPN
eurjchem-2634	224	14	and	and	CCONJ
eurjchem-2634	224	15	j	j	PROPN
eurjchem-2634	224	16	nbo	nbo	PROPN
eurjchem-2634	224	17	orbitals	orbitals	PROPN
eurjchem-2634	224	18	.	.	PUNCT
eurjchem-2634	225	1	figure	figure	VERB
eurjchem-2634	225	2	5	5	NUM
eurjchem-2634	225	3	.	.	PUNCT
eurjchem-2634	225	4	variation	variation	NOUN
eurjchem-2634	225	5	of	of	ADP
eurjchem-2634	225	6	opdos	opdo	NOUN
eurjchem-2634	225	7	and	and	CCONJ
eurjchem-2634	225	8	tdos	tdo	NOUN
eurjchem-2634	225	9	,	,	PUNCT
eurjchem-2634	225	10	as	as	ADV
eurjchem-2634	225	11	well	well	ADV
eurjchem-2634	225	12	as	as	ADP
eurjchem-2634	225	13	pdos	pdo	NOUN
eurjchem-2634	225	14	in	in	ADP
eurjchem-2634	225	15	terms	term	NOUN
eurjchem-2634	225	16	of	of	ADP
eurjchem-2634	225	17	energy	energy	NOUN
eurjchem-2634	225	18	(	(	PUNCT
eurjchem-2634	225	19	a.u	a.u	PROPN
eurjchem-2634	225	20	.	.	PROPN
eurjchem-2634	225	21	)	)	PUNCT
eurjchem-2634	225	22	.	.	PUNCT
eurjchem-2634	226	1	the	the	DET
eurjchem-2634	226	2	main	main	ADJ
eurjchem-2634	226	3	contributions	contribution	NOUN
eurjchem-2634	226	4	for	for	ADP
eurjchem-2634	226	5	the	the	DET
eurjchem-2634	226	6	absorption	absorption	NOUN
eurjchem-2634	226	7	peak	peak	NOUN
eurjchem-2634	226	8	at	at	ADP
eurjchem-2634	226	9	395	395	NUM
eurjchem-2634	226	10	nm	nm	NOUN
eurjchem-2634	226	11	are	be	AUX
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eurjchem-2634	226	13	to	to	ADP
eurjchem-2634	226	14	the	the	DET
eurjchem-2634	226	15	homo	homo	NOUN
eurjchem-2634	226	16	/	/	SYM
eurjchem-2634	226	17	lumo	lumo	NOUN
eurjchem-2634	226	18	transition	transition	NOUN
eurjchem-2634	226	19	for	for	ADP
eurjchem-2634	226	20	all	all	DET
eurjchem-2634	226	21	three	three	NUM
eurjchem-2634	226	22	solutions	solution	NOUN
eurjchem-2634	226	23	.	.	PUNCT
eurjchem-2634	227	1	for	for	ADP
eurjchem-2634	227	2	the	the	DET
eurjchem-2634	227	3	peak	peak	NOUN
eurjchem-2634	227	4	at	at	ADP
eurjchem-2634	227	5	273	273	NUM
eurjchem-2634	227	6	nm	nm	NOUN
eurjchem-2634	227	7	,	,	PUNCT
eurjchem-2634	227	8	these	these	DET
eurjchem-2634	227	9	contributions	contribution	NOUN
eurjchem-2634	227	10	are	be	AUX
eurjchem-2634	227	11	due	due	ADJ
eurjchem-2634	227	12	to	to	ADP
eurjchem-2634	227	13	the	the	DET
eurjchem-2634	227	14	homo-1	homo-1	PROPN
eurjchem-2634	227	15	/	/	SYM
eurjchem-2634	227	16	lumo	lumo	NOUN
eurjchem-2634	227	17	and	and	CCONJ
eurjchem-2634	227	18	homo	homo	NOUN
eurjchem-2634	227	19	/	/	SYM
eurjchem-2634	227	20	lumo+1	lumo+1	PROPN
eurjchem-2634	227	21	transitions	transition	NOUN
eurjchem-2634	227	22	for	for	ADP
eurjchem-2634	227	23	dmso	dmso	NOUN
eurjchem-2634	227	24	and	and	CCONJ
eurjchem-2634	227	25	water	water	NOUN
eurjchem-2634	227	26	solvents	solvent	NOUN
eurjchem-2634	227	27	,	,	PUNCT
eurjchem-2634	227	28	while	while	SCONJ
eurjchem-2634	227	29	in	in	ADP
eurjchem-2634	227	30	the	the	DET
eurjchem-2634	227	31	ethanol	ethanol	NOUN
eurjchem-2634	227	32	solvent	solvent	NOUN
eurjchem-2634	227	33	,	,	PUNCT
eurjchem-2634	227	34	this	this	DET
eurjchem-2634	227	35	contribution	contribution	NOUN
eurjchem-2634	227	36	comes	come	VERB
eurjchem-2634	227	37	from	from	ADP
eurjchem-2634	227	38	the	the	DET
eurjchem-2634	227	39	homo-2	homo-2	NUM
eurjchem-2634	227	40	/	/	SYM
eurjchem-2634	227	41	lumo	lumo	NOUN
eurjchem-2634	227	42	and	and	CCONJ
eurjchem-2634	227	43	homo	homo	NOUN
eurjchem-2634	227	44	/	/	SYM
eurjchem-2634	227	45	lumo+1	lumo+1	PROPN
eurjchem-2634	227	46	transitions	transition	NOUN
eurjchem-2634	227	47	.	.	PUNCT
eurjchem-2634	228	1	the	the	DET
eurjchem-2634	228	2	main	main	ADJ
eurjchem-2634	228	3	contribution	contribution	NOUN
eurjchem-2634	228	4	values	value	NOUN
eurjchem-2634	228	5	for	for	ADP
eurjchem-2634	228	6	221	221	NUM
eurjchem-2634	228	7	nm	nm	NOUN
eurjchem-2634	228	8	come	come	VERB
eurjchem-2634	228	9	from	from	ADP
eurjchem-2634	228	10	the	the	DET
eurjchem-2634	228	11	homo-2	homo-2	NUM
eurjchem-2634	228	12	/	/	SYM
eurjchem-2634	228	13	lumo+1	lumo+1	PROPN
eurjchem-2634	228	14	and	and	CCONJ
eurjchem-2634	228	15	homo	homo	NOUN
eurjchem-2634	228	16	/	/	SYM
eurjchem-2634	228	17	lumo+2	lumo+2	PROPN
eurjchem-2634	228	18	transitions	transition	NOUN
eurjchem-2634	228	19	in	in	ADP
eurjchem-2634	228	20	the	the	DET
eurjchem-2634	228	21	ethanol	ethanol	NOUN
eurjchem-2634	228	22	solvent	solvent	NOUN
eurjchem-2634	228	23	,	,	PUNCT
eurjchem-2634	228	24	the	the	DET
eurjchem-2634	228	25	homo-1	homo-1	PROPN
eurjchem-2634	228	26	/	/	SYM
eurjchem-2634	228	27	lumo+1	lumo+1	PROPN
eurjchem-2634	228	28	and	and	CCONJ
eurjchem-2634	228	29	homo	homo	NOUN
eurjchem-2634	228	30	/	/	SYM
eurjchem-2634	228	31	lumo+2	lumo+2	PROPN
eurjchem-2634	228	32	transitions	transition	NOUN
eurjchem-2634	228	33	in	in	ADP
eurjchem-2634	228	34	the	the	DET
eurjchem-2634	228	35	dmso	dmso	ADJ
eurjchem-2634	228	36	solvent	solvent	NOUN
eurjchem-2634	228	37	and	and	CCONJ
eurjchem-2634	228	38	the	the	DET
eurjchem-2634	228	39	homo-1	homo-1	PROPN
eurjchem-2634	228	40	/	/	SYM
eurjchem-2634	228	41	lumo+1	lumo+1	PROPN
eurjchem-2634	228	42	and	and	CCONJ
eurjchem-2634	228	43	homo	homo	NOUN
eurjchem-2634	228	44	/	/	SYM
eurjchem-2634	228	45	lumo	lumo	NOUN
eurjchem-2634	228	46	transitions	transition	NOUN
eurjchem-2634	228	47	in	in	ADP
eurjchem-2634	228	48	the	the	DET
eurjchem-2634	228	49	water	water	NOUN
eurjchem-2634	228	50	solvent	solvent	NOUN
eurjchem-2634	228	51	.	.	PUNCT
eurjchem-2634	229	1	in	in	ADP
eurjchem-2634	229	2	calculations	calculation	NOUN
eurjchem-2634	229	3	made	make	VERB
eurjchem-2634	229	4	in	in	ADP
eurjchem-2634	229	5	different	different	ADJ
eurjchem-2634	229	6	solvents	solvent	NOUN
eurjchem-2634	229	7	,	,	PUNCT
eurjchem-2634	229	8	the	the	DET
eurjchem-2634	229	9	wavelengths	wavelength	NOUN
eurjchem-2634	229	10	of	of	ADP
eurjchem-2634	229	11	the	the	DET
eurjchem-2634	229	12	peaks	peak	NOUN
eurjchem-2634	229	13	observed	observe	VERB
eurjchem-2634	229	14	in	in	ADP
eurjchem-2634	229	15	the	the	DET
eurjchem-2634	229	16	uv	uv	NOUN
eurjchem-2634	229	17	-	-	PUNCT
eurjchem-2634	229	18	vis	vis	X
eurjchem-2634	229	19	absorption	absorption	NOUN
eurjchem-2634	229	20	spectrum	spectrum	NOUN
eurjchem-2634	229	21	did	do	AUX
eurjchem-2634	229	22	not	not	PART
eurjchem-2634	229	23	change	change	VERB
eurjchem-2634	229	24	.	.	PUNCT
eurjchem-2634	230	1	in	in	ADP
eurjchem-2634	230	2	other	other	ADJ
eurjchem-2634	230	3	words	word	NOUN
eurjchem-2634	230	4	,	,	PUNCT
eurjchem-2634	230	5	the	the	DET
eurjchem-2634	230	6	change	change	NOUN
eurjchem-2634	230	7	in	in	ADP
eurjchem-2634	230	8	the	the	DET
eurjchem-2634	230	9	dielectric	dielectric	ADJ
eurjchem-2634	230	10	constant	constant	ADJ
eurjchem-2634	230	11	in	in	ADP
eurjchem-2634	230	12	the	the	DET
eurjchem-2634	230	13	medium	medium	NOUN
eurjchem-2634	230	14	did	do	AUX
eurjchem-2634	230	15	not	not	PART
eurjchem-2634	230	16	cause	cause	VERB
eurjchem-2634	230	17	any	any	DET
eurjchem-2634	230	18	change	change	NOUN
eurjchem-2634	230	19	in	in	ADP
eurjchem-2634	230	20	the	the	DET
eurjchem-2634	230	21	wavelength	wavelength	NOUN
eurjchem-2634	230	22	.	.	PUNCT
eurjchem-2634	231	1	3.7	3.7	NUM
eurjchem-2634	231	2	.	.	PUNCT
eurjchem-2634	231	3	natural	natural	ADJ
eurjchem-2634	231	4	bond	bond	NOUN
eurjchem-2634	231	5	orbital	orbital	NOUN
eurjchem-2634	231	6	(	(	PUNCT
eurjchem-2634	231	7	nbo	nbo	NOUN
eurjchem-2634	231	8	)	)	PUNCT
eurjchem-2634	231	9	study	study	VERB
eurjchem-2634	231	10	the	the	DET
eurjchem-2634	231	11	analysis	analysis	NOUN
eurjchem-2634	231	12	of	of	ADP
eurjchem-2634	231	13	natural	natural	ADJ
eurjchem-2634	231	14	bond	bond	NOUN
eurjchem-2634	231	15	orbitals	orbital	NOUN
eurjchem-2634	231	16	(	(	PUNCT
eurjchem-2634	231	17	nbos	nbos	PROPN
eurjchem-2634	231	18	)	)	PUNCT
eurjchem-2634	231	19	is	be	AUX
eurjchem-2634	231	20	a	a	DET
eurjchem-2634	231	21	valuable	valuable	ADJ
eurjchem-2634	231	22	method	method	NOUN
eurjchem-2634	231	23	to	to	PART
eurjchem-2634	231	24	identify	identify	VERB
eurjchem-2634	231	25	the	the	DET
eurjchem-2634	231	26	properties	property	NOUN
eurjchem-2634	231	27	of	of	ADP
eurjchem-2634	231	28	electronic	electronic	ADJ
eurjchem-2634	231	29	systems	system	NOUN
eurjchem-2634	231	30	[	[	X
eurjchem-2634	231	31	38	38	NUM
eurjchem-2634	231	32	-	-	SYM
eurjchem-2634	231	33	40	40	NUM
eurjchem-2634	231	34	]	]	PUNCT
eurjchem-2634	231	35	.	.	PUNCT
eurjchem-2634	232	1	the	the	DET
eurjchem-2634	232	2	donor	donor	NOUN
eurjchem-2634	232	3	-	-	PUNCT
eurjchem-2634	232	4	acceptor	acceptor	NOUN
eurjchem-2634	232	5	interaction	interaction	NOUN
eurjchem-2634	232	6	is	be	AUX
eurjchem-2634	232	7	distinguished	distinguish	VERB
eurjchem-2634	232	8	by	by	ADP
eurjchem-2634	232	9	a	a	DET
eurjchem-2634	232	10	stabilization	stabilization	NOUN
eurjchem-2634	232	11	energy	energy	NOUN
eurjchem-2634	232	12	e(2	e(2	NOUN
eurjchem-2634	232	13	)	)	PUNCT
eurjchem-2634	232	14	according	accord	VERB
eurjchem-2634	232	15	to	to	ADP
eurjchem-2634	232	16	the	the	DET
eurjchem-2634	232	17	nbo	nbo	PROPN
eurjchem-2634	232	18	analysis	analysis	NOUN
eurjchem-2634	232	19	.	.	PUNCT
eurjchem-2634	233	1	table	table	NOUN
eurjchem-2634	233	2	6	6	NUM
eurjchem-2634	233	3	shows	show	VERB
eurjchem-2634	233	4	the	the	DET
eurjchem-2634	233	5	significant	significant	ADJ
eurjchem-2634	233	6	interactions	interaction	NOUN
eurjchem-2634	233	7	with	with	ADP
eurjchem-2634	233	8	the	the	DET
eurjchem-2634	233	9	highest	high	ADJ
eurjchem-2634	233	10	stabilization	stabilization	NOUN
eurjchem-2634	233	11	energies	energy	NOUN
eurjchem-2634	233	12	.	.	PUNCT
eurjchem-2634	234	1	the	the	DET
eurjchem-2634	234	2	electron	electron	NOUN
eurjchem-2634	234	3	coupling	couple	VERB
eurjchem-2634	234	4	π*(c6	π*(c6	PROPN
eurjchem-2634	234	5	-	-	PUNCT
eurjchem-2634	234	6	c7	c7	PROPN
eurjchem-2634	234	7	)	)	PUNCT
eurjchem-2634	234	8	→	→	SYM
eurjchem-2634	234	9	π*(c10	π*(c10	PROPN
eurjchem-2634	234	10	-	-	PUNCT
eurjchem-2634	234	11	c13	c13	NOUN
eurjchem-2634	234	12	)	)	PUNCT
eurjchem-2634	234	13	,	,	PUNCT
eurjchem-2634	234	14	π*(n5c14	π*(n5c14	NOUN
eurjchem-2634	234	15	)	)	PUNCT
eurjchem-2634	234	16	→	→	PUNCT
eurjchem-2634	234	17	π*(o4	π*(o4	NOUN
eurjchem-2634	234	18	-	-	PUNCT
eurjchem-2634	234	19	c15	c15	NOUN
eurjchem-2634	234	20	)	)	PUNCT
eurjchem-2634	234	21	,	,	PUNCT
eurjchem-2634	234	22	π*(n5	π*(n5	NOUN
eurjchem-2634	234	23	-	-	PUNCT
eurjchem-2634	234	24	c14	c14	NOUN
eurjchem-2634	234	25	)	)	PUNCT
eurjchem-2634	234	26	→	→	SYM
eurjchem-2634	234	27	π*(c10	π*(c10	PROPN
eurjchem-2634	234	28	-	-	PUNCT
eurjchem-2634	234	29	c13	c13	NOUN
eurjchem-2634	234	30	)	)	PUNCT
eurjchem-2634	234	31	in	in	ADP
eurjchem-2634	234	32	the	the	DET
eurjchem-2634	234	33	ligand	ligand	NOUN
eurjchem-2634	234	34	constituted	constitute	VERB
eurjchem-2634	234	35	the	the	DET
eurjchem-2634	234	36	most	most	ADV
eurjchem-2634	234	37	crucial	crucial	ADJ
eurjchem-2634	234	38	transitions	transition	NOUN
eurjchem-2634	234	39	of	of	ADP
eurjchem-2634	234	40	energy	energy	NOUN
eurjchem-2634	234	41	.	.	PUNCT
eurjchem-2634	235	1	these	these	DET
eurjchem-2634	235	2	interactions	interaction	NOUN
eurjchem-2634	235	3	resulted	result	VERB
eurjchem-2634	235	4	in	in	ADP
eurjchem-2634	235	5	stabilization	stabilization	NOUN
eurjchem-2634	235	6	energies	energy	NOUN
eurjchem-2634	235	7	of	of	ADP
eurjchem-2634	235	8	136.25	136.25	NUM
eurjchem-2634	235	9	,	,	PUNCT
eurjchem-2634	235	10	122.91	122.91	NUM
eurjchem-2634	235	11	,	,	PUNCT
eurjchem-2634	235	12	and	and	CCONJ
eurjchem-2634	235	13	112.67	112.67	NUM
eurjchem-2634	235	14	kcal	kcal	NOUN
eurjchem-2634	235	15	/	/	SYM
eurjchem-2634	235	16	mol	mol	PROPN
eurjchem-2634	235	17	,	,	PUNCT
eurjchem-2634	235	18	respectively	respectively	ADV
eurjchem-2634	235	19	.	.	PUNCT
eurjchem-2634	236	1	according	accord	VERB
eurjchem-2634	236	2	to	to	ADP
eurjchem-2634	236	3	the	the	DET
eurjchem-2634	236	4	secondorder	secondorder	ADJ
eurjchem-2634	236	5	perturbation	perturbation	NOUN
eurjchem-2634	236	6	energy	energy	NOUN
eurjchem-2634	236	7	results	result	NOUN
eurjchem-2634	236	8	,	,	PUNCT
eurjchem-2634	236	9	these	these	DET
eurjchem-2634	236	10	electron	electron	NOUN
eurjchem-2634	236	11	transfers	transfer	NOUN
eurjchem-2634	236	12	occurring	occur	VERB
eurjchem-2634	236	13	in	in	ADP
eurjchem-2634	236	14	the	the	DET
eurjchem-2634	236	15	pyridine	pyridine	NOUN
eurjchem-2634	236	16	ring	ring	NOUN
eurjchem-2634	236	17	constitute	constitute	VERB
eurjchem-2634	236	18	the	the	DET
eurjchem-2634	236	19	main	main	ADJ
eurjchem-2634	236	20	source	source	NOUN
eurjchem-2634	236	21	of	of	ADP
eurjchem-2634	236	22	electron	electron	NOUN
eurjchem-2634	236	23	transitions	transition	NOUN
eurjchem-2634	236	24	in	in	ADP
eurjchem-2634	236	25	this	this	DET
eurjchem-2634	236	26	molecule	molecule	NOUN
eurjchem-2634	236	27	.	.	PUNCT
eurjchem-2634	237	1	furthermore	furthermore	ADV
eurjchem-2634	237	2	,	,	PUNCT
eurjchem-2634	237	3	the	the	DET
eurjchem-2634	237	4	lone	lone	ADJ
eurjchem-2634	237	5	pair	pair	NOUN
eurjchem-2634	237	6	electrons	electron	NOUN
eurjchem-2634	237	7	between	between	ADP
eurjchem-2634	237	8	lp3(cl	lp3(cl	PROPN
eurjchem-2634	237	9	)	)	PUNCT
eurjchem-2634	237	10	and	and	CCONJ
eurjchem-2634	237	11	lp2(o4	lp2(o4	NOUN
eurjchem-2634	237	12	)	)	PUNCT
eurjchem-2634	237	13	show	show	VERB
eurjchem-2634	237	14	that	that	SCONJ
eurjchem-2634	237	15	the	the	DET
eurjchem-2634	237	16	chlorine	chlorine	NOUN
eurjchem-2634	237	17	and	and	CCONJ
eurjchem-2634	237	18	oxygen	oxygen	NOUN
eurjchem-2634	237	19	atoms	atom	NOUN
eurjchem-2634	237	20	contribute	contribute	VERB
eurjchem-2634	237	21	electrons	electron	NOUN
eurjchem-2634	237	22	to	to	ADP
eurjchem-2634	237	23	other	other	ADJ
eurjchem-2634	237	24	bonds	bond	NOUN
eurjchem-2634	237	25	.	.	PUNCT
eurjchem-2634	238	1	3.8	3.8	NUM
eurjchem-2634	238	2	.	.	PUNCT
eurjchem-2634	238	3	nci	nci	PROPN
eurjchem-2634	238	4	-	-	PUNCT
eurjchem-2634	238	5	rdg	rdg	NOUN
eurjchem-2634	238	6	analysis	analysis	NOUN
eurjchem-2634	238	7	the	the	DET
eurjchem-2634	238	8	noncovalent	noncovalent	NOUN
eurjchem-2634	238	9	interactions	interaction	NOUN
eurjchem-2634	238	10	(	(	PUNCT
eurjchem-2634	238	11	nci	nci	NOUN
eurjchem-2634	238	12	)	)	PUNCT
eurjchem-2634	238	13	visualization	visualization	NOUN
eurjchem-2634	238	14	index	index	NOUN
eurjchem-2634	238	15	is	be	AUX
eurjchem-2634	238	16	based	base	VERB
eurjchem-2634	238	17	on	on	ADP
eurjchem-2634	238	18	the	the	DET
eurjchem-2634	238	19	density	density	NOUN
eurjchem-2634	238	20	and	and	CCONJ
eurjchem-2634	238	21	its	its	PRON
eurjchem-2634	238	22	many	many	ADJ
eurjchem-2634	238	23	components	component	NOUN
eurjchem-2634	238	24	.	.	PUNCT
eurjchem-2634	239	1	these	these	DET
eurjchem-2634	239	2	changes	change	NOUN
eurjchem-2634	239	3	facilitate	facilitate	VERB
eurjchem-2634	239	4	the	the	DET
eurjchem-2634	239	5	identification	identification	NOUN
eurjchem-2634	239	6	of	of	ADP
eurjchem-2634	239	7	noncovalent	noncovalent	ADJ
eurjchem-2634	239	8	interactions	interaction	NOUN
eurjchem-2634	239	9	.	.	PUNCT
eurjchem-2634	240	1	the	the	DET
eurjchem-2634	240	2	presence	presence	NOUN
eurjchem-2634	240	3	of	of	ADP
eurjchem-2634	240	4	reduced	reduce	VERB
eurjchem-2634	240	5	density	density	NOUN
eurjchem-2634	240	6	gradient	gradient	NOUN
eurjchem-2634	240	7	(	(	PUNCT
eurjchem-2634	240	8	rdg	rdg	NOUN
eurjchem-2634	240	9	)	)	PUNCT
eurjchem-2634	240	10	peaks	peak	NOUN
eurjchem-2634	240	11	at	at	ADP
eurjchem-2634	240	12	low	low	ADJ
eurjchem-2634	240	13	densities	density	NOUN
eurjchem-2634	240	14	provides	provide	VERB
eurjchem-2634	240	15	corroboration	corroboration	NOUN
eurjchem-2634	240	16	.	.	PUNCT
eurjchem-2634	241	1	these	these	DET
eurjchem-2634	241	2	places	place	NOUN
eurjchem-2634	241	3	create	create	VERB
eurjchem-2634	241	4	a	a	DET
eurjchem-2634	241	5	substantial	substantial	ADJ
eurjchem-2634	241	6	alteration	alteration	NOUN
eurjchem-2634	241	7	in	in	ADP
eurjchem-2634	241	8	the	the	DET
eurjchem-2634	241	9	rdg	rdg	NOUN
eurjchem-2634	241	10	by	by	ADP
eurjchem-2634	241	11	eliminating	eliminate	VERB
eurjchem-2634	241	12	the	the	DET
eurjchem-2634	241	13	molecular	molecular	ADJ
eurjchem-2634	241	14	density	density	NOUN
eurjchem-2634	241	15	gradient	gradient	NOUN
eurjchem-2634	241	16	[	[	X
eurjchem-2634	241	17	41	41	NUM
eurjchem-2634	241	18	]	]	PUNCT
eurjchem-2634	241	19	.	.	PUNCT
eurjchem-2634	242	1	in	in	ADP
eurjchem-2634	242	2	the	the	DET
eurjchem-2634	242	3	scattering	scattering	NOUN
eurjchem-2634	242	4	of	of	ADP
eurjchem-2634	242	5	the	the	DET
eurjchem-2634	242	6	5,7	5,7	NUM
eurjchem-2634	242	7	-	-	PUNCT
eurjchem-2634	242	8	dichloro-8hydroxyquinoline-2	dichloro-8hydroxyquinoline-2	ADJ
eurjchem-2634	242	9	-	-	PUNCT
eurjchem-2634	242	10	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	242	11	molecule	molecule	NOUN
eurjchem-2634	242	12	and	and	CCONJ
eurjchem-2634	242	13	the	the	DET
eurjchem-2634	242	14	gradient	gradient	ADJ
eurjchem-2634	242	15	isosurface	isosurface	NOUN
eurjchem-2634	242	16	map	map	NOUN
eurjchem-2634	242	17	,	,	PUNCT
eurjchem-2634	242	18	there	there	PRON
eurjchem-2634	242	19	are	be	VERB
eurjchem-2634	242	20	several	several	ADJ
eurjchem-2634	242	21	spikes	spike	NOUN
eurjchem-2634	242	22	between	between	ADP
eurjchem-2634	242	23	0.05	0.05	NUM
eurjchem-2634	242	24	and	and	CCONJ
eurjchem-2634	242	25	+0.05	+0.05	PROPN
eurjchem-2634	242	26	a.u	a.u	PROPN
eurjchem-2634	242	27	.	.	PROPN
eurjchem-2634	242	28	,	,	PUNCT
eurjchem-2634	242	29	which	which	PRON
eurjchem-2634	242	30	helped	help	VERB
eurjchem-2634	242	31	to	to	PART
eurjchem-2634	242	32	explain	explain	VERB
eurjchem-2634	242	33	the	the	DET
eurjchem-2634	242	34	characteristics	characteristic	NOUN
eurjchem-2634	242	35	of	of	ADP
eurjchem-2634	242	36	the	the	DET
eurjchem-2634	242	37	intermolecular	intermolecular	ADJ
eurjchem-2634	242	38	interaction	interaction	NOUN
eurjchem-2634	242	39	.	.	PUNCT
eurjchem-2634	243	1	within	within	ADP
eurjchem-2634	243	2	the	the	DET
eurjchem-2634	243	3	pyridine	pyridine	NOUN
eurjchem-2634	243	4	and	and	CCONJ
eurjchem-2634	243	5	benzene	benzene	NOUN
eurjchem-2634	243	6	ceyhun	ceyhun	NOUN
eurjchem-2634	243	7	kucuk	kucuk	PROPN
eurjchem-2634	243	8	/	/	SYM
eurjchem-2634	243	9	european	european	PROPN
eurjchem-2634	243	10	journal	journal	PROPN
eurjchem-2634	243	11	of	of	ADP
eurjchem-2634	243	12	chemistry	chemistry	NOUN
eurjchem-2634	243	13	16	16	NUM
eurjchem-2634	243	14	(	(	PUNCT
eurjchem-2634	243	15	1	1	NUM
eurjchem-2634	243	16	)	)	PUNCT
eurjchem-2634	243	17	(	(	PUNCT
eurjchem-2634	243	18	2025	2025	NUM
eurjchem-2634	243	19	)	)	PUNCT
eurjchem-2634	243	20	70	70	NUM
eurjchem-2634	243	21	-	-	SYM
eurjchem-2634	243	22	82	82	NUM
eurjchem-2634	243	23	77	77	NUM
eurjchem-2634	243	24	2025	2025	NUM
eurjchem-2634	243	25	–	–	PUNCT
eurjchem-2634	243	26	european	european	ADJ
eurjchem-2634	243	27	journal	journal	NOUN
eurjchem-2634	243	28	of	of	ADP
eurjchem-2634	243	29	chemistry	chemistry	NOUN
eurjchem-2634	243	30	–	–	PUNCT
eurjchem-2634	243	31	cc	cc	NOUN
eurjchem-2634	243	32	by	by	ADP
eurjchem-2634	243	33	nc	nc	PROPN
eurjchem-2634	243	34	–	–	PUNCT
eurjchem-2634	243	35	doi	doi	NOUN
eurjchem-2634	243	36	:	:	PUNCT
eurjchem-2634	243	37	10.5155	10.5155	NUM
eurjchem-2634	243	38	/	/	SYM
eurjchem-2634	243	39	eurjchem.16.1.70	eurjchem.16.1.70	SYM
eurjchem-2634	243	40	-	-	PUNCT
eurjchem-2634	243	41	82.2634	82.2634	NUM
eurjchem-2634	243	42	figure	figure	NOUN
eurjchem-2634	243	43	6	6	NUM
eurjchem-2634	243	44	.	.	PUNCT
eurjchem-2634	243	45	uv	uv	NOUN
eurjchem-2634	243	46	-	-	PUNCT
eurjchem-2634	243	47	vis	vis	X
eurjchem-2634	243	48	absorbsiton	absorbsiton	NOUN
eurjchem-2634	243	49	spectra	spectra	NOUN
eurjchem-2634	243	50	of	of	ADP
eurjchem-2634	243	51	the	the	DET
eurjchem-2634	243	52	5,7	5,7	NUM
eurjchem-2634	243	53	-	-	PUNCT
eurjchem-2634	243	54	dichloro-8	dichloro-8	VERB
eurjchem-2634	243	55	-	-	PUNCT
eurjchem-2634	243	56	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	243	57	-	-	PUNCT
eurjchem-2634	243	58	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	243	59	molecule	molecule	NOUN
eurjchem-2634	243	60	.	.	PUNCT
eurjchem-2634	244	1	figure	figure	NOUN
eurjchem-2634	244	2	7	7	NUM
eurjchem-2634	244	3	.	.	PUNCT
eurjchem-2634	245	1	2d	2d	NOUN
eurjchem-2634	245	2	scatter	scatter	NOUN
eurjchem-2634	245	3	and	and	CCONJ
eurjchem-2634	245	4	isosurface	isosurface	VERB
eurjchem-2634	245	5	density	density	NOUN
eurjchem-2634	245	6	plot	plot	NOUN
eurjchem-2634	245	7	of	of	ADP
eurjchem-2634	245	8	5,7	5,7	NUM
eurjchem-2634	245	9	-	-	PUNCT
eurjchem-2634	245	10	dichloro-8	dichloro-8	VERB
eurjchem-2634	245	11	-	-	PUNCT
eurjchem-2634	245	12	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	245	13	-	-	PUNCT
eurjchem-2634	245	14	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	245	15	molecule	molecule	NOUN
eurjchem-2634	245	16	.	.	PUNCT
eurjchem-2634	246	1	rings	ring	NOUN
eurjchem-2634	246	2	,	,	PUNCT
eurjchem-2634	246	3	the	the	DET
eurjchem-2634	246	4	repulsive	repulsive	ADJ
eurjchem-2634	246	5	effect	effect	NOUN
eurjchem-2634	246	6	is	be	AUX
eurjchem-2634	246	7	observed	observe	VERB
eurjchem-2634	246	8	between	between	ADP
eurjchem-2634	246	9	0.02	0.02	NUM
eurjchem-2634	246	10	and	and	CCONJ
eurjchem-2634	246	11	0.05	0.05	NUM
eurjchem-2634	246	12	a.u	a.u	PROPN
eurjchem-2634	246	13	.	.	PROPN
eurjchem-2634	246	14	values	value	NOUN
eurjchem-2634	246	15	,	,	PUNCT
eurjchem-2634	246	16	exhibiting	exhibit	VERB
eurjchem-2634	246	17	a	a	DET
eurjchem-2634	246	18	strong	strong	ADJ
eurjchem-2634	246	19	steric	steric	ADJ
eurjchem-2634	246	20	effect	effect	NOUN
eurjchem-2634	246	21	(	(	PUNCT
eurjchem-2634	246	22	red	red	ADJ
eurjchem-2634	246	23	color	color	NOUN
eurjchem-2634	246	24	)	)	PUNCT
eurjchem-2634	246	25	.	.	PUNCT
eurjchem-2634	247	1	in	in	ADP
eurjchem-2634	247	2	addition	addition	NOUN
eurjchem-2634	247	3	,	,	PUNCT
eurjchem-2634	247	4	red	red	ADJ
eurjchem-2634	247	5	mixed	mixed	ADJ
eurjchem-2634	247	6	green	green	ADJ
eurjchem-2634	247	7	flaky	flaky	ADJ
eurjchem-2634	247	8	patches	patch	NOUN
eurjchem-2634	247	9	symbolize	symbolize	VERB
eurjchem-2634	247	10	the	the	DET
eurjchem-2634	247	11	interactions	interaction	NOUN
eurjchem-2634	247	12	of	of	ADP
eurjchem-2634	247	13	van	van	PROPN
eurjchem-2634	247	14	der	der	NOUN
eurjchem-2634	247	15	waals	waal	NOUN
eurjchem-2634	247	16	molecules	molecule	NOUN
eurjchem-2634	247	17	with	with	ADP
eurjchem-2634	247	18	each	each	DET
eurjchem-2634	247	19	other	other	ADJ
eurjchem-2634	247	20	during	during	ADP
eurjchem-2634	247	21	this	this	DET
eurjchem-2634	247	22	process	process	NOUN
eurjchem-2634	247	23	and	and	CCONJ
eurjchem-2634	247	24	show	show	VERB
eurjchem-2634	247	25	that	that	SCONJ
eurjchem-2634	247	26	non	non	ADJ
eurjchem-2634	247	27	-	-	ADJ
eurjchem-2634	247	28	covalent	covalent	ADJ
eurjchem-2634	247	29	weak	weak	ADJ
eurjchem-2634	247	30	c	c	NOUN
eurjchem-2634	247	31	-	-	PUNCT
eurjchem-2634	247	32	h···o	h···o	PROPN
eurjchem-2634	247	33	,	,	PUNCT
eurjchem-2634	247	34	o	o	NOUN
eurjchem-2634	247	35	-	-	PUNCT
eurjchem-2634	247	36	h···cl	h···cl	NOUN
eurjchem-2634	247	37	,	,	PUNCT
eurjchem-2634	247	38	and	and	CCONJ
eurjchem-2634	247	39	n···o	n···o	NOUN
eurjchem-2634	247	40	interactions	interaction	NOUN
eurjchem-2634	247	41	occur	occur	AUX
eurjchem-2634	247	42	(	(	PUNCT
eurjchem-2634	247	43	figure	figure	NOUN
eurjchem-2634	247	44	7	7	NUM
eurjchem-2634	247	45	)	)	PUNCT
eurjchem-2634	247	46	.	.	PUNCT
eurjchem-2634	248	1	3.9	3.9	NUM
eurjchem-2634	248	2	.	.	PUNCT
eurjchem-2634	249	1	mep	mep	PROPN
eurjchem-2634	249	2	analysis	analysis	NOUN
eurjchem-2634	249	3	the	the	DET
eurjchem-2634	249	4	molecular	molecular	ADJ
eurjchem-2634	249	5	electrostatic	electrostatic	ADJ
eurjchem-2634	249	6	potential	potential	NOUN
eurjchem-2634	249	7	(	(	PUNCT
eurjchem-2634	249	8	mep	mep	PROPN
eurjchem-2634	249	9	)	)	PUNCT
eurjchem-2634	249	10	diagram	diagram	NOUN
eurjchem-2634	249	11	is	be	AUX
eurjchem-2634	249	12	widely	widely	ADV
eurjchem-2634	249	13	recognized	recognize	VERB
eurjchem-2634	249	14	for	for	ADP
eurjchem-2634	249	15	its	its	PRON
eurjchem-2634	249	16	ability	ability	NOUN
eurjchem-2634	249	17	to	to	PART
eurjchem-2634	249	18	provide	provide	VERB
eurjchem-2634	249	19	valuable	valuable	ADJ
eurjchem-2634	249	20	information	information	NOUN
eurjchem-2634	249	21	on	on	ADP
eurjchem-2634	249	22	the	the	DET
eurjchem-2634	249	23	chemical	chemical	NOUN
eurjchem-2634	249	24	reactivity	reactivity	NOUN
eurjchem-2634	249	25	behavior	behavior	NOUN
eurjchem-2634	249	26	of	of	ADP
eurjchem-2634	249	27	medicinal	medicinal	ADJ
eurjchem-2634	249	28	compounds	compound	NOUN
eurjchem-2634	249	29	.	.	PUNCT
eurjchem-2634	250	1	it	it	PRON
eurjchem-2634	250	2	allows	allow	VERB
eurjchem-2634	250	3	for	for	ADP
eurjchem-2634	250	4	accurate	accurate	ADJ
eurjchem-2634	250	5	predictions	prediction	NOUN
eurjchem-2634	250	6	of	of	ADP
eurjchem-2634	250	7	the	the	DET
eurjchem-2634	250	8	electrophilic	electrophilic	ADJ
eurjchem-2634	250	9	and	and	CCONJ
eurjchem-2634	250	10	nucleophilic	nucleophilic	ADJ
eurjchem-2634	250	11	regions	region	NOUN
eurjchem-2634	250	12	of	of	ADP
eurjchem-2634	250	13	molecular	molecular	ADJ
eurjchem-2634	250	14	systems	system	NOUN
eurjchem-2634	250	15	.	.	PUNCT
eurjchem-2634	251	1	there	there	PRON
eurjchem-2634	251	2	are	be	VERB
eurjchem-2634	251	3	different	different	ADJ
eurjchem-2634	251	4	colors	color	NOUN
eurjchem-2634	251	5	on	on	ADP
eurjchem-2634	251	6	the	the	DET
eurjchem-2634	251	7	molecular	molecular	ADJ
eurjchem-2634	251	8	electrostatic	electrostatic	ADJ
eurjchem-2634	251	9	potential	potential	NOUN
eurjchem-2634	251	10	(	(	PUNCT
eurjchem-2634	251	11	mep	mep	PROPN
eurjchem-2634	251	12	)	)	PUNCT
eurjchem-2634	251	13	.	.	PUNCT
eurjchem-2634	252	1	the	the	DET
eurjchem-2634	252	2	red	red	ADJ
eurjchem-2634	252	3	color	color	NOUN
eurjchem-2634	252	4	shows	show	VERB
eurjchem-2634	252	5	areas	area	NOUN
eurjchem-2634	252	6	of	of	ADP
eurjchem-2634	252	7	the	the	DET
eurjchem-2634	252	8	molecule	molecule	NOUN
eurjchem-2634	252	9	with	with	ADP
eurjchem-2634	252	10	a	a	DET
eurjchem-2634	252	11	lot	lot	NOUN
eurjchem-2634	252	12	of	of	ADP
eurjchem-2634	252	13	electrons	electron	NOUN
eurjchem-2634	252	14	(	(	PUNCT
eurjchem-2634	252	15	negative	negative	ADJ
eurjchem-2634	252	16	electrostatic	electrostatic	ADJ
eurjchem-2634	252	17	potential	potential	ADJ
eurjchem-2634	252	18	regions	region	NOUN
eurjchem-2634	252	19	for	for	ADP
eurjchem-2634	252	20	nucleophilic	nucleophilic	ADJ
eurjchem-2634	252	21	attack	attack	NOUN
eurjchem-2634	252	22	reactions	reaction	NOUN
eurjchem-2634	252	23	)	)	PUNCT
eurjchem-2634	252	24	,	,	PUNCT
eurjchem-2634	252	25	and	and	CCONJ
eurjchem-2634	252	26	the	the	DET
eurjchem-2634	252	27	blue	blue	ADJ
eurjchem-2634	252	28	color	color	NOUN
eurjchem-2634	252	29	shows	show	VERB
eurjchem-2634	252	30	areas	area	NOUN
eurjchem-2634	252	31	with	with	ADP
eurjchem-2634	252	32	few	few	ADJ
eurjchem-2634	252	33	electrons	electron	NOUN
eurjchem-2634	252	34	(	(	PUNCT
eurjchem-2634	252	35	positive	positive	ADJ
eurjchem-2634	252	36	electrostatic	electrostatic	ADJ
eurjchem-2634	252	37	potential	potential	ADJ
eurjchem-2634	252	38	regions	region	NOUN
eurjchem-2634	252	39	for	for	ADP
eurjchem-2634	252	40	electrophilic	electrophilic	ADJ
eurjchem-2634	252	41	attack	attack	NOUN
eurjchem-2634	252	42	reactions	reaction	NOUN
eurjchem-2634	252	43	)	)	PUNCT
eurjchem-2634	253	1	[	[	X
eurjchem-2634	253	2	42	42	NUM
eurjchem-2634	253	3	]	]	PUNCT
eurjchem-2634	253	4	.	.	PUNCT
eurjchem-2634	254	1	the	the	DET
eurjchem-2634	254	2	red	red	ADJ
eurjchem-2634	254	3	color	color	NOUN
eurjchem-2634	254	4	on	on	ADP
eurjchem-2634	254	5	the	the	DET
eurjchem-2634	254	6	mep	mep	PROPN
eurjchem-2634	254	7	is	be	AUX
eurjchem-2634	254	8	typically	typically	ADV
eurjchem-2634	254	9	associated	associate	VERB
eurjchem-2634	254	10	with	with	ADP
eurjchem-2634	254	11	the	the	DET
eurjchem-2634	254	12	presence	presence	NOUN
eurjchem-2634	254	13	of	of	ADP
eurjchem-2634	254	14	a	a	DET
eurjchem-2634	254	15	lone	lone	ADJ
eurjchem-2634	254	16	pair	pair	NOUN
eurjchem-2634	254	17	of	of	ADP
eurjchem-2634	254	18	electrons	electron	NOUN
eurjchem-2634	254	19	on	on	ADP
eurjchem-2634	254	20	the	the	DET
eurjchem-2634	254	21	electronegative	electronegative	ADJ
eurjchem-2634	254	22	atom	atom	NOUN
eurjchem-2634	254	23	.	.	PUNCT
eurjchem-2634	255	1	in	in	ADP
eurjchem-2634	255	2	contrast	contrast	NOUN
eurjchem-2634	255	3	,	,	PUNCT
eurjchem-2634	255	4	the	the	DET
eurjchem-2634	255	5	blue	blue	ADJ
eurjchem-2634	255	6	color	color	NOUN
eurjchem-2634	255	7	of	of	ADP
eurjchem-2634	255	8	the	the	DET
eurjchem-2634	255	9	mep	mep	PROPN
eurjchem-2634	255	10	is	be	AUX
eurjchem-2634	255	11	indicative	indicative	ADJ
eurjchem-2634	255	12	of	of	ADP
eurjchem-2634	255	13	the	the	DET
eurjchem-2634	255	14	electropositive	electropositive	ADJ
eurjchem-2634	255	15	atom	atom	NOUN
eurjchem-2634	255	16	or	or	CCONJ
eurjchem-2634	255	17	group	group	NOUN
eurjchem-2634	255	18	,	,	PUNCT
eurjchem-2634	255	19	such	such	ADJ
eurjchem-2634	255	20	as	as	ADP
eurjchem-2634	255	21	a	a	DET
eurjchem-2634	255	22	hydrogen	hydrogen	NOUN
eurjchem-2634	255	23	atom	atom	NOUN
eurjchem-2634	255	24	or	or	CCONJ
eurjchem-2634	255	25	a	a	DET
eurjchem-2634	255	26	single	single	ADJ
eurjchem-2634	255	27	-	-	PUNCT
eurjchem-2634	255	28	bond	bond	NOUN
eurjchem-2634	255	29	ch3	ch3	PROPN
eurjchem-2634	255	30	group	group	NOUN
eurjchem-2634	256	1	[	[	X
eurjchem-2634	256	2	43	43	NUM
eurjchem-2634	256	3	-	-	SYM
eurjchem-2634	256	4	45	45	NUM
eurjchem-2634	256	5	]	]	PUNCT
eurjchem-2634	256	6	.	.	PUNCT
eurjchem-2634	257	1	the	the	DET
eurjchem-2634	257	2	mep	mep	PROPN
eurjchem-2634	257	3	maps	map	NOUN
eurjchem-2634	257	4	obtained	obtain	VERB
eurjchem-2634	257	5	from	from	ADP
eurjchem-2634	257	6	the	the	DET
eurjchem-2634	257	7	calculations	calculation	NOUN
eurjchem-2634	257	8	for	for	ADP
eurjchem-2634	257	9	the	the	DET
eurjchem-2634	257	10	gas	gas	NOUN
eurjchem-2634	257	11	phase	phase	NOUN
eurjchem-2634	257	12	and	and	CCONJ
eurjchem-2634	257	13	other	other	ADJ
eurjchem-2634	257	14	solvents	solvent	NOUN
eurjchem-2634	257	15	are	be	AUX
eurjchem-2634	257	16	presented	present	VERB
eurjchem-2634	257	17	in	in	ADP
eurjchem-2634	257	18	figure	figure	NOUN
eurjchem-2634	257	19	8	8	NUM
eurjchem-2634	257	20	.	.	PUNCT
eurjchem-2634	258	1	the	the	DET
eurjchem-2634	258	2	most	most	ADV
eurjchem-2634	258	3	negative	negative	ADJ
eurjchem-2634	258	4	value	value	NOUN
eurjchem-2634	258	5	of	of	ADP
eurjchem-2634	258	6	the	the	DET
eurjchem-2634	258	7	electron	electron	NOUN
eurjchem-2634	258	8	density	density	NOUN
eurjchem-2634	258	9	of	of	ADP
eurjchem-2634	258	10	the	the	DET
eurjchem-2634	258	11	mep	mep	PROPN
eurjchem-2634	258	12	map	map	NOUN
eurjchem-2634	258	13	in	in	ADP
eurjchem-2634	258	14	the	the	DET
eurjchem-2634	258	15	gas	gas	NOUN
eurjchem-2634	258	16	phase	phase	NOUN
eurjchem-2634	258	17	is	be	AUX
eurjchem-2634	258	18	-0.05462	-0.05462	NOUN
eurjchem-2634	258	19	a.u	a.u	PROPN
eurjchem-2634	258	20	.	.	PROPN
eurjchem-2634	258	21	and	and	CCONJ
eurjchem-2634	258	22	the	the	DET
eurjchem-2634	258	23	most	most	ADV
eurjchem-2634	258	24	positive	positive	ADJ
eurjchem-2634	258	25	value	value	NOUN
eurjchem-2634	258	26	is	be	AUX
eurjchem-2634	258	27	+0.05462	+0.05462	X
eurjchem-2634	258	28	a.u	a.u	PROPN
eurjchem-2634	258	29	.	.	PROPN
eurjchem-2634	258	30	in	in	ADP
eurjchem-2634	258	31	solvents	solvent	NOUN
eurjchem-2634	258	32	,	,	PUNCT
eurjchem-2634	258	33	the	the	DET
eurjchem-2634	258	34	negative	negative	ADJ
eurjchem-2634	258	35	values	value	NOUN
eurjchem-2634	258	36	and	and	CCONJ
eurjchem-2634	258	37	positive	positive	ADJ
eurjchem-2634	258	38	values	value	NOUN
eurjchem-2634	258	39	of	of	ADP
eurjchem-2634	258	40	electron	electron	NOUN
eurjchem-2634	258	41	densities	density	NOUN
eurjchem-2634	258	42	raised	raise	VERB
eurjchem-2634	258	43	with	with	ADP
eurjchem-2634	258	44	the	the	DET
eurjchem-2634	258	45	increase	increase	NOUN
eurjchem-2634	258	46	of	of	ADP
eurjchem-2634	258	47	the	the	DET
eurjchem-2634	258	48	dielectric	dielectric	ADJ
eurjchem-2634	258	49	coefficient	coefficient	NOUN
eurjchem-2634	258	50	.	.	PUNCT
eurjchem-2634	259	1	in	in	ADP
eurjchem-2634	259	2	other	other	ADJ
eurjchem-2634	259	3	words	word	NOUN
eurjchem-2634	259	4	,	,	PUNCT
eurjchem-2634	259	5	regions	region	NOUN
eurjchem-2634	259	6	with	with	ADP
eurjchem-2634	259	7	electrophilic	electrophilic	ADJ
eurjchem-2634	259	8	properties	property	NOUN
eurjchem-2634	259	9	became	become	VERB
eurjchem-2634	259	10	more	more	ADV
eurjchem-2634	259	11	negative	negative	ADJ
eurjchem-2634	259	12	,	,	PUNCT
eurjchem-2634	259	13	and	and	CCONJ
eurjchem-2634	259	14	regions	region	NOUN
eurjchem-2634	259	15	with	with	ADP
eurjchem-2634	259	16	nucleophilic	nucleophilic	ADJ
eurjchem-2634	259	17	properties	property	NOUN
eurjchem-2634	259	18	became	become	VERB
eurjchem-2634	259	19	more	more	ADV
eurjchem-2634	259	20	positive	positive	ADJ
eurjchem-2634	259	21	.	.	PUNCT
eurjchem-2634	260	1	the	the	DET
eurjchem-2634	260	2	charge	charge	NOUN
eurjchem-2634	260	3	distribution	distribution	NOUN
eurjchem-2634	260	4	of	of	ADP
eurjchem-2634	260	5	the	the	DET
eurjchem-2634	260	6	atoms	atom	NOUN
eurjchem-2634	260	7	changed	change	VERB
eurjchem-2634	260	8	in	in	ADP
eurjchem-2634	260	9	environments	environment	NOUN
eurjchem-2634	260	10	with	with	ADP
eurjchem-2634	260	11	a	a	DET
eurjchem-2634	260	12	dielectric	dielectric	ADJ
eurjchem-2634	260	13	constant	constant	ADJ
eurjchem-2634	260	14	higher	high	ADJ
eurjchem-2634	260	15	than	than	ADP
eurjchem-2634	260	16	that	that	PRON
eurjchem-2634	260	17	of	of	ADP
eurjchem-2634	260	18	the	the	DET
eurjchem-2634	260	19	gas	gas	NOUN
eurjchem-2634	260	20	phase	phase	NOUN
eurjchem-2634	260	21	.	.	PUNCT
eurjchem-2634	261	1	the	the	DET
eurjchem-2634	261	2	reason	reason	NOUN
eurjchem-2634	261	3	for	for	ADP
eurjchem-2634	261	4	the	the	DET
eurjchem-2634	261	5	change	change	NOUN
eurjchem-2634	261	6	in	in	ADP
eurjchem-2634	261	7	charge	charge	NOUN
eurjchem-2634	261	8	distribution	distribution	NOUN
eurjchem-2634	261	9	can	can	AUX
eurjchem-2634	261	10	be	be	AUX
eurjchem-2634	261	11	explained	explain	VERB
eurjchem-2634	261	12	as	as	ADP
eurjchem-2634	261	13	the	the	DET
eurjchem-2634	261	14	interaction	interaction	NOUN
eurjchem-2634	261	15	between	between	ADP
eurjchem-2634	261	16	the	the	DET
eurjchem-2634	261	17	solvent	solvent	NOUN
eurjchem-2634	261	18	and	and	CCONJ
eurjchem-2634	261	19	the	the	DET
eurjchem-2634	261	20	solute	solute	NOUN
eurjchem-2634	261	21	that	that	PRON
eurjchem-2634	261	22	is	be	AUX
eurjchem-2634	261	23	affected	affect	VERB
eurjchem-2634	261	24	by	by	ADP
eurjchem-2634	261	25	hydrogen	hydrogen	NOUN
eurjchem-2634	261	26	bonds	bond	NOUN
eurjchem-2634	261	27	and	and	CCONJ
eurjchem-2634	261	28	dipole	dipole	NOUN
eurjchem-2634	261	29	-	-	PUNCT
eurjchem-2634	261	30	dipole	dipole	NOUN
eurjchem-2634	261	31	interactions	interaction	NOUN
eurjchem-2634	261	32	[	[	X
eurjchem-2634	261	33	34	34	NUM
eurjchem-2634	261	34	]	]	PUNCT
eurjchem-2634	261	35	.	.	PUNCT
eurjchem-2634	262	1	when	when	SCONJ
eurjchem-2634	262	2	the	the	DET
eurjchem-2634	262	3	maps	map	NOUN
eurjchem-2634	262	4	designed	design	VERB
eurjchem-2634	262	5	for	for	ADP
eurjchem-2634	262	6	the	the	DET
eurjchem-2634	262	7	gas	gas	NOUN
eurjchem-2634	262	8	phase	phase	NOUN
eurjchem-2634	262	9	and	and	CCONJ
eurjchem-2634	262	10	all	all	DET
eurjchem-2634	262	11	solvents	solvent	NOUN
eurjchem-2634	262	12	are	be	AUX
eurjchem-2634	262	13	examined	examine	VERB
eurjchem-2634	262	14	,	,	PUNCT
eurjchem-2634	262	15	it	it	PRON
eurjchem-2634	262	16	can	can	AUX
eurjchem-2634	262	17	be	be	AUX
eurjchem-2634	262	18	said	say	VERB
eurjchem-2634	262	19	that	that	SCONJ
eurjchem-2634	262	20	the	the	DET
eurjchem-2634	262	21	most	most	ADV
eurjchem-2634	262	22	electrophilic	electrophilic	ADJ
eurjchem-2634	262	23	regions	region	NOUN
eurjchem-2634	262	24	are	be	AUX
eurjchem-2634	262	25	the	the	DET
eurjchem-2634	262	26	o4	o4	PROPN
eurjchem-2634	262	27	,	,	PUNCT
eurjchem-2634	262	28	o3	o3	PROPN
eurjchem-2634	262	29	,	,	PUNCT
eurjchem-2634	262	30	and	and	CCONJ
eurjchem-2634	262	31	n5	n5	NUM
eurjchem-2634	262	32	atoms	atom	NOUN
eurjchem-2634	262	33	.	.	PUNCT
eurjchem-2634	263	1	3.10	3.10	NUM
eurjchem-2634	263	2	.	.	PUNCT
eurjchem-2634	263	3	charge	charge	NOUN
eurjchem-2634	263	4	analyses	analyse	VERB
eurjchem-2634	263	5	one	one	NUM
eurjchem-2634	263	6	of	of	ADP
eurjchem-2634	263	7	the	the	DET
eurjchem-2634	263	8	most	most	ADV
eurjchem-2634	263	9	common	common	ADJ
eurjchem-2634	263	10	methods	method	NOUN
eurjchem-2634	263	11	used	use	VERB
eurjchem-2634	263	12	to	to	PART
eurjchem-2634	263	13	explain	explain	VERB
eurjchem-2634	263	14	electronic	electronic	ADJ
eurjchem-2634	263	15	properties	property	NOUN
eurjchem-2634	263	16	is	be	AUX
eurjchem-2634	263	17	to	to	PART
eurjchem-2634	263	18	calculate	calculate	VERB
eurjchem-2634	263	19	the	the	DET
eurjchem-2634	263	20	charge	charge	NOUN
eurjchem-2634	263	21	values	value	NOUN
eurjchem-2634	263	22	of	of	ADP
eurjchem-2634	263	23	the	the	DET
eurjchem-2634	263	24	atoms	atom	NOUN
eurjchem-2634	263	25	of	of	ADP
eurjchem-2634	263	26	that	that	DET
eurjchem-2634	263	27	molecule	molecule	NOUN
eurjchem-2634	264	1	[	[	X
eurjchem-2634	264	2	46,47	46,47	NUM
eurjchem-2634	264	3	]	]	X
eurjchem-2634	264	4	.	.	PUNCT
eurjchem-2634	265	1	therefore	therefore	ADV
eurjchem-2634	265	2	,	,	PUNCT
eurjchem-2634	265	3	atomic	atomic	ADJ
eurjchem-2634	265	4	polar	polar	ADJ
eurjchem-2634	265	5	tensor	tensor	NOUN
eurjchem-2634	265	6	(	(	PUNCT
eurjchem-2634	265	7	apt	apt	ADJ
eurjchem-2634	265	8	)	)	PUNCT
eurjchem-2634	265	9	,	,	PUNCT
eurjchem-2634	265	10	hirshfeld	hirshfeld	NOUN
eurjchem-2634	265	11	,	,	PUNCT
eurjchem-2634	265	12	and	and	CCONJ
eurjchem-2634	265	13	nbo	nbo	PROPN
eurjchem-2634	265	14	charge	charge	NOUN
eurjchem-2634	265	15	analyzes	analyze	NOUN
eurjchem-2634	265	16	of	of	ADP
eurjchem-2634	265	17	the	the	DET
eurjchem-2634	265	18	optimized	optimize	VERB
eurjchem-2634	265	19	5,7dichloro-8	5,7dichloro-8	NUM
eurjchem-2634	265	20	-	-	PUNCT
eurjchem-2634	265	21	hydroxyquinoline-2	hydroxyquinoline-2	NUM
eurjchem-2634	265	22	-	-	PUNCT
eurjchem-2634	265	23	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	265	24	molecule	molecule	NOUN
eurjchem-2634	265	25	were	be	AUX
eurjchem-2634	265	26	calculated	calculate	VERB
eurjchem-2634	265	27	in	in	ADP
eurjchem-2634	265	28	the	the	DET
eurjchem-2634	265	29	gas	gas	NOUN
eurjchem-2634	265	30	phase	phase	NOUN
eurjchem-2634	265	31	and	and	CCONJ
eurjchem-2634	265	32	in	in	ADP
eurjchem-2634	265	33	ethanol	ethanol	NOUN
eurjchem-2634	265	34	,	,	PUNCT
eurjchem-2634	265	35	dmso	dmso	NOUN
eurjchem-2634	265	36	,	,	PUNCT
eurjchem-2634	265	37	and	and	CCONJ
eurjchem-2634	265	38	water	water	NOUN
eurjchem-2634	265	39	solvents	solvent	NOUN
eurjchem-2634	265	40	.	.	PUNCT
eurjchem-2634	266	1	the	the	DET
eurjchem-2634	266	2	charge	charge	NOUN
eurjchem-2634	266	3	values	value	NOUN
eurjchem-2634	266	4	are	be	AUX
eurjchem-2634	266	5	presented	present	VERB
eurjchem-2634	266	6	in	in	ADP
eurjchem-2634	266	7	table	table	NOUN
eurjchem-2634	266	8	7	7	NUM
eurjchem-2634	266	9	.	.	PUNCT
eurjchem-2634	267	1	in	in	ADP
eurjchem-2634	267	2	the	the	DET
eurjchem-2634	267	3	calculations	calculation	NOUN
eurjchem-2634	267	4	made	make	VERB
eurjchem-2634	267	5	in	in	ADP
eurjchem-2634	267	6	the	the	DET
eurjchem-2634	267	7	gas	gas	NOUN
eurjchem-2634	267	8	phase	phase	NOUN
eurjchem-2634	267	9	,	,	PUNCT
eurjchem-2634	267	10	the	the	DET
eurjchem-2634	267	11	o3	o3	PROPN
eurjchem-2634	267	12	,	,	PUNCT
eurjchem-2634	267	13	o4	o4	PROPN
eurjchem-2634	267	14	and	and	CCONJ
eurjchem-2634	267	15	n5	n5	PROPN
eurjchem-2634	267	16	atoms	atom	NOUN
eurjchem-2634	267	17	were	be	AUX
eurjchem-2634	267	18	found	find	VERB
eurjchem-2634	267	19	to	to	PART
eurjchem-2634	267	20	be	be	AUX
eurjchem-2634	267	21	the	the	DET
eurjchem-2634	267	22	atoms	atom	NOUN
eurjchem-2634	267	23	with	with	ADP
eurjchem-2634	267	24	the	the	DET
eurjchem-2634	267	25	most	most	ADV
eurjchem-2634	267	26	negative	negative	ADJ
eurjchem-2634	267	27	values	value	NOUN
eurjchem-2634	267	28	in	in	ADP
eurjchem-2634	267	29	all	all	DET
eurjchem-2634	267	30	charge	charge	NOUN
eurjchem-2634	267	31	analysis	analysis	NOUN
eurjchem-2634	267	32	calculations	calculation	NOUN
eurjchem-2634	267	33	.	.	PUNCT
eurjchem-2634	268	1	compared	compare	VERB
eurjchem-2634	268	2	to	to	ADP
eurjchem-2634	268	3	the	the	DET
eurjchem-2634	268	4	mep	mep	PROPN
eurjchem-2634	268	5	map	map	NOUN
eurjchem-2634	268	6	presented	present	VERB
eurjchem-2634	268	7	in	in	ADP
eurjchem-2634	268	8	figure	figure	NOUN
eurjchem-2634	268	9	8	8	NUM
eurjchem-2634	268	10	,	,	PUNCT
eurjchem-2634	268	11	the	the	DET
eurjchem-2634	268	12	results	result	NOUN
eurjchem-2634	268	13	obtained	obtain	VERB
eurjchem-2634	268	14	are	be	AUX
eurjchem-2634	268	15	quite	quite	ADV
eurjchem-2634	268	16	consistent	consistent	ADJ
eurjchem-2634	268	17	with	with	ADP
eurjchem-2634	268	18	each	each	DET
eurjchem-2634	268	19	other	other	ADJ
eurjchem-2634	268	20	.	.	PUNCT
eurjchem-2634	269	1	when	when	SCONJ
eurjchem-2634	269	2	the	the	DET
eurjchem-2634	269	3	calculations	calculation	NOUN
eurjchem-2634	269	4	made	make	VERB
eurjchem-2634	269	5	for	for	ADP
eurjchem-2634	269	6	other	other	ADJ
eurjchem-2634	269	7	solvents	solvent	NOUN
eurjchem-2634	269	8	are	be	AUX
eurjchem-2634	269	9	examined	examine	VERB
eurjchem-2634	269	10	,	,	PUNCT
eurjchem-2634	269	11	it	it	PRON
eurjchem-2634	269	12	is	be	AUX
eurjchem-2634	269	13	determined	determine	VERB
eurjchem-2634	269	14	that	that	SCONJ
eurjchem-2634	269	15	the	the	DET
eurjchem-2634	269	16	charge	charge	NOUN
eurjchem-2634	269	17	distributions	distribution	NOUN
eurjchem-2634	269	18	on	on	ADP
eurjchem-2634	269	19	the	the	DET
eurjchem-2634	269	20	atoms	atom	NOUN
eurjchem-2634	269	21	of	of	ADP
eurjchem-2634	269	22	the	the	DET
eurjchem-2634	269	23	molecule	molecule	NOUN
eurjchem-2634	269	24	change	change	NOUN
eurjchem-2634	269	25	with	with	ADP
eurjchem-2634	269	26	the	the	DET
eurjchem-2634	269	27	change	change	NOUN
eurjchem-2634	269	28	of	of	ADP
eurjchem-2634	269	29	the	the	DET
eurjchem-2634	269	30	dielectric	dielectric	ADJ
eurjchem-2634	269	31	constant	constant	NOUN
eurjchem-2634	269	32	of	of	ADP
eurjchem-2634	269	33	the	the	DET
eurjchem-2634	269	34	medium	medium	NOUN
eurjchem-2634	269	35	,	,	PUNCT
eurjchem-2634	269	36	and	and	CCONJ
eurjchem-2634	269	37	the	the	DET
eurjchem-2634	269	38	negativity	negativity	NOUN
eurjchem-2634	269	39	of	of	ADP
eurjchem-2634	269	40	the	the	DET
eurjchem-2634	269	41	o3	o3	PROPN
eurjchem-2634	269	42	,	,	PUNCT
eurjchem-2634	269	43	o4	o4	PROPN
eurjchem-2634	269	44	,	,	PUNCT
eurjchem-2634	269	45	and	and	CCONJ
eurjchem-2634	269	46	n5	n5	NOUN
eurjchem-2634	269	47	atoms	atom	NOUN
eurjchem-2634	269	48	increases	increase	NOUN
eurjchem-2634	269	49	.	.	PUNCT
eurjchem-2634	270	1	it	it	PRON
eurjchem-2634	270	2	was	be	AUX
eurjchem-2634	270	3	also	also	ADV
eurjchem-2634	270	4	determined	determine	VERB
eurjchem-2634	270	5	in	in	ADP
eurjchem-2634	270	6	the	the	DET
eurjchem-2634	270	7	mep	mep	PROPN
eurjchem-2634	270	8	map	map	NOUN
eurjchem-2634	270	9	that	that	SCONJ
eurjchem-2634	270	10	the	the	DET
eurjchem-2634	270	11	negative	negative	ADJ
eurjchem-2634	270	12	and	and	CCONJ
eurjchem-2634	270	13	positive	positive	ADJ
eurjchem-2634	270	14	values	value	NOUN
eurjchem-2634	270	15	in	in	ADP
eurjchem-2634	270	16	the	the	DET
eurjchem-2634	270	17	electron	electron	NOUN
eurjchem-2634	270	18	150	150	NUM
eurjchem-2634	270	19	200	200	NUM
eurjchem-2634	270	20	250	250	NUM
eurjchem-2634	270	21	300	300	NUM
eurjchem-2634	270	22	350	350	NUM
eurjchem-2634	270	23	400	400	NUM
eurjchem-2634	270	24	450	450	NUM
eurjchem-2634	270	25	500	500	NUM
eurjchem-2634	270	26	ab	ab	NOUN
eurjchem-2634	270	27	so	so	ADV
eurjchem-2634	270	28	rb	rb	PROPN
eurjchem-2634	270	29	an	an	DET
eurjchem-2634	270	30	ce	ce	PROPN
eurjchem-2634	270	31	wavelength	wavelength	NOUN
eurjchem-2634	270	32	(	(	PUNCT
eurjchem-2634	270	33	nm	nm	NOUN
eurjchem-2634	270	34	)	)	PUNCT
eurjchem-2634	270	35	dmso	dmso	ADJ
eurjchem-2634	270	36	ethanol	ethanol	NOUN
eurjchem-2634	270	37	water	water	NOUN
eurjchem-2634	270	38	78	78	NUM
eurjchem-2634	270	39	ceyhun	ceyhun	NOUN
eurjchem-2634	270	40	kucuk	kucuk	NOUN
eurjchem-2634	270	41	/	/	SYM
eurjchem-2634	270	42	european	european	PROPN
eurjchem-2634	270	43	journal	journal	PROPN
eurjchem-2634	270	44	of	of	ADP
eurjchem-2634	270	45	chemistry	chemistry	NOUN
eurjchem-2634	270	46	16	16	NUM
eurjchem-2634	270	47	(	(	PUNCT
eurjchem-2634	270	48	1	1	NUM
eurjchem-2634	270	49	)	)	PUNCT
eurjchem-2634	270	50	(	(	PUNCT
eurjchem-2634	270	51	2025	2025	NUM
eurjchem-2634	270	52	)	)	PUNCT
eurjchem-2634	270	53	70	70	NUM
eurjchem-2634	270	54	-	-	SYM
eurjchem-2634	270	55	82	82	NUM
eurjchem-2634	270	56	2025	2025	NUM
eurjchem-2634	270	57	–	–	PUNCT
eurjchem-2634	270	58	european	european	ADJ
eurjchem-2634	270	59	journal	journal	NOUN
eurjchem-2634	270	60	of	of	ADP
eurjchem-2634	270	61	chemistry	chemistry	NOUN
eurjchem-2634	270	62	–	–	PUNCT
eurjchem-2634	270	63	cc	cc	NOUN
eurjchem-2634	270	64	by	by	ADP
eurjchem-2634	270	65	nc	nc	PROPN
eurjchem-2634	270	66	–	–	PUNCT
eurjchem-2634	270	67	doi	doi	NOUN
eurjchem-2634	270	68	:	:	PUNCT
eurjchem-2634	270	69	10.5155	10.5155	NUM
eurjchem-2634	270	70	/	/	SYM
eurjchem-2634	270	71	eurjchem.16.1.70	eurjchem.16.1.70	SYM
eurjchem-2634	270	72	-	-	PUNCT
eurjchem-2634	270	73	82.2634	82.2634	NUM
eurjchem-2634	270	74	table	table	NOUN
eurjchem-2634	270	75	7	7	NUM
eurjchem-2634	270	76	.	.	PUNCT
eurjchem-2634	270	77	charge	charge	NOUN
eurjchem-2634	270	78	values	value	NOUN
eurjchem-2634	270	79	of	of	ADP
eurjchem-2634	270	80	the	the	DET
eurjchem-2634	270	81	5,7	5,7	NUM
eurjchem-2634	270	82	-	-	PUNCT
eurjchem-2634	270	83	dichloro-8	dichloro-8	VERB
eurjchem-2634	270	84	-	-	PUNCT
eurjchem-2634	270	85	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	270	86	-	-	PUNCT
eurjchem-2634	270	87	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	270	88	molecule	molecule	NOUN
eurjchem-2634	270	89	.	.	PUNCT
eurjchem-2634	271	1	atoms	atom	NOUN
eurjchem-2634	271	2	gas	gas	NOUN
eurjchem-2634	271	3	ε	ε	NOUN
eurjchem-2634	271	4	=	=	SYM
eurjchem-2634	271	5	1	1	NUM
eurjchem-2634	271	6	ethanol	ethanol	NOUN
eurjchem-2634	271	7	ε	ε	NOUN
eurjchem-2634	271	8	=	=	SYM
eurjchem-2634	271	9	24.3	24.3	NUM
eurjchem-2634	271	10	dmso	dmso	NOUN
eurjchem-2634	271	11	ε	ε	PROPN
eurjchem-2634	271	12	=	=	SYM
eurjchem-2634	271	13	46.8	46.8	NUM
eurjchem-2634	271	14	water	water	NOUN
eurjchem-2634	271	15	ε	ε	NOUN
eurjchem-2634	271	16	=	=	PUNCT
eurjchem-2634	271	17	78.3	78.3	NUM
eurjchem-2634	271	18	apt	apt	ADJ
eurjchem-2634	271	19	hirshfeld	hirshfeld	PROPN
eurjchem-2634	271	20	nbo	nbo	PROPN
eurjchem-2634	271	21	apt	apt	PROPN
eurjchem-2634	271	22	hirshfeld	hirshfeld	PROPN
eurjchem-2634	271	23	nbo	nbo	PROPN
eurjchem-2634	271	24	apt	apt	PROPN
eurjchem-2634	271	25	hirshfeld	hirshfeld	PROPN
eurjchem-2634	271	26	nbo	nbo	PROPN
eurjchem-2634	271	27	apt	apt	PROPN
eurjchem-2634	271	28	hirshfeld	hirshfeld	PROPN
eurjchem-2634	271	29	nbo	nbo	PROPN
eurjchem-2634	271	30	cl1	cl1	PROPN
eurjchem-2634	271	31	-0.314	-0.314	VERB
eurjchem-2634	271	32	-0.042	-0.042	X
eurjchem-2634	271	33	0.030	0.030	NUM
eurjchem-2634	271	34	-0.431	-0.431	NOUN
eurjchem-2634	271	35	-0.035	-0.035	PROPN
eurjchem-2634	271	36	0.028	0.028	NUM
eurjchem-2634	271	37	-0.435	-0.435	PUNCT
eurjchem-2634	271	38	-0.035	-0.035	PROPN
eurjchem-2634	271	39	0.028	0.028	NUM
eurjchem-2634	271	40	-0.437	-0.437	NUM
eurjchem-2634	271	41	-0.035	-0.035	X
eurjchem-2634	271	42	0.028	0.028	NUM
eurjchem-2634	271	43	cl2	cl2	PROPN
eurjchem-2634	271	44	-0.331	-0.331	NUM
eurjchem-2634	271	45	-0.033	-0.033	NUM
eurjchem-2634	271	46	0.034	0.034	NUM
eurjchem-2634	271	47	-0.453	-0.453	NUM
eurjchem-2634	271	48	-0.002	-0.002	PUNCT
eurjchem-2634	271	49	0.042	0.042	NUM
eurjchem-2634	271	50	-0.457	-0.457	SYM
eurjchem-2634	271	51	-0.001	-0.001	X
eurjchem-2634	271	52	0.043	0.043	NUM
eurjchem-2634	271	53	-0.459	-0.459	NUM
eurjchem-2634	271	54	-0.001	-0.001	NUM
eurjchem-2634	271	55	0.043	0.043	NUM
eurjchem-2634	271	56	o3	o3	PROPN
eurjchem-2634	271	57	-0.686	-0.686	PUNCT
eurjchem-2634	271	58	-0.172	-0.172	NOUN
eurjchem-2634	271	59	-0.645	-0.645	NOUN
eurjchem-2634	271	60	-0.960	-0.960	PUNCT
eurjchem-2634	271	61	-0.199	-0.199	SYM
eurjchem-2634	271	62	-0.667	-0.667	ADJ
eurjchem-2634	271	63	-0.972	-0.972	PUNCT
eurjchem-2634	271	64	-0.200	-0.200	X
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eurjchem-2634	282	33	program	program	NOUN
eurjchem-2634	282	34	[	[	X
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eurjchem-2634	282	36	]	]	PUNCT
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eurjchem-2634	284	9	that	that	PRON
eurjchem-2634	284	10	is	be	AUX
eurjchem-2634	284	11	similar	similar	ADJ
eurjchem-2634	284	12	because	because	SCONJ
eurjchem-2634	284	13	of	of	ADP
eurjchem-2634	284	14	their	their	PRON
eurjchem-2634	284	15	dependence	dependence	NOUN
eurjchem-2634	284	16	on	on	ADP
eurjchem-2634	284	17	the	the	DET
eurjchem-2634	284	18	kinetic	kinetic	ADJ
eurjchem-2634	284	19	energy	energy	NOUN
eurjchem-2634	284	20	density	density	NOUN
eurjchem-2634	284	21	.	.	PUNCT
eurjchem-2634	285	1	however	however	ADV
eurjchem-2634	285	2	,	,	PUNCT
eurjchem-2634	285	3	elf	elf	PRON
eurjchem-2634	285	4	is	be	AUX
eurjchem-2634	285	5	derived	derive	VERB
eurjchem-2634	285	6	from	from	ADP
eurjchem-2634	285	7	the	the	DET
eurjchem-2634	285	8	density	density	NOUN
eurjchem-2634	285	9	of	of	ADP
eurjchem-2634	285	10	electron	electron	NOUN
eurjchem-2634	285	11	pairs	pair	NOUN
eurjchem-2634	285	12	,	,	PUNCT
eurjchem-2634	285	13	while	while	SCONJ
eurjchem-2634	285	14	lol	lol	ADJ
eurjchem-2634	285	15	is	be	AUX
eurjchem-2634	285	16	typically	typically	ADV
eurjchem-2634	285	17	observed	observe	VERB
eurjchem-2634	285	18	when	when	SCONJ
eurjchem-2634	285	19	localized	localized	ADJ
eurjchem-2634	285	20	orbitals	orbital	NOUN
eurjchem-2634	285	21	overlap	overlap	VERB
eurjchem-2634	285	22	,	,	PUNCT
eurjchem-2634	285	23	resulting	result	VERB
eurjchem-2634	285	24	in	in	ADP
eurjchem-2634	285	25	high	high	ADJ
eurjchem-2634	285	26	gradients	gradient	NOUN
eurjchem-2634	285	27	of	of	ADP
eurjchem-2634	285	28	localized	localized	ADJ
eurjchem-2634	285	29	orbitals	orbital	NOUN
eurjchem-2634	285	30	[	[	X
eurjchem-2634	285	31	48	48	NUM
eurjchem-2634	285	32	]	]	PUNCT
eurjchem-2634	285	33	.	.	PUNCT
eurjchem-2634	286	1	elf	elf	PRON
eurjchem-2634	286	2	and	and	CCONJ
eurjchem-2634	286	3	lol	lol	VERB
eurjchem-2634	286	4	images	image	NOUN
eurjchem-2634	286	5	of	of	ADP
eurjchem-2634	286	6	the	the	DET
eurjchem-2634	286	7	title	title	NOUN
eurjchem-2634	286	8	molecule	molecule	NOUN
eurjchem-2634	286	9	are	be	AUX
eurjchem-2634	286	10	depicted	depict	VERB
eurjchem-2634	286	11	in	in	ADP
eurjchem-2634	286	12	a	a	DET
eurjchem-2634	286	13	color	color	NOUN
eurjchem-2634	286	14	tint	tint	NOUN
eurjchem-2634	286	15	map	map	NOUN
eurjchem-2634	286	16	and	and	CCONJ
eurjchem-2634	286	17	contour	contour	NOUN
eurjchem-2634	286	18	map	map	NOUN
eurjchem-2634	286	19	in	in	ADP
eurjchem-2634	286	20	the	the	DET
eurjchem-2634	286	21	ranges	range	NOUN
eurjchem-2634	286	22	of	of	ADP
eurjchem-2634	286	23	0.0	0.0	NUM
eurjchem-2634	286	24	to	to	PART
eurjchem-2634	286	25	1.0	1.0	NUM
eurjchem-2634	286	26	and	and	CCONJ
eurjchem-2634	286	27	0.0	0.0	NUM
eurjchem-2634	286	28	to	to	PART
eurjchem-2634	286	29	0.8	0.8	NUM
eurjchem-2634	286	30	,	,	PUNCT
eurjchem-2634	286	31	respectively	respectively	ADV
eurjchem-2634	286	32	,	,	PUNCT
eurjchem-2634	286	33	in	in	ADP
eurjchem-2634	286	34	figures	figure	NOUN
eurjchem-2634	286	35	9	9	NUM
eurjchem-2634	286	36	and	and	CCONJ
eurjchem-2634	286	37	10	10	NUM
eurjchem-2634	286	38	.	.	PUNCT
eurjchem-2634	287	1	the	the	DET
eurjchem-2634	287	2	interval	interval	NOUN
eurjchem-2634	287	3	of	of	ADP
eurjchem-2634	287	4	0.5	0.5	NUM
eurjchem-2634	287	5	-	-	SYM
eurjchem-2634	287	6	1.0	1.0	NUM
eurjchem-2634	287	7	is	be	AUX
eurjchem-2634	287	8	characterized	characterize	VERB
eurjchem-2634	287	9	by	by	ADP
eurjchem-2634	287	10	the	the	DET
eurjchem-2634	287	11	presence	presence	NOUN
eurjchem-2634	287	12	of	of	ADP
eurjchem-2634	287	13	localized	localized	ADJ
eurjchem-2634	287	14	electrons	electron	NOUN
eurjchem-2634	287	15	that	that	PRON
eurjchem-2634	287	16	are	be	AUX
eurjchem-2634	287	17	both	both	PRON
eurjchem-2634	287	18	bonding	bond	VERB
eurjchem-2634	287	19	and	and	CCONJ
eurjchem-2634	287	20	nonbonding	nonbonding	NOUN
eurjchem-2634	287	21	,	,	PUNCT
eurjchem-2634	287	22	while	while	SCONJ
eurjchem-2634	287	23	delocalized	delocalized	ADJ
eurjchem-2634	287	24	electrons	electron	NOUN
eurjchem-2634	287	25	are	be	AUX
eurjchem-2634	287	26	anticipated	anticipate	VERB
eurjchem-2634	287	27	in	in	ADP
eurjchem-2634	287	28	the	the	DET
eurjchem-2634	287	29	smaller	small	ADJ
eurjchem-2634	287	30	interval	interval	NOUN
eurjchem-2634	287	31	(	(	PUNCT
eurjchem-2634	287	32	<	<	X
eurjchem-2634	287	33	0.5	0.5	NUM
eurjchem-2634	287	34	)	)	PUNCT
eurjchem-2634	288	1	[	[	X
eurjchem-2634	288	2	49	49	NUM
eurjchem-2634	288	3	]	]	PUNCT
eurjchem-2634	288	4	.	.	PUNCT
eurjchem-2634	289	1	when	when	SCONJ
eurjchem-2634	289	2	the	the	DET
eurjchem-2634	289	3	elf	elf	NOUN
eurjchem-2634	289	4	maps	map	NOUN
eurjchem-2634	289	5	designed	design	VERB
eurjchem-2634	289	6	for	for	ADP
eurjchem-2634	289	7	the	the	DET
eurjchem-2634	289	8	gas	gas	NOUN
eurjchem-2634	289	9	phase	phase	NOUN
eurjchem-2634	289	10	and	and	CCONJ
eurjchem-2634	289	11	other	other	ADJ
eurjchem-2634	289	12	solvents	solvent	NOUN
eurjchem-2634	289	13	are	be	AUX
eurjchem-2634	289	14	examined	examine	VERB
eurjchem-2634	289	15	,	,	PUNCT
eurjchem-2634	289	16	it	it	PRON
eurjchem-2634	289	17	is	be	AUX
eurjchem-2634	289	18	seen	see	VERB
eurjchem-2634	289	19	that	that	SCONJ
eurjchem-2634	289	20	the	the	DET
eurjchem-2634	289	21	bound	bind	VERB
eurjchem-2634	289	22	and	and	CCONJ
eurjchem-2634	289	23	unbound	unbound	NOUN
eurjchem-2634	289	24	localized	localize	VERB
eurjchem-2634	289	25	electrons	electron	NOUN
eurjchem-2634	289	26	are	be	AUX
eurjchem-2634	289	27	concentrated	concentrate	VERB
eurjchem-2634	289	28	,	,	PUNCT
eurjchem-2634	289	29	especially	especially	ADV
eurjchem-2634	289	30	on	on	ADP
eurjchem-2634	289	31	the	the	DET
eurjchem-2634	289	32	h16	h16	PROPN
eurjchem-2634	289	33	,	,	PUNCT
eurjchem-2634	289	34	h17	h17	PROPN
eurjchem-2634	289	35	,	,	PUNCT
eurjchem-2634	289	36	h18	h18	NOUN
eurjchem-2634	289	37	,	,	PUNCT
eurjchem-2634	289	38	ceyhun	ceyhun	NOUN
eurjchem-2634	289	39	kucuk	kucuk	NOUN
eurjchem-2634	289	40	/	/	SYM
eurjchem-2634	289	41	european	european	PROPN
eurjchem-2634	289	42	journal	journal	PROPN
eurjchem-2634	289	43	of	of	ADP
eurjchem-2634	289	44	chemistry	chemistry	NOUN
eurjchem-2634	289	45	16	16	NUM
eurjchem-2634	289	46	(	(	PUNCT
eurjchem-2634	289	47	1	1	NUM
eurjchem-2634	289	48	)	)	PUNCT
eurjchem-2634	289	49	(	(	PUNCT
eurjchem-2634	289	50	2025	2025	NUM
eurjchem-2634	289	51	)	)	PUNCT
eurjchem-2634	289	52	70	70	NUM
eurjchem-2634	289	53	-	-	SYM
eurjchem-2634	289	54	82	82	NUM
eurjchem-2634	289	55	79	79	NUM
eurjchem-2634	289	56	2025	2025	NUM
eurjchem-2634	289	57	–	–	PUNCT
eurjchem-2634	289	58	european	european	ADJ
eurjchem-2634	289	59	journal	journal	NOUN
eurjchem-2634	289	60	of	of	ADP
eurjchem-2634	289	61	chemistry	chemistry	NOUN
eurjchem-2634	289	62	–	–	PUNCT
eurjchem-2634	289	63	cc	cc	NOUN
eurjchem-2634	289	64	by	by	ADP
eurjchem-2634	289	65	nc	nc	PROPN
eurjchem-2634	289	66	–	–	PUNCT
eurjchem-2634	289	67	doi	doi	NOUN
eurjchem-2634	289	68	:	:	PUNCT
eurjchem-2634	289	69	10.5155	10.5155	NUM
eurjchem-2634	289	70	/	/	SYM
eurjchem-2634	289	71	eurjchem.16.1.70	eurjchem.16.1.70	SYM
eurjchem-2634	289	72	-	-	PUNCT
eurjchem-2634	289	73	82.2634	82.2634	NUM
eurjchem-2634	289	74	figure	figure	NOUN
eurjchem-2634	289	75	9	9	NUM
eurjchem-2634	289	76	.	.	PUNCT
eurjchem-2634	290	1	elf	elf	NUM
eurjchem-2634	290	2	maps	map	NOUN
eurjchem-2634	290	3	of	of	ADP
eurjchem-2634	290	4	the	the	DET
eurjchem-2634	290	5	5,7	5,7	NUM
eurjchem-2634	290	6	-	-	PUNCT
eurjchem-2634	290	7	dichloro-8	dichloro-8	VERB
eurjchem-2634	290	8	-	-	PUNCT
eurjchem-2634	290	9	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	290	10	-	-	PUNCT
eurjchem-2634	290	11	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	290	12	molecule	molecule	NOUN
eurjchem-2634	290	13	.	.	PUNCT
eurjchem-2634	291	1	figure	figure	NOUN
eurjchem-2634	291	2	10	10	NUM
eurjchem-2634	291	3	.	.	PUNCT
eurjchem-2634	292	1	lol	lol	ADJ
eurjchem-2634	292	2	maps	map	NOUN
eurjchem-2634	292	3	of	of	ADP
eurjchem-2634	292	4	the	the	DET
eurjchem-2634	292	5	5,7	5,7	NUM
eurjchem-2634	292	6	-	-	PUNCT
eurjchem-2634	292	7	dichloro-8	dichloro-8	VERB
eurjchem-2634	292	8	-	-	PUNCT
eurjchem-2634	292	9	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	292	10	-	-	PUNCT
eurjchem-2634	292	11	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	292	12	molecule	molecule	NOUN
eurjchem-2634	292	13	.	.	PUNCT
eurjchem-2634	293	1	80	80	NUM
eurjchem-2634	293	2	ceyhun	ceyhun	NOUN
eurjchem-2634	293	3	kucuk	kucuk	NOUN
eurjchem-2634	293	4	/	/	SYM
eurjchem-2634	293	5	european	european	PROPN
eurjchem-2634	293	6	journal	journal	PROPN
eurjchem-2634	293	7	of	of	ADP
eurjchem-2634	293	8	chemistry	chemistry	NOUN
eurjchem-2634	293	9	16	16	NUM
eurjchem-2634	293	10	(	(	PUNCT
eurjchem-2634	293	11	1	1	NUM
eurjchem-2634	293	12	)	)	PUNCT
eurjchem-2634	293	13	(	(	PUNCT
eurjchem-2634	293	14	2025	2025	NUM
eurjchem-2634	293	15	)	)	PUNCT
eurjchem-2634	293	16	70	70	NUM
eurjchem-2634	293	17	-	-	SYM
eurjchem-2634	293	18	82	82	NUM
eurjchem-2634	293	19	2025	2025	NUM
eurjchem-2634	293	20	–	–	PUNCT
eurjchem-2634	293	21	european	european	ADJ
eurjchem-2634	293	22	journal	journal	NOUN
eurjchem-2634	293	23	of	of	ADP
eurjchem-2634	293	24	chemistry	chemistry	NOUN
eurjchem-2634	293	25	–	–	PUNCT
eurjchem-2634	293	26	cc	cc	NOUN
eurjchem-2634	293	27	by	by	ADP
eurjchem-2634	293	28	nc	nc	PROPN
eurjchem-2634	293	29	–	–	PUNCT
eurjchem-2634	293	30	doi	doi	NOUN
eurjchem-2634	293	31	:	:	PUNCT
eurjchem-2634	293	32	10.5155	10.5155	NUM
eurjchem-2634	293	33	/	/	SYM
eurjchem-2634	293	34	eurjchem.16.1.70	eurjchem.16.1.70	SYM
eurjchem-2634	293	35	-	-	PUNCT
eurjchem-2634	293	36	82.2634	82.2634	NUM
eurjchem-2634	293	37	table	table	NOUN
eurjchem-2634	293	38	8	8	NUM
eurjchem-2634	293	39	.	.	PUNCT
eurjchem-2634	294	1	the	the	DET
eurjchem-2634	294	2	electric	electric	ADJ
eurjchem-2634	294	3	dipole	dipole	NOUN
eurjchem-2634	294	4	moment	moment	NOUN
eurjchem-2634	294	5	μ	μ	PROPN
eurjchem-2634	294	6	(	(	PUNCT
eurjchem-2634	294	7	debye	debye	PROPN
eurjchem-2634	294	8	)	)	PUNCT
eurjchem-2634	294	9	,	,	PUNCT
eurjchem-2634	294	10	average	average	ADJ
eurjchem-2634	294	11	polarizability	polarizability	NOUN
eurjchem-2634	294	12	ᾱ	ᾱ	NOUN
eurjchem-2634	294	13	,	,	PUNCT
eurjchem-2634	294	14	anisotropy	anisotropy	NOUN
eurjchem-2634	294	15	of	of	ADP
eurjchem-2634	294	16	polarizability	polarizability	NOUN
eurjchem-2634	294	17	δα	δα	PRON
eurjchem-2634	294	18	(	(	PUNCT
eurjchem-2634	294	19	10−24	10−24	PROPN
eurjchem-2634	294	20	esu	esu	NOUN
eurjchem-2634	294	21	)	)	PUNCT
eurjchem-2634	294	22	,	,	PUNCT
eurjchem-2634	294	23	and	and	CCONJ
eurjchem-2634	294	24	first	first	ADJ
eurjchem-2634	294	25	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2634	294	26	β	β	X
eurjchem-2634	294	27	(	(	PUNCT
eurjchem-2634	294	28	10−30	10−30	PROPN
eurjchem-2634	294	29	esu	esu	NOUN
eurjchem-2634	294	30	)	)	PUNCT
eurjchem-2634	294	31	of	of	ADP
eurjchem-2634	294	32	the	the	DET
eurjchem-2634	294	33	5,7	5,7	NUM
eurjchem-2634	294	34	-	-	PUNCT
eurjchem-2634	294	35	dichloro-8	dichloro-8	VERB
eurjchem-2634	294	36	-	-	PUNCT
eurjchem-2634	294	37	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	294	38	-	-	PUNCT
eurjchem-2634	294	39	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	294	40	molecule	molecule	NOUN
eurjchem-2634	294	41	in	in	ADP
eurjchem-2634	294	42	the	the	DET
eurjchem-2634	294	43	gas	gas	NOUN
eurjchem-2634	294	44	phase	phase	NOUN
eurjchem-2634	294	45	and	and	CCONJ
eurjchem-2634	294	46	solvents	solvent	NOUN
eurjchem-2634	294	47	.	.	PUNCT
eurjchem-2634	295	1	parameters	parameter	NOUN
eurjchem-2634	295	2	gas	gas	NOUN
eurjchem-2634	295	3	ε	ε	PROPN
eurjchem-2634	295	4	=	=	SYM
eurjchem-2634	295	5	1	1	NUM
eurjchem-2634	295	6	ethanol	ethanol	NOUN
eurjchem-2634	295	7	ε	ε	NOUN
eurjchem-2634	295	8	=	=	SYM
eurjchem-2634	295	9	24.3	24.3	NUM
eurjchem-2634	295	10	dmso	dmso	NOUN
eurjchem-2634	295	11	ε	ε	PROPN
eurjchem-2634	295	12	=	=	SYM
eurjchem-2634	295	13	46.8	46.8	NUM
eurjchem-2634	295	14	water	water	NOUN
eurjchem-2634	295	15	ε	ε	NOUN
eurjchem-2634	295	16	=	=	SYM
eurjchem-2634	295	17	78.3	78.3	NUM
eurjchem-2634	295	18	μx	μx	NOUN
eurjchem-2634	295	19	-1.332	-1.332	PROPN
eurjchem-2634	295	20	-4.422	-4.422	X
eurjchem-2634	295	21	-4.458	-4.458	PROPN
eurjchem-2634	295	22	-4.475	-4.475	NUM
eurjchem-2634	295	23	μy	μy	NOUN
eurjchem-2634	295	24	0.260	0.260	NUM
eurjchem-2634	295	25	1.077	1.077	NUM
eurjchem-2634	295	26	1.097	1.097	NUM
eurjchem-2634	295	27	1.107	1.107	NUM
eurjchem-2634	295	28	μz	μz	ADP
eurjchem-2634	295	29	0.303	0.303	NUM
eurjchem-2634	295	30	0.000	0.000	NUM
eurjchem-2634	295	31	0.000	0.000	NUM
eurjchem-2634	295	32	0.00009	0.00009	NUM
eurjchem-2634	295	33	μ	μ	NOUN
eurjchem-2634	295	34	1.332	1.332	NUM
eurjchem-2634	295	35	4.550	4.550	NUM
eurjchem-2634	295	36	4.591	4.591	NUM
eurjchem-2634	295	37	4.611	4.611	NUM
eurjchem-2634	295	38	αxx	αxx	NOUN
eurjchem-2634	295	39	36.237	36.237	NUM
eurjchem-2634	295	40	51.005	51.005	NUM
eurjchem-2634	295	41	51.533	51.533	NUM
eurjchem-2634	295	42	51.78	51.78	NUM
eurjchem-2634	295	43	αyx	αyx	NOUN
eurjchem-2634	295	44	0.528	0.528	NUM
eurjchem-2634	295	45	0.865	0.865	NUM
eurjchem-2634	295	46	0.875	0.875	NUM
eurjchem-2634	295	47	0.881	0.881	NUM
eurjchem-2634	295	48	αyy	αyy	NOUN
eurjchem-2634	295	49	26.42	26.42	NUM
eurjchem-2634	295	50	36.787	36.787	NUM
eurjchem-2634	295	51	37.187	37.187	NUM
eurjchem-2634	295	52	37.373	37.373	NUM
eurjchem-2634	295	53	αzx	αzx	NOUN
eurjchem-2634	295	54	0.00033	0.00033	NUM
eurjchem-2634	295	55	0.00051	0.00051	NUM
eurjchem-2634	295	56	0.00051	0.00051	NUM
eurjchem-2634	295	57	0.00051	0.00051	NUM
eurjchem-2634	295	58	αzy	αzy	NOUN
eurjchem-2634	295	59	-0.00025	-0.00025	NOUN
eurjchem-2634	295	60	-0.00037	-0.00037	PROPN
eurjchem-2634	295	61	-0.00038	-0.00038	NOUN
eurjchem-2634	295	62	-0.00038	-0.00038	PROPN
eurjchem-2634	295	63	αzz	αzz	PROPN
eurjchem-2634	295	64	11.308	11.308	NUM
eurjchem-2634	295	65	15.033	15.033	NUM
eurjchem-2634	295	66	15.251	15.251	NUM
eurjchem-2634	295	67	15.356	15.356	NUM
eurjchem-2634	295	68	ᾱ	ᾱ	NOUN
eurjchem-2634	295	69	24.655	24.655	NUM
eurjchem-2634	295	70	34.275	34.275	NUM
eurjchem-2634	295	71	34.657	34.657	NUM
eurjchem-2634	295	72	34.836	34.836	NUM
eurjchem-2634	295	73	δα	δα	ADP
eurjchem-2634	295	74	21.770	21.770	NUM
eurjchem-2634	295	75	31.415	31.415	NUM
eurjchem-2634	295	76	31.686	31.686	NUM
eurjchem-2634	295	77	31.809	31.809	NUM
eurjchem-2634	295	78	βxxx	βxxx	NOUN
eurjchem-2634	295	79	10.478	10.478	NUM
eurjchem-2634	295	80	33.571	33.571	NUM
eurjchem-2634	295	81	34.733	34.733	NUM
eurjchem-2634	295	82	35.283	35.283	NUM
eurjchem-2634	295	83	βxxy	βxxy	NOUN
eurjchem-2634	295	84	-0.304	-0.304	NOUN
eurjchem-2634	295	85	-0.792	-0.792	PUNCT
eurjchem-2634	295	86	-0.802	-0.802	NOUN
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eurjchem-2634	297	49	2	2	NUM
eurjchem-2634	297	50	2	2	NUM
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eurjchem-2634	300	1	+	+	PUNCT
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eurjchem-2634	301	5	)	)	PUNCT
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eurjchem-2634	301	7	2	2	NUM
eurjchem-2634	301	8	2	2	NUM
eurjchem-2634	301	9	2	2	NUM
eurjchem-2634	301	10	2	2	NUM
eurjchem-2634	301	11	2	2	NUM
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eurjchem-2634	301	14	(	(	PUNCT
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eurjchem-2634	301	17	)	)	PUNCT
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eurjchem-2634	301	19	)	)	PUNCT
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eurjchem-2634	312	9	2	2	NUM
eurjchem-2634	312	10	2	2	NUM
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eurjchem-2634	313	2	(	(	PUNCT
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eurjchem-2634	316	1	+	+	PUNCT
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eurjchem-2634	327	19	value	value	NOUN
eurjchem-2634	327	20	to	to	ADP
eurjchem-2634	327	21	the	the	DET
eurjchem-2634	327	22	alteration	alteration	NOUN
eurjchem-2634	327	23	in	in	ADP
eurjchem-2634	327	24	the	the	DET
eurjchem-2634	327	25	conjugation	conjugation	NOUN
eurjchem-2634	327	26	length	length	NOUN
eurjchem-2634	327	27	.	.	PUNCT
eurjchem-2634	328	1	increasing	increase	VERB
eurjchem-2634	328	2	or	or	CCONJ
eurjchem-2634	328	3	decreasing	decrease	VERB
eurjchem-2634	328	4	conjugation	conjugation	NOUN
eurjchem-2634	328	5	length	length	NOUN
eurjchem-2634	328	6	can	can	AUX
eurjchem-2634	328	7	change	change	VERB
eurjchem-2634	328	8	the	the	DET
eurjchem-2634	328	9	strength	strength	NOUN
eurjchem-2634	328	10	of	of	ADP
eurjchem-2634	328	11	second	second	ADJ
eurjchem-2634	328	12	-	-	PUNCT
eurjchem-2634	328	13	order	order	NOUN
eurjchem-2634	328	14	nonlinear	nonlinear	ADJ
eurjchem-2634	328	15	optical	optical	ADJ
eurjchem-2634	328	16	(	(	PUNCT
eurjchem-2634	328	17	nlo	nlo	PROPN
eurjchem-2634	328	18	)	)	PUNCT
eurjchem-2634	328	19	responses	response	NOUN
eurjchem-2634	328	20	[	[	X
eurjchem-2634	328	21	52	52	NUM
eurjchem-2634	328	22	]	]	PUNCT
eurjchem-2634	328	23	.	.	PUNCT
eurjchem-2634	329	1	the	the	DET
eurjchem-2634	329	2	permanent	permanent	ADJ
eurjchem-2634	329	3	dipole	dipole	NOUN
eurjchem-2634	329	4	moment	moment	NOUN
eurjchem-2634	329	5	(	(	PUNCT
eurjchem-2634	329	6	µ	µ	NOUN
eurjchem-2634	329	7	)	)	PUNCT
eurjchem-2634	329	8	,	,	PUNCT
eurjchem-2634	329	9	average	average	ADJ
eurjchem-2634	329	10	polarizability	polarizability	NOUN
eurjchem-2634	329	11	,	,	PUNCT
eurjchem-2634	329	12	the	the	DET
eurjchem-2634	329	13	anisotropy	anisotropy	NOUN
eurjchem-2634	329	14	of	of	ADP
eurjchem-2634	329	15	the	the	DET
eurjchem-2634	329	16	polarizability	polarizability	NOUN
eurjchem-2634	329	17	,	,	PUNCT
eurjchem-2634	329	18	and	and	CCONJ
eurjchem-2634	329	19	the	the	DET
eurjchem-2634	329	20	first	first	ADJ
eurjchem-2634	329	21	-	-	PUNCT
eurjchem-2634	329	22	order	order	NOUN
eurjchem-2634	329	23	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2634	329	24	values	value	NOUN
eurjchem-2634	329	25	were	be	AUX
eurjchem-2634	329	26	calculated	calculate	VERB
eurjchem-2634	329	27	using	use	VERB
eurjchem-2634	329	28	equations	equation	NOUN
eurjchem-2634	329	29	2	2	NUM
eurjchem-2634	329	30	-	-	SYM
eurjchem-2634	329	31	4	4	NUM
eurjchem-2634	330	1	[	[	X
eurjchem-2634	330	2	53,54	53,54	NUM
eurjchem-2634	330	3	]	]	PUNCT
eurjchem-2634	330	4	.	.	PUNCT
eurjchem-2634	331	1	table	table	NOUN
eurjchem-2634	331	2	8	8	NUM
eurjchem-2634	331	3	presents	present	VERB
eurjchem-2634	331	4	the	the	DET
eurjchem-2634	331	5	results	result	NOUN
eurjchem-2634	331	6	obtained	obtain	VERB
eurjchem-2634	331	7	for	for	ADP
eurjchem-2634	331	8	the	the	DET
eurjchem-2634	331	9	gas	gas	NOUN
eurjchem-2634	331	10	phase	phase	NOUN
eurjchem-2634	331	11	,	,	PUNCT
eurjchem-2634	331	12	ethanol	ethanol	NOUN
eurjchem-2634	331	13	,	,	PUNCT
eurjchem-2634	331	14	dmso	dmso	NOUN
eurjchem-2634	331	15	,	,	PUNCT
eurjchem-2634	331	16	and	and	CCONJ
eurjchem-2634	331	17	water	water	NOUN
eurjchem-2634	331	18	solvents	solvent	NOUN
eurjchem-2634	331	19	.	.	PUNCT
eurjchem-2634	332	1	urea	urea	PROPN
eurjchem-2634	332	2	,	,	PUNCT
eurjchem-2634	332	3	which	which	PRON
eurjchem-2634	332	4	has	have	AUX
eurjchem-2634	332	5	been	be	AUX
eurjchem-2634	332	6	shown	show	VERB
eurjchem-2634	332	7	to	to	PART
eurjchem-2634	332	8	be	be	AUX
eurjchem-2634	332	9	the	the	DET
eurjchem-2634	332	10	standard	standard	ADJ
eurjchem-2634	332	11	molecule	molecule	NOUN
eurjchem-2634	332	12	in	in	ADP
eurjchem-2634	332	13	the	the	DET
eurjchem-2634	332	14	literature	literature	NOUN
eurjchem-2634	332	15	,	,	PUNCT
eurjchem-2634	332	16	is	be	AUX
eurjchem-2634	332	17	used	use	VERB
eurjchem-2634	332	18	to	to	PART
eurjchem-2634	332	19	evaluate	evaluate	VERB
eurjchem-2634	332	20	the	the	DET
eurjchem-2634	332	21	results	result	NOUN
eurjchem-2634	332	22	.	.	PUNCT
eurjchem-2634	333	1	the	the	DET
eurjchem-2634	333	2	dipole	dipole	NOUN
eurjchem-2634	333	3	moment	moment	NOUN
eurjchem-2634	333	4	and	and	CCONJ
eurjchem-2634	333	5	the	the	DET
eurjchem-2634	333	6	first	first	ADJ
eurjchem-2634	333	7	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2634	333	8	values	value	NOUN
eurjchem-2634	333	9	of	of	ADP
eurjchem-2634	333	10	this	this	DET
eurjchem-2634	333	11	molecule	molecule	NOUN
eurjchem-2634	333	12	are	be	AUX
eurjchem-2634	333	13	1.3732	1.3732	NUM
eurjchem-2634	333	14	d	d	NOUN
eurjchem-2634	333	15	and	and	CCONJ
eurjchem-2634	333	16	0.3728×10–30	0.3728×10–30	PROPN
eurjchem-2634	333	17	esu	esu	NOUN
eurjchem-2634	334	1	[	[	X
eurjchem-2634	334	2	55	55	NUM
eurjchem-2634	334	3	]	]	PUNCT
eurjchem-2634	334	4	.	.	PUNCT
eurjchem-2634	335	1	in	in	ADP
eurjchem-2634	335	2	the	the	DET
eurjchem-2634	335	3	calculations	calculation	NOUN
eurjchem-2634	335	4	performed	perform	VERB
eurjchem-2634	335	5	in	in	ADP
eurjchem-2634	335	6	the	the	DET
eurjchem-2634	335	7	gas	gas	NOUN
eurjchem-2634	335	8	phase	phase	NOUN
eurjchem-2634	335	9	of	of	ADP
eurjchem-2634	335	10	the	the	DET
eurjchem-2634	335	11	title	title	NOUN
eurjchem-2634	335	12	molecule	molecule	NOUN
eurjchem-2634	335	13	,	,	PUNCT
eurjchem-2634	335	14	the	the	DET
eurjchem-2634	335	15	dipole	dipole	NOUN
eurjchem-2634	335	16	moment	moment	NOUN
eurjchem-2634	335	17	value	value	NOUN
eurjchem-2634	335	18	was	be	AUX
eurjchem-2634	335	19	found	find	VERB
eurjchem-2634	335	20	to	to	PART
eurjchem-2634	335	21	be	be	AUX
eurjchem-2634	335	22	1.332	1.332	NUM
eurjchem-2634	335	23	d.	d.	NOUN
eurjchem-2634	335	24	this	this	DET
eurjchem-2634	335	25	parameter	parameter	NOUN
eurjchem-2634	335	26	value	value	NOUN
eurjchem-2634	335	27	was	be	AUX
eurjchem-2634	335	28	found	find	VERB
eurjchem-2634	335	29	to	to	PART
eurjchem-2634	335	30	be	be	AUX
eurjchem-2634	335	31	4.550	4.550	NUM
eurjchem-2634	335	32	,	,	PUNCT
eurjchem-2634	335	33	4.591	4.591	NUM
eurjchem-2634	335	34	,	,	PUNCT
eurjchem-2634	335	35	and	and	CCONJ
eurjchem-2634	335	36	4.611	4.611	NUM
eurjchem-2634	335	37	d	d	NOUN
eurjchem-2634	335	38	for	for	ADP
eurjchem-2634	335	39	ethanol	ethanol	NOUN
eurjchem-2634	335	40	,	,	PUNCT
eurjchem-2634	335	41	dmso	dmso	NOUN
eurjchem-2634	335	42	,	,	PUNCT
eurjchem-2634	335	43	and	and	CCONJ
eurjchem-2634	335	44	water	water	NOUN
eurjchem-2634	335	45	solvents	solvent	NOUN
eurjchem-2634	335	46	,	,	PUNCT
eurjchem-2634	335	47	respectively	respectively	ADV
eurjchem-2634	335	48	.	.	PUNCT
eurjchem-2634	336	1	the	the	DET
eurjchem-2634	336	2	first	first	ADJ
eurjchem-2634	336	3	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2634	336	4	values	value	NOUN
eurjchem-2634	336	5	were	be	AUX
eurjchem-2634	336	6	calculated	calculate	VERB
eurjchem-2634	336	7	as	as	ADP
eurjchem-2634	336	8	11.687×10–30	11.687×10–30	PROPN
eurjchem-2634	336	9	,	,	PUNCT
eurjchem-2634	336	10	38.979×10–30	38.979×10–30	NUM
eurjchem-2634	336	11	,	,	PUNCT
eurjchem-2634	336	12	38.399×10–30	38.399×10–30	NUM
eurjchem-2634	336	13	,	,	PUNCT
eurjchem-2634	336	14	and	and	CCONJ
eurjchem-2634	336	15	39.009×10–30	39.009×10–30	NUM
eurjchem-2634	336	16	esu	esu	NOUN
eurjchem-2634	336	17	for	for	ADP
eurjchem-2634	336	18	the	the	DET
eurjchem-2634	336	19	gas	gas	NOUN
eurjchem-2634	336	20	phase	phase	NOUN
eurjchem-2634	336	21	,	,	PUNCT
eurjchem-2634	336	22	ethanol	ethanol	NOUN
eurjchem-2634	336	23	,	,	PUNCT
eurjchem-2634	336	24	dmso	dmso	NOUN
eurjchem-2634	336	25	,	,	PUNCT
eurjchem-2634	336	26	and	and	CCONJ
eurjchem-2634	336	27	water	water	NOUN
eurjchem-2634	336	28	solvents	solvent	NOUN
eurjchem-2634	336	29	,	,	PUNCT
eurjchem-2634	336	30	respectively	respectively	ADV
eurjchem-2634	336	31	.	.	PUNCT
eurjchem-2634	337	1	these	these	DET
eurjchem-2634	337	2	values	value	NOUN
eurjchem-2634	337	3	in	in	ADP
eurjchem-2634	337	4	the	the	DET
eurjchem-2634	337	5	solvent	solvent	NOUN
eurjchem-2634	337	6	are	be	AUX
eurjchem-2634	337	7	much	much	ADV
eurjchem-2634	337	8	higher	high	ADJ
eurjchem-2634	337	9	than	than	ADP
eurjchem-2634	337	10	those	those	PRON
eurjchem-2634	337	11	of	of	ADP
eurjchem-2634	337	12	the	the	DET
eurjchem-2634	337	13	urea	urea	NOUN
eurjchem-2634	337	14	.	.	PUNCT
eurjchem-2634	338	1	the	the	DET
eurjchem-2634	338	2	identification	identification	NOUN
eurjchem-2634	338	3	of	of	ADP
eurjchem-2634	338	4	this	this	DET
eurjchem-2634	338	5	compound	compound	NOUN
eurjchem-2634	338	6	is	be	AUX
eurjchem-2634	338	7	essential	essential	ADJ
eurjchem-2634	338	8	because	because	SCONJ
eurjchem-2634	338	9	it	it	PRON
eurjchem-2634	338	10	can	can	AUX
eurjchem-2634	338	11	be	be	AUX
eurjchem-2634	338	12	employed	employ	VERB
eurjchem-2634	338	13	as	as	ADP
eurjchem-2634	338	14	nlo	nlo	PROPN
eurjchem-2634	338	15	in	in	ADP
eurjchem-2634	338	16	further	further	ADJ
eurjchem-2634	338	17	studies	study	NOUN
eurjchem-2634	338	18	.	.	PUNCT
eurjchem-2634	339	1	4	4	X
eurjchem-2634	339	2	.	.	X
eurjchem-2634	339	3	conclusions	conclusion	NOUN
eurjchem-2634	339	4	in	in	ADP
eurjchem-2634	339	5	this	this	DET
eurjchem-2634	339	6	study	study	NOUN
eurjchem-2634	339	7	,	,	PUNCT
eurjchem-2634	339	8	the	the	DET
eurjchem-2634	339	9	most	most	ADV
eurjchem-2634	339	10	stable	stable	ADJ
eurjchem-2634	339	11	conformer	conformer	NOUN
eurjchem-2634	339	12	structure	structure	NOUN
eurjchem-2634	339	13	of	of	ADP
eurjchem-2634	339	14	5,7dichloro-8	5,7dichloro-8	NUM
eurjchem-2634	339	15	-	-	PUNCT
eurjchem-2634	339	16	hydroxyquinoline-2	hydroxyquinoline-2	NUM
eurjchem-2634	339	17	-	-	PUNCT
eurjchem-2634	339	18	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	339	19	was	be	AUX
eurjchem-2634	339	20	found	find	VERB
eurjchem-2634	339	21	using	use	VERB
eurjchem-2634	339	22	the	the	DET
eurjchem-2634	339	23	mmmf	mmmf	NOUN
eurjchem-2634	339	24	theory	theory	NOUN
eurjchem-2634	339	25	in	in	ADP
eurjchem-2634	339	26	the	the	DET
eurjchem-2634	339	27	spartan	spartan	ADJ
eurjchem-2634	339	28	08	08	NUM
eurjchem-2634	339	29	package	package	NOUN
eurjchem-2634	339	30	program	program	NOUN
eurjchem-2634	339	31	.	.	PUNCT
eurjchem-2634	340	1	then	then	ADV
eurjchem-2634	340	2	,	,	PUNCT
eurjchem-2634	340	3	the	the	DET
eurjchem-2634	340	4	optimized	optimize	VERB
eurjchem-2634	340	5	geometric	geometric	ADJ
eurjchem-2634	340	6	structure	structure	NOUN
eurjchem-2634	340	7	of	of	ADP
eurjchem-2634	340	8	this	this	DET
eurjchem-2634	340	9	conformer	conformer	NOUN
eurjchem-2634	340	10	structure	structure	NOUN
eurjchem-2634	340	11	was	be	AUX
eurjchem-2634	340	12	determined	determine	VERB
eurjchem-2634	340	13	by	by	ADP
eurjchem-2634	340	14	the	the	DET
eurjchem-2634	340	15	dft	dft	PROPN
eurjchem-2634	340	16	method	method	NOUN
eurjchem-2634	340	17	,	,	PUNCT
eurjchem-2634	340	18	and	and	CCONJ
eurjchem-2634	340	19	its	its	PRON
eurjchem-2634	340	20	spectroscopic	spectroscopic	ADJ
eurjchem-2634	340	21	and	and	CCONJ
eurjchem-2634	340	22	electronic	electronic	ADJ
eurjchem-2634	340	23	properties	property	NOUN
eurjchem-2634	340	24	were	be	AUX
eurjchem-2634	340	25	investigated	investigate	VERB
eurjchem-2634	340	26	.	.	PUNCT
eurjchem-2634	341	1	this	this	DET
eurjchem-2634	341	2	study	study	NOUN
eurjchem-2634	341	3	aims	aim	VERB
eurjchem-2634	341	4	to	to	PART
eurjchem-2634	341	5	investigate	investigate	VERB
eurjchem-2634	341	6	how	how	SCONJ
eurjchem-2634	341	7	much	much	ADJ
eurjchem-2634	341	8	of	of	ADP
eurjchem-2634	341	9	a	a	DET
eurjchem-2634	341	10	shift	shift	NOUN
eurjchem-2634	341	11	will	will	AUX
eurjchem-2634	341	12	occur	occur	VERB
eurjchem-2634	341	13	in	in	ADP
eurjchem-2634	341	14	solvent	solvent	ADJ
eurjchem-2634	341	15	environments	environment	NOUN
eurjchem-2634	341	16	according	accord	VERB
eurjchem-2634	341	17	to	to	ADP
eurjchem-2634	341	18	the	the	DET
eurjchem-2634	341	19	results	result	NOUN
eurjchem-2634	341	20	obtained	obtain	VERB
eurjchem-2634	341	21	in	in	ADP
eurjchem-2634	341	22	the	the	DET
eurjchem-2634	341	23	gas	gas	NOUN
eurjchem-2634	341	24	phase	phase	NOUN
eurjchem-2634	341	25	in	in	ADP
eurjchem-2634	341	26	infrared	infrared	NOUN
eurjchem-2634	341	27	,	,	PUNCT
eurjchem-2634	341	28	uv	uv	NOUN
eurjchem-2634	341	29	-	-	PUNCT
eurjchem-2634	341	30	vis	vis	X
eurjchem-2634	341	31	,	,	PUNCT
eurjchem-2634	341	32	and	and	CCONJ
eurjchem-2634	341	33	nmr	nmr	NOUN
eurjchem-2634	341	34	(	(	PUNCT
eurjchem-2634	341	35	1h	1h	NUM
eurjchem-2634	341	36	and	and	CCONJ
eurjchem-2634	341	37	13c	13c	NOUN
eurjchem-2634	341	38	)	)	PUNCT
eurjchem-2634	341	39	spectra	spectra	NOUN
eurjchem-2634	341	40	.	.	PUNCT
eurjchem-2634	342	1	the	the	DET
eurjchem-2634	342	2	results	result	NOUN
eurjchem-2634	342	3	show	show	VERB
eurjchem-2634	342	4	that	that	SCONJ
eurjchem-2634	342	5	the	the	DET
eurjchem-2634	342	6	effects	effect	NOUN
eurjchem-2634	342	7	of	of	ADP
eurjchem-2634	342	8	solvents	solvent	NOUN
eurjchem-2634	342	9	on	on	ADP
eurjchem-2634	342	10	the	the	DET
eurjchem-2634	342	11	vibration	vibration	NOUN
eurjchem-2634	342	12	and	and	CCONJ
eurjchem-2634	342	13	uv	uv	NOUN
eurjchem-2634	342	14	-	-	PUNCT
eurjchem-2634	342	15	vis	vis	X
eurjchem-2634	342	16	spectra	spectra	NOUN
eurjchem-2634	342	17	of	of	ADP
eurjchem-2634	342	18	the	the	DET
eurjchem-2634	342	19	compound	compound	NOUN
eurjchem-2634	342	20	are	be	AUX
eurjchem-2634	342	21	almost	almost	ADV
eurjchem-2634	342	22	the	the	DET
eurjchem-2634	342	23	same	same	ADJ
eurjchem-2634	342	24	.	.	PUNCT
eurjchem-2634	343	1	in	in	ADP
eurjchem-2634	343	2	the	the	DET
eurjchem-2634	343	3	1h	1h	NUM
eurjchem-2634	343	4	nmr	nmr	NOUN
eurjchem-2634	343	5	values	value	NOUN
eurjchem-2634	343	6	,	,	PUNCT
eurjchem-2634	343	7	only	only	ADV
eurjchem-2634	343	8	some	some	PRON
eurjchem-2634	343	9	of	of	ADP
eurjchem-2634	343	10	the	the	DET
eurjchem-2634	343	11	values	value	NOUN
eurjchem-2634	343	12	calculated	calculate	VERB
eurjchem-2634	343	13	in	in	ADP
eurjchem-2634	343	14	a	a	DET
eurjchem-2634	343	15	water	water	NOUN
eurjchem-2634	343	16	environment	environment	NOUN
eurjchem-2634	343	17	changed	change	VERB
eurjchem-2634	343	18	significantly	significantly	ADV
eurjchem-2634	343	19	compared	compare	VERB
eurjchem-2634	343	20	to	to	ADP
eurjchem-2634	343	21	the	the	DET
eurjchem-2634	343	22	other	other	ADJ
eurjchem-2634	343	23	two	two	NUM
eurjchem-2634	343	24	solvents	solvent	NOUN
eurjchem-2634	343	25	.	.	PUNCT
eurjchem-2634	344	1	analysis	analysis	NOUN
eurjchem-2634	344	2	of	of	ADP
eurjchem-2634	344	3	fmo	fmo	NOUN
eurjchem-2634	344	4	,	,	PUNCT
eurjchem-2634	344	5	tdos	tdo	NOUN
eurjchem-2634	344	6	,	,	PUNCT
eurjchem-2634	344	7	and	and	CCONJ
eurjchem-2634	344	8	pdos	pdo	VERB
eurjchem-2634	344	9	spectra	spectra	PROPN
eurjchem-2634	344	10	showed	show	VERB
eurjchem-2634	344	11	ceyhun	ceyhun	NOUN
eurjchem-2634	344	12	kucuk	kucuk	NOUN
eurjchem-2634	344	13	/	/	SYM
eurjchem-2634	344	14	european	european	PROPN
eurjchem-2634	344	15	journal	journal	PROPN
eurjchem-2634	344	16	of	of	ADP
eurjchem-2634	344	17	chemistry	chemistry	NOUN
eurjchem-2634	344	18	16	16	NUM
eurjchem-2634	344	19	(	(	PUNCT
eurjchem-2634	344	20	1	1	NUM
eurjchem-2634	344	21	)	)	PUNCT
eurjchem-2634	344	22	(	(	PUNCT
eurjchem-2634	344	23	2025	2025	NUM
eurjchem-2634	344	24	)	)	PUNCT
eurjchem-2634	344	25	70	70	NUM
eurjchem-2634	344	26	-	-	SYM
eurjchem-2634	344	27	82	82	NUM
eurjchem-2634	344	28	81	81	NUM
eurjchem-2634	344	29	2025	2025	NUM
eurjchem-2634	344	30	–	–	PUNCT
eurjchem-2634	344	31	european	european	ADJ
eurjchem-2634	344	32	journal	journal	NOUN
eurjchem-2634	344	33	of	of	ADP
eurjchem-2634	344	34	chemistry	chemistry	NOUN
eurjchem-2634	344	35	–	–	PUNCT
eurjchem-2634	344	36	cc	cc	NOUN
eurjchem-2634	344	37	by	by	ADP
eurjchem-2634	344	38	nc	nc	PROPN
eurjchem-2634	344	39	–	–	PUNCT
eurjchem-2634	344	40	doi	doi	NOUN
eurjchem-2634	344	41	:	:	PUNCT
eurjchem-2634	344	42	10.5155	10.5155	NUM
eurjchem-2634	344	43	/	/	SYM
eurjchem-2634	344	44	eurjchem.16.1.70	eurjchem.16.1.70	SYM
eurjchem-2634	344	45	-	-	PUNCT
eurjchem-2634	344	46	82.2634	82.2634	NUM
eurjchem-2634	344	47	charge	charge	NOUN
eurjchem-2634	344	48	transfer	transfer	NOUN
eurjchem-2634	344	49	in	in	ADP
eurjchem-2634	344	50	the	the	DET
eurjchem-2634	344	51	compound	compound	NOUN
eurjchem-2634	344	52	.	.	PUNCT
eurjchem-2634	345	1	the	the	DET
eurjchem-2634	345	2	surface	surface	NOUN
eurjchem-2634	345	3	and	and	CCONJ
eurjchem-2634	345	4	atomic	atomic	ADJ
eurjchem-2634	345	5	charges	charge	NOUN
eurjchem-2634	345	6	of	of	ADP
eurjchem-2634	345	7	mep	mep	PROPN
eurjchem-2634	345	8	confirmed	confirm	VERB
eurjchem-2634	345	9	the	the	DET
eurjchem-2634	345	10	areas	area	NOUN
eurjchem-2634	345	11	where	where	SCONJ
eurjchem-2634	345	12	electrophilic	electrophilic	ADJ
eurjchem-2634	345	13	and	and	CCONJ
eurjchem-2634	345	14	nucleophilic	nucleophilic	ADJ
eurjchem-2634	345	15	attacks	attack	NOUN
eurjchem-2634	345	16	could	could	AUX
eurjchem-2634	345	17	occur	occur	VERB
eurjchem-2634	345	18	,	,	PUNCT
eurjchem-2634	345	19	i.e.	i.e.	X
eurjchem-2634	345	20	,	,	PUNCT
eurjchem-2634	345	21	at	at	ADP
eurjchem-2634	345	22	reactive	reactive	ADJ
eurjchem-2634	345	23	sites	site	NOUN
eurjchem-2634	345	24	of	of	ADP
eurjchem-2634	345	25	the	the	DET
eurjchem-2634	345	26	title	title	NOUN
eurjchem-2634	345	27	molecule	molecule	NOUN
eurjchem-2634	345	28	.	.	PUNCT
eurjchem-2634	346	1	nci	nci	PROPN
eurjchem-2634	346	2	-	-	PUNCT
eurjchem-2634	346	3	rdg	rdg	NOUN
eurjchem-2634	346	4	analysis	analysis	NOUN
eurjchem-2634	346	5	showed	show	VERB
eurjchem-2634	346	6	weak	weak	ADJ
eurjchem-2634	346	7	and	and	CCONJ
eurjchem-2634	346	8	strong	strong	ADJ
eurjchem-2634	346	9	attractive	attractive	ADJ
eurjchem-2634	346	10	interactions	interaction	NOUN
eurjchem-2634	346	11	as	as	ADV
eurjchem-2634	346	12	well	well	ADV
eurjchem-2634	346	13	as	as	ADP
eurjchem-2634	346	14	steric	steric	ADJ
eurjchem-2634	346	15	repulsions	repulsion	NOUN
eurjchem-2634	346	16	within	within	ADP
eurjchem-2634	346	17	the	the	DET
eurjchem-2634	346	18	molecule	molecule	NOUN
eurjchem-2634	346	19	.	.	PUNCT
eurjchem-2634	347	1	the	the	DET
eurjchem-2634	347	2	results	result	NOUN
eurjchem-2634	347	3	obtained	obtain	VERB
eurjchem-2634	347	4	from	from	ADP
eurjchem-2634	347	5	elf	elf	PRON
eurjchem-2634	347	6	and	and	CCONJ
eurjchem-2634	347	7	lol	lol	VERB
eurjchem-2634	347	8	analyses	analysis	NOUN
eurjchem-2634	347	9	also	also	ADV
eurjchem-2634	347	10	support	support	VERB
eurjchem-2634	347	11	the	the	DET
eurjchem-2634	347	12	results	result	NOUN
eurjchem-2634	347	13	obtained	obtain	VERB
eurjchem-2634	347	14	from	from	ADP
eurjchem-2634	347	15	nci	nci	PROPN
eurjchem-2634	347	16	analysis	analysis	NOUN
eurjchem-2634	347	17	.	.	PUNCT
eurjchem-2634	348	1	nbo	nbo	PROPN
eurjchem-2634	348	2	analysis	analysis	NOUN
eurjchem-2634	348	3	revealed	reveal	VERB
eurjchem-2634	348	4	donor	donor	NOUN
eurjchem-2634	348	5	-	-	PUNCT
eurjchem-2634	348	6	acceptor	acceptor	NOUN
eurjchem-2634	348	7	interactions	interaction	NOUN
eurjchem-2634	348	8	and	and	CCONJ
eurjchem-2634	348	9	electron	electron	NOUN
eurjchem-2634	348	10	transfer	transfer	NOUN
eurjchem-2634	348	11	interactions	interaction	NOUN
eurjchem-2634	348	12	in	in	ADP
eurjchem-2634	348	13	the	the	DET
eurjchem-2634	348	14	5,7	5,7	NUM
eurjchem-2634	348	15	-	-	PUNCT
eurjchem-2634	348	16	dichloro-8	dichloro-8	VERB
eurjchem-2634	348	17	-	-	PUNCT
eurjchem-2634	348	18	hydroxyquinoline-2	hydroxyquinoline-2	PROPN
eurjchem-2634	348	19	-	-	PUNCT
eurjchem-2634	348	20	carbaldehyde	carbaldehyde	NOUN
eurjchem-2634	348	21	molecule	molecule	NOUN
eurjchem-2634	348	22	.	.	PUNCT
eurjchem-2634	349	1	furthermore	furthermore	ADV
eurjchem-2634	349	2	,	,	PUNCT
eurjchem-2634	349	3	the	the	DET
eurjchem-2634	349	4	first	first	ADJ
eurjchem-2634	349	5	-	-	PUNCT
eurjchem-2634	349	6	order	order	NOUN
eurjchem-2634	349	7	hyperpolarizability	hyperpolarizability	NOUN
eurjchem-2634	349	8	is	be	AUX
eurjchem-2634	349	9	significantly	significantly	ADV
eurjchem-2634	349	10	higher	high	ADJ
eurjchem-2634	349	11	than	than	ADP
eurjchem-2634	349	12	that	that	PRON
eurjchem-2634	349	13	of	of	ADP
eurjchem-2634	349	14	urea	urea	NOUN
eurjchem-2634	349	15	in	in	ADP
eurjchem-2634	349	16	gases	gas	NOUN
eurjchem-2634	349	17	and	and	CCONJ
eurjchem-2634	349	18	solvents	solvent	NOUN
eurjchem-2634	349	19	,	,	PUNCT
eurjchem-2634	349	20	suggesting	suggest	VERB
eurjchem-2634	349	21	that	that	SCONJ
eurjchem-2634	349	22	the	the	DET
eurjchem-2634	349	23	studied	study	VERB
eurjchem-2634	349	24	molecule	molecule	NOUN
eurjchem-2634	349	25	is	be	AUX
eurjchem-2634	349	26	suitable	suitable	ADJ
eurjchem-2634	349	27	for	for	ADP
eurjchem-2634	349	28	nlo	nlo	PROPN
eurjchem-2634	349	29	applications	application	NOUN
eurjchem-2634	349	30	.	.	PUNCT
eurjchem-2634	350	1	acknowledgements	acknowledgement	NOUN
eurjchem-2634	350	2	the	the	DET
eurjchem-2634	350	3	author	author	NOUN
eurjchem-2634	350	4	is	be	AUX
eurjchem-2634	350	5	grateful	grateful	ADJ
eurjchem-2634	350	6	to	to	PART
eurjchem-2634	350	7	prof	prof	VERB
eurjchem-2634	350	8	.	.	PUNCT
eurjchem-2634	351	1	omer	omer	PROPN
eurjchem-2634	351	2	dereli	dereli	PROPN
eurjchem-2634	351	3	for	for	ADP
eurjchem-2634	351	4	providing	provide	VERB
eurjchem-2634	351	5	use	use	NOUN
eurjchem-2634	351	6	of	of	ADP
eurjchem-2634	351	7	the	the	DET
eurjchem-2634	351	8	spartan	spartan	ADJ
eurjchem-2634	351	9	08	08	NUM
eurjchem-2634	351	10	package	package	NOUN
eurjchem-2634	351	11	program	program	NOUN
eurjchem-2634	351	12	.	.	PUNCT
eurjchem-2634	352	1	disclosure	disclosure	NOUN
eurjchem-2634	352	2	statement	statement	NOUN
eurjchem-2634	352	3	conflict	conflict	NOUN
eurjchem-2634	352	4	of	of	ADP
eurjchem-2634	352	5	interest	interest	NOUN
eurjchem-2634	352	6	:	:	PUNCT
eurjchem-2634	352	7	the	the	DET
eurjchem-2634	352	8	authors	author	NOUN
eurjchem-2634	352	9	declare	declare	VERB
eurjchem-2634	352	10	that	that	SCONJ
eurjchem-2634	352	11	they	they	PRON
eurjchem-2634	352	12	have	have	VERB
eurjchem-2634	352	13	no	no	DET
eurjchem-2634	352	14	conflict	conflict	NOUN
eurjchem-2634	352	15	of	of	ADP
eurjchem-2634	352	16	interest	interest	NOUN
eurjchem-2634	352	17	.	.	PUNCT
eurjchem-2634	353	1	ethical	ethical	ADJ
eurjchem-2634	353	2	approval	approval	NOUN
eurjchem-2634	353	3	:	:	PUNCT
eurjchem-2634	354	1	all	all	DET
eurjchem-2634	354	2	ethical	ethical	ADJ
eurjchem-2634	354	3	guidelines	guideline	NOUN
eurjchem-2634	354	4	have	have	AUX
eurjchem-2634	354	5	been	be	AUX
eurjchem-2634	354	6	adhered	adhere	VERB
eurjchem-2634	354	7	to	to	ADP
eurjchem-2634	354	8	.	.	PUNCT
eurjchem-2634	355	1	sample	sample	NOUN
eurjchem-2634	355	2	availability	availability	NOUN
eurjchem-2634	355	3	:	:	PUNCT
eurjchem-2634	355	4	samples	sample	NOUN
eurjchem-2634	355	5	of	of	ADP
eurjchem-2634	355	6	the	the	DET
eurjchem-2634	355	7	compounds	compound	NOUN
eurjchem-2634	355	8	are	be	AUX
eurjchem-2634	355	9	available	available	ADJ
eurjchem-2634	355	10	from	from	ADP
eurjchem-2634	355	11	the	the	DET
eurjchem-2634	355	12	author	author	NOUN
eurjchem-2634	355	13	.	.	PUNCT
eurjchem-2634	356	1	orcid	orcid	NOUN
eurjchem-2634	356	2	and	and	CCONJ
eurjchem-2634	356	3	email	email	NOUN
eurjchem-2634	356	4	ceyhun	ceyhun	PROPN
eurjchem-2634	356	5	kucuk	kucuk	PROPN
eurjchem-2634	356	6	ceyhun.kucuk@beun.edu.tr	ceyhun.kucuk@beun.edu.tr	PROPN
eurjchem-2634	356	7	https://orcid.org/0000-0003-4457-8798	https://orcid.org/0000-0003-4457-8798	VERB
eurjchem-2634	356	8	references	reference	NOUN
eurjchem-2634	356	9	[	[	X
eurjchem-2634	356	10	1	1	NUM
eurjchem-2634	356	11	]	]	PUNCT
eurjchem-2634	356	12	.	.	PUNCT
eurjchem-2634	357	1	zhang	zhang	PROPN
eurjchem-2634	357	2	,	,	PUNCT
eurjchem-2634	357	3	w.	w.	PROPN
eurjchem-2634	357	4	;	;	PUNCT
eurjchem-2634	357	5	he	he	PRON
eurjchem-2634	357	6	,	,	PUNCT
eurjchem-2634	357	7	x.	x.	PROPN
eurjchem-2634	357	8	;	;	PUNCT
eurjchem-2634	357	9	deng	deng	PROPN
eurjchem-2634	357	10	,	,	PUNCT
eurjchem-2634	357	11	n.	n.	PROPN
eurjchem-2634	357	12	;	;	PUNCT
eurjchem-2634	357	13	wang	wang	PROPN
eurjchem-2634	357	14	,	,	PUNCT
eurjchem-2634	357	15	y.	y.	PROPN
eurjchem-2634	357	16	;	;	PUNCT
eurjchem-2634	357	17	he	he	PRON
eurjchem-2634	357	18	,	,	PUNCT
eurjchem-2634	357	19	j.	j.	PROPN
eurjchem-2634	357	20	monitoring	monitoring	NOUN
eurjchem-2634	357	21	of	of	ADP
eurjchem-2634	357	22	intermediates	intermediate	NOUN
eurjchem-2634	357	23	of	of	ADP
eurjchem-2634	357	24	clioquinol	clioquinol	NOUN
eurjchem-2634	357	25	electro	electro	NOUN
eurjchem-2634	357	26	-	-	PUNCT
eurjchem-2634	357	27	oxidation	oxidation	NOUN
eurjchem-2634	357	28	by	by	ADP
eurjchem-2634	357	29	thin	thin	ADJ
eurjchem-2634	357	30	-	-	PUNCT
eurjchem-2634	357	31	layer	layer	NOUN
eurjchem-2634	357	32	spectral	spectral	ADJ
eurjchem-2634	357	33	and	and	CCONJ
eurjchem-2634	357	34	electrophoretic	electrophoretic	ADJ
eurjchem-2634	357	35	electrochemistry	electrochemistry	NOUN
eurjchem-2634	357	36	.	.	PUNCT
eurjchem-2634	358	1	electrochim	electrochim	NOUN
eurjchem-2634	358	2	.	.	PUNCT
eurjchem-2634	359	1	acta	acta	PROPN
eurjchem-2634	359	2	2014	2014	NUM
eurjchem-2634	359	3	,	,	PUNCT
eurjchem-2634	359	4	127	127	NUM
eurjchem-2634	359	5	,	,	PUNCT
eurjchem-2634	359	6	403	403	NUM
eurjchem-2634	359	7	–	–	PUNCT
eurjchem-2634	359	8	409	409	NUM
eurjchem-2634	359	9	.	.	PUNCT
eurjchem-2634	360	1	[	[	X
eurjchem-2634	360	2	2	2	NUM
eurjchem-2634	360	3	]	]	PUNCT
eurjchem-2634	360	4	.	.	PUNCT
eurjchem-2634	361	1	rohde	rohde	PROPN
eurjchem-2634	361	2	,	,	PUNCT
eurjchem-2634	361	3	w.	w.	PROPN
eurjchem-2634	361	4	;	;	PUNCT
eurjchem-2634	361	5	mikelens	mikelen	VERB
eurjchem-2634	361	6	,	,	PUNCT
eurjchem-2634	361	7	p.	p.	PROPN
eurjchem-2634	361	8	;	;	PUNCT
eurjchem-2634	362	1	jackson	jackson	PROPN
eurjchem-2634	362	2	,	,	PUNCT
eurjchem-2634	362	3	j.	j.	PROPN
eurjchem-2634	362	4	;	;	PUNCT
eurjchem-2634	362	5	blackman	blackman	PROPN
eurjchem-2634	362	6	,	,	PUNCT
eurjchem-2634	362	7	j.	j.	PROPN
eurjchem-2634	362	8	;	;	PUNCT
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eurjchem-2634	362	10	,	,	PUNCT
eurjchem-2634	362	11	j.	j.	PROPN
eurjchem-2634	362	12	;	;	PUNCT
eurjchem-2634	362	13	levinson	levinson	PROPN
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eurjchem-2634	362	15	w.	w.	PROPN
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eurjchem-2634	362	18	ribonucleic	ribonucleic	ADJ
eurjchem-2634	362	19	acid	acid	NOUN
eurjchem-2634	362	20	-	-	PUNCT
eurjchem-2634	362	21	dependent	dependent	ADJ
eurjchem-2634	362	22	deoxyribonucleic	deoxyribonucleic	ADJ
eurjchem-2634	362	23	acid	acid	NOUN
eurjchem-2634	362	24	polymerase	polymerase	NOUN
eurjchem-2634	362	25	and	and	CCONJ
eurjchem-2634	362	26	inactivate	inactivate	VERB
eurjchem-2634	362	27	rous	rous	ADJ
eurjchem-2634	362	28	sarcoma	sarcoma	NOUN
eurjchem-2634	362	29	virus	virus	NOUN
eurjchem-2634	362	30	and	and	CCONJ
eurjchem-2634	362	31	herpes	herpe	NOUN
eurjchem-2634	362	32	simplex	simplex	NOUN
eurjchem-2634	362	33	virus	virus	NOUN
eurjchem-2634	362	34	.	.	PUNCT
eurjchem-2634	363	1	antimicrob	antimicrob	PROPN
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eurjchem-2634	363	5	,	,	PUNCT
eurjchem-2634	363	6	10	10	NUM
eurjchem-2634	363	7	(	(	PUNCT
eurjchem-2634	363	8	2	2	NUM
eurjchem-2634	363	9	)	)	PUNCT
eurjchem-2634	363	10	,	,	PUNCT
eurjchem-2634	363	11	234–240	234–240	NUM
eurjchem-2634	363	12	.	.	PUNCT
eurjchem-2634	364	1	[	[	X
eurjchem-2634	364	2	3	3	NUM
eurjchem-2634	364	3	]	]	PUNCT
eurjchem-2634	364	4	.	.	PUNCT
eurjchem-2634	365	1	fischer	fischer	PROPN
eurjchem-2634	365	2	,	,	PUNCT
eurjchem-2634	365	3	t.	t.	PROPN
eurjchem-2634	365	4	;	;	PUNCT
eurjchem-2634	365	5	hartvig	hartvig	NOUN
eurjchem-2634	365	6	,	,	PUNCT
eurjchem-2634	365	7	p.	p.	NOUN
eurjchem-2634	365	8	skin	skin	NOUN
eurjchem-2634	365	9	absortion	absortion	NOUN
eurjchem-2634	365	10	of	of	ADP
eurjchem-2634	365	11	8	8	NUM
eurjchem-2634	365	12	-	-	PUNCT
eurjchem-2634	365	13	hydroxyquinounes	hydroxyquinoune	NOUN
eurjchem-2634	365	14	.	.	PUNCT
eurjchem-2634	366	1	lancet	lancet	PROPN
eurjchem-2634	366	2	1977	1977	NUM
eurjchem-2634	366	3	,	,	PUNCT
eurjchem-2634	366	4	309	309	NUM
eurjchem-2634	366	5	(	(	PUNCT
eurjchem-2634	366	6	8011	8011	NUM
eurjchem-2634	366	7	)	)	PUNCT
eurjchem-2634	366	8	,	,	PUNCT
eurjchem-2634	366	9	603	603	NUM
eurjchem-2634	366	10	.	.	PUNCT
eurjchem-2634	367	1	[	[	X
eurjchem-2634	367	2	4	4	NUM
eurjchem-2634	367	3	]	]	PUNCT
eurjchem-2634	367	4	.	.	PUNCT
eurjchem-2634	367	5	gholz	gholz	PROPN
eurjchem-2634	367	6	,	,	PUNCT
eurjchem-2634	367	7	l.	l.	PROPN
eurjchem-2634	367	8	m.	m.	PROPN
eurjchem-2634	367	9	;	;	PUNCT
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eurjchem-2634	367	11	,	,	PUNCT
eurjchem-2634	367	12	w.	w.	PROPN
eurjchem-2634	367	13	l.	l.	PROPN
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eurjchem-2634	367	15	and	and	CCONJ
eurjchem-2634	367	16	therapy	therapy	NOUN
eurjchem-2634	367	17	of	of	ADP
eurjchem-2634	367	18	amebiasis	amebiasis	NOUN
eurjchem-2634	367	19	and	and	CCONJ
eurjchem-2634	367	20	shigellosis	shigellosis	NOUN
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eurjchem-2634	367	24	.	.	PUNCT
eurjchem-2634	368	1	am	be	AUX
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eurjchem-2634	369	1	j.	j.	PROPN
eurjchem-2634	369	2	trop	trop	PROPN
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eurjchem-2634	369	5	.	.	PUNCT
eurjchem-2634	370	1	hyg	hyg	PROPN
eurjchem-2634	370	2	.	.	PROPN
eurjchem-2634	370	3	1964	1964	NUM
eurjchem-2634	370	4	,	,	PUNCT
eurjchem-2634	370	5	13	13	NUM
eurjchem-2634	370	6	(	(	PUNCT
eurjchem-2634	370	7	3	3	NUM
eurjchem-2634	370	8	)	)	PUNCT
eurjchem-2634	370	9	,	,	PUNCT
eurjchem-2634	370	10	396–401	396–401	NUM
eurjchem-2634	370	11	.	.	PUNCT
eurjchem-2634	371	1	[	[	X
eurjchem-2634	371	2	5	5	NUM
eurjchem-2634	371	3	]	]	PUNCT
eurjchem-2634	371	4	.	.	PUNCT
eurjchem-2634	372	1	martínez	martínez	NOUN
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eurjchem-2634	372	3	larrañaga	larrañaga	NOUN
eurjchem-2634	372	4	,	,	PUNCT
eurjchem-2634	372	5	m.	m.	NOUN
eurjchem-2634	372	6	r.	r.	PROPN
eurjchem-2634	372	7	;	;	PUNCT
eurjchem-2634	372	8	anadón	anadón	PROPN
eurjchem-2634	372	9	,	,	PUNCT
eurjchem-2634	372	10	a.	a.	NOUN
eurjchem-2634	372	11	;	;	PUNCT
eurjchem-2634	372	12	fernandez	fernandez	PROPN
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eurjchem-2634	372	19	díaz	díaz	NOUN
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eurjchem-2634	372	21	m.	m.	NOUN
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eurjchem-2634	372	24	martinez	martinez	PROPN
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eurjchem-2634	374	11	,	,	PUNCT
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eurjchem-2634	375	3	]	]	PUNCT
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eurjchem-2634	375	12	s.	s.	PROPN
eurjchem-2634	375	13	;	;	PUNCT
eurjchem-2634	375	14	mary	mary	PROPN
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eurjchem-2634	375	16	y.	y.	PROPN
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eurjchem-2634	375	28	-	-	PUNCT
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eurjchem-2634	378	1	[	[	X
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eurjchem-2634	378	3	]	]	PUNCT
eurjchem-2634	378	4	.	.	PUNCT
eurjchem-2634	379	1	agwupuye	agwupuye	PROPN
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eurjchem-2634	383	5	,	,	PUNCT
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eurjchem-2634	384	1	[	[	X
eurjchem-2634	384	2	8	8	NUM
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eurjchem-2634	385	6	,	,	PUNCT
eurjchem-2634	385	7	a.	a.	PROPN
eurjchem-2634	385	8	;	;	PUNCT
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eurjchem-2634	385	17	;	;	PUNCT
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eurjchem-2634	388	1	[	[	X
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eurjchem-2634	388	4	.	.	PUNCT
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eurjchem-2634	391	1	[	[	X
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eurjchem-2634	391	4	.	.	PUNCT
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eurjchem-2634	395	1	[	[	X
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eurjchem-2634	395	4	.	.	PUNCT
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eurjchem-2634	396	9	;	;	PUNCT
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eurjchem-2634	396	12	y.	y.	PROPN
eurjchem-2634	396	13	;	;	PUNCT
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eurjchem-2634	407	17	h.	h.	PROPN
eurjchem-2634	407	18	b.	b.	PROPN
eurjchem-2634	407	19	;	;	PUNCT
eurjchem-2634	407	20	scuseria	scuseria	PROPN
eurjchem-2634	407	21	,	,	PUNCT
eurjchem-2634	407	22	g.	g.	PROPN
eurjchem-2634	407	23	e.	e.	PROPN
eurjchem-2634	407	24	;	;	PUNCT
eurjchem-2634	407	25	robb	robb	NOUN
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eurjchem-2634	407	27	m.	m.	NOUN
eurjchem-2634	407	28	a.	a.	PROPN
eurjchem-2634	407	29	;	;	PUNCT
eurjchem-2634	407	30	cheeseman	cheeseman	PROPN
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eurjchem-2634	407	32	j.	j.	PROPN
eurjchem-2634	407	33	r.	r.	PROPN
eurjchem-2634	407	34	;	;	PUNCT
eurjchem-2634	407	35	montgomery	montgomery	PROPN
eurjchem-2634	407	36	,	,	PUNCT
eurjchem-2634	407	37	j.	j.	PROPN
eurjchem-2634	407	38	a.	a.	PROPN
eurjchem-2634	407	39	;	;	PUNCT
eurjchem-2634	407	40	vreven	vreven	VERB
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eurjchem-2634	407	42	t.	t.	PROPN
eurjchem-2634	407	43	;	;	PUNCT
eurjchem-2634	407	44	kudin	kudin	PROPN
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eurjchem-2634	407	46	k.	k.	PROPN
eurjchem-2634	407	47	n.	n.	PROPN
eurjchem-2634	407	48	;	;	PUNCT
eurjchem-2634	407	49	burant	burant	PROPN
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eurjchem-2634	407	51	j.	j.	PROPN
eurjchem-2634	407	52	c.	c.	PROPN
eurjchem-2634	407	53	;	;	PUNCT
eurjchem-2634	407	54	millam	millam	PROPN
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eurjchem-2634	407	56	j.	j.	PROPN
eurjchem-2634	407	57	m.	m.	PROPN
eurjchem-2634	407	58	;	;	PUNCT
eurjchem-2634	407	59	iyengar	iyengar	PROPN
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eurjchem-2634	407	61	s.	s.	PROPN
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eurjchem-2634	407	63	;	;	PUNCT
eurjchem-2634	407	64	tomasi	tomasi	PROPN
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eurjchem-2634	407	66	j.	j.	PROPN
eurjchem-2634	407	67	;	;	PUNCT
eurjchem-2634	407	68	barone	barone	PROPN
eurjchem-2634	407	69	,	,	PUNCT
eurjchem-2634	407	70	v.	v.	PROPN
eurjchem-2634	407	71	;	;	PUNCT
eurjchem-2634	407	72	mennucci	mennucci	PROPN
eurjchem-2634	407	73	,	,	PUNCT
eurjchem-2634	407	74	b.	b.	PROPN
eurjchem-2634	407	75	;	;	PUNCT
eurjchem-2634	407	76	cossi	cossi	PROPN
eurjchem-2634	407	77	,	,	PUNCT
eurjchem-2634	407	78	m.	m.	NOUN
eurjchem-2634	407	79	;	;	PUNCT
eurjchem-2634	407	80	scalmani	scalmani	PROPN
eurjchem-2634	407	81	,	,	PUNCT
eurjchem-2634	407	82	g.	g.	PROPN
eurjchem-2634	407	83	;	;	PUNCT
eurjchem-2634	407	84	rega	rega	PROPN
eurjchem-2634	407	85	,	,	PUNCT
eurjchem-2634	407	86	n.	n.	NOUN
eurjchem-2634	407	87	;	;	PUNCT
eurjchem-2634	407	88	petersson	petersson	PROPN
eurjchem-2634	407	89	,	,	PUNCT
eurjchem-2634	407	90	g.	g.	PROPN
eurjchem-2634	407	91	a.	a.	PROPN
eurjchem-2634	407	92	;	;	PUNCT
eurjchem-2634	407	93	nakatsuji	nakatsuji	PROPN
eurjchem-2634	407	94	,	,	PUNCT
eurjchem-2634	407	95	h.	h.	PROPN
eurjchem-2634	407	96	;	;	PUNCT
eurjchem-2634	407	97	hada	hada	PROPN
eurjchem-2634	407	98	,	,	PUNCT
eurjchem-2634	407	99	m.	m.	NOUN
eurjchem-2634	407	100	;	;	PUNCT
eurjchem-2634	407	101	ehara	ehara	PROPN
eurjchem-2634	407	102	,	,	PUNCT
eurjchem-2634	407	103	m.	m.	NOUN
eurjchem-2634	407	104	;	;	PUNCT
eurjchem-2634	407	105	toyota	toyota	PROPN
eurjchem-2634	407	106	,	,	PUNCT
eurjchem-2634	407	107	k.	k.	PROPN
eurjchem-2634	407	108	;	;	PUNCT
eurjchem-2634	407	109	fukuda	fukuda	PROPN
eurjchem-2634	407	110	,	,	PUNCT
eurjchem-2634	407	111	r.	r.	PROPN
eurjchem-2634	407	112	;	;	PUNCT
eurjchem-2634	407	113	hasegawa	hasegawa	PROPN
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eurjchem-2634	407	115	j.	j.	PROPN
eurjchem-2634	407	116	;	;	PUNCT
eurjchem-2634	407	117	ishida	ishida	PROPN
eurjchem-2634	407	118	,	,	PUNCT
eurjchem-2634	407	119	m.	m.	NOUN
eurjchem-2634	407	120	;	;	PUNCT
eurjchem-2634	407	121	nakajima	nakajima	PROPN
eurjchem-2634	407	122	,	,	PUNCT
eurjchem-2634	407	123	t.	t.	PROPN
eurjchem-2634	407	124	;	;	PUNCT
eurjchem-2634	407	125	honda	honda	NOUN
eurjchem-2634	407	126	,	,	PUNCT
eurjchem-2634	407	127	y.	y.	PROPN
eurjchem-2634	407	128	;	;	PUNCT
eurjchem-2634	407	129	kitao	kitao	PROPN
eurjchem-2634	407	130	,	,	PUNCT
eurjchem-2634	407	131	o.	o.	PROPN
eurjchem-2634	407	132	;	;	PUNCT
eurjchem-2634	407	133	nakai	nakai	PROPN
eurjchem-2634	407	134	,	,	PUNCT
eurjchem-2634	407	135	h.	h.	PROPN
eurjchem-2634	407	136	;	;	PUNCT
eurjchem-2634	407	137	klene	klene	PROPN
eurjchem-2634	407	138	,	,	PUNCT
eurjchem-2634	407	139	m.	m.	NOUN
eurjchem-2634	407	140	;	;	PUNCT
eurjchem-2634	407	141	li	li	PROPN
eurjchem-2634	407	142	,	,	PUNCT
eurjchem-2634	407	143	x.	x.	PROPN
eurjchem-2634	407	144	;	;	PUNCT
eurjchem-2634	407	145	knox	knox	PROPN
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eurjchem-2634	407	147	j.	j.	PROPN
eurjchem-2634	407	148	e.	e.	PROPN
eurjchem-2634	407	149	;	;	PUNCT
eurjchem-2634	407	150	hratchian	hratchian	PROPN
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eurjchem-2634	407	152	h.	h.	PROPN
eurjchem-2634	407	153	p.	p.	PROPN
eurjchem-2634	407	154	;	;	PUNCT
eurjchem-2634	407	155	cross	cross	PROPN
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eurjchem-2634	407	157	j.	j.	PROPN
eurjchem-2634	407	158	b.	b.	PROPN
eurjchem-2634	407	159	;	;	PUNCT
eurjchem-2634	407	160	adamo	adamo	PROPN
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eurjchem-2634	407	162	c.	c.	PROPN
eurjchem-2634	407	163	;	;	PUNCT
eurjchem-2634	407	164	jaramillo	jaramillo	PROPN
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eurjchem-2634	407	166	j.	j.	PROPN
eurjchem-2634	407	167	;	;	PUNCT
eurjchem-2634	407	168	gomperts	gomperts	PROPN
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eurjchem-2634	407	170	r.	r.	PROPN
eurjchem-2634	407	171	;	;	PUNCT
eurjchem-2634	407	172	stratmann	stratmann	PROPN
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eurjchem-2634	407	174	r.	r.	PROPN
eurjchem-2634	407	175	e.	e.	PROPN
eurjchem-2634	407	176	;	;	PUNCT
eurjchem-2634	407	177	yazyev	yazyev	PROPN
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eurjchem-2634	407	179	o.	o.	PROPN
eurjchem-2634	407	180	;	;	PUNCT
eurjchem-2634	407	181	austin	austin	PROPN
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eurjchem-2634	407	183	a.	a.	PROPN
eurjchem-2634	407	184	j.	j.	PROPN
eurjchem-2634	407	185	;	;	PUNCT
eurjchem-2634	407	186	cammi	cammi	PROPN
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eurjchem-2634	407	188	r.	r.	PROPN
eurjchem-2634	407	189	;	;	PUNCT
eurjchem-2634	407	190	pomelli	pomelli	PROPN
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eurjchem-2634	407	192	c.	c.	NOUN
eurjchem-2634	407	193	;	;	PUNCT
eurjchem-2634	407	194	ochterski	ochterski	PROPN
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eurjchem-2634	407	196	j.	j.	PROPN
eurjchem-2634	407	197	w.	w.	PROPN
eurjchem-2634	407	198	;	;	PUNCT
eurjchem-2634	407	199	ayala	ayala	PROPN
eurjchem-2634	407	200	,	,	PUNCT
eurjchem-2634	407	201	p.	p.	PROPN
eurjchem-2634	407	202	y.	y.	PROPN
eurjchem-2634	407	203	;	;	PUNCT
eurjchem-2634	407	204	morokuma	morokuma	PROPN
eurjchem-2634	407	205	,	,	PUNCT
eurjchem-2634	407	206	k.	k.	PROPN
eurjchem-2634	407	207	;	;	PUNCT
eurjchem-2634	407	208	voth	voth	PROPN
eurjchem-2634	407	209	,	,	PUNCT
eurjchem-2634	407	210	g.	g.	PROPN
eurjchem-2634	407	211	a.	a.	PROPN
eurjchem-2634	407	212	;	;	PUNCT
eurjchem-2634	407	213	salvador	salvador	PROPN
eurjchem-2634	407	214	,	,	PUNCT
eurjchem-2634	407	215	p.	p.	PROPN
eurjchem-2634	407	216	;	;	PUNCT
eurjchem-2634	407	217	dannenberg	dannenberg	PROPN
eurjchem-2634	407	218	,	,	PUNCT
eurjchem-2634	407	219	j.	j.	PROPN
eurjchem-2634	407	220	j.	j.	PROPN
eurjchem-2634	407	221	;	;	PUNCT
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eurjchem-2634	407	223	,	,	PUNCT
eurjchem-2634	407	224	v.	v.	PROPN
eurjchem-2634	407	225	g.	g.	PROPN
eurjchem-2634	407	226	;	;	PUNCT
eurjchem-2634	407	227	dapprich	dapprich	PROPN
eurjchem-2634	407	228	,	,	PUNCT
eurjchem-2634	407	229	s.	s.	PROPN
eurjchem-2634	407	230	;	;	PUNCT
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eurjchem-2634	407	233	a.	a.	PROPN
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eurjchem-2634	407	242	,	,	PUNCT
eurjchem-2634	407	243	o.	o.	PROPN
eurjchem-2634	407	244	;	;	PUNCT
eurjchem-2634	407	245	malick	malick	PROPN
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eurjchem-2634	407	247	d.	d.	PROPN
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eurjchem-2634	407	250	rabuck	rabuck	VERB
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eurjchem-2634	407	252	a.	a.	PROPN
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eurjchem-2634	407	257	k	k	PROPN
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eurjchem-2634	407	261	j.	j.	PROPN
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eurjchem-2634	407	263	;	;	PUNCT
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eurjchem-2634	407	273	baboul	baboul	ADJ
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eurjchem-2634	407	280	s.	s.	PROPN
eurjchem-2634	407	281	;	;	PUNCT
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eurjchem-2634	407	284	j.	j.	PROPN
eurjchem-2634	407	285	;	;	PUNCT
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eurjchem-2634	407	288	b.	b.	PROPN
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eurjchem-2634	408	3	g.	g.	PROPN
eurjchem-2634	408	4	;	;	PUNCT
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eurjchem-2634	408	16	;	;	PUNCT
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eurjchem-2634	408	29	t.	t.	PROPN
eurjchem-2634	408	30	;	;	PUNCT
eurjchem-2634	408	31	al	al	PROPN
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eurjchem-2634	408	38	peng	peng	PROPN
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eurjchem-2634	408	40	c.	c.	PROPN
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eurjchem-2634	408	42	;	;	PUNCT
eurjchem-2634	408	43	nanayakkara	nanayakkara	PROPN
eurjchem-2634	408	44	,	,	PUNCT
eurjchem-2634	408	45	a.	a.	NOUN
eurjchem-2634	408	46	;	;	PUNCT
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eurjchem-2634	408	49	m.	m.	NOUN
eurjchem-2634	408	50	;	;	PUNCT
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eurjchem-2634	408	64	;	;	PUNCT
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eurjchem-2634	408	66	,	,	PUNCT
eurjchem-2634	408	67	m.	m.	PROPN
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eurjchem-2634	408	69	;	;	PUNCT
eurjchem-2634	408	70	gonzalez	gonzalez	PROPN
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eurjchem-2634	408	72	c.	c.	PROPN
eurjchem-2634	408	73	;	;	PUNCT
eurjchem-2634	408	74	pople	pople	PROPN
eurjchem-2634	408	75	,	,	PUNCT
eurjchem-2634	408	76	j.	j.	PROPN
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eurjchem-2634	409	3	,	,	PUNCT
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eurjchem-2634	409	6	inc	inc	PROPN
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eurjchem-2634	410	1	[	[	X
eurjchem-2634	410	2	15	15	NUM
eurjchem-2634	410	3	]	]	PUNCT
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eurjchem-2634	411	1	erdogdu	erdogdu	PROPN
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eurjchem-2634	411	3	y.	y.	PROPN
eurjchem-2634	411	4	;	;	PUNCT
eurjchem-2634	411	5	başköse	başköse	NOUN
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eurjchem-2634	411	7	ü.	ü.	PROPN
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eurjchem-2634	411	9	;	;	PUNCT
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eurjchem-2634	411	24	-	-	PUNCT
eurjchem-2634	411	25	methyl-4-(2thiazolylazo)resorcinol	methyl-4-(2thiazolylazo)resorcinol	NOUN
eurjchem-2634	411	26	by	by	ADP
eurjchem-2634	411	27	ft	ft	PROPN
eurjchem-2634	411	28	-	-	PUNCT
eurjchem-2634	411	29	ir	ir	PROPN
eurjchem-2634	411	30	,	,	PUNCT
eurjchem-2634	411	31	ft	ft	PROPN
eurjchem-2634	411	32	–	–	PUNCT
eurjchem-2634	411	33	raman	raman	NOUN
eurjchem-2634	411	34	,	,	PUNCT
eurjchem-2634	411	35	nmr	nmr	NOUN
eurjchem-2634	411	36	,	,	PUNCT
eurjchem-2634	411	37	and	and	CCONJ
eurjchem-2634	411	38	dft	dft	PROPN
eurjchem-2634	411	39	.	.	PROPN
eurjchem-2634	411	40	chem	chem	PROPN
eurjchem-2634	411	41	.	.	PUNCT
eurjchem-2634	412	1	pap	pap	NOUN
eurjchem-2634	412	2	.	.	PROPN
eurjchem-2634	413	1	2019	2019	NUM
eurjchem-2634	413	2	,	,	PUNCT
eurjchem-2634	413	3	73	73	NUM
eurjchem-2634	413	4	(	(	PUNCT
eurjchem-2634	413	5	8)	8)	NUM
eurjchem-2634	413	6	,	,	PUNCT
eurjchem-2634	413	7	1879–1891	1879–1891	NUM
eurjchem-2634	413	8	.	.	PUNCT
eurjchem-2634	414	1	[	[	X
eurjchem-2634	414	2	16	16	NUM
eurjchem-2634	414	3	]	]	PUNCT
eurjchem-2634	414	4	.	.	PUNCT
eurjchem-2634	415	1	kucuk	kucuk	PROPN
eurjchem-2634	415	2	,	,	PUNCT
eurjchem-2634	415	3	c.	c.	PROPN
eurjchem-2634	415	4	;	;	PUNCT
eurjchem-2634	415	5	yurdakul	yurdakul	PROPN
eurjchem-2634	415	6	,	,	PUNCT
eurjchem-2634	415	7	s.	s.	PROPN
eurjchem-2634	415	8	;	;	PUNCT
eurjchem-2634	415	9	özdemir	özdemir	NOUN
eurjchem-2634	415	10	,	,	PUNCT
eurjchem-2634	415	11	n.	n.	NOUN
eurjchem-2634	415	12	;	;	PUNCT
eurjchem-2634	415	13	erdem	erdem	PROPN
eurjchem-2634	415	14	,	,	PUNCT
eurjchem-2634	415	15	b.	b.	PROPN
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eurjchem-2634	415	17	and	and	CCONJ
eurjchem-2634	415	18	spectroscopic	spectroscopic	ADJ
eurjchem-2634	415	19	characterization	characterization	NOUN
eurjchem-2634	415	20	,	,	PUNCT
eurjchem-2634	415	21	electronic	electronic	ADJ
eurjchem-2634	415	22	properties	property	NOUN
eurjchem-2634	415	23	,	,	PUNCT
eurjchem-2634	415	24	and	and	CCONJ
eurjchem-2634	415	25	biological	biological	ADJ
eurjchem-2634	415	26	activity	activity	NOUN
eurjchem-2634	415	27	of	of	ADP
eurjchem-2634	415	28	the	the	DET
eurjchem-2634	415	29	4-(3	4-(3	PROPN
eurjchem-2634	415	30	-	-	PUNCT
eurjchem-2634	415	31	methoxyphenyl)piperazin-1	methoxyphenyl)piperazin-1	PROPN
eurjchem-2634	415	32	-	-	PUNCT
eurjchem-2634	415	33	ium	ium	NOUN
eurjchem-2634	415	34	4-(3	4-(3	PROPN
eurjchem-2634	415	35	-	-	PUNCT
eurjchem-2634	415	36	methoxy	methoxy	ADJ
eurjchem-2634	415	37	phenyl)piperazine-1	phenyl)piperazine-1	NOUN
eurjchem-2634	415	38	-	-	PUNCT
eurjchem-2634	415	39	carboxylate	carboxylate	NOUN
eurjchem-2634	415	40	monohydrate	monohydrate	NOUN
eurjchem-2634	415	41	.	.	PUNCT
eurjchem-2634	416	1	chem	chem	NOUN
eurjchem-2634	416	2	.	.	PUNCT
eurjchem-2634	417	1	pap	pap	NOUN
eurjchem-2634	417	2	.	.	PUNCT
eurjchem-2634	418	1	2023	2023	NUM
eurjchem-2634	418	2	,	,	PUNCT
eurjchem-2634	418	3	77	77	NUM
eurjchem-2634	418	4	(	(	PUNCT
eurjchem-2634	418	5	5	5	NUM
eurjchem-2634	418	6	)	)	PUNCT
eurjchem-2634	418	7	,	,	PUNCT
eurjchem-2634	418	8	2793–2815	2793–2815	NUM
eurjchem-2634	418	9	.	.	PUNCT
eurjchem-2634	419	1	[	[	X
eurjchem-2634	419	2	17	17	NUM
eurjchem-2634	419	3	]	]	PUNCT
eurjchem-2634	419	4	.	.	PUNCT
eurjchem-2634	420	1	subashini	subashini	PROPN
eurjchem-2634	420	2	,	,	PUNCT
eurjchem-2634	420	3	k.	k.	PROPN
eurjchem-2634	420	4	;	;	PUNCT
eurjchem-2634	420	5	periandy	periandy	PROPN
eurjchem-2634	420	6	,	,	PUNCT
eurjchem-2634	420	7	s.	s.	PROPN
eurjchem-2634	420	8	spectroscopic	spectroscopic	PROPN
eurjchem-2634	420	9	(	(	PUNCT
eurjchem-2634	420	10	ft	ft	NOUN
eurjchem-2634	420	11	-	-	PUNCT
eurjchem-2634	420	12	ir	ir	NOUN
eurjchem-2634	420	13	,	,	PUNCT
eurjchem-2634	420	14	ft	ft	NOUN
eurjchem-2634	420	15	-	-	PUNCT
eurjchem-2634	420	16	raman	raman	NOUN
eurjchem-2634	420	17	,	,	PUNCT
eurjchem-2634	420	18	uv	uv	NOUN
eurjchem-2634	420	19	,	,	PUNCT
eurjchem-2634	420	20	nmr	nmr	NOUN
eurjchem-2634	420	21	,	,	PUNCT
eurjchem-2634	420	22	nbo	nbo	NOUN
eurjchem-2634	420	23	)	)	PUNCT
eurjchem-2634	420	24	investigation	investigation	NOUN
eurjchem-2634	420	25	and	and	CCONJ
eurjchem-2634	420	26	molecular	molecular	ADJ
eurjchem-2634	420	27	docking	docking	NOUN
eurjchem-2634	420	28	study	study	NOUN
eurjchem-2634	420	29	of	of	ADP
eurjchem-2634	420	30	(	(	PUNCT
eurjchem-2634	420	31	r)-2	r)-2	NOUN
eurjchem-2634	420	32	-	-	PUNCT
eurjchem-2634	420	33	amino-1phenylethanol	amino-1phenylethanol	NOUN
eurjchem-2634	420	34	.	.	PUNCT
eurjchem-2634	421	1	j.	j.	PROPN
eurjchem-2634	421	2	mol	mol	PROPN
eurjchem-2634	421	3	.	.	PROPN
eurjchem-2634	421	4	struct	struct	NOUN
eurjchem-2634	421	5	.	.	PUNCT
eurjchem-2634	422	1	2016	2016	NUM
eurjchem-2634	422	2	,	,	PUNCT
eurjchem-2634	422	3	1117	1117	NUM
eurjchem-2634	422	4	,	,	PUNCT
eurjchem-2634	422	5	240–256	240–256	NUM
eurjchem-2634	422	6	.	.	PUNCT
eurjchem-2634	423	1	[	[	X
eurjchem-2634	423	2	18	18	NUM
eurjchem-2634	423	3	]	]	PUNCT
eurjchem-2634	423	4	.	.	PUNCT
eurjchem-2634	424	1	silvi	silvi	PROPN
eurjchem-2634	424	2	,	,	PUNCT
eurjchem-2634	424	3	b.	b.	PROPN
eurjchem-2634	424	4	;	;	PUNCT
eurjchem-2634	424	5	savin	savin	NOUN
eurjchem-2634	424	6	,	,	PUNCT
eurjchem-2634	424	7	a.	a.	NOUN
eurjchem-2634	424	8	classification	classification	NOUN
eurjchem-2634	424	9	of	of	ADP
eurjchem-2634	424	10	chemical	chemical	ADJ
eurjchem-2634	424	11	bonds	bond	NOUN
eurjchem-2634	424	12	based	base	VERB
eurjchem-2634	424	13	on	on	ADP
eurjchem-2634	424	14	topological	topological	ADJ
eurjchem-2634	424	15	analysis	analysis	NOUN
eurjchem-2634	424	16	of	of	ADP
eurjchem-2634	424	17	electron	electron	NOUN
eurjchem-2634	424	18	localization	localization	NOUN
eurjchem-2634	424	19	functions	function	NOUN
eurjchem-2634	424	20	.	.	PUNCT
eurjchem-2634	425	1	nature	nature	NOUN
eurjchem-2634	425	2	1994	1994	NUM
eurjchem-2634	425	3	,	,	PUNCT
eurjchem-2634	425	4	371	371	NUM
eurjchem-2634	425	5	(	(	PUNCT
eurjchem-2634	425	6	6499	6499	NUM
eurjchem-2634	425	7	)	)	PUNCT
eurjchem-2634	425	8	,	,	PUNCT
eurjchem-2634	425	9	683–686	683–686	NUM
eurjchem-2634	425	10	.	.	PUNCT
eurjchem-2634	426	1	[	[	X
eurjchem-2634	426	2	19	19	NUM
eurjchem-2634	426	3	]	]	PUNCT
eurjchem-2634	426	4	.	.	PUNCT
eurjchem-2634	427	1	kucuk	kucuk	PROPN
eurjchem-2634	427	2	,	,	PUNCT
eurjchem-2634	427	3	c.	c.	PROPN
eurjchem-2634	427	4	;	;	PUNCT
eurjchem-2634	427	5	celik	celik	PROPN
eurjchem-2634	427	6	,	,	PUNCT
eurjchem-2634	427	7	s.	s.	PROPN
eurjchem-2634	427	8	;	;	PUNCT
eurjchem-2634	427	9	yurdakul	yurdakul	PROPN
eurjchem-2634	427	10	,	,	PUNCT
eurjchem-2634	427	11	s.	s.	PROPN
eurjchem-2634	427	12	;	;	PUNCT
eurjchem-2634	427	13	erdem	erdem	PROPN
eurjchem-2634	427	14	,	,	PUNCT
eurjchem-2634	427	15	b.	b.	PROPN
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eurjchem-2634	427	18	,	,	PUNCT
eurjchem-2634	427	19	dft	dft	PROPN
eurjchem-2634	427	20	calculations	calculation	NOUN
eurjchem-2634	427	21	,	,	PUNCT
eurjchem-2634	427	22	antimicrobial	antimicrobial	ADJ
eurjchem-2634	427	23	activity	activity	NOUN
eurjchem-2634	427	24	,	,	PUNCT
eurjchem-2634	427	25	and	and	CCONJ
eurjchem-2634	427	26	molecular	molecular	ADJ
eurjchem-2634	427	27	docking	docking	NOUN
eurjchem-2634	427	28	studies	study	NOUN
eurjchem-2634	427	29	of	of	ADP
eurjchem-2634	427	30	5	5	NUM
eurjchem-2634	427	31	-	-	PUNCT
eurjchem-2634	427	32	methoxy-1h	methoxy-1h	NOUN
eurjchem-2634	427	33	-	-	PUNCT
eurjchem-2634	427	34	benzo[d]imidazole	benzo[d]imidazole	NOUN
eurjchem-2634	427	35	and	and	CCONJ
eurjchem-2634	427	36	its	its	PRON
eurjchem-2634	427	37	ag(i	ag(i	ADJ
eurjchem-2634	427	38	)	)	PUNCT
eurjchem-2634	427	39	complex	complex	ADJ
eurjchem-2634	427	40	.	.	PUNCT
eurjchem-2634	428	1	polyhedron	polyhedron	NOUN
eurjchem-2634	428	2	2024	2024	NUM
eurjchem-2634	428	3	,	,	PUNCT
eurjchem-2634	428	4	251	251	NUM
eurjchem-2634	428	5	,	,	PUNCT
eurjchem-2634	428	6	116868	116868	NUM
eurjchem-2634	428	7	.	.	PUNCT
eurjchem-2634	429	1	[	[	X
eurjchem-2634	429	2	20	20	NUM
eurjchem-2634	429	3	]	]	PUNCT
eurjchem-2634	429	4	.	.	PUNCT
eurjchem-2634	430	1	disli	disli	PROPN
eurjchem-2634	430	2	,	,	PUNCT
eurjchem-2634	430	3	a.	a.	NOUN
eurjchem-2634	430	4	;	;	PUNCT
eurjchem-2634	430	5	yucesoy	yucesoy	PROPN
eurjchem-2634	430	6	,	,	PUNCT
eurjchem-2634	430	7	e.	e.	PROPN
eurjchem-2634	430	8	e.	e.	PROPN
eurjchem-2634	430	9	;	;	PUNCT
eurjchem-2634	430	10	erdogdu	erdogdu	PROPN
eurjchem-2634	430	11	,	,	PUNCT
eurjchem-2634	430	12	y.	y.	PROPN
eurjchem-2634	430	13	;	;	PUNCT
eurjchem-2634	430	14	gulluoglu	gulluoglu	PROPN
eurjchem-2634	430	15	,	,	PUNCT
eurjchem-2634	430	16	m.	m.	NOUN
eurjchem-2634	430	17	t.	t.	PROPN
eurjchem-2634	430	18	;	;	PUNCT
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eurjchem-2634	430	20	,	,	PUNCT
eurjchem-2634	430	21	a.	a.	NOUN
eurjchem-2634	430	22	;	;	PUNCT
eurjchem-2634	430	23	dilek	dilek	PROPN
eurjchem-2634	430	24	,	,	PUNCT
eurjchem-2634	430	25	g.	g.	PROPN
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eurjchem-2634	430	29	,	,	PUNCT
eurjchem-2634	430	30	theoretical	theoretical	ADJ
eurjchem-2634	430	31	studies	study	NOUN
eurjchem-2634	430	32	and	and	CCONJ
eurjchem-2634	430	33	antimicrobial	antimicrobial	ADJ
eurjchem-2634	430	34	activity	activity	NOUN
eurjchem-2634	430	35	of	of	ADP
eurjchem-2634	430	36	novel	novel	ADJ
eurjchem-2634	430	37	1-(2	1-(2	NUM
eurjchem-2634	430	38	-	-	PUNCT
eurjchem-2634	430	39	hydroxy-4	hydroxy-4	NUM
eurjchem-2634	430	40	-	-	PUNCT
eurjchem-2634	430	41	propoxy-3	propoxy-3	NOUN
eurjchem-2634	430	42	-	-	PUNCT
eurjchem-2634	430	43	propylphenyl)ethanones	propylphenyl)ethanone	NOUN
eurjchem-2634	430	44	bearing	bearing	NOUN
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eurjchem-2634	430	46	.	.	PUNCT
eurjchem-2634	431	1	j.	j.	PROPN
eurjchem-2634	431	2	mol	mol	PROPN
eurjchem-2634	431	3	.	.	PROPN
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eurjchem-2634	431	5	.	.	PUNCT
eurjchem-2634	432	1	2021	2021	NUM
eurjchem-2634	432	2	,	,	PUNCT
eurjchem-2634	432	3	1242	1242	NUM
eurjchem-2634	432	4	,	,	PUNCT
eurjchem-2634	432	5	130818	130818	NUM
eurjchem-2634	432	6	.	.	PUNCT
eurjchem-2634	433	1	[	[	X
eurjchem-2634	433	2	21	21	NUM
eurjchem-2634	433	3	]	]	PUNCT
eurjchem-2634	433	4	.	.	PUNCT
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eurjchem-2634	434	2	,	,	PUNCT
eurjchem-2634	434	3	l.	l.	PROPN
eurjchem-2634	434	4	;	;	PUNCT
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eurjchem-2634	434	6	,	,	PUNCT
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eurjchem-2634	435	3	and	and	CCONJ
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eurjchem-2634	435	8	potentials	potential	NOUN
eurjchem-2634	435	9	,	,	PUNCT
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eurjchem-2634	435	11	structure	structure	NOUN
eurjchem-2634	435	12	(	(	PUNCT
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eurjchem-2634	435	14	and	and	CCONJ
eurjchem-2634	435	15	dimer	dimer	NOUN
eurjchem-2634	435	16	)	)	PUNCT
eurjchem-2634	435	17	,	,	PUNCT
eurjchem-2634	435	18	vibrational	vibrational	ADJ
eurjchem-2634	435	19	analysis	analysis	NOUN
eurjchem-2634	435	20	and	and	CCONJ
eurjchem-2634	435	21	molecular	molecular	ADJ
eurjchem-2634	435	22	characteristics	characteristic	NOUN
eurjchem-2634	435	23	of	of	ADP
eurjchem-2634	435	24	some	some	DET
eurjchem-2634	435	25	dimethyl	dimethyl	NOUN
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eurjchem-2634	435	27	.	.	PUNCT
eurjchem-2634	436	1	j.	j.	PROPN
eurjchem-2634	436	2	mol	mol	PROPN
eurjchem-2634	436	3	.	.	PROPN
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eurjchem-2634	436	5	.	.	PUNCT
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eurjchem-2634	437	2	,	,	PUNCT
eurjchem-2634	437	3	1200	1200	NUM
eurjchem-2634	437	4	,	,	PUNCT
eurjchem-2634	437	5	127089	127089	NUM
eurjchem-2634	437	6	.	.	PUNCT
eurjchem-2634	438	1	[	[	X
eurjchem-2634	438	2	22	22	NUM
eurjchem-2634	438	3	]	]	PUNCT
eurjchem-2634	438	4	.	.	PUNCT
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eurjchem-2634	439	2	,	,	PUNCT
eurjchem-2634	439	3	z.	z.	PROPN
eurjchem-2634	439	4	;	;	PUNCT
eurjchem-2634	439	5	moulton	moulton	PROPN
eurjchem-2634	439	6	,	,	PUNCT
eurjchem-2634	439	7	b.	b.	PROPN
eurjchem-2634	439	8	5	5	NUM
eurjchem-2634	439	9	-	-	PUNCT
eurjchem-2634	439	10	chloro-8	chloro-8	NOUN
eurjchem-2634	439	11	-	-	PUNCT
eurjchem-2634	439	12	hydroxyquinoline	hydroxyquinoline	NOUN
eurjchem-2634	439	13	;	;	PUNCT
eurjchem-2634	439	14	experimental	experimental	ADJ
eurjchem-2634	439	15	crystal	crystal	NOUN
eurjchem-2634	439	16	structure	structure	NOUN
eurjchem-2634	439	17	determination	determination	NOUN
eurjchem-2634	439	18	.	.	PUNCT
eurjchem-2634	440	1	ccdc	ccdc	PROPN
eurjchem-2634	440	2	.	.	PUNCT
eurjchem-2634	441	1	2010	2010	NUM
eurjchem-2634	441	2	,	,	PUNCT
eurjchem-2634	441	3	687619	687619	NUM
eurjchem-2634	441	4	https://doi.org/10.5517/ccr2j8l	https://doi.org/10.5517/ccr2j8l	X
eurjchem-2634	442	1	[	[	X
eurjchem-2634	442	2	23	23	NUM
eurjchem-2634	442	3	]	]	PUNCT
eurjchem-2634	442	4	.	.	PUNCT
eurjchem-2634	443	1	pieczka	pieczka	PROPN
eurjchem-2634	443	2	,	,	PUNCT
eurjchem-2634	443	3	a.	a.	NOUN
eurjchem-2634	443	4	;	;	PUNCT
eurjchem-2634	443	5	ertl	ertl	PROPN
eurjchem-2634	443	6	,	,	PUNCT
eurjchem-2634	443	7	a.	a.	NOUN
eurjchem-2634	443	8	;	;	PUNCT
eurjchem-2634	443	9	gołębiowska	gołębiowska	NOUN
eurjchem-2634	443	10	,	,	PUNCT
eurjchem-2634	443	11	b.	b.	PROPN
eurjchem-2634	443	12	;	;	PUNCT
eurjchem-2634	443	13	jeleń	jeleń	PROPN
eurjchem-2634	443	14	,	,	PUNCT
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eurjchem-2634	443	16	;	;	PUNCT
eurjchem-2634	443	17	kotowski	kotowski	PROPN
eurjchem-2634	443	18	,	,	PUNCT
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eurjchem-2634	443	20	;	;	PUNCT
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eurjchem-2634	443	22	,	,	PUNCT
eurjchem-2634	443	23	k.	k.	PROPN
eurjchem-2634	443	24	;	;	PUNCT
eurjchem-2634	443	25	stachowicz	stachowicz	NOUN
eurjchem-2634	443	26	,	,	PUNCT
eurjchem-2634	443	27	m.	m.	NOUN
eurjchem-2634	443	28	;	;	PUNCT
eurjchem-2634	443	29	giester	giester	VERB
eurjchem-2634	443	30	,	,	PUNCT
eurjchem-2634	443	31	g.	g.	PROPN
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eurjchem-2634	443	44	-	-	ADJ
eurjchem-2634	443	45	rich	rich	ADJ
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eurjchem-2634	443	47	-	-	PUNCT
eurjchem-2634	443	48	elbaite	elbaite	NOUN
eurjchem-2634	443	49	.	.	PUNCT
eurjchem-2634	444	1	am	be	AUX
eurjchem-2634	444	2	.	.	PUNCT
eurjchem-2634	444	3	mineral	mineral	NOUN
eurjchem-2634	444	4	.	.	PUNCT
eurjchem-2634	445	1	2020	2020	NUM
eurjchem-2634	445	2	,	,	PUNCT
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eurjchem-2634	445	4	(	(	PUNCT
eurjchem-2634	445	5	11	11	NUM
eurjchem-2634	445	6	)	)	PUNCT
eurjchem-2634	445	7	,	,	PUNCT
eurjchem-2634	445	8	1622–1630	1622–1630	NUM
eurjchem-2634	445	9	.	.	PUNCT
eurjchem-2634	446	1	[	[	X
eurjchem-2634	446	2	24	24	NUM
eurjchem-2634	446	3	]	]	PUNCT
eurjchem-2634	446	4	.	.	PUNCT
eurjchem-2634	447	1	sureshkumar	sureshkumar	PROPN
eurjchem-2634	447	2	,	,	PUNCT
eurjchem-2634	447	3	b.	b.	PROPN
eurjchem-2634	447	4	;	;	PUNCT
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eurjchem-2634	447	7	,	,	PUNCT
eurjchem-2634	447	8	y.	y.	PROPN
eurjchem-2634	447	9	;	;	PUNCT
eurjchem-2634	447	10	suma	suma	PROPN
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eurjchem-2634	447	13	;	;	PUNCT
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eurjchem-2634	447	16	s.	s.	PROPN
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eurjchem-2634	447	20	s.	s.	PROPN
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eurjchem-2634	447	40	-	-	PUNCT
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eurjchem-2634	447	42	-	-	PUNCT
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eurjchem-2634	447	45	5	5	NUM
eurjchem-2634	447	46	-	-	PUNCT
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eurjchem-2634	447	56	dft	dft	NOUN
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eurjchem-2634	447	62	.	.	PUNCT
eurjchem-2634	448	1	j.	j.	PROPN
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eurjchem-2634	448	3	.	.	PROPN
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eurjchem-2634	448	5	.	.	PUNCT
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eurjchem-2634	449	2	,	,	PUNCT
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eurjchem-2634	449	4	,	,	PUNCT
eurjchem-2634	449	5	525–538	525–538	NUM
eurjchem-2634	449	6	.	.	PUNCT
eurjchem-2634	450	1	[	[	X
eurjchem-2634	450	2	25	25	NUM
eurjchem-2634	450	3	]	]	PUNCT
eurjchem-2634	450	4	.	.	PUNCT
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eurjchem-2634	450	8	;	;	PUNCT
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eurjchem-2634	451	5	.	.	PUNCT
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eurjchem-2634	452	6	.	.	PUNCT
eurjchem-2634	453	1	[	[	X
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eurjchem-2634	458	2	,	,	PUNCT
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eurjchem-2634	459	4	.	.	PUNCT
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eurjchem-2634	460	2	,	,	PUNCT
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eurjchem-2634	460	4	;	;	PUNCT
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eurjchem-2634	462	1	[	[	X
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eurjchem-2634	462	4	.	.	PUNCT
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eurjchem-2634	463	2	,	,	PUNCT
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eurjchem-2634	463	4	;	;	PUNCT
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eurjchem-2634	463	6	,	,	PUNCT
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eurjchem-2634	463	8	;	;	PUNCT
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eurjchem-2634	463	42	(	(	PUNCT
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eurjchem-2634	463	44	)	)	PUNCT
eurjchem-2634	463	45	(	(	PUNCT
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eurjchem-2634	463	47	)	)	PUNCT
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eurjchem-2634	463	52	–	–	PUNCT
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eurjchem-2634	463	72	-	-	PUNCT
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eurjchem-2634	463	74	-	-	PUNCT
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eurjchem-2634	463	76	.	.	PUNCT
eurjchem-2634	464	1	j.	j.	PROPN
eurjchem-2634	464	2	mol	mol	PROPN
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eurjchem-2634	464	5	.	.	PUNCT
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eurjchem-2634	465	4	,	,	PUNCT
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eurjchem-2634	465	6	.	.	PUNCT
eurjchem-2634	466	1	[	[	X
eurjchem-2634	466	2	29	29	NUM
eurjchem-2634	466	3	]	]	PUNCT
eurjchem-2634	466	4	.	.	PUNCT
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eurjchem-2634	467	2	,	,	PUNCT
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eurjchem-2634	467	4	;	;	PUNCT
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eurjchem-2634	467	8	;	;	PUNCT
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eurjchem-2634	467	16	;	;	PUNCT
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eurjchem-2634	467	24	on	on	ADP
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eurjchem-2634	467	26	properties	property	NOUN
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eurjchem-2634	468	5	.	.	PUNCT
eurjchem-2634	469	1	2018	2018	NUM
eurjchem-2634	469	2	,	,	PUNCT
eurjchem-2634	469	3	1173	1173	NUM
eurjchem-2634	469	4	,	,	PUNCT
eurjchem-2634	469	5	52–62	52–62	NUM
eurjchem-2634	469	6	.	.	PUNCT
eurjchem-2634	470	1	[	[	X
eurjchem-2634	470	2	30	30	NUM
eurjchem-2634	470	3	]	]	PUNCT
eurjchem-2634	470	4	.	.	PUNCT
eurjchem-2634	471	1	yurdakul	yurdakul	PROPN
eurjchem-2634	471	2	,	,	PUNCT
eurjchem-2634	471	3	ş	ş	X
eurjchem-2634	471	4	.	.	PUNCT
eurjchem-2634	471	5	;	;	PUNCT
eurjchem-2634	471	6	tanrıbuyurdu	tanrıbuyurdu	PROPN
eurjchem-2634	471	7	,	,	PUNCT
eurjchem-2634	471	8	s.	s.	PROPN
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eurjchem-2634	471	29	-	-	PUNCT
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eurjchem-2634	472	2	mol	mol	PROPN
eurjchem-2634	472	3	.	.	PROPN
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eurjchem-2634	472	5	.	.	PUNCT
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eurjchem-2634	473	2	,	,	PUNCT
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eurjchem-2634	473	4	,	,	PUNCT
eurjchem-2634	473	5	57–66	57–66	NUM
eurjchem-2634	473	6	.	.	PUNCT
eurjchem-2634	474	1	[	[	X
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eurjchem-2634	474	3	]	]	PUNCT
eurjchem-2634	474	4	.	.	PUNCT
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eurjchem-2634	475	2	,	,	PUNCT
eurjchem-2634	475	3	s.	s.	PROPN
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eurjchem-2634	475	5	;	;	PUNCT
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eurjchem-2634	475	7	,	,	PUNCT
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eurjchem-2634	475	9	;	;	PUNCT
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eurjchem-2634	475	13	r.	r.	PROPN
eurjchem-2634	475	14	;	;	PUNCT
eurjchem-2634	475	15	hiremath	hiremath	PROPN
eurjchem-2634	475	16	,	,	PUNCT
eurjchem-2634	475	17	c.	c.	PROPN
eurjchem-2634	475	18	s.	s.	PROPN
eurjchem-2634	475	19	;	;	PUNCT
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eurjchem-2634	475	21	,	,	PUNCT
eurjchem-2634	475	22	s.	s.	PROPN
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eurjchem-2634	475	27	s.	s.	PROPN
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eurjchem-2634	475	29	;	;	PUNCT
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eurjchem-2634	476	2	,	,	PUNCT
eurjchem-2634	476	3	k.	k.	X
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eurjchem-2634	476	6	,	,	PUNCT
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eurjchem-2634	476	9	,	,	PUNCT
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eurjchem-2634	476	17	,	,	PUNCT
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eurjchem-2634	476	30	-	-	PUNCT
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eurjchem-2634	476	32	-	-	PUNCT
eurjchem-2634	476	33	yl	yl	NOUN
eurjchem-2634	476	34	)	)	PUNCT
eurjchem-2634	476	35	acetic	acetic	ADJ
eurjchem-2634	476	36	acid	acid	NOUN
eurjchem-2634	476	37	(	(	PUNCT
eurjchem-2634	476	38	2dbaa	2dbaa	NUM
eurjchem-2634	476	39	):	):	PUNCT
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eurjchem-2634	476	42	theoretical	theoretical	ADJ
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eurjchem-2634	476	44	.	.	PUNCT
eurjchem-2634	477	1	j.	j.	PROPN
eurjchem-2634	477	2	mol	mol	PROPN
eurjchem-2634	477	3	.	.	PROPN
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eurjchem-2634	477	5	.	.	PUNCT
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eurjchem-2634	478	2	,	,	PUNCT
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eurjchem-2634	478	4	,	,	PUNCT
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eurjchem-2634	478	6	.	.	PUNCT
eurjchem-2634	479	1	[	[	X
eurjchem-2634	479	2	32	32	NUM
eurjchem-2634	479	3	]	]	PUNCT
eurjchem-2634	479	4	.	.	PUNCT
eurjchem-2634	480	1	beatrice	beatrice	PROPN
eurjchem-2634	480	2	,	,	PUNCT
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eurjchem-2634	480	5	;	;	PUNCT
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eurjchem-2634	480	7	,	,	PUNCT
eurjchem-2634	480	8	s.	s.	PROPN
eurjchem-2634	480	9	m.	m.	PROPN
eurjchem-2634	480	10	;	;	PUNCT
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eurjchem-2634	480	12	,	,	PUNCT
eurjchem-2634	480	13	m.	m.	NOUN
eurjchem-2634	480	14	;	;	PUNCT
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eurjchem-2634	480	18	s.	s.	PROPN
eurjchem-2634	480	19	;	;	PUNCT
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eurjchem-2634	480	23	m.	m.	PROPN
eurjchem-2634	480	24	;	;	PUNCT
eurjchem-2634	480	25	mol	mol	PROPN
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eurjchem-2634	480	52	compound	compound	VERB
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eurjchem-2634	480	54	4	4	NUM
eurjchem-2634	480	55	-	-	PUNCT
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eurjchem-2634	480	61	.	.	PUNCT
eurjchem-2634	481	1	j.	j.	PROPN
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eurjchem-2634	481	5	.	.	PUNCT
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eurjchem-2634	481	7	,	,	PUNCT
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eurjchem-2634	481	9	,	,	PUNCT
eurjchem-2634	481	10	130381	130381	NUM
eurjchem-2634	481	11	.	.	PUNCT
eurjchem-2634	482	1	[	[	X
eurjchem-2634	482	2	33	33	NUM
eurjchem-2634	482	3	]	]	PUNCT
eurjchem-2634	482	4	.	.	PUNCT
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eurjchem-2634	483	2	,	,	PUNCT
eurjchem-2634	483	3	c.	c.	PROPN
eurjchem-2634	483	4	;	;	PUNCT
eurjchem-2634	483	5	celik	celik	PROPN
eurjchem-2634	483	6	,	,	PUNCT
eurjchem-2634	483	7	s.	s.	PROPN
eurjchem-2634	483	8	;	;	PUNCT
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eurjchem-2634	483	10	,	,	PUNCT
eurjchem-2634	483	11	s.	s.	PROPN
eurjchem-2634	483	12	;	;	PUNCT
eurjchem-2634	483	13	coteli	coteli	VERB
eurjchem-2634	483	14	,	,	PUNCT
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eurjchem-2634	483	21	-	-	PUNCT
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eurjchem-2634	483	24	:	:	PUNCT
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eurjchem-2634	484	9	,	,	PUNCT
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eurjchem-2634	484	31	.	.	PUNCT
eurjchem-2634	485	1	j.	j.	PROPN
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eurjchem-2634	485	5	.	.	PUNCT
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eurjchem-2634	486	4	,	,	PUNCT
eurjchem-2634	486	5	141285	141285	NUM
eurjchem-2634	486	6	.	.	PUNCT
eurjchem-2634	487	1	[	[	X
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eurjchem-2634	487	3	]	]	PUNCT
eurjchem-2634	487	4	.	.	PUNCT
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eurjchem-2634	488	22	al	al	PROPN
eurjchem-2634	488	23	-	-	PUNCT
eurjchem-2634	488	24	dossary	dossary	ADJ
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eurjchem-2634	488	39	the	the	DET
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eurjchem-2634	488	41	-	-	PUNCT
eurjchem-2634	488	42	triazole	triazole	NOUN
eurjchem-2634	488	43	:	:	PUNCT
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eurjchem-2634	488	47	.	.	PUNCT
eurjchem-2634	489	1	j.	j.	PROPN
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eurjchem-2634	490	6	.	.	PUNCT
eurjchem-2634	491	1	[	[	X
eurjchem-2634	491	2	35	35	NUM
eurjchem-2634	491	3	]	]	PUNCT
eurjchem-2634	491	4	.	.	PUNCT
eurjchem-2634	492	1	chen	chen	PROPN
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eurjchem-2634	492	8	;	;	PUNCT
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eurjchem-2634	492	12	;	;	PUNCT
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eurjchem-2634	492	14	,	,	PUNCT
eurjchem-2634	492	15	k.	k.	PROPN
eurjchem-2634	492	16	;	;	PUNCT
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eurjchem-2634	492	27	t.	t.	PROPN
eurjchem-2634	492	28	;	;	PUNCT
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eurjchem-2634	492	39	l.	l.	PROPN
eurjchem-2634	492	40	;	;	PUNCT
eurjchem-2634	492	41	teng	teng	PROPN
eurjchem-2634	492	42	,	,	PUNCT
eurjchem-2634	492	43	b.	b.	PROPN
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eurjchem-2634	492	55	)	)	PUNCT
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eurjchem-2634	492	58	a	a	DET
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eurjchem-2634	492	62	-	-	PUNCT
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eurjchem-2634	492	65	.	.	PUNCT
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eurjchem-2634	493	3	.	.	PUNCT
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eurjchem-2634	494	2	.	.	PUNCT
eurjchem-2634	495	1	a	a	DET
eurjchem-2634	495	2	:	:	PUNCT
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eurjchem-2634	496	4	,	,	PUNCT
eurjchem-2634	496	5	114335	114335	NUM
eurjchem-2634	496	6	.	.	PUNCT
eurjchem-2634	497	1	[	[	X
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eurjchem-2634	497	3	]	]	PUNCT
eurjchem-2634	497	4	.	.	PUNCT
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eurjchem-2634	498	5	louis	louis	PROPN
eurjchem-2634	498	6	,	,	PUNCT
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eurjchem-2634	498	45	.	.	PUNCT
eurjchem-2634	499	1	j.	j.	PROPN
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eurjchem-2634	499	3	.	.	PROPN
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eurjchem-2634	499	5	.	.	PUNCT
eurjchem-2634	500	1	2023	2023	NUM
eurjchem-2634	500	2	,	,	PUNCT
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eurjchem-2634	500	4	,	,	PUNCT
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eurjchem-2634	500	6	.	.	PUNCT
eurjchem-2634	501	1	[	[	X
eurjchem-2634	501	2	37	37	NUM
eurjchem-2634	501	3	]	]	SYM
eurjchem-2634	501	4	.	.	PUNCT
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eurjchem-2634	501	6	,	,	PUNCT
eurjchem-2634	501	7	c.	c.	PROPN
eurjchem-2634	501	8	d.	d.	PROPN
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eurjchem-2634	501	10	tarika	tarika	X
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eurjchem-2634	501	12	j.	j.	PROPN
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eurjchem-2634	501	17	x.	x.	PROPN
eurjchem-2634	501	18	d.	d.	PROPN
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eurjchem-2634	501	25	,	,	PUNCT
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eurjchem-2634	501	29	the	the	DET
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eurjchem-2634	501	31	activity	activity	NOUN
eurjchem-2634	501	32	of	of	ADP
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eurjchem-2634	501	41	,	,	PUNCT
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eurjchem-2634	501	43	,	,	PUNCT
eurjchem-2634	501	44	elf	elf	PRON
eurjchem-2634	501	45	,	,	PUNCT
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eurjchem-2634	501	47	,	,	PUNCT
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eurjchem-2634	501	57	.	.	PUNCT
eurjchem-2634	502	1	j.	j.	PROPN
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eurjchem-2634	502	5	.	.	PUNCT
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eurjchem-2634	503	2	,	,	PUNCT
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eurjchem-2634	503	4	,	,	PUNCT
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eurjchem-2634	503	6	.	.	PUNCT
eurjchem-2634	504	1	[	[	X
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eurjchem-2634	504	3	]	]	PUNCT
eurjchem-2634	504	4	.	.	PUNCT
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eurjchem-2634	505	4	;	;	PUNCT
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eurjchem-2634	505	7	s.	s.	PROPN
eurjchem-2634	505	8	;	;	PUNCT
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eurjchem-2634	506	1	j.	j.	PROPN
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eurjchem-2634	506	5	.	.	PUNCT
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eurjchem-2634	508	3	]	]	PUNCT
eurjchem-2634	508	4	.	.	PUNCT
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eurjchem-2634	508	36	.	.	PUNCT
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eurjchem-2634	511	1	[	[	X
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eurjchem-2634	511	4	.	.	PUNCT
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eurjchem-2634	513	2	.	.	PUNCT
eurjchem-2634	514	1	theor	theor	PROPN
eurjchem-2634	514	2	.	.	PUNCT
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eurjchem-2634	514	4	.	.	PUNCT
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eurjchem-2634	515	2	,	,	PUNCT
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eurjchem-2634	517	12	;	;	PUNCT
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eurjchem-2634	519	9	,	,	PUNCT
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eurjchem-2634	520	3	]	]	PUNCT
eurjchem-2634	520	4	.	.	PUNCT
eurjchem-2634	521	1	kucuk	kucuk	PROPN
eurjchem-2634	521	2	,	,	PUNCT
eurjchem-2634	521	3	c.	c.	PROPN
eurjchem-2634	521	4	;	;	PUNCT
eurjchem-2634	521	5	celik	celik	PROPN
eurjchem-2634	521	6	,	,	PUNCT
eurjchem-2634	521	7	s.	s.	PROPN
eurjchem-2634	521	8	;	;	PUNCT
eurjchem-2634	521	9	yurdakul	yurdakul	PROPN
eurjchem-2634	521	10	,	,	PUNCT
eurjchem-2634	521	11	s.	s.	PROPN
eurjchem-2634	521	12	;	;	PUNCT
eurjchem-2634	521	13	cotelı	cotelı	PROPN
eurjchem-2634	521	14	,	,	PUNCT
eurjchem-2634	521	15	e.	e.	PROPN
eurjchem-2634	521	16	;	;	PUNCT
eurjchem-2634	521	17	erdem	erdem	PROPN
eurjchem-2634	521	18	,	,	PUNCT
eurjchem-2634	521	19	b.	b.	PROPN
eurjchem-2634	521	20	synthesis	synthesis	NOUN
eurjchem-2634	521	21	,	,	PUNCT
eurjchem-2634	521	22	characterization	characterization	NOUN
eurjchem-2634	521	23	,	,	PUNCT
eurjchem-2634	521	24	thermal	thermal	ADJ
eurjchem-2634	521	25	,	,	PUNCT
eurjchem-2634	521	26	dft	dft	PROPN
eurjchem-2634	521	27	study	study	NOUN
eurjchem-2634	521	28	,	,	PUNCT
eurjchem-2634	521	29	antioxidant	antioxidant	NOUN
eurjchem-2634	521	30	and	and	CCONJ
eurjchem-2634	521	31	antimicrobial	antimicrobial	ADJ
eurjchem-2634	521	32	in	in	ADP
eurjchem-2634	521	33	vitro	vitro	X
eurjchem-2634	521	34	investigations	investigation	NOUN
eurjchem-2634	521	35	of	of	ADP
eurjchem-2634	521	36	indazole	indazole	NOUN
eurjchem-2634	521	37	and	and	CCONJ
eurjchem-2634	521	38	its	its	PRON
eurjchem-2634	521	39	ag(i	ag(i	NOUN
eurjchem-2634	521	40	)	)	PUNCT
eurjchem-2634	521	41	complex	complex	ADJ
eurjchem-2634	521	42	.	.	PUNCT
eurjchem-2634	522	1	polyhedron	polyhedron	NOUN
eurjchem-2634	522	2	2023	2023	NUM
eurjchem-2634	522	3	,	,	PUNCT
eurjchem-2634	522	4	241	241	NUM
eurjchem-2634	522	5	,	,	PUNCT
eurjchem-2634	522	6	116469	116469	NUM
eurjchem-2634	522	7	.	.	PUNCT
eurjchem-2634	523	1	[	[	X
eurjchem-2634	523	2	43	43	NUM
eurjchem-2634	523	3	]	]	PUNCT
eurjchem-2634	523	4	.	.	PUNCT
eurjchem-2634	524	1	uludağ	uludağ	PROPN
eurjchem-2634	524	2	,	,	PUNCT
eurjchem-2634	524	3	n.	n.	NOUN
eurjchem-2634	524	4	;	;	PUNCT
eurjchem-2634	524	5	serdaroğlu	serdaroğlu	PROPN
eurjchem-2634	524	6	,	,	PUNCT
eurjchem-2634	524	7	g.	g.	PROPN
eurjchem-2634	524	8	an	an	DET
eurjchem-2634	524	9	improved	improved	ADJ
eurjchem-2634	524	10	synthesis	synthesis	NOUN
eurjchem-2634	524	11	,	,	PUNCT
eurjchem-2634	524	12	spectroscopic	spectroscopic	NOUN
eurjchem-2634	524	13	(	(	PUNCT
eurjchem-2634	524	14	ftir	ftir	PROPN
eurjchem-2634	524	15	,	,	PUNCT
eurjchem-2634	524	16	nmr	nmr	NOUN
eurjchem-2634	524	17	)	)	PUNCT
eurjchem-2634	524	18	study	study	NOUN
eurjchem-2634	524	19	and	and	CCONJ
eurjchem-2634	524	20	dft	dft	PROPN
eurjchem-2634	524	21	computational	computational	ADJ
eurjchem-2634	524	22	analysis	analysis	NOUN
eurjchem-2634	524	23	(	(	PUNCT
eurjchem-2634	524	24	ir	ir	NOUN
eurjchem-2634	524	25	,	,	PUNCT
eurjchem-2634	524	26	nmr	nmr	NOUN
eurjchem-2634	524	27	,	,	PUNCT
eurjchem-2634	524	28	uv	uv	NOUN
eurjchem-2634	524	29	–	–	PUNCT
eurjchem-2634	524	30	vis	vis	X
eurjchem-2634	524	31	,	,	PUNCT
eurjchem-2634	524	32	mep	mep	PROPN
eurjchem-2634	524	33	diagrams	diagram	NOUN
eurjchem-2634	524	34	,	,	PUNCT
eurjchem-2634	524	35	nbo	nbo	PROPN
eurjchem-2634	524	36	,	,	PUNCT
eurjchem-2634	524	37	nlo	nlo	PROPN
eurjchem-2634	524	38	,	,	PUNCT
eurjchem-2634	524	39	fmo	fmo	NOUN
eurjchem-2634	524	40	)	)	PUNCT
eurjchem-2634	524	41	of	of	ADP
eurjchem-2634	524	42	the	the	DET
eurjchem-2634	524	43	1,5	1,5	NUM
eurjchem-2634	524	44	-	-	PUNCT
eurjchem-2634	524	45	methanoazocino[4,3b]indole	methanoazocino[4,3b]indole	NOUN
eurjchem-2634	524	46	core	core	NOUN
eurjchem-2634	524	47	structure	structure	NOUN
eurjchem-2634	524	48	.	.	PUNCT
eurjchem-2634	525	1	j.	j.	PROPN
eurjchem-2634	525	2	mol	mol	PROPN
eurjchem-2634	525	3	.	.	PROPN
eurjchem-2634	525	4	struct	struct	NOUN
eurjchem-2634	525	5	.	.	PUNCT
eurjchem-2634	526	1	2018	2018	NUM
eurjchem-2634	526	2	,	,	PUNCT
eurjchem-2634	526	3	1155	1155	NUM
eurjchem-2634	526	4	,	,	PUNCT
eurjchem-2634	526	5	548–560	548–560	NUM
eurjchem-2634	526	6	.	.	PUNCT
eurjchem-2634	527	1	[	[	X
eurjchem-2634	527	2	44	44	NUM
eurjchem-2634	527	3	]	]	PUNCT
eurjchem-2634	527	4	.	.	PUNCT
eurjchem-2634	528	1	suhta	suhta	NOUN
eurjchem-2634	528	2	,	,	PUNCT
eurjchem-2634	528	3	a.	a.	NOUN
eurjchem-2634	528	4	;	;	PUNCT
eurjchem-2634	528	5	saral	saral	ADJ
eurjchem-2634	528	6	,	,	PUNCT
eurjchem-2634	528	7	s.	s.	PROPN
eurjchem-2634	528	8	;	;	PUNCT
eurjchem-2634	528	9	çoruh	çoruh	PROPN
eurjchem-2634	528	10	,	,	PUNCT
eurjchem-2634	528	11	u.	u.	PROPN
eurjchem-2634	528	12	;	;	PUNCT
eurjchem-2634	528	13	karakuş	karakuş	PROPN
eurjchem-2634	528	14	,	,	PUNCT
eurjchem-2634	528	15	s.	s.	PROPN
eurjchem-2634	528	16	;	;	PUNCT
eurjchem-2634	528	17	vazquez	vazquez	NOUN
eurjchem-2634	528	18	-	-	PUNCT
eurjchem-2634	528	19	lopez	lopez	PROPN
eurjchem-2634	528	20	,	,	PUNCT
eurjchem-2634	528	21	e.	e.	PROPN
eurjchem-2634	528	22	m.	m.	PROPN
eurjchem-2634	528	23	synthesis	synthesis	PROPN
eurjchem-2634	528	24	,	,	PUNCT
eurjchem-2634	528	25	single	single	ADJ
eurjchem-2634	528	26	crystal	crystal	NOUN
eurjchem-2634	528	27	x	x	PROPN
eurjchem-2634	528	28	-	-	NOUN
eurjchem-2634	528	29	ray	ray	NOUN
eurjchem-2634	528	30	,	,	PUNCT
eurjchem-2634	528	31	hirshfeld	hirshfeld	ADJ
eurjchem-2634	528	32	surface	surface	NOUN
eurjchem-2634	528	33	analysis	analysis	NOUN
eurjchem-2634	528	34	and	and	CCONJ
eurjchem-2634	528	35	dft	dft	PROPN
eurjchem-2634	528	36	calculation	calculation	NOUN
eurjchem-2634	528	37	based	base	VERB
eurjchem-2634	528	38	nbo	nbo	PROPN
eurjchem-2634	528	39	,	,	PUNCT
eurjchem-2634	528	40	homo	homo	NOUN
eurjchem-2634	528	41	–	–	PUNCT
eurjchem-2634	528	42	lumo	lumo	NOUN
eurjchem-2634	528	43	,	,	PUNCT
eurjchem-2634	528	44	mep	mep	PROPN
eurjchem-2634	528	45	,	,	PUNCT
eurjchem-2634	528	46	ect	ect	X
eurjchem-2634	528	47	and	and	CCONJ
eurjchem-2634	528	48	molecular	molecular	ADJ
eurjchem-2634	528	49	docking	docking	NOUN
eurjchem-2634	528	50	analysis	analysis	NOUN
eurjchem-2634	528	51	of	of	ADP
eurjchem-2634	528	52	n′-[(2,6	n′-[(2,6	PROPN
eurjchem-2634	528	53	-	-	PROPN
eurjchem-2634	528	54	dichlorophenyl)methylidene]-2-{[3(trifluoromethyl)phenyl]amino}benzohydrazide	dichlorophenyl)methylidene]-2-{[3(trifluoromethyl)phenyl]amino}benzohydrazide	PROPN
eurjchem-2634	528	55	.	.	PUNCT
eurjchem-2634	529	1	j.	j.	PROPN
eurjchem-2634	529	2	struct	struct	VERB
eurjchem-2634	529	3	chem	chem	NOUN
eurjchem-2634	529	4	2024	2024	NUM
eurjchem-2634	529	5	,	,	PUNCT
eurjchem-2634	529	6	65	65	NUM
eurjchem-2634	529	7	(	(	PUNCT
eurjchem-2634	529	8	1	1	NUM
eurjchem-2634	529	9	)	)	PUNCT
eurjchem-2634	529	10	,	,	PUNCT
eurjchem-2634	529	11	196–215	196–215	NUM
eurjchem-2634	529	12	.	.	PUNCT
eurjchem-2634	530	1	[	[	X
eurjchem-2634	530	2	45	45	NUM
eurjchem-2634	530	3	]	]	PUNCT
eurjchem-2634	530	4	.	.	PUNCT
eurjchem-2634	530	5	kargar	kargar	PROPN
eurjchem-2634	530	6	,	,	PUNCT
eurjchem-2634	530	7	h.	h.	PROPN
eurjchem-2634	530	8	;	;	PUNCT
eurjchem-2634	530	9	fallah	fallah	ADJ
eurjchem-2634	530	10	-	-	PUNCT
eurjchem-2634	530	11	mehrjardi	mehrjardi	NOUN
eurjchem-2634	530	12	,	,	PUNCT
eurjchem-2634	530	13	m.	m.	NOUN
eurjchem-2634	530	14	;	;	PUNCT
eurjchem-2634	530	15	behjatmanesh	behjatmanesh	NOUN
eurjchem-2634	530	16	-	-	PUNCT
eurjchem-2634	530	17	ardakani	ardakani	PROPN
eurjchem-2634	530	18	,	,	PUNCT
eurjchem-2634	530	19	r.	r.	PROPN
eurjchem-2634	530	20	;	;	PUNCT
eurjchem-2634	530	21	munawar	munawar	PROPN
eurjchem-2634	530	22	,	,	PUNCT
eurjchem-2634	530	23	k.	k.	PROPN
eurjchem-2634	530	24	s.	s.	PROPN
eurjchem-2634	530	25	;	;	PUNCT
eurjchem-2634	530	26	ashfaq	ashfaq	NOUN
eurjchem-2634	530	27	,	,	PUNCT
eurjchem-2634	530	28	m.	m.	NOUN
eurjchem-2634	530	29	;	;	PUNCT
eurjchem-2634	530	30	tahir	tahir	PROPN
eurjchem-2634	530	31	,	,	PUNCT
eurjchem-2634	530	32	m.	m.	NOUN
eurjchem-2634	530	33	n.	n.	PROPN
eurjchem-2634	530	34	diverse	diverse	ADJ
eurjchem-2634	530	35	coordination	coordination	NOUN
eurjchem-2634	530	36	of	of	ADP
eurjchem-2634	530	37	isoniazid	isoniazid	NOUN
eurjchem-2634	530	38	hydrazone	hydrazone	NOUN
eurjchem-2634	530	39	schiff	schiff	PROPN
eurjchem-2634	530	40	base	base	PROPN
eurjchem-2634	530	41	ligand	ligand	NOUN
eurjchem-2634	530	42	towards	towards	ADP
eurjchem-2634	530	43	iron(iii	iron(iii	NOUN
eurjchem-2634	530	44	):	):	PUNCT
eurjchem-2634	530	45	synthesis	synthesis	NOUN
eurjchem-2634	530	46	,	,	PUNCT
eurjchem-2634	530	47	characterization	characterization	NOUN
eurjchem-2634	530	48	,	,	PUNCT
eurjchem-2634	530	49	sc	sc	PROPN
eurjchem-2634	530	50	-	-	PUNCT
eurjchem-2634	530	51	xrd	xrd	PROPN
eurjchem-2634	530	52	,	,	PUNCT
eurjchem-2634	530	53	hsa	hsa	PROPN
eurjchem-2634	530	54	,	,	PUNCT
eurjchem-2634	530	55	qtaim	qtaim	NOUN
eurjchem-2634	530	56	,	,	PUNCT
eurjchem-2634	530	57	mep	mep	PROPN
eurjchem-2634	530	58	,	,	PUNCT
eurjchem-2634	530	59	nci	nci	PROPN
eurjchem-2634	530	60	,	,	PUNCT
eurjchem-2634	530	61	nbo	nbo	PROPN
eurjchem-2634	530	62	and	and	CCONJ
eurjchem-2634	530	63	dft	dft	PROPN
eurjchem-2634	530	64	study	study	PROPN
eurjchem-2634	530	65	.	.	PUNCT
eurjchem-2634	531	1	j.	j.	PROPN
eurjchem-2634	531	2	mol	mol	PROPN
eurjchem-2634	531	3	.	.	PROPN
eurjchem-2634	531	4	struct	struct	NOUN
eurjchem-2634	531	5	.	.	PUNCT
eurjchem-2634	532	1	2022	2022	NUM
eurjchem-2634	532	2	,	,	PUNCT
eurjchem-2634	532	3	1250	1250	NUM
eurjchem-2634	532	4	,	,	PUNCT
eurjchem-2634	532	5	131691	131691	NUM
eurjchem-2634	532	6	.	.	PUNCT
eurjchem-2634	533	1	[	[	X
eurjchem-2634	533	2	46	46	NUM
eurjchem-2634	533	3	]	]	PUNCT
eurjchem-2634	533	4	.	.	PUNCT
eurjchem-2634	534	1	kucuk	kucuk	NOUN
eurjchem-2634	534	2	,	,	PUNCT
eurjchem-2634	534	3	c.	c.	NOUN
eurjchem-2634	534	4	synthesis	synthesis	NOUN
eurjchem-2634	534	5	,	,	PUNCT
eurjchem-2634	534	6	characterization	characterization	NOUN
eurjchem-2634	534	7	,	,	PUNCT
eurjchem-2634	534	8	dft	dft	PROPN
eurjchem-2634	534	9	studies	study	NOUN
eurjchem-2634	534	10	,	,	PUNCT
eurjchem-2634	534	11	and	and	CCONJ
eurjchem-2634	534	12	molecular	molecular	ADJ
eurjchem-2634	534	13	docking	docking	NOUN
eurjchem-2634	534	14	investigation	investigation	NOUN
eurjchem-2634	534	15	of	of	ADP
eurjchem-2634	534	16	silver	silver	ADJ
eurjchem-2634	534	17	nitrate	nitrate	NOUN
eurjchem-2634	534	18	complex	complex	NOUN
eurjchem-2634	534	19	of	of	ADP
eurjchem-2634	534	20	5	5	NUM
eurjchem-2634	534	21	-	-	PUNCT
eurjchem-2634	534	22	benzimidazole	benzimidazole	NOUN
eurjchem-2634	534	23	carboxylic	carboxylic	NOUN
eurjchem-2634	534	24	acid	acid	NOUN
eurjchem-2634	534	25	as	as	ADP
eurjchem-2634	534	26	targeted	target	VERB
eurjchem-2634	534	27	anticancer	anticancer	NOUN
eurjchem-2634	534	28	agents	agent	NOUN
eurjchem-2634	534	29	.	.	PUNCT
eurjchem-2634	535	1	j.	j.	PROPN
eurjchem-2634	535	2	mol	mol	PROPN
eurjchem-2634	535	3	.	.	PROPN
eurjchem-2634	535	4	struct	struct	NOUN
eurjchem-2634	535	5	.	.	PUNCT
eurjchem-2634	536	1	2023	2023	NUM
eurjchem-2634	536	2	,	,	PUNCT
eurjchem-2634	536	3	1293	1293	NUM
eurjchem-2634	536	4	,	,	PUNCT
eurjchem-2634	536	5	136166	136166	NUM
eurjchem-2634	536	6	.	.	PUNCT
eurjchem-2634	537	1	[	[	X
eurjchem-2634	537	2	47	47	NUM
eurjchem-2634	537	3	]	]	PUNCT
eurjchem-2634	537	4	.	.	PUNCT
eurjchem-2634	538	1	celik	celik	PROPN
eurjchem-2634	538	2	,	,	PUNCT
eurjchem-2634	538	3	s.	s.	PROPN
eurjchem-2634	538	4	;	;	PUNCT
eurjchem-2634	538	5	alp	alp	PROPN
eurjchem-2634	538	6	,	,	PUNCT
eurjchem-2634	538	7	m.	m.	NOUN
eurjchem-2634	538	8	;	;	PUNCT
eurjchem-2634	538	9	yurdakul	yurdakul	PROPN
eurjchem-2634	538	10	,	,	PUNCT
eurjchem-2634	538	11	s.	s.	PROPN
eurjchem-2634	538	12	a	a	DET
eurjchem-2634	538	13	combined	combine	VERB
eurjchem-2634	538	14	experimental	experimental	ADJ
eurjchem-2634	538	15	and	and	CCONJ
eurjchem-2634	538	16	theoretical	theoretical	ADJ
eurjchem-2634	538	17	study	study	NOUN
eurjchem-2634	538	18	on	on	ADP
eurjchem-2634	538	19	vibrational	vibrational	ADJ
eurjchem-2634	538	20	spectra	spectra	NOUN
eurjchem-2634	538	21	of	of	ADP
eurjchem-2634	538	22	3	3	NUM
eurjchem-2634	538	23	-	-	PUNCT
eurjchem-2634	538	24	pyridyl	pyridyl	NOUN
eurjchem-2634	538	25	methyl	methyl	NOUN
eurjchem-2634	538	26	ketone	ketone	NOUN
eurjchem-2634	538	27	.	.	PUNCT
eurjchem-2634	539	1	spectrosc	spectrosc	PROPN
eurjchem-2634	539	2	.	.	PUNCT
eurjchem-2634	540	1	lett	lett	PROPN
eurjchem-2634	540	2	.	.	PUNCT
eurjchem-2634	541	1	2020	2020	NUM
eurjchem-2634	541	2	,	,	PUNCT
eurjchem-2634	541	3	53	53	NUM
eurjchem-2634	541	4	(	(	PUNCT
eurjchem-2634	541	5	4	4	NUM
eurjchem-2634	541	6	)	)	PUNCT
eurjchem-2634	541	7	,	,	PUNCT
eurjchem-2634	541	8	234–248	234–248	NUM
eurjchem-2634	541	9	.	.	PUNCT
eurjchem-2634	542	1	[	[	X
eurjchem-2634	542	2	48	48	NUM
eurjchem-2634	542	3	]	]	PUNCT
eurjchem-2634	542	4	.	.	PUNCT
eurjchem-2634	543	1	janani	janani	PROPN
eurjchem-2634	543	2	,	,	PUNCT
eurjchem-2634	543	3	s.	s.	PROPN
eurjchem-2634	543	4	;	;	PUNCT
eurjchem-2634	543	5	rajagopal	rajagopal	PROPN
eurjchem-2634	543	6	,	,	PUNCT
eurjchem-2634	543	7	h.	h.	PROPN
eurjchem-2634	543	8	;	;	PUNCT
eurjchem-2634	543	9	muthu	muthu	PROPN
eurjchem-2634	543	10	,	,	PUNCT
eurjchem-2634	543	11	s.	s.	PROPN
eurjchem-2634	543	12	;	;	PUNCT
eurjchem-2634	543	13	aayisha	aayisha	PROPN
eurjchem-2634	543	14	,	,	PUNCT
eurjchem-2634	543	15	s.	s.	PROPN
eurjchem-2634	543	16	;	;	PUNCT
eurjchem-2634	543	17	raja	raja	PROPN
eurjchem-2634	543	18	,	,	PUNCT
eurjchem-2634	543	19	m.	m.	NOUN
eurjchem-2634	543	20	molecular	molecular	ADJ
eurjchem-2634	543	21	structure	structure	NOUN
eurjchem-2634	543	22	,	,	PUNCT
eurjchem-2634	543	23	spectroscopic	spectroscopic	NOUN
eurjchem-2634	543	24	(	(	PUNCT
eurjchem-2634	543	25	ft	ft	NOUN
eurjchem-2634	543	26	-	-	PUNCT
eurjchem-2634	543	27	ir	ir	NOUN
eurjchem-2634	543	28	,	,	PUNCT
eurjchem-2634	543	29	ft	ft	NOUN
eurjchem-2634	543	30	-	-	PUNCT
eurjchem-2634	543	31	raman	raman	NOUN
eurjchem-2634	543	32	,	,	PUNCT
eurjchem-2634	543	33	nmr	nmr	NOUN
eurjchem-2634	543	34	)	)	PUNCT
eurjchem-2634	543	35	,	,	PUNCT
eurjchem-2634	543	36	homo	homo	NOUN
eurjchem-2634	543	37	-	-	PUNCT
eurjchem-2634	543	38	lumo	lumo	NOUN
eurjchem-2634	543	39	,	,	PUNCT
eurjchem-2634	543	40	chemical	chemical	NOUN
eurjchem-2634	543	41	reactivity	reactivity	NOUN
eurjchem-2634	543	42	,	,	PUNCT
eurjchem-2634	543	43	aim	aim	NOUN
eurjchem-2634	543	44	,	,	PUNCT
eurjchem-2634	543	45	elf	elf	PRON
eurjchem-2634	543	46	,	,	PUNCT
eurjchem-2634	543	47	lol	lol	ADJ
eurjchem-2634	543	48	and	and	CCONJ
eurjchem-2634	543	49	molecular	molecular	ADJ
eurjchem-2634	543	50	docking	docking	NOUN
eurjchem-2634	543	51	studies	study	NOUN
eurjchem-2634	543	52	on	on	ADP
eurjchem-2634	543	53	1	1	NUM
eurjchem-2634	543	54	-	-	PUNCT
eurjchem-2634	543	55	benzyl-4-(n	benzyl-4-(n	NOUN
eurjchem-2634	543	56	-	-	PUNCT
eurjchem-2634	543	57	boc	boc	NOUN
eurjchem-2634	543	58	-	-	PUNCT
eurjchem-2634	543	59	amino)piperidine	amino)piperidine	NOUN
eurjchem-2634	543	60	.	.	PUNCT
eurjchem-2634	544	1	j.	j.	PROPN
eurjchem-2634	544	2	mol	mol	PROPN
eurjchem-2634	544	3	.	.	PROPN
eurjchem-2634	544	4	struct	struct	NOUN
eurjchem-2634	544	5	.	.	PUNCT
eurjchem-2634	545	1	2021	2021	NUM
eurjchem-2634	545	2	,	,	PUNCT
eurjchem-2634	545	3	1230	1230	NUM
eurjchem-2634	545	4	,	,	PUNCT
eurjchem-2634	545	5	129657	129657	NUM
eurjchem-2634	545	6	.	.	PUNCT
eurjchem-2634	546	1	[	[	X
eurjchem-2634	546	2	49	49	NUM
eurjchem-2634	546	3	]	]	PUNCT
eurjchem-2634	546	4	.	.	PUNCT
eurjchem-2634	547	1	khemalapure	khemalapure	PROPN
eurjchem-2634	547	2	,	,	PUNCT
eurjchem-2634	547	3	s.	s.	PROPN
eurjchem-2634	547	4	s.	s.	PROPN
eurjchem-2634	547	5	;	;	PUNCT
eurjchem-2634	547	6	katti	katti	PROPN
eurjchem-2634	547	7	,	,	PUNCT
eurjchem-2634	547	8	v.	v.	PROPN
eurjchem-2634	547	9	s.	s.	PROPN
eurjchem-2634	547	10	;	;	PUNCT
eurjchem-2634	547	11	hiremath	hiremath	PROPN
eurjchem-2634	547	12	,	,	PUNCT
eurjchem-2634	547	13	c.	c.	PROPN
eurjchem-2634	547	14	s.	s.	PROPN
eurjchem-2634	547	15	;	;	PUNCT
eurjchem-2634	547	16	hiremath	hiremath	PROPN
eurjchem-2634	547	17	,	,	PUNCT
eurjchem-2634	547	18	s.	s.	PROPN
eurjchem-2634	547	19	m.	m.	PROPN
eurjchem-2634	547	20	;	;	PUNCT
eurjchem-2634	547	21	basanagouda	basanagouda	NOUN
eurjchem-2634	547	22	,	,	PUNCT
eurjchem-2634	547	23	m.	m.	NOUN
eurjchem-2634	547	24	;	;	PUNCT
eurjchem-2634	547	25	radder	radder	X
eurjchem-2634	547	26	,	,	PUNCT
eurjchem-2634	547	27	s.	s.	PROPN
eurjchem-2634	547	28	b.	b.	PROPN
eurjchem-2634	547	29	spectroscopic	spectroscopic	PROPN
eurjchem-2634	547	30	(	(	PUNCT
eurjchem-2634	547	31	ft	ft	NOUN
eurjchem-2634	547	32	-	-	PUNCT
eurjchem-2634	547	33	ir	ir	NOUN
eurjchem-2634	547	34	,	,	PUNCT
eurjchem-2634	547	35	ft	ft	NOUN
eurjchem-2634	547	36	-	-	PUNCT
eurjchem-2634	547	37	raman	raman	NOUN
eurjchem-2634	547	38	,	,	PUNCT
eurjchem-2634	547	39	nmr	nmr	NOUN
eurjchem-2634	547	40	and	and	CCONJ
eurjchem-2634	547	41	uv	uv	NOUN
eurjchem-2634	547	42	-	-	PUNCT
eurjchem-2634	547	43	vis	vis	X
eurjchem-2634	547	44	)	)	PUNCT
eurjchem-2634	547	45	,	,	PUNCT
eurjchem-2634	547	46	elf	elf	PRON
eurjchem-2634	547	47	,	,	PUNCT
eurjchem-2634	547	48	lol	lol	ADJ
eurjchem-2634	547	49	,	,	PUNCT
eurjchem-2634	547	50	nbo	nbo	INTJ
eurjchem-2634	547	51	,	,	PUNCT
eurjchem-2634	547	52	and	and	CCONJ
eurjchem-2634	547	53	fukui	fukui	PROPN
eurjchem-2634	547	54	function	function	NOUN
eurjchem-2634	547	55	investigations	investigation	NOUN
eurjchem-2634	547	56	on	on	ADP
eurjchem-2634	547	57	(	(	PUNCT
eurjchem-2634	547	58	5bromo	5bromo	NUM
eurjchem-2634	547	59	-	-	PUNCT
eurjchem-2634	547	60	benzofuran-3	benzofuran-3	NUM
eurjchem-2634	547	61	-	-	PUNCT
eurjchem-2634	547	62	yl)-acetic	yl)-acetic	ADJ
eurjchem-2634	547	63	acid	acid	NOUN
eurjchem-2634	547	64	hydrazide	hydrazide	NOUN
eurjchem-2634	547	65	(	(	PUNCT
eurjchem-2634	547	66	5bbah	5bbah	NUM
eurjchem-2634	547	67	):	):	PUNCT
eurjchem-2634	547	68	experimental	experimental	ADJ
eurjchem-2634	547	69	and	and	CCONJ
eurjchem-2634	547	70	theoretical	theoretical	ADJ
eurjchem-2634	547	71	approach	approach	NOUN
eurjchem-2634	547	72	.	.	PUNCT
eurjchem-2634	548	1	j.	j.	PROPN
eurjchem-2634	548	2	mol	mol	PROPN
eurjchem-2634	548	3	.	.	PROPN
eurjchem-2634	548	4	struct	struct	NOUN
eurjchem-2634	548	5	.	.	PUNCT
eurjchem-2634	549	1	2019	2019	NUM
eurjchem-2634	549	2	,	,	PUNCT
eurjchem-2634	549	3	1196	1196	NUM
eurjchem-2634	549	4	,	,	PUNCT
eurjchem-2634	549	5	280–290	280–290	NUM
eurjchem-2634	549	6	.	.	PUNCT
eurjchem-2634	550	1	[	[	X
eurjchem-2634	550	2	50	50	NUM
eurjchem-2634	550	3	]	]	PUNCT
eurjchem-2634	550	4	.	.	PUNCT
eurjchem-2634	550	5	thirunavukkarasu	thirunavukkarasu	PROPN
eurjchem-2634	550	6	,	,	PUNCT
eurjchem-2634	550	7	m.	m.	NOUN
eurjchem-2634	550	8	;	;	PUNCT
eurjchem-2634	550	9	prabakaran	prabakaran	NOUN
eurjchem-2634	550	10	,	,	PUNCT
eurjchem-2634	550	11	p.	p.	NOUN
eurjchem-2634	550	12	;	;	PUNCT
eurjchem-2634	550	13	saral	saral	ADJ
eurjchem-2634	550	14	,	,	PUNCT
eurjchem-2634	550	15	a.	a.	NOUN
eurjchem-2634	550	16	;	;	PUNCT
eurjchem-2634	550	17	alharbi	alharbi	NOUN
eurjchem-2634	550	18	,	,	PUNCT
eurjchem-2634	550	19	n.	n.	PROPN
eurjchem-2634	550	20	s.	s.	PROPN
eurjchem-2634	550	21	;	;	PUNCT
eurjchem-2634	550	22	kadaikunnan	kadaikunnan	PROPN
eurjchem-2634	550	23	,	,	PUNCT
eurjchem-2634	550	24	s.	s.	PROPN
eurjchem-2634	550	25	;	;	PUNCT
eurjchem-2634	550	26	kazachenko	kazachenko	PROPN
eurjchem-2634	550	27	,	,	PUNCT
eurjchem-2634	550	28	a.	a.	PROPN
eurjchem-2634	550	29	s.	s.	PROPN
eurjchem-2634	550	30	;	;	PUNCT
eurjchem-2634	550	31	muthu	muthu	PROPN
eurjchem-2634	550	32	,	,	PUNCT
eurjchem-2634	550	33	s.	s.	PROPN
eurjchem-2634	550	34	molecular	molecular	ADJ
eurjchem-2634	550	35	level	level	NOUN
eurjchem-2634	550	36	solvent	solvent	NOUN
eurjchem-2634	550	37	interaction	interaction	NOUN
eurjchem-2634	550	38	(	(	PUNCT
eurjchem-2634	550	39	microscopic	microscopic	NOUN
eurjchem-2634	550	40	)	)	PUNCT
eurjchem-2634	550	41	,	,	PUNCT
eurjchem-2634	550	42	electronic	electronic	ADJ
eurjchem-2634	550	43	,	,	PUNCT
eurjchem-2634	550	44	covalent	covalent	NOUN
eurjchem-2634	550	45	assembly	assembly	NOUN
eurjchem-2634	550	46	(	(	PUNCT
eurjchem-2634	550	47	rdg	rdg	NOUN
eurjchem-2634	550	48	,	,	PUNCT
eurjchem-2634	550	49	aim	aim	NOUN
eurjchem-2634	550	50	&	&	CCONJ
eurjchem-2634	550	51	elf	elf	NUM
eurjchem-2634	550	52	)	)	PUNCT
eurjchem-2634	550	53	,	,	PUNCT
eurjchem-2634	550	54	admet	admet	NOUN
eurjchem-2634	550	55	prediction	prediction	NOUN
eurjchem-2634	550	56	and	and	CCONJ
eurjchem-2634	550	57	anti	anti	ADJ
eurjchem-2634	550	58	-	-	ADJ
eurjchem-2634	550	59	cancer	cancer	ADJ
eurjchem-2634	550	60	activity	activity	NOUN
eurjchem-2634	550	61	of	of	ADP
eurjchem-2634	550	62	1-(4fluorophenyl)-1	1-(4fluorophenyl)-1	NOUN
eurjchem-2634	550	63	-	-	PUNCT
eurjchem-2634	550	64	propanone	propanone	NOUN
eurjchem-2634	550	65	):	):	PUNCT
eurjchem-2634	550	66	cytotoxic	cytotoxic	ADJ
eurjchem-2634	550	67	agent	agent	NOUN
eurjchem-2634	550	68	.	.	PUNCT
eurjchem-2634	551	1	j.	j.	PROPN
eurjchem-2634	551	2	mol	mol	PROPN
eurjchem-2634	551	3	.	.	PROPN
eurjchem-2634	551	4	liq	liq	PROPN
eurjchem-2634	551	5	.	.	PUNCT
eurjchem-2634	552	1	2023	2023	NUM
eurjchem-2634	552	2	,	,	PUNCT
eurjchem-2634	552	3	380	380	NUM
eurjchem-2634	552	4	,	,	PUNCT
eurjchem-2634	552	5	121714	121714	NUM
eurjchem-2634	552	6	.	.	PUNCT
eurjchem-2634	553	1	[	[	X
eurjchem-2634	553	2	51	51	NUM
eurjchem-2634	553	3	]	]	PUNCT
eurjchem-2634	553	4	.	.	PUNCT
eurjchem-2634	554	1	altürk	altürk	PROPN
eurjchem-2634	554	2	,	,	PUNCT
eurjchem-2634	554	3	s.	s.	PROPN
eurjchem-2634	554	4	;	;	PUNCT
eurjchem-2634	554	5	tamer	tame	ADJ
eurjchem-2634	554	6	,	,	PUNCT
eurjchem-2634	554	7	ö.	ö.	PROPN
eurjchem-2634	554	8	;	;	PUNCT
eurjchem-2634	554	9	avcı	avcı	PROPN
eurjchem-2634	554	10	,	,	PUNCT
eurjchem-2634	554	11	d.	d.	PROPN
eurjchem-2634	554	12	;	;	PUNCT
eurjchem-2634	554	13	atalay	atalay	ADJ
eurjchem-2634	554	14	,	,	PUNCT
eurjchem-2634	554	15	y.	y.	NOUN
eurjchem-2634	554	16	synthesis	synthesis	NOUN
eurjchem-2634	554	17	,	,	PUNCT
eurjchem-2634	554	18	spectroscopic	spectroscopic	ADJ
eurjchem-2634	554	19	characterization	characterization	NOUN
eurjchem-2634	554	20	,	,	PUNCT
eurjchem-2634	554	21	second	second	ADJ
eurjchem-2634	554	22	and	and	CCONJ
eurjchem-2634	554	23	third	third	ADJ
eurjchem-2634	554	24	-	-	PUNCT
eurjchem-2634	554	25	order	order	NOUN
eurjchem-2634	554	26	nonlinear	nonlinear	ADJ
eurjchem-2634	554	27	optical	optical	ADJ
eurjchem-2634	554	28	properties	property	NOUN
eurjchem-2634	554	29	,	,	PUNCT
eurjchem-2634	554	30	and	and	CCONJ
eurjchem-2634	554	31	dft	dft	PROPN
eurjchem-2634	554	32	calculations	calculation	NOUN
eurjchem-2634	554	33	of	of	ADP
eurjchem-2634	554	34	a	a	DET
eurjchem-2634	554	35	novel	novel	ADJ
eurjchem-2634	554	36	mn(ii	mn(ii	NOUN
eurjchem-2634	554	37	)	)	PUNCT
eurjchem-2634	554	38	complex	complex	NOUN
eurjchem-2634	554	39	.	.	PUNCT
eurjchem-2634	555	1	j.	j.	PROPN
eurjchem-2634	555	2	organomet	organomet	PROPN
eurjchem-2634	555	3	.	.	PUNCT
eurjchem-2634	556	1	chem	chem	NOUN
eurjchem-2634	556	2	.	.	PUNCT
eurjchem-2634	557	1	2015	2015	NUM
eurjchem-2634	557	2	,	,	PUNCT
eurjchem-2634	557	3	797	797	NUM
eurjchem-2634	557	4	,	,	PUNCT
eurjchem-2634	557	5	110–119	110–119	NUM
eurjchem-2634	557	6	.	.	PUNCT
eurjchem-2634	558	1	[	[	X
eurjchem-2634	558	2	52	52	NUM
eurjchem-2634	558	3	]	]	PUNCT
eurjchem-2634	558	4	.	.	PUNCT
eurjchem-2634	559	1	lescos	lescos	PROPN
eurjchem-2634	559	2	,	,	PUNCT
eurjchem-2634	559	3	l.	l.	PROPN
eurjchem-2634	559	4	;	;	PUNCT
eurjchem-2634	559	5	sitkiewicz	sitkiewicz	NOUN
eurjchem-2634	559	6	,	,	PUNCT
eurjchem-2634	559	7	s.	s.	PROPN
eurjchem-2634	559	8	p.	p.	PROPN
eurjchem-2634	559	9	;	;	PUNCT
eurjchem-2634	559	10	beaujean	beaujean	NOUN
eurjchem-2634	559	11	,	,	PUNCT
eurjchem-2634	559	12	p.	p.	NOUN
eurjchem-2634	559	13	;	;	PUNCT
eurjchem-2634	559	14	blanchard	blanchard	NOUN
eurjchem-2634	559	15	-	-	PUNCT
eurjchem-2634	559	16	desce	desce	NOUN
eurjchem-2634	559	17	,	,	PUNCT
eurjchem-2634	559	18	m.	m.	NOUN
eurjchem-2634	559	19	;	;	PUNCT
eurjchem-2634	559	20	champagne	champagne	PROPN
eurjchem-2634	559	21	,	,	PUNCT
eurjchem-2634	559	22	b.	b.	PROPN
eurjchem-2634	559	23	;	;	PUNCT
eurjchem-2634	559	24	matito	matito	PROPN
eurjchem-2634	559	25	,	,	PUNCT
eurjchem-2634	559	26	e.	e.	PROPN
eurjchem-2634	559	27	;	;	PUNCT
eurjchem-2634	559	28	castet	castet	PROPN
eurjchem-2634	559	29	,	,	PUNCT
eurjchem-2634	559	30	f.	f.	PROPN
eurjchem-2634	559	31	performance	performance	NOUN
eurjchem-2634	559	32	of	of	ADP
eurjchem-2634	559	33	dft	dft	PROPN
eurjchem-2634	559	34	functionals	functional	NOUN
eurjchem-2634	559	35	for	for	ADP
eurjchem-2634	559	36	calculating	calculate	VERB
eurjchem-2634	559	37	the	the	DET
eurjchem-2634	559	38	second	second	ADJ
eurjchem-2634	559	39	-	-	PUNCT
eurjchem-2634	559	40	order	order	NOUN
eurjchem-2634	559	41	nonlinear	nonlinear	ADJ
eurjchem-2634	559	42	optical	optical	ADJ
eurjchem-2634	559	43	properties	property	NOUN
eurjchem-2634	559	44	of	of	ADP
eurjchem-2634	559	45	dipolar	dipolar	ADJ
eurjchem-2634	559	46	merocyanines	merocyanine	NOUN
eurjchem-2634	559	47	.	.	PUNCT
eurjchem-2634	560	1	phys	phy	NOUN
eurjchem-2634	560	2	.	.	PUNCT
eurjchem-2634	561	1	chem	chem	PROPN
eurjchem-2634	561	2	.	.	PUNCT
eurjchem-2634	562	1	chem	chem	NOUN
eurjchem-2634	562	2	.	.	PUNCT
eurjchem-2634	563	1	phys	phy	NOUN
eurjchem-2634	563	2	.	.	PUNCT
eurjchem-2634	564	1	2020	2020	NUM
eurjchem-2634	564	2	,	,	PUNCT
eurjchem-2634	564	3	22	22	NUM
eurjchem-2634	564	4	(	(	PUNCT
eurjchem-2634	564	5	29	29	NUM
eurjchem-2634	564	6	)	)	PUNCT
eurjchem-2634	564	7	,	,	PUNCT
eurjchem-2634	564	8	16579	16579	NUM
eurjchem-2634	564	9	–	–	PUNCT
eurjchem-2634	564	10	16594	16594	NUM
eurjchem-2634	564	11	.	.	PUNCT
eurjchem-2634	565	1	[	[	X
eurjchem-2634	565	2	53	53	NUM
eurjchem-2634	565	3	]	]	PUNCT
eurjchem-2634	565	4	.	.	PUNCT
eurjchem-2634	566	1	zhang	zhang	PROPN
eurjchem-2634	566	2	,	,	PUNCT
eurjchem-2634	566	3	r.	r.	PROPN
eurjchem-2634	566	4	;	;	PUNCT
eurjchem-2634	566	5	du	du	PROPN
eurjchem-2634	566	6	,	,	PUNCT
eurjchem-2634	566	7	b.	b.	PROPN
eurjchem-2634	566	8	;	;	PUNCT
eurjchem-2634	566	9	sun	sun	PROPN
eurjchem-2634	566	10	,	,	PUNCT
eurjchem-2634	566	11	g.	g.	PROPN
eurjchem-2634	566	12	;	;	PUNCT
eurjchem-2634	566	13	sun	sun	NOUN
eurjchem-2634	566	14	,	,	PUNCT
eurjchem-2634	566	15	y.	y.	PROPN
eurjchem-2634	566	16	experimental	experimental	ADJ
eurjchem-2634	566	17	and	and	CCONJ
eurjchem-2634	566	18	theoretical	theoretical	ADJ
eurjchem-2634	566	19	studies	study	NOUN
eurjchem-2634	566	20	on	on	ADP
eurjchem-2634	566	21	o-	o-	X
eurjchem-2634	566	22	,	,	PUNCT
eurjchem-2634	566	23	mand	mand	NOUN
eurjchem-2634	566	24	p	p	NOUN
eurjchem-2634	566	25	-	-	PUNCT
eurjchem-2634	566	26	chlorobenzylideneaminoantipyrines	chlorobenzylideneaminoantipyrine	NOUN
eurjchem-2634	566	27	.	.	PUNCT
eurjchem-2634	567	1	spectrochim	spectrochim	PROPN
eurjchem-2634	567	2	.	.	PUNCT
eurjchem-2634	568	1	acta	acta	PROPN
eurjchem-2634	568	2	a	a	DET
eurjchem-2634	568	3	:	:	SYM
eurjchem-2634	568	4	mol	mol	PROPN
eurjchem-2634	568	5	.	.	PROPN
eurjchem-2634	568	6	biomol	biomol	PROPN
eurjchem-2634	568	7	.	.	PUNCT
eurjchem-2634	569	1	spectrosc	spectrosc	PROPN
eurjchem-2634	569	2	.	.	PUNCT
eurjchem-2634	570	1	2010	2010	NUM
eurjchem-2634	570	2	,	,	PUNCT
eurjchem-2634	570	3	75	75	NUM
eurjchem-2634	570	4	(	(	PUNCT
eurjchem-2634	570	5	3	3	NUM
eurjchem-2634	570	6	)	)	PUNCT
eurjchem-2634	570	7	,	,	PUNCT
eurjchem-2634	570	8	1115–1124	1115–1124	NUM
eurjchem-2634	570	9	.	.	PUNCT
eurjchem-2634	571	1	[	[	X
eurjchem-2634	571	2	54	54	NUM
eurjchem-2634	571	3	]	]	PUNCT
eurjchem-2634	571	4	.	.	PUNCT
eurjchem-2634	572	1	karamanis	karamanis	PROPN
eurjchem-2634	572	2	,	,	PUNCT
eurjchem-2634	572	3	p.	p.	NOUN
eurjchem-2634	572	4	;	;	PUNCT
eurjchem-2634	572	5	pouchan	pouchan	PROPN
eurjchem-2634	572	6	,	,	PUNCT
eurjchem-2634	572	7	c.	c.	NOUN
eurjchem-2634	572	8	;	;	PUNCT
eurjchem-2634	572	9	maroulis	maroulis	PROPN
eurjchem-2634	572	10	,	,	PUNCT
eurjchem-2634	572	11	g.	g.	PROPN
eurjchem-2634	572	12	structure	structure	NOUN
eurjchem-2634	572	13	,	,	PUNCT
eurjchem-2634	572	14	stability	stability	NOUN
eurjchem-2634	572	15	,	,	PUNCT
eurjchem-2634	572	16	dipole	dipole	NOUN
eurjchem-2634	572	17	polarizability	polarizability	NOUN
eurjchem-2634	572	18	and	and	CCONJ
eurjchem-2634	572	19	differential	differential	ADJ
eurjchem-2634	572	20	polarizability	polarizability	NOUN
eurjchem-2634	572	21	in	in	ADP
eurjchem-2634	572	22	small	small	ADJ
eurjchem-2634	572	23	gallium	gallium	NOUN
eurjchem-2634	572	24	arsenide	arsenide	NOUN
eurjchem-2634	572	25	clusters	cluster	NOUN
eurjchem-2634	572	26	from	from	ADP
eurjchem-2634	572	27	all	all	ADV
eurjchem-2634	572	28	-	-	PUNCT
eurjchem-2634	572	29	electronab	electronab	NOUN
eurjchem-2634	572	30	initioand	initioand	NOUN
eurjchem-2634	572	31	density	density	NOUN
eurjchem-2634	572	32	-	-	PUNCT
eurjchem-2634	572	33	functional	functional	ADJ
eurjchem-2634	572	34	-	-	PUNCT
eurjchem-2634	572	35	theory	theory	NOUN
eurjchem-2634	572	36	calculations	calculation	NOUN
eurjchem-2634	572	37	.	.	PUNCT
eurjchem-2634	573	1	phys	phy	NOUN
eurjchem-2634	573	2	.	.	PUNCT
eurjchem-2634	574	1	rev	rev	PROPN
eurjchem-2634	574	2	.	.	PUNCT
eurjchem-2634	574	3	a.	a.	PROPN
eurjchem-2634	574	4	2008	2008	NUM
eurjchem-2634	574	5	,	,	PUNCT
eurjchem-2634	574	6	77	77	NUM
eurjchem-2634	574	7	(	(	PUNCT
eurjchem-2634	574	8	1	1	NUM
eurjchem-2634	574	9	)	)	PUNCT
eurjchem-2634	574	10	,	,	PUNCT
eurjchem-2634	574	11	https://doi.org/10.1103/physreva.77.013201	https://doi.org/10.1103/physreva.77.013201	NOUN
eurjchem-2634	574	12	.	.	PUNCT
eurjchem-2634	575	1	[	[	X
eurjchem-2634	575	2	55	55	NUM
eurjchem-2634	575	3	]	]	PUNCT
eurjchem-2634	575	4	.	.	PUNCT
eurjchem-2634	576	1	sethi	sethi	PROPN
eurjchem-2634	576	2	,	,	PUNCT
eurjchem-2634	576	3	a.	a.	PROPN
eurjchem-2634	576	4	;	;	PUNCT
eurjchem-2634	576	5	singh	singh	PROPN
eurjchem-2634	576	6	,	,	PUNCT
eurjchem-2634	576	7	r.	r.	PROPN
eurjchem-2634	576	8	p.	p.	PROPN
eurjchem-2634	576	9	;	;	PUNCT
eurjchem-2634	576	10	shukla	shukla	PROPN
eurjchem-2634	576	11	,	,	PUNCT
eurjchem-2634	576	12	d.	d.	PROPN
eurjchem-2634	576	13	;	;	PUNCT
eurjchem-2634	576	14	singh	singh	PROPN
eurjchem-2634	576	15	,	,	PUNCT
eurjchem-2634	576	16	p.	p.	NOUN
eurjchem-2634	576	17	synthesis	synthesis	NOUN
eurjchem-2634	576	18	of	of	ADP
eurjchem-2634	576	19	novel	novel	ADJ
eurjchem-2634	576	20	pregnanediosgenin	pregnanediosgenin	NOUN
eurjchem-2634	576	21	prodrugs	prodrug	NOUN
eurjchem-2634	576	22	via	via	ADP
eurjchem-2634	576	23	ring	ring	NOUN
eurjchem-2634	576	24	a	a	PRON
eurjchem-2634	576	25	and	and	CCONJ
eurjchem-2634	576	26	ring	ring	VERB
eurjchem-2634	576	27	a	a	DET
eurjchem-2634	576	28	connection	connection	NOUN
eurjchem-2634	576	29	:	:	PUNCT
eurjchem-2634	576	30	a	a	DET
eurjchem-2634	576	31	combined	combined	ADJ
eurjchem-2634	576	32	experimental	experimental	ADJ
eurjchem-2634	576	33	and	and	CCONJ
eurjchem-2634	576	34	theoretical	theoretical	ADJ
eurjchem-2634	576	35	studies	study	NOUN
eurjchem-2634	576	36	.	.	PUNCT
eurjchem-2634	577	1	j.	j.	PROPN
eurjchem-2634	577	2	mol	mol	PROPN
eurjchem-2634	577	3	.	.	PROPN
eurjchem-2634	577	4	struct	struct	NOUN
eurjchem-2634	577	5	.	.	PUNCT
eurjchem-2634	578	1	2016	2016	NUM
eurjchem-2634	578	2	,	,	PUNCT
eurjchem-2634	578	3	1125	1125	NUM
eurjchem-2634	578	4	,	,	PUNCT
eurjchem-2634	578	5	616	616	NUM
eurjchem-2634	578	6	–	–	PUNCT
eurjchem-2634	578	7	623	623	NUM
eurjchem-2634	578	8	.	.	PUNCT
eurjchem-2634	579	1	copyright	copyright	NOUN
eurjchem-2634	579	2	©	©	PROPN
eurjchem-2634	579	3	2025	2025	NUM
eurjchem-2634	579	4	by	by	ADP
eurjchem-2634	579	5	authors	author	NOUN
eurjchem-2634	579	6	.	.	PUNCT
eurjchem-2634	580	1	this	this	DET
eurjchem-2634	580	2	work	work	NOUN
eurjchem-2634	580	3	is	be	AUX
eurjchem-2634	580	4	published	publish	VERB
eurjchem-2634	580	5	and	and	CCONJ
eurjchem-2634	580	6	licensed	license	VERB
eurjchem-2634	580	7	by	by	ADP
eurjchem-2634	580	8	atlanta	atlanta	PROPN
eurjchem-2634	580	9	publishing	publishing	PROPN
eurjchem-2634	580	10	house	house	PROPN
eurjchem-2634	580	11	llc	llc	PROPN
eurjchem-2634	580	12	,	,	PUNCT
eurjchem-2634	580	13	atlanta	atlanta	PROPN
eurjchem-2634	580	14	,	,	PUNCT
eurjchem-2634	580	15	ga	ga	PROPN
eurjchem-2634	580	16	,	,	PUNCT
eurjchem-2634	580	17	usa	usa	PROPN
eurjchem-2634	580	18	.	.	PUNCT
eurjchem-2634	581	1	the	the	DET
eurjchem-2634	581	2	full	full	ADJ
eurjchem-2634	581	3	terms	term	NOUN
eurjchem-2634	581	4	of	of	ADP
eurjchem-2634	581	5	this	this	DET
eurjchem-2634	581	6	license	license	NOUN
eurjchem-2634	581	7	are	be	AUX
eurjchem-2634	581	8	available	available	ADJ
eurjchem-2634	581	9	at	at	ADP
eurjchem-2634	581	10	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2634	581	11	and	and	CCONJ
eurjchem-2634	581	12	incorporate	incorporate	VERB
eurjchem-2634	581	13	the	the	DET
eurjchem-2634	581	14	creative	creative	ADJ
eurjchem-2634	581	15	commons	common	NOUN
eurjchem-2634	581	16	attribution	attribution	NOUN
eurjchem-2634	581	17	-	-	PUNCT
eurjchem-2634	581	18	non	non	ADJ
eurjchem-2634	581	19	commercial	commercial	NOUN
eurjchem-2634	581	20	(	(	PUNCT
eurjchem-2634	581	21	cc	cc	NOUN
eurjchem-2634	581	22	by	by	ADP
eurjchem-2634	581	23	nc	nc	PROPN
eurjchem-2634	581	24	)	)	PUNCT
eurjchem-2634	581	25	(	(	PUNCT
eurjchem-2634	581	26	international	international	ADJ
eurjchem-2634	581	27	,	,	PUNCT
eurjchem-2634	581	28	v4.0	v4.0	NOUN
eurjchem-2634	581	29	)	)	PUNCT
eurjchem-2634	581	30	license	license	NOUN
eurjchem-2634	581	31	(	(	PUNCT
eurjchem-2634	581	32	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	NOUN
eurjchem-2634	581	33	)	)	PUNCT
eurjchem-2634	581	34	.	.	PUNCT
eurjchem-2634	582	1	by	by	ADP
eurjchem-2634	582	2	accessing	access	VERB
eurjchem-2634	582	3	the	the	DET
eurjchem-2634	582	4	work	work	NOUN
eurjchem-2634	582	5	,	,	PUNCT
eurjchem-2634	582	6	you	you	PRON
eurjchem-2634	582	7	hereby	hereby	ADV
eurjchem-2634	582	8	accept	accept	VERB
eurjchem-2634	582	9	the	the	DET
eurjchem-2634	582	10	terms	term	NOUN
eurjchem-2634	582	11	.	.	PUNCT
eurjchem-2634	583	1	this	this	PRON
eurjchem-2634	583	2	is	be	AUX
eurjchem-2634	583	3	an	an	DET
eurjchem-2634	583	4	open	open	ADJ
eurjchem-2634	583	5	access	access	NOUN
eurjchem-2634	583	6	article	article	NOUN
eurjchem-2634	583	7	distributed	distribute	VERB
eurjchem-2634	583	8	under	under	ADP
eurjchem-2634	583	9	the	the	DET
eurjchem-2634	583	10	terms	term	NOUN
eurjchem-2634	583	11	and	and	CCONJ
eurjchem-2634	583	12	conditions	condition	NOUN
eurjchem-2634	583	13	of	of	ADP
eurjchem-2634	583	14	the	the	DET
eurjchem-2634	583	15	cc	cc	PROPN
eurjchem-2634	583	16	by	by	ADP
eurjchem-2634	583	17	nc	nc	PROPN
eurjchem-2634	583	18	license	license	PROPN
eurjchem-2634	583	19	,	,	PUNCT
eurjchem-2634	583	20	which	which	PRON
eurjchem-2634	583	21	permits	permit	VERB
eurjchem-2634	583	22	unrestricted	unrestricted	ADJ
eurjchem-2634	583	23	non	non	ADJ
eurjchem-2634	583	24	-	-	ADJ
eurjchem-2634	583	25	commercial	commercial	ADJ
eurjchem-2634	583	26	use	use	NOUN
eurjchem-2634	583	27	,	,	PUNCT
eurjchem-2634	583	28	distribution	distribution	NOUN
eurjchem-2634	583	29	,	,	PUNCT
eurjchem-2634	583	30	and	and	CCONJ
eurjchem-2634	583	31	reproduction	reproduction	NOUN
eurjchem-2634	583	32	in	in	ADP
eurjchem-2634	583	33	any	any	DET
eurjchem-2634	583	34	medium	medium	NOUN
eurjchem-2634	583	35	,	,	PUNCT
eurjchem-2634	583	36	provided	provide	VERB
eurjchem-2634	583	37	the	the	DET
eurjchem-2634	583	38	original	original	ADJ
eurjchem-2634	583	39	work	work	NOUN
eurjchem-2634	583	40	is	be	AUX
eurjchem-2634	583	41	properly	properly	ADV
eurjchem-2634	583	42	cited	cite	VERB
eurjchem-2634	583	43	without	without	ADP
eurjchem-2634	583	44	any	any	DET
eurjchem-2634	583	45	further	further	ADJ
eurjchem-2634	583	46	permission	permission	NOUN
eurjchem-2634	583	47	from	from	ADP
eurjchem-2634	583	48	atlanta	atlanta	PROPN
eurjchem-2634	583	49	publishing	publishing	PROPN
eurjchem-2634	583	50	house	house	PROPN
eurjchem-2634	583	51	llc	llc	PROPN
eurjchem-2634	583	52	(	(	PUNCT
eurjchem-2634	583	53	european	european	PROPN
eurjchem-2634	583	54	journal	journal	PROPN
eurjchem-2634	583	55	of	of	ADP
eurjchem-2634	583	56	chemistry	chemistry	NOUN
eurjchem-2634	583	57	)	)	PUNCT
eurjchem-2634	583	58	.	.	PUNCT
eurjchem-2634	584	1	no	no	DET
eurjchem-2634	584	2	use	use	NOUN
eurjchem-2634	584	3	,	,	PUNCT
eurjchem-2634	584	4	distribution	distribution	NOUN
eurjchem-2634	584	5	,	,	PUNCT
eurjchem-2634	584	6	or	or	CCONJ
eurjchem-2634	584	7	reproduction	reproduction	NOUN
eurjchem-2634	584	8	is	be	AUX
eurjchem-2634	584	9	permitted	permit	VERB
eurjchem-2634	584	10	which	which	PRON
eurjchem-2634	584	11	does	do	AUX
eurjchem-2634	584	12	not	not	PART
eurjchem-2634	584	13	comply	comply	VERB
eurjchem-2634	584	14	with	with	ADP
eurjchem-2634	584	15	these	these	DET
eurjchem-2634	584	16	terms	term	NOUN
eurjchem-2634	584	17	.	.	PUNCT
eurjchem-2634	585	1	permissions	permission	NOUN
eurjchem-2634	585	2	for	for	ADP
eurjchem-2634	585	3	commercial	commercial	ADJ
eurjchem-2634	585	4	use	use	NOUN
eurjchem-2634	585	5	of	of	ADP
eurjchem-2634	585	6	this	this	DET
eurjchem-2634	585	7	work	work	NOUN
eurjchem-2634	585	8	beyond	beyond	ADP
eurjchem-2634	585	9	the	the	DET
eurjchem-2634	585	10	scope	scope	NOUN
eurjchem-2634	585	11	of	of	ADP
eurjchem-2634	585	12	the	the	DET
eurjchem-2634	585	13	license	license	NOUN
eurjchem-2634	585	14	(	(	PUNCT
eurjchem-2634	585	15	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2634	585	16	)	)	PUNCT
eurjchem-2634	585	17	are	be	AUX
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eurjchem-2634	585	20	atlanta	atlanta	PROPN
eurjchem-2634	585	21	publishing	publishing	PROPN
eurjchem-2634	585	22	house	house	PROPN
eurjchem-2634	585	23	llc	llc	PROPN
eurjchem-2634	585	24	(	(	PUNCT
eurjchem-2634	585	25	european	european	PROPN
eurjchem-2634	585	26	journal	journal	PROPN
eurjchem-2634	585	27	of	of	ADP
eurjchem-2634	585	28	chemistry	chemistry	NOUN
eurjchem-2634	585	29	)	)	PUNCT
eurjchem-2634	585	30	.	.	PUNCT
eurjchem-2634	586	1	https://doi.org/10.1103/physreva.77.013201	https://doi.org/10.1103/physreva.77.013201	NOUN
eurjchem-2634	586	2	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	VERB
eurjchem-2634	586	3	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-2634	586	4	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/terms	NOUN
eurjchem-2634	586	5	1	1	NUM
eurjchem-2634	586	6	.	.	PUNCT
eurjchem-2634	586	7	introduction	introduction	NOUN
eurjchem-2634	586	8	2	2	NUM
eurjchem-2634	586	9	.	.	PUNCT
eurjchem-2634	586	10	experimental	experimental	ADJ
eurjchem-2634	586	11	3	3	NUM
eurjchem-2634	586	12	.	.	PUNCT
eurjchem-2634	586	13	results	result	NOUN
eurjchem-2634	586	14	and	and	CCONJ
eurjchem-2634	586	15	discussion	discussion	NOUN
eurjchem-2634	586	16	3.1	3.1	NUM
eurjchem-2634	586	17	.	.	PUNCT
eurjchem-2634	587	1	conformational	conformational	ADJ
eurjchem-2634	587	2	analysis	analysis	NOUN
eurjchem-2634	587	3	and	and	CCONJ
eurjchem-2634	587	4	optimization	optimization	NOUN
eurjchem-2634	587	5	calculations	calculation	NOUN
eurjchem-2634	587	6	3.2	3.2	NUM
eurjchem-2634	587	7	.	.	PUNCT
eurjchem-2634	588	1	frequency	frequency	NOUN
eurjchem-2634	588	2	analysis	analysis	NOUN
eurjchem-2634	588	3	3.3	3.3	NUM
eurjchem-2634	588	4	.	.	PUNCT
eurjchem-2634	589	1	1h	1h	NUM
eurjchem-2634	589	2	and	and	CCONJ
eurjchem-2634	589	3	13c	13c	NOUN
eurjchem-2634	589	4	nmr	nmr	NOUN
eurjchem-2634	589	5	analyses	analyse	VERB
eurjchem-2634	589	6	3.4	3.4	NUM
eurjchem-2634	589	7	.	.	PUNCT
eurjchem-2634	589	8	frontier	frontier	NOUN
eurjchem-2634	589	9	molecular	molecular	ADJ
eurjchem-2634	589	10	orbitals	orbital	NOUN
eurjchem-2634	589	11	(	(	PUNCT
eurjchem-2634	589	12	fmos	fmos	PROPN
eurjchem-2634	589	13	)	)	PUNCT
eurjchem-2634	589	14	3.5	3.5	NUM
eurjchem-2634	589	15	.	.	PUNCT
eurjchem-2634	590	1	total	total	ADJ
eurjchem-2634	590	2	partial	partial	ADJ
eurjchem-2634	590	3	and	and	CCONJ
eurjchem-2634	590	4	overlap	overlap	VERB
eurjchem-2634	590	5	population	population	NOUN
eurjchem-2634	590	6	density	density	NOUN
eurjchem-2634	590	7	-	-	PUNCT
eurjchem-2634	590	8	of	of	ADP
eurjchem-2634	590	9	-	-	PUNCT
eurjchem-2634	590	10	states	state	NOUN
eurjchem-2634	590	11	3.6	3.6	NUM
eurjchem-2634	590	12	.	.	PUNCT
eurjchem-2634	591	1	uv	uv	NOUN
eurjchem-2634	591	2	-	-	PUNCT
eurjchem-2634	591	3	vis	vis	X
eurjchem-2634	591	4	analysis	analysis	NOUN
eurjchem-2634	591	5	3.7	3.7	NUM
eurjchem-2634	591	6	.	.	PUNCT
eurjchem-2634	591	7	natural	natural	ADJ
eurjchem-2634	591	8	bond	bond	NOUN
eurjchem-2634	591	9	orbital	orbital	NOUN
eurjchem-2634	591	10	(	(	PUNCT
eurjchem-2634	591	11	nbo	nbo	NOUN
eurjchem-2634	591	12	)	)	PUNCT
eurjchem-2634	591	13	study	study	NOUN
eurjchem-2634	591	14	3.8	3.8	NUM
eurjchem-2634	591	15	.	.	PUNCT
eurjchem-2634	592	1	nci	nci	PROPN
eurjchem-2634	592	2	-	-	PUNCT
eurjchem-2634	592	3	rdg	rdg	NOUN
eurjchem-2634	592	4	analysis	analysis	NOUN
eurjchem-2634	592	5	3.9	3.9	NUM
eurjchem-2634	592	6	.	.	PUNCT
eurjchem-2634	593	1	mep	mep	PROPN
eurjchem-2634	593	2	analysis	analysis	NOUN
eurjchem-2634	593	3	3.10	3.10	NUM
eurjchem-2634	593	4	.	.	PUNCT
eurjchem-2634	594	1	charge	charge	NOUN
eurjchem-2634	594	2	analyses	analyse	VERB
eurjchem-2634	594	3	3.11	3.11	NUM
eurjchem-2634	594	4	.	.	PUNCT
eurjchem-2634	595	1	elf	elf	PRON
eurjchem-2634	595	2	(	(	PUNCT
eurjchem-2634	595	3	electron	electron	NOUN
eurjchem-2634	595	4	localization	localization	NOUN
eurjchem-2634	595	5	function	function	NOUN
eurjchem-2634	595	6	)	)	PUNCT
eurjchem-2634	595	7	and	and	CCONJ
eurjchem-2634	595	8	lol	lol	ADJ
eurjchem-2634	595	9	(	(	PUNCT
eurjchem-2634	595	10	localized	localized	ADJ
eurjchem-2634	595	11	orbital	orbital	ADJ
eurjchem-2634	595	12	locator	locator	NOUN
eurjchem-2634	595	13	)	)	PUNCT
eurjchem-2634	595	14	analysis	analysis	NOUN
eurjchem-2634	595	15	3.12	3.12	NUM
eurjchem-2634	595	16	.	.	PUNCT
eurjchem-2634	596	1	nonlinear	nonlinear	ADJ
eurjchem-2634	596	2	optical	optical	ADJ
eurjchem-2634	596	3	property	property	NOUN
eurjchem-2634	596	4	analysis	analysis	NOUN
eurjchem-2634	596	5	4	4	NUM
eurjchem-2634	596	6	.	.	PUNCT
eurjchem-2634	597	1	conclusions	conclusion	NOUN
eurjchem-2634	597	2	acknowledgements	acknowledgement	VERB
eurjchem-2634	597	3	disclosure	disclosure	NOUN
eurjchem-2634	597	4	statement	statement	NOUN
eurjchem-2634	597	5	orcid	orcid	NOUN
eurjchem-2634	597	6	and	and	CCONJ
eurjchem-2634	597	7	email	email	NOUN
eurjchem-2634	597	8	references	reference	NOUN
eurjchem-2634	597	9	printfield10	printfield10	PROPN
eurjchem-2634	597	10	:	:	PUNCT
eurjchem-2634	597	11	printfield11	printfield11	NOUN
eurjchem-2634	597	12	:	:	PUNCT
eurjchem-2634	597	13	printfield12	printfield12	PROPN
eurjchem-2634	597	14	:	:	PUNCT
eurjchem-2634	597	15	printfield13	printfield13	VERB
eurjchem-2634	597	16	:	:	PUNCT
eurjchem-2634	597	17	printfield14	printfield14	NOUN
eurjchem-2634	597	18	:	:	PUNCT
eurjchem-2634	597	19	printfield15	printfield15	NOUN
eurjchem-2634	597	20	:	:	PUNCT
eurjchem-2634	597	21	printfield16	printfield16	ADJ
eurjchem-2634	597	22	:	:	PUNCT
eurjchem-2634	597	23	printfield17	printfield17	NOUN
eurjchem-2634	597	24	:	:	PUNCT
eurjchem-2634	597	25	printfield18	printfield18	NOUN
eurjchem-2634	597	26	:	:	PUNCT
eurjchem-2634	597	27	printfield19	printfield19	NOUN
eurjchem-2634	597	28	:	:	PUNCT
eurjchem-2634	597	29	printfield110	printfield110	PROPN
eurjchem-2634	597	30	:	:	PUNCT
eurjchem-2634	597	31	printfield111	printfield111	PROPN
eurjchem-2634	597	32	:	:	PUNCT
eurjchem-2634	597	33	printfield112	printfield112	PROPN
eurjchem-2634	597	34	:	:	PUNCT
eurjchem-2634	597	35	printfield20	printfield20	PROPN
eurjchem-2634	597	36	:	:	PUNCT
eurjchem-2634	597	37	printfield21	printfield21	ADJ
eurjchem-2634	597	38	:	:	PUNCT
eurjchem-2634	597	39	printfield22	printfield22	NOUN
eurjchem-2634	597	40	:	:	PUNCT
eurjchem-2634	597	41	printfield23	printfield23	NOUN
eurjchem-2634	597	42	:	:	PUNCT
eurjchem-2634	597	43	printfield24	printfield24	NOUN
eurjchem-2634	597	44	:	:	PUNCT
eurjchem-2634	597	45	printfield25	printfield25	NOUN
eurjchem-2634	597	46	:	:	PUNCT
eurjchem-2634	597	47	printfield26	printfield26	ADJ
eurjchem-2634	597	48	:	:	PUNCT
eurjchem-2634	597	49	printfield27	printfield27	NOUN
eurjchem-2634	597	50	:	:	PUNCT
eurjchem-2634	597	51	printfield28	printfield28	NOUN
eurjchem-2634	597	52	:	:	PUNCT
eurjchem-2634	597	53	printfield29	printfield29	ADV
eurjchem-2634	597	54	:	:	PUNCT
eurjchem-2634	597	55	printfield210	printfield210	PROPN
eurjchem-2634	597	56	:	:	PUNCT
eurjchem-2634	597	57	printfield211	printfield211	PROPN
eurjchem-2634	597	58	:	:	PUNCT
eurjchem-2634	597	59	printfield212	printfield212	PROPN
eurjchem-2634	597	60	:	:	PUNCT