id	sid	tid	token	lemma	pos
eurjchem-2657	1	1	effects	effect	NOUN
eurjchem-2657	1	2	of	of	ADP
eurjchem-2657	1	3	solvents	solvent	NOUN
eurjchem-2657	1	4	on	on	ADP
eurjchem-2657	1	5	the	the	DET
eurjchem-2657	1	6	aromaticity	aromaticity	NOUN
eurjchem-2657	1	7	and	and	CCONJ
eurjchem-2657	1	8	thermodynamic	thermodynamic	ADJ
eurjchem-2657	1	9	properties	property	NOUN
eurjchem-2657	1	10	of	of	ADP
eurjchem-2657	1	11	azacalix[2]arene[2]pyrimidines	azacalix[2]arene[2]pyrimidine	NOUN
eurjchem-2657	1	12	:	:	PUNCT
eurjchem-2657	1	13	a	a	DET
eurjchem-2657	1	14	computational	computational	ADJ
eurjchem-2657	1	15	study	study	NOUN
eurjchem-2657	1	16	european	european	PROPN
eurjchem-2657	1	17	journal	journal	PROPN
eurjchem-2657	1	18	of	of	ADP
eurjchem-2657	1	19	chemistry	chemistry	NOUN
eurjchem-2657	1	20	16	16	NUM
eurjchem-2657	1	21	(	(	PUNCT
eurjchem-2657	1	22	3	3	NUM
eurjchem-2657	1	23	)	)	PUNCT
eurjchem-2657	1	24	(	(	PUNCT
eurjchem-2657	1	25	2025	2025	NUM
eurjchem-2657	1	26	)	)	PUNCT
eurjchem-2657	1	27	267	267	NUM
eurjchem-2657	1	28	-	-	SYM
eurjchem-2657	1	29	274	274	NUM
eurjchem-2657	1	30	european	european	ADJ
eurjchem-2657	1	31	journal	journal	NOUN
eurjchem-2657	1	32	of	of	ADP
eurjchem-2657	1	33	chemistry	chemistry	NOUN
eurjchem-2657	1	34	issn	issn	VERB
eurjchem-2657	1	35	2153	2153	NUM
eurjchem-2657	1	36	-	-	SYM
eurjchem-2657	1	37	2249	2249	NUM
eurjchem-2657	1	38	(	(	PUNCT
eurjchem-2657	1	39	print	print	NOUN
eurjchem-2657	1	40	)	)	PUNCT
eurjchem-2657	1	41	/	/	PUNCT
eurjchem-2657	1	42	issn	issn	PROPN
eurjchem-2657	1	43	2153	2153	NUM
eurjchem-2657	1	44	-	-	SYM
eurjchem-2657	1	45	2257	2257	NUM
eurjchem-2657	1	46	(	(	PUNCT
eurjchem-2657	1	47	online	online	ADJ
eurjchem-2657	1	48	)	)	PUNCT
eurjchem-2657	1	49	–	–	PUNCT
eurjchem-2657	2	1	copyright	copyright	NOUN
eurjchem-2657	2	2	©	©	PROPN
eurjchem-2657	2	3	2025	2025	NUM
eurjchem-2657	2	4	the	the	DET
eurjchem-2657	2	5	authors	author	NOUN
eurjchem-2657	2	6	–	–	PUNCT
eurjchem-2657	2	7	atlanta	atlanta	PROPN
eurjchem-2657	2	8	publishing	publishing	PROPN
eurjchem-2657	2	9	house	house	PROPN
eurjchem-2657	2	10	llc	llc	PROPN
eurjchem-2657	2	11	–	–	PUNCT
eurjchem-2657	2	12	printed	print	VERB
eurjchem-2657	2	13	in	in	ADP
eurjchem-2657	2	14	the	the	DET
eurjchem-2657	2	15	usa	usa	PROPN
eurjchem-2657	2	16	.	.	PUNCT
eurjchem-2657	3	1	this	this	DET
eurjchem-2657	3	2	work	work	NOUN
eurjchem-2657	3	3	is	be	AUX
eurjchem-2657	3	4	published	publish	VERB
eurjchem-2657	3	5	and	and	CCONJ
eurjchem-2657	3	6	licensed	license	VERB
eurjchem-2657	3	7	by	by	ADP
eurjchem-2657	3	8	atlanta	atlanta	PROPN
eurjchem-2657	3	9	publishing	publishing	PROPN
eurjchem-2657	3	10	house	house	PROPN
eurjchem-2657	3	11	llc	llc	PROPN
eurjchem-2657	3	12	–	–	PUNCT
eurjchem-2657	3	13	cc	cc	PROPN
eurjchem-2657	3	14	by	by	ADP
eurjchem-2657	3	15	nc	nc	PROPN
eurjchem-2657	3	16	–	–	PUNCT
eurjchem-2657	3	17	some	some	DET
eurjchem-2657	3	18	rights	right	NOUN
eurjchem-2657	3	19	reserved	reserve	VERB
eurjchem-2657	3	20	.	.	PUNCT
eurjchem-2657	4	1	https://dx.doi.org/10.5155/eurjchem.16.3.267-274.2657	https://dx.doi.org/10.5155/eurjchem.16.3.267-274.2657	PROPN
eurjchem-2657	4	2	european	european	PROPN
eurjchem-2657	4	3	journal	journal	PROPN
eurjchem-2657	4	4	of	of	ADP
eurjchem-2657	4	5	chemistry	chemistry	NOUN
eurjchem-2657	4	6	view	view	NOUN
eurjchem-2657	4	7	journal	journal	PROPN
eurjchem-2657	4	8	online	online	PROPN
eurjchem-2657	4	9	view	view	NOUN
eurjchem-2657	4	10	article	article	NOUN
eurjchem-2657	4	11	online	online	ADJ
eurjchem-2657	4	12	effects	effect	NOUN
eurjchem-2657	4	13	of	of	ADP
eurjchem-2657	4	14	solvents	solvent	NOUN
eurjchem-2657	4	15	on	on	ADP
eurjchem-2657	4	16	the	the	DET
eurjchem-2657	4	17	aromaticity	aromaticity	NOUN
eurjchem-2657	4	18	and	and	CCONJ
eurjchem-2657	4	19	thermodynamic	thermodynamic	ADJ
eurjchem-2657	4	20	properties	property	NOUN
eurjchem-2657	4	21	of	of	ADP
eurjchem-2657	4	22	azacalix[2]arene[2]pyrimidines	azacalix[2]arene[2]pyrimidine	NOUN
eurjchem-2657	4	23	:	:	PUNCT
eurjchem-2657	4	24	a	a	DET
eurjchem-2657	4	25	computational	computational	ADJ
eurjchem-2657	4	26	study	study	NOUN
eurjchem-2657	4	27	alihan	alihan	NOUN
eurjchem-2657	4	28	tosun	tosun	NOUN
eurjchem-2657	4	29	and	and	CCONJ
eurjchem-2657	4	30	fatma	fatma	ADJ
eurjchem-2657	4	31	kandemirli	kandemirli	PROPN
eurjchem-2657	4	32	*	*	PUNCT
eurjchem-2657	4	33	department	department	PROPN
eurjchem-2657	4	34	of	of	ADP
eurjchem-2657	4	35	biomedical	biomedical	ADJ
eurjchem-2657	4	36	engineering	engineering	NOUN
eurjchem-2657	4	37	,	,	PUNCT
eurjchem-2657	4	38	faculty	faculty	NOUN
eurjchem-2657	4	39	of	of	ADP
eurjchem-2657	4	40	engineering	engineering	NOUN
eurjchem-2657	4	41	and	and	CCONJ
eurjchem-2657	4	42	architecture	architecture	NOUN
eurjchem-2657	4	43	,	,	PUNCT
eurjchem-2657	4	44	university	university	PROPN
eurjchem-2657	4	45	of	of	ADP
eurjchem-2657	4	46	kastamonu	kastamonu	NOUN
eurjchem-2657	4	47	,	,	PUNCT
eurjchem-2657	4	48	kastamonu	kastamonu	NOUN
eurjchem-2657	4	49	,	,	PUNCT
eurjchem-2657	4	50	37150	37150	NUM
eurjchem-2657	4	51	,	,	PUNCT
eurjchem-2657	4	52	turkey	turkey	NOUN
eurjchem-2657	4	53	*	*	PUNCT
eurjchem-2657	4	54	corresponding	correspond	VERB
eurjchem-2657	4	55	author	author	NOUN
eurjchem-2657	4	56	at	at	ADP
eurjchem-2657	4	57	:	:	PUNCT
eurjchem-2657	4	58	department	department	NOUN
eurjchem-2657	4	59	of	of	ADP
eurjchem-2657	4	60	biomedical	biomedical	ADJ
eurjchem-2657	4	61	engineering	engineering	NOUN
eurjchem-2657	4	62	,	,	PUNCT
eurjchem-2657	4	63	faculty	faculty	NOUN
eurjchem-2657	4	64	of	of	ADP
eurjchem-2657	4	65	engineering	engineering	NOUN
eurjchem-2657	4	66	and	and	CCONJ
eurjchem-2657	4	67	architecture	architecture	NOUN
eurjchem-2657	4	68	,	,	PUNCT
eurjchem-2657	4	69	university	university	PROPN
eurjchem-2657	4	70	of	of	ADP
eurjchem-2657	4	71	kastamonu	kastamonu	NOUN
eurjchem-2657	4	72	,	,	PUNCT
eurjchem-2657	4	73	kastamonu	kastamonu	NOUN
eurjchem-2657	4	74	,	,	PUNCT
eurjchem-2657	4	75	37150	37150	NUM
eurjchem-2657	4	76	,	,	PUNCT
eurjchem-2657	4	77	turkey	turkey	NOUN
eurjchem-2657	4	78	.	.	PUNCT
eurjchem-2657	5	1	e	e	X
eurjchem-2657	5	2	-	-	NOUN
eurjchem-2657	5	3	mail	mail	NOUN
eurjchem-2657	5	4	:	:	PUNCT
eurjchem-2657	6	1	fkandemirli@yahoo.com	fkandemirli@yahoo.com	NOUN
eurjchem-2657	6	2	(	(	PUNCT
eurjchem-2657	6	3	f.	f.	PROPN
eurjchem-2657	6	4	kandemirli	kandemirli	PROPN
eurjchem-2657	6	5	)	)	PUNCT
eurjchem-2657	6	6	.	.	PUNCT
eurjchem-2657	7	1	10.5155	10.5155	NUM
eurjchem-2657	7	2	/	/	SYM
eurjchem-2657	7	3	eurjchem.16.3.267	eurjchem.16.3.267	PROPN
eurjchem-2657	7	4	-	-	PUNCT
eurjchem-2657	7	5	274.2657	274.2657	NUM
eurjchem-2657	7	6	received	receive	VERB
eurjchem-2657	7	7	:	:	PUNCT
eurjchem-2657	7	8	31	31	NUM
eurjchem-2657	7	9	january	january	NOUN
eurjchem-2657	7	10	2025	2025	NUM
eurjchem-2657	7	11	received	receive	VERB
eurjchem-2657	7	12	in	in	ADP
eurjchem-2657	7	13	revised	revise	VERB
eurjchem-2657	7	14	form	form	NOUN
eurjchem-2657	7	15	:	:	PUNCT
eurjchem-2657	7	16	7	7	NUM
eurjchem-2657	7	17	may	may	AUX
eurjchem-2657	7	18	2025	2025	NUM
eurjchem-2657	7	19	accepted	accept	VERB
eurjchem-2657	7	20	:	:	PUNCT
eurjchem-2657	7	21	15	15	NUM
eurjchem-2657	7	22	june	june	PROPN
eurjchem-2657	7	23	2025	2025	NUM
eurjchem-2657	7	24	published	publish	VERB
eurjchem-2657	7	25	online	online	ADV
eurjchem-2657	7	26	:	:	PUNCT
eurjchem-2657	7	27	30	30	NUM
eurjchem-2657	7	28	september	september	PROPN
eurjchem-2657	7	29	2025	2025	NUM
eurjchem-2657	7	30	printed	print	VERB
eurjchem-2657	7	31	:	:	PUNCT
eurjchem-2657	7	32	30	30	NUM
eurjchem-2657	7	33	september	september	PROPN
eurjchem-2657	7	34	2025	2025	NUM
eurjchem-2657	7	35	the	the	DET
eurjchem-2657	7	36	harmonic	harmonic	ADJ
eurjchem-2657	7	37	oscillator	oscillator	NOUN
eurjchem-2657	7	38	model	model	NOUN
eurjchem-2657	7	39	of	of	ADP
eurjchem-2657	7	40	aromaticity	aromaticity	NOUN
eurjchem-2657	7	41	(	(	PUNCT
eurjchem-2657	7	42	homa	homa	NOUN
eurjchem-2657	7	43	)	)	PUNCT
eurjchem-2657	7	44	indexes	index	NOUN
eurjchem-2657	7	45	for	for	ADP
eurjchem-2657	7	46	the	the	DET
eurjchem-2657	7	47	2,4,6,8	2,4,6,8	NUM
eurjchem-2657	7	48	-	-	SYM
eurjchem-2657	7	49	tetraaza1(2,4),5(4,2)-dipyrimidina-3,7(1,3)-dibenzenacyclooctaphane	tetraaza1(2,4),5(4,2)-dipyrimidina-3,7(1,3)-dibenzenacyclooctaphane	NUM
eurjchem-2657	7	50	(	(	PUNCT
eurjchem-2657	7	51	tpb	tpb	NOUN
eurjchem-2657	7	52	)	)	PUNCT
eurjchem-2657	7	53	molecule	molecule	NOUN
eurjchem-2657	7	54	were	be	AUX
eurjchem-2657	7	55	calculated	calculate	VERB
eurjchem-2657	7	56	in	in	ADP
eurjchem-2657	7	57	gas	gas	NOUN
eurjchem-2657	7	58	,	,	PUNCT
eurjchem-2657	7	59	ethanol	ethanol	NOUN
eurjchem-2657	7	60	,	,	PUNCT
eurjchem-2657	7	61	n	n	CCONJ
eurjchem-2657	7	62	-	-	PUNCT
eurjchem-2657	7	63	octanol	octanol	NOUN
eurjchem-2657	7	64	and	and	CCONJ
eurjchem-2657	7	65	water	water	NOUN
eurjchem-2657	7	66	phase	phase	NOUN
eurjchem-2657	7	67	.	.	PUNCT
eurjchem-2657	8	1	solvent	solvent	ADJ
eurjchem-2657	8	2	effects	effect	NOUN
eurjchem-2657	8	3	were	be	AUX
eurjchem-2657	8	4	analyzed	analyze	VERB
eurjchem-2657	8	5	with	with	ADP
eurjchem-2657	8	6	the	the	DET
eurjchem-2657	8	7	use	use	NOUN
eurjchem-2657	8	8	of	of	ADP
eurjchem-2657	8	9	the	the	DET
eurjchem-2657	8	10	integral	integral	ADJ
eurjchem-2657	8	11	equation	equation	NOUN
eurjchem-2657	8	12	formalism	formalism	NOUN
eurjchem-2657	8	13	polarizable	polarizable	ADJ
eurjchem-2657	8	14	continuum	continuum	ADJ
eurjchem-2657	8	15	model	model	NOUN
eurjchem-2657	8	16	(	(	PUNCT
eurjchem-2657	8	17	iefpcm	iefpcm	PROPN
eurjchem-2657	8	18	)	)	PUNCT
eurjchem-2657	8	19	as	as	ADP
eurjchem-2657	8	20	the	the	DET
eurjchem-2657	8	21	default	default	NOUN
eurjchem-2657	8	22	in	in	ADP
eurjchem-2657	8	23	the	the	DET
eurjchem-2657	8	24	self	self	NOUN
eurjchem-2657	8	25	-	-	PUNCT
eurjchem-2657	8	26	consistent	consistent	ADJ
eurjchem-2657	8	27	reaction	reaction	NOUN
eurjchem-2657	8	28	field	field	NOUN
eurjchem-2657	8	29	(	(	PUNCT
eurjchem-2657	8	30	scrf	scrf	NOUN
eurjchem-2657	8	31	)	)	PUNCT
eurjchem-2657	8	32	method	method	NOUN
eurjchem-2657	8	33	in	in	ADP
eurjchem-2657	8	34	gaussian09	gaussian09	NOUN
eurjchem-2657	8	35	.	.	PUNCT
eurjchem-2657	9	1	the	the	DET
eurjchem-2657	9	2	homa	homa	NOUN
eurjchem-2657	9	3	indexes	index	NOUN
eurjchem-2657	9	4	indicate	indicate	VERB
eurjchem-2657	9	5	the	the	DET
eurjchem-2657	9	6	presence	presence	NOUN
eurjchem-2657	9	7	of	of	ADP
eurjchem-2657	9	8	highly	highly	ADV
eurjchem-2657	9	9	aromatic	aromatic	ADJ
eurjchem-2657	9	10	pyrimidine	pyrimidine	NOUN
eurjchem-2657	9	11	and	and	CCONJ
eurjchem-2657	9	12	benzyl	benzyl	NOUN
eurjchem-2657	9	13	rings	ring	NOUN
eurjchem-2657	9	14	while	while	SCONJ
eurjchem-2657	9	15	the	the	DET
eurjchem-2657	9	16	parameters	parameter	NOUN
eurjchem-2657	9	17	for	for	ADP
eurjchem-2657	9	18	pyrimidine	pyrimidine	NOUN
eurjchem-2657	9	19	rings	ring	NOUN
eurjchem-2657	9	20	slightly	slightly	ADV
eurjchem-2657	9	21	decrease	decrease	NOUN
eurjchem-2657	9	22	and	and	CCONJ
eurjchem-2657	9	23	those	those	PRON
eurjchem-2657	9	24	for	for	ADP
eurjchem-2657	9	25	the	the	DET
eurjchem-2657	9	26	benzyl	benzyl	NOUN
eurjchem-2657	9	27	ring	ring	NOUN
eurjchem-2657	9	28	slightly	slightly	ADV
eurjchem-2657	9	29	increase	increase	VERB
eurjchem-2657	9	30	with	with	ADP
eurjchem-2657	9	31	increasing	increase	VERB
eurjchem-2657	9	32	dielectric	dielectric	ADJ
eurjchem-2657	9	33	constant	constant	ADJ
eurjchem-2657	9	34	.	.	PUNCT
eurjchem-2657	10	1	according	accord	VERB
eurjchem-2657	10	2	to	to	ADP
eurjchem-2657	10	3	the	the	DET
eurjchem-2657	10	4	results	result	NOUN
eurjchem-2657	10	5	,	,	PUNCT
eurjchem-2657	10	6	the	the	DET
eurjchem-2657	10	7	pyrimidine	pyrimidine	NOUN
eurjchem-2657	10	8	ring	ring	NOUN
eurjchem-2657	10	9	shows	show	VERB
eurjchem-2657	10	10	the	the	DET
eurjchem-2657	10	11	highest	high	ADJ
eurjchem-2657	10	12	aromaticity	aromaticity	NOUN
eurjchem-2657	10	13	in	in	ADP
eurjchem-2657	10	14	the	the	DET
eurjchem-2657	10	15	gas	gas	NOUN
eurjchem-2657	10	16	phase	phase	NOUN
eurjchem-2657	10	17	and	and	CCONJ
eurjchem-2657	10	18	a	a	DET
eurjchem-2657	10	19	slight	slight	ADJ
eurjchem-2657	10	20	decrease	decrease	NOUN
eurjchem-2657	10	21	in	in	ADP
eurjchem-2657	10	22	more	more	ADJ
eurjchem-2657	10	23	polar	polar	ADJ
eurjchem-2657	10	24	solvents	solvent	NOUN
eurjchem-2657	10	25	.	.	PUNCT
eurjchem-2657	11	1	in	in	ADP
eurjchem-2657	11	2	contrast	contrast	NOUN
eurjchem-2657	11	3	,	,	PUNCT
eurjchem-2657	11	4	the	the	DET
eurjchem-2657	11	5	benzene	benzene	NOUN
eurjchem-2657	11	6	ring	ring	NOUN
eurjchem-2657	11	7	shows	show	VERB
eurjchem-2657	11	8	an	an	DET
eurjchem-2657	11	9	increase	increase	NOUN
eurjchem-2657	11	10	in	in	ADP
eurjchem-2657	11	11	aromaticity	aromaticity	NOUN
eurjchem-2657	11	12	as	as	ADP
eurjchem-2657	11	13	the	the	DET
eurjchem-2657	11	14	solvent	solvent	NOUN
eurjchem-2657	11	15	polarity	polarity	NOUN
eurjchem-2657	11	16	increases	increase	VERB
eurjchem-2657	11	17	.	.	PUNCT
eurjchem-2657	12	1	the	the	DET
eurjchem-2657	12	2	homo	homo	NOUN
eurjchem-2657	12	3	energy	energy	NOUN
eurjchem-2657	12	4	of	of	ADP
eurjchem-2657	12	5	the	the	DET
eurjchem-2657	12	6	tpb	tpb	NOUN
eurjchem-2657	12	7	shifts	shift	NOUN
eurjchem-2657	12	8	downward	downward	ADV
eurjchem-2657	12	9	in	in	ADP
eurjchem-2657	12	10	more	more	ADJ
eurjchem-2657	12	11	polar	polar	ADJ
eurjchem-2657	12	12	solvents	solvent	NOUN
eurjchem-2657	12	13	and	and	CCONJ
eurjchem-2657	12	14	the	the	DET
eurjchem-2657	12	15	most	most	ADV
eurjchem-2657	12	16	significant	significant	ADJ
eurjchem-2657	12	17	shift	shift	NOUN
eurjchem-2657	12	18	occurs	occur	VERB
eurjchem-2657	12	19	in	in	ADP
eurjchem-2657	12	20	the	the	DET
eurjchem-2657	12	21	water	water	NOUN
eurjchem-2657	12	22	phase	phase	NOUN
eurjchem-2657	12	23	.	.	PUNCT
eurjchem-2657	13	1	the	the	DET
eurjchem-2657	13	2	homo	homo	NOUN
eurjchem-2657	13	3	-	-	PUNCT
eurjchem-2657	13	4	lumo	lumo	NOUN
eurjchem-2657	13	5	energy	energy	NOUN
eurjchem-2657	13	6	gap	gap	NOUN
eurjchem-2657	13	7	increases	increase	VERB
eurjchem-2657	13	8	in	in	ADP
eurjchem-2657	13	9	polar	polar	ADJ
eurjchem-2657	13	10	solvents	solvent	NOUN
eurjchem-2657	13	11	,	,	PUNCT
eurjchem-2657	13	12	indicating	indicate	VERB
eurjchem-2657	13	13	higher	high	ADJ
eurjchem-2657	13	14	chemical	chemical	NOUN
eurjchem-2657	13	15	stability	stability	NOUN
eurjchem-2657	13	16	and	and	CCONJ
eurjchem-2657	13	17	decreased	decrease	VERB
eurjchem-2657	13	18	reactivity	reactivity	NOUN
eurjchem-2657	13	19	in	in	ADP
eurjchem-2657	13	20	these	these	DET
eurjchem-2657	13	21	solvents	solvent	NOUN
eurjchem-2657	13	22	.	.	PUNCT
eurjchem-2657	14	1	these	these	DET
eurjchem-2657	14	2	findings	finding	NOUN
eurjchem-2657	14	3	provide	provide	VERB
eurjchem-2657	14	4	insight	insight	NOUN
eurjchem-2657	14	5	into	into	ADP
eurjchem-2657	14	6	the	the	DET
eurjchem-2657	14	7	stability	stability	NOUN
eurjchem-2657	14	8	and	and	CCONJ
eurjchem-2657	14	9	reactivity	reactivity	NOUN
eurjchem-2657	14	10	of	of	ADP
eurjchem-2657	14	11	tpb	tpb	NOUN
eurjchem-2657	14	12	in	in	ADP
eurjchem-2657	14	13	different	different	ADJ
eurjchem-2657	14	14	phases	phase	NOUN
eurjchem-2657	14	15	for	for	ADP
eurjchem-2657	14	16	potential	potential	ADJ
eurjchem-2657	14	17	applications	application	NOUN
eurjchem-2657	14	18	.	.	PUNCT
eurjchem-2657	15	1	in	in	ADP
eurjchem-2657	15	2	addition	addition	NOUN
eurjchem-2657	15	3	,	,	PUNCT
eurjchem-2657	15	4	apparent	apparent	ADJ
eurjchem-2657	15	5	thermodynamic	thermodynamic	ADJ
eurjchem-2657	15	6	properties	property	NOUN
eurjchem-2657	15	7	such	such	ADJ
eurjchem-2657	15	8	as	as	ADP
eurjchem-2657	15	9	the	the	DET
eurjchem-2657	15	10	heat	heat	NOUN
eurjchem-2657	15	11	capacity	capacity	NOUN
eurjchem-2657	15	12	,	,	PUNCT
eurjchem-2657	15	13	entropy	entropy	PROPN
eurjchem-2657	15	14	,	,	PUNCT
eurjchem-2657	15	15	enthalpy	enthalpy	NOUN
eurjchem-2657	15	16	,	,	PUNCT
eurjchem-2657	15	17	and	and	CCONJ
eurjchem-2657	15	18	gibbs	gibbs	PROPN
eurjchem-2657	15	19	free	free	ADJ
eurjchem-2657	15	20	energy	energy	NOUN
eurjchem-2657	15	21	of	of	ADP
eurjchem-2657	15	22	tbp	tbp	NOUN
eurjchem-2657	15	23	in	in	ADP
eurjchem-2657	15	24	various	various	ADJ
eurjchem-2657	15	25	solvents	solvent	NOUN
eurjchem-2657	15	26	were	be	AUX
eurjchem-2657	15	27	calculated	calculate	VERB
eurjchem-2657	15	28	.	.	PUNCT
eurjchem-2657	16	1	using	use	VERB
eurjchem-2657	16	2	computational	computational	ADJ
eurjchem-2657	16	3	simulations	simulation	NOUN
eurjchem-2657	16	4	,	,	PUNCT
eurjchem-2657	16	5	we	we	PRON
eurjchem-2657	16	6	derive	derive	VERB
eurjchem-2657	16	7	heat	heat	NOUN
eurjchem-2657	16	8	capacity	capacity	NOUN
eurjchem-2657	16	9	equations	equation	NOUN
eurjchem-2657	16	10	that	that	PRON
eurjchem-2657	16	11	exhibit	exhibit	VERB
eurjchem-2657	16	12	similar	similar	ADJ
eurjchem-2657	16	13	quadratic	quadratic	ADJ
eurjchem-2657	16	14	and	and	CCONJ
eurjchem-2657	16	15	linear	linear	ADJ
eurjchem-2657	16	16	terms	term	NOUN
eurjchem-2657	16	17	in	in	ADP
eurjchem-2657	16	18	both	both	DET
eurjchem-2657	16	19	phases	phase	NOUN
eurjchem-2657	16	20	,	,	PUNCT
eurjchem-2657	16	21	differing	differ	VERB
eurjchem-2657	16	22	only	only	ADV
eurjchem-2657	16	23	in	in	ADP
eurjchem-2657	16	24	their	their	PRON
eurjchem-2657	16	25	constants	constant	NOUN
eurjchem-2657	16	26	.	.	PUNCT
eurjchem-2657	17	1	the	the	DET
eurjchem-2657	17	2	negative	negative	ADJ
eurjchem-2657	17	3	quadratic	quadratic	ADJ
eurjchem-2657	17	4	term	term	NOUN
eurjchem-2657	17	5	leads	lead	VERB
eurjchem-2657	17	6	to	to	ADP
eurjchem-2657	17	7	a	a	DET
eurjchem-2657	17	8	decrease	decrease	NOUN
eurjchem-2657	17	9	in	in	ADP
eurjchem-2657	17	10	heat	heat	NOUN
eurjchem-2657	17	11	capacity	capacity	NOUN
eurjchem-2657	17	12	at	at	ADP
eurjchem-2657	17	13	very	very	ADV
eurjchem-2657	17	14	low	low	ADJ
eurjchem-2657	17	15	temperatures	temperature	NOUN
eurjchem-2657	17	16	.	.	PUNCT
eurjchem-2657	18	1	aromacity	aromacity	NOUN
eurjchem-2657	18	2	homa	homa	PROPN
eurjchem-2657	18	3	indexes	index	VERB
eurjchem-2657	18	4	electronic	electronic	ADJ
eurjchem-2657	18	5	properties	property	NOUN
eurjchem-2657	18	6	computational	computational	ADJ
eurjchem-2657	18	7	chemistry	chemistry	NOUN
eurjchem-2657	18	8	thermodynamic	thermodynamic	ADJ
eurjchem-2657	18	9	properties	property	NOUN
eurjchem-2657	18	10	azacalix[2]arene[2]pyrimidines	azacalix[2]arene[2]pyrimidine	NOUN
eurjchem-2657	18	11	cite	cite	VERB
eurjchem-2657	18	12	this	this	PRON
eurjchem-2657	18	13	:	:	PUNCT
eurjchem-2657	18	14	eur	eur	PROPN
eurjchem-2657	18	15	.	.	PUNCT
eurjchem-2657	19	1	j.	j.	PROPN
eurjchem-2657	19	2	chem	chem	PROPN
eurjchem-2657	19	3	.	.	PUNCT
eurjchem-2657	20	1	2025	2025	NUM
eurjchem-2657	20	2	,	,	PUNCT
eurjchem-2657	20	3	16(3	16(3	NOUN
eurjchem-2657	20	4	)	)	PUNCT
eurjchem-2657	20	5	,	,	PUNCT
eurjchem-2657	20	6	267	267	NUM
eurjchem-2657	20	7	-	-	SYM
eurjchem-2657	20	8	274	274	NUM
eurjchem-2657	20	9	journal	journal	NOUN
eurjchem-2657	20	10	website	website	NOUN
eurjchem-2657	20	11	:	:	PUNCT
eurjchem-2657	20	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2657	20	13	1	1	X
eurjchem-2657	20	14	.	.	PUNCT
eurjchem-2657	20	15	introduction	introduction	NOUN
eurjchem-2657	20	16	pyrimidine	pyrimidine	NOUN
eurjchem-2657	20	17	,	,	PUNCT
eurjchem-2657	20	18	a	a	DET
eurjchem-2657	20	19	class	class	NOUN
eurjchem-2657	20	20	of	of	ADP
eurjchem-2657	20	21	heterocyclic	heterocyclic	ADJ
eurjchem-2657	20	22	compounds	compound	NOUN
eurjchem-2657	20	23	,	,	PUNCT
eurjchem-2657	20	24	has	have	VERB
eurjchem-2657	20	25	wide	wide	ADJ
eurjchem-2657	20	26	applications	application	NOUN
eurjchem-2657	20	27	in	in	ADP
eurjchem-2657	20	28	pharmaceutical	pharmaceutical	ADJ
eurjchem-2657	20	29	research	research	NOUN
eurjchem-2657	20	30	due	due	ADP
eurjchem-2657	20	31	to	to	ADP
eurjchem-2657	20	32	its	its	PRON
eurjchem-2657	20	33	wide	wide	ADJ
eurjchem-2657	20	34	range	range	NOUN
eurjchem-2657	20	35	of	of	ADP
eurjchem-2657	20	36	biological	biological	ADJ
eurjchem-2657	20	37	effects	effect	NOUN
eurjchem-2657	20	38	such	such	ADJ
eurjchem-2657	20	39	as	as	ADP
eurjchem-2657	20	40	anticancer	anticancer	NOUN
eurjchem-2657	20	41	[	[	X
eurjchem-2657	20	42	1,2	1,2	NUM
eurjchem-2657	20	43	]	]	PUNCT
eurjchem-2657	20	44	,	,	PUNCT
eurjchem-2657	20	45	anti	anti	ADJ
eurjchem-2657	20	46	-	-	ADJ
eurjchem-2657	20	47	inflammatory	inflammatory	ADJ
eurjchem-2657	20	48	,	,	PUNCT
eurjchem-2657	20	49	analgesic	analgesic	ADJ
eurjchem-2657	20	50	,	,	PUNCT
eurjchem-2657	20	51	anthelmintic	anthelmintic	ADJ
eurjchem-2657	20	52	[	[	X
eurjchem-2657	20	53	3,4	3,4	NUM
eurjchem-2657	20	54	]	]	PUNCT
eurjchem-2657	20	55	,	,	PUNCT
eurjchem-2657	20	56	and	and	CCONJ
eurjchem-2657	20	57	antimicrobial	antimicrobial	ADJ
eurjchem-2657	20	58	activity	activity	NOUN
eurjchem-2657	20	59	[	[	X
eurjchem-2657	20	60	5	5	NUM
eurjchem-2657	20	61	]	]	PUNCT
eurjchem-2657	20	62	.	.	PUNCT
eurjchem-2657	21	1	among	among	ADP
eurjchem-2657	21	2	its	its	PRON
eurjchem-2657	21	3	derivatives	derivative	NOUN
eurjchem-2657	21	4	,	,	PUNCT
eurjchem-2657	21	5	2,4	2,4	NUM
eurjchem-2657	21	6	-	-	PUNCT
eurjchem-2657	21	7	diaminopyrimidines	diaminopyrimidine	NOUN
eurjchem-2657	21	8	have	have	AUX
eurjchem-2657	21	9	attracted	attract	VERB
eurjchem-2657	21	10	attention	attention	NOUN
eurjchem-2657	21	11	due	due	ADP
eurjchem-2657	21	12	to	to	ADP
eurjchem-2657	21	13	their	their	PRON
eurjchem-2657	21	14	highly	highly	ADV
eurjchem-2657	21	15	effective	effective	ADJ
eurjchem-2657	21	16	therapeutic	therapeutic	ADJ
eurjchem-2657	21	17	properties	property	NOUN
eurjchem-2657	21	18	against	against	ADP
eurjchem-2657	21	19	cancer	cancer	NOUN
eurjchem-2657	21	20	and	and	CCONJ
eurjchem-2657	21	21	their	their	PRON
eurjchem-2657	21	22	favorable	favorable	ADJ
eurjchem-2657	21	23	pharmaceutical	pharmaceutical	ADJ
eurjchem-2657	21	24	properties	property	NOUN
eurjchem-2657	21	25	[	[	X
eurjchem-2657	21	26	6,7	6,7	NUM
eurjchem-2657	21	27	]	]	PUNCT
eurjchem-2657	21	28	.	.	PUNCT
eurjchem-2657	22	1	they	they	PRON
eurjchem-2657	22	2	synthesized	synthesize	VERB
eurjchem-2657	22	3	a	a	DET
eurjchem-2657	22	4	series	series	NOUN
eurjchem-2657	22	5	of	of	ADP
eurjchem-2657	22	6	novel	novel	NOUN
eurjchem-2657	22	7	azacalix[2]arene[2	azacalix[2]arene[2	NUM
eurjchem-2657	22	8	]	]	PUNCT
eurjchem-2657	22	9	pyrimidines	pyrimidine	NOUN
eurjchem-2657	22	10	and	and	CCONJ
eurjchem-2657	22	11	evaluated	evaluate	VERB
eurjchem-2657	22	12	their	their	PRON
eurjchem-2657	22	13	antiproliferative	antiproliferative	ADJ
eurjchem-2657	22	14	activities	activity	NOUN
eurjchem-2657	22	15	against	against	ADP
eurjchem-2657	22	16	human	human	ADJ
eurjchem-2657	22	17	cancer	cancer	NOUN
eurjchem-2657	22	18	cell	cell	NOUN
eurjchem-2657	22	19	lines	line	NOUN
eurjchem-2657	22	20	a549	a549	PROPN
eurjchem-2657	22	21	,	,	PUNCT
eurjchem-2657	22	22	mcf7	mcf7	PROPN
eurjchem-2657	22	23	,	,	PUNCT
eurjchem-2657	22	24	sh	sh	NOUN
eurjchem-2657	22	25	-	-	PUNCT
eurjchem-2657	22	26	sy5y	sy5y	X
eurjchem-2657	22	27	,	,	PUNCT
eurjchem-2657	22	28	and	and	CCONJ
eurjchem-2657	22	29	cne	cne	PROPN
eurjchem-2657	22	30	in	in	ADP
eurjchem-2657	22	31	vitro	vitro	X
eurjchem-2657	22	32	using	use	VERB
eurjchem-2657	22	33	the	the	DET
eurjchem-2657	22	34	cck-8	cck-8	PUNCT
eurjchem-2657	22	35	assay	assay	NOUN
eurjchem-2657	22	36	[	[	X
eurjchem-2657	22	37	8	8	NUM
eurjchem-2657	22	38	]	]	PUNCT
eurjchem-2657	22	39	.	.	PUNCT
eurjchem-2657	23	1	cancer	cancer	NOUN
eurjchem-2657	23	2	continues	continue	VERB
eurjchem-2657	23	3	to	to	PART
eurjchem-2657	23	4	be	be	AUX
eurjchem-2657	23	5	one	one	NUM
eurjchem-2657	23	6	of	of	ADP
eurjchem-2657	23	7	the	the	DET
eurjchem-2657	23	8	most	most	ADV
eurjchem-2657	23	9	complex	complex	ADJ
eurjchem-2657	23	10	and	and	CCONJ
eurjchem-2657	23	11	deadly	deadly	ADJ
eurjchem-2657	23	12	health	health	NOUN
eurjchem-2657	23	13	problems	problem	NOUN
eurjchem-2657	23	14	in	in	ADP
eurjchem-2657	23	15	human	human	ADJ
eurjchem-2657	23	16	history	history	NOUN
eurjchem-2657	23	17	[	[	X
eurjchem-2657	23	18	9	9	NUM
eurjchem-2657	23	19	]	]	PUNCT
eurjchem-2657	23	20	.	.	PUNCT
eurjchem-2657	24	1	according	accord	VERB
eurjchem-2657	24	2	to	to	ADP
eurjchem-2657	24	3	the	the	DET
eurjchem-2657	24	4	world	world	PROPN
eurjchem-2657	24	5	health	health	NOUN
eurjchem-2657	24	6	organization	organization	NOUN
eurjchem-2657	24	7	(	(	PUNCT
eurjchem-2657	24	8	who	who	PRON
eurjchem-2657	24	9	)	)	PUNCT
eurjchem-2657	24	10	,	,	PUNCT
eurjchem-2657	24	11	the	the	DET
eurjchem-2657	24	12	disease	disease	NOUN
eurjchem-2657	24	13	claimed	claim	VERB
eurjchem-2657	24	14	the	the	DET
eurjchem-2657	24	15	lives	life	NOUN
eurjchem-2657	24	16	of	of	ADP
eurjchem-2657	24	17	approximately	approximately	ADV
eurjchem-2657	24	18	8.8	8.8	NUM
eurjchem-2657	24	19	million	million	NUM
eurjchem-2657	24	20	people	people	NOUN
eurjchem-2657	24	21	in	in	ADP
eurjchem-2657	24	22	2015	2015	NUM
eurjchem-2657	24	23	,	,	PUNCT
eurjchem-2657	24	24	making	make	VERB
eurjchem-2657	24	25	it	it	PRON
eurjchem-2657	24	26	the	the	DET
eurjchem-2657	24	27	second	second	ADJ
eurjchem-2657	24	28	most	most	ADV
eurjchem-2657	24	29	common	common	ADJ
eurjchem-2657	24	30	cause	cause	NOUN
eurjchem-2657	24	31	of	of	ADP
eurjchem-2657	24	32	death	death	NOUN
eurjchem-2657	24	33	worldwide	worldwide	ADV
eurjchem-2657	24	34	after	after	ADP
eurjchem-2657	24	35	cardiovascular	cardiovascular	ADJ
eurjchem-2657	24	36	diseases	disease	NOUN
eurjchem-2657	24	37	.	.	PUNCT
eurjchem-2657	25	1	the	the	DET
eurjchem-2657	25	2	global	global	ADJ
eurjchem-2657	25	3	burden	burden	NOUN
eurjchem-2657	25	4	of	of	ADP
eurjchem-2657	25	5	cancer	cancer	NOUN
eurjchem-2657	25	6	is	be	AUX
eurjchem-2657	25	7	particularly	particularly	ADV
eurjchem-2657	25	8	pronounced	pronounce	VERB
eurjchem-2657	25	9	in	in	ADP
eurjchem-2657	25	10	lowand	lowand	ADJ
eurjchem-2657	25	11	middle	middle	ADJ
eurjchem-2657	25	12	-	-	PUNCT
eurjchem-2657	25	13	income	income	NOUN
eurjchem-2657	25	14	countries	country	NOUN
eurjchem-2657	25	15	due	due	ADP
eurjchem-2657	25	16	to	to	ADP
eurjchem-2657	25	17	inadequate	inadequate	ADJ
eurjchem-2657	25	18	health	health	NOUN
eurjchem-2657	25	19	infrastructure	infrastructure	NOUN
eurjchem-2657	25	20	and	and	CCONJ
eurjchem-2657	25	21	limited	limited	ADJ
eurjchem-2657	25	22	resources	resource	NOUN
eurjchem-2657	25	23	.	.	PUNCT
eurjchem-2657	26	1	who	who	PRON
eurjchem-2657	26	2	projections	projection	NOUN
eurjchem-2657	26	3	predict	predict	VERB
eurjchem-2657	26	4	that	that	SCONJ
eurjchem-2657	26	5	cancer	cancer	NOUN
eurjchem-2657	26	6	-	-	PUNCT
eurjchem-2657	26	7	related	relate	VERB
eurjchem-2657	26	8	deaths	death	NOUN
eurjchem-2657	26	9	will	will	AUX
eurjchem-2657	26	10	reach	reach	VERB
eurjchem-2657	26	11	15	15	NUM
eurjchem-2657	26	12	million	million	NUM
eurjchem-2657	26	13	annually	annually	ADV
eurjchem-2657	26	14	by	by	ADP
eurjchem-2657	26	15	2030	2030	NUM
eurjchem-2657	26	16	,	,	PUNCT
eurjchem-2657	26	17	highlighting	highlight	VERB
eurjchem-2657	26	18	the	the	DET
eurjchem-2657	26	19	need	need	NOUN
eurjchem-2657	26	20	to	to	PART
eurjchem-2657	26	21	develop	develop	VERB
eurjchem-2657	26	22	innovative	innovative	ADJ
eurjchem-2657	26	23	,	,	PUNCT
eurjchem-2657	26	24	effective	effective	ADJ
eurjchem-2657	26	25	treatment	treatment	NOUN
eurjchem-2657	26	26	approaches	approach	NOUN
eurjchem-2657	26	27	in	in	ADP
eurjchem-2657	26	28	the	the	DET
eurjchem-2657	26	29	fight	fight	NOUN
eurjchem-2657	26	30	against	against	ADP
eurjchem-2657	26	31	cancer	cancer	NOUN
eurjchem-2657	26	32	[	[	X
eurjchem-2657	26	33	10	10	NUM
eurjchem-2657	26	34	]	]	PUNCT
eurjchem-2657	26	35	.	.	PUNCT
eurjchem-2657	27	1	the	the	DET
eurjchem-2657	27	2	biological	biological	ADJ
eurjchem-2657	27	3	nature	nature	NOUN
eurjchem-2657	27	4	of	of	ADP
eurjchem-2657	27	5	cancer	cancer	NOUN
eurjchem-2657	27	6	makes	make	VERB
eurjchem-2657	27	7	its	its	PRON
eurjchem-2657	27	8	diagnosis	diagnosis	NOUN
eurjchem-2657	27	9	and	and	CCONJ
eurjchem-2657	27	10	treatment	treatment	NOUN
eurjchem-2657	27	11	highly	highly	ADV
eurjchem-2657	27	12	complex	complex	ADJ
eurjchem-2657	27	13	.	.	PUNCT
eurjchem-2657	28	1	the	the	DET
eurjchem-2657	28	2	heterogeneous	heterogeneous	ADJ
eurjchem-2657	28	3	nature	nature	NOUN
eurjchem-2657	28	4	of	of	ADP
eurjchem-2657	28	5	cancer	cancer	NOUN
eurjchem-2657	28	6	at	at	ADP
eurjchem-2657	28	7	the	the	DET
eurjchem-2657	28	8	molecular	molecular	ADJ
eurjchem-2657	28	9	level	level	NOUN
eurjchem-2657	28	10	is	be	AUX
eurjchem-2657	28	11	influenced	influence	VERB
eurjchem-2657	28	12	by	by	ADP
eurjchem-2657	28	13	genetic	genetic	ADJ
eurjchem-2657	28	14	mutations	mutation	NOUN
eurjchem-2657	28	15	,	,	PUNCT
eurjchem-2657	28	16	epigenetic	epigenetic	ADJ
eurjchem-2657	28	17	changes	change	NOUN
eurjchem-2657	28	18	,	,	PUNCT
eurjchem-2657	28	19	and	and	CCONJ
eurjchem-2657	28	20	disturbances	disturbance	NOUN
eurjchem-2657	28	21	in	in	ADP
eurjchem-2657	28	22	cellular	cellular	ADJ
eurjchem-2657	28	23	communication	communication	NOUN
eurjchem-2657	28	24	pathways	pathway	NOUN
eurjchem-2657	28	25	,	,	PUNCT
eurjchem-2657	28	26	which	which	PRON
eurjchem-2657	28	27	accelerate	accelerate	VERB
eurjchem-2657	28	28	tumor	tumor	NOUN
eurjchem-2657	28	29	formation	formation	NOUN
eurjchem-2657	28	30	and	and	CCONJ
eurjchem-2657	28	31	progression	progression	NOUN
eurjchem-2657	28	32	.	.	PUNCT
eurjchem-2657	29	1	in	in	ADP
eurjchem-2657	29	2	particular	particular	ADJ
eurjchem-2657	29	3	,	,	PUNCT
eurjchem-2657	29	4	metastatic	metastatic	ADJ
eurjchem-2657	29	5	cancer	cancer	NOUN
eurjchem-2657	29	6	types	type	NOUN
eurjchem-2657	29	7	and	and	CCONJ
eurjchem-2657	29	8	chemotherapy	chemotherapy	NOUN
eurjchem-2657	29	9	-	-	ADJ
eurjchem-2657	29	10	resistant	resistant	ADJ
eurjchem-2657	29	11	tumors	tumor	NOUN
eurjchem-2657	29	12	are	be	AUX
eurjchem-2657	29	13	seen	see	VERB
eurjchem-2657	29	14	as	as	ADP
eurjchem-2657	29	15	one	one	NUM
eurjchem-2657	29	16	of	of	ADP
eurjchem-2657	29	17	the	the	DET
eurjchem-2657	29	18	biggest	big	ADJ
eurjchem-2657	29	19	challenges	challenge	NOUN
eurjchem-2657	29	20	that	that	PRON
eurjchem-2657	29	21	limit	limit	VERB
eurjchem-2657	29	22	the	the	DET
eurjchem-2657	29	23	effectiveness	effectiveness	NOUN
eurjchem-2657	29	24	of	of	ADP
eurjchem-2657	29	25	current	current	ADJ
eurjchem-2657	29	26	treatment	treatment	NOUN
eurjchem-2657	29	27	modalities	modality	NOUN
eurjchem-2657	29	28	.	.	PUNCT
eurjchem-2657	30	1	in	in	ADP
eurjchem-2657	30	2	this	this	DET
eurjchem-2657	30	3	context	context	NOUN
eurjchem-2657	30	4	,	,	PUNCT
eurjchem-2657	30	5	a	a	DET
eurjchem-2657	30	6	better	well	ADJ
eurjchem-2657	30	7	understanding	understanding	NOUN
eurjchem-2657	30	8	of	of	ADP
eurjchem-2657	30	9	the	the	DET
eurjchem-2657	30	10	basic	basic	ADJ
eurjchem-2657	30	11	mechanisms	mechanism	NOUN
eurjchem-2657	30	12	of	of	ADP
eurjchem-2657	30	13	cancer	cancer	NOUN
eurjchem-2657	30	14	biology	biology	NOUN
eurjchem-2657	30	15	is	be	AUX
eurjchem-2657	30	16	critical	critical	ADJ
eurjchem-2657	30	17	for	for	ADP
eurjchem-2657	30	18	the	the	DET
eurjchem-2657	30	19	development	development	NOUN
eurjchem-2657	30	20	of	of	ADP
eurjchem-2657	30	21	more	more	ADV
eurjchem-2657	30	22	targeted	targeted	ADJ
eurjchem-2657	30	23	and	and	CCONJ
eurjchem-2657	30	24	effective	effective	ADJ
eurjchem-2657	30	25	therapeutic	therapeutic	ADJ
eurjchem-2657	30	26	approaches	approach	NOUN
eurjchem-2657	30	27	to	to	PART
eurjchem-2657	30	28	combat	combat	VERB
eurjchem-2657	30	29	this	this	DET
eurjchem-2657	30	30	disease	disease	NOUN
eurjchem-2657	30	31	[	[	X
eurjchem-2657	30	32	11	11	NUM
eurjchem-2657	30	33	]	]	PUNCT
eurjchem-2657	30	34	.	.	PUNCT
eurjchem-2657	31	1	therefore	therefore	ADV
eurjchem-2657	31	2	,	,	PUNCT
eurjchem-2657	31	3	understanding	understand	VERB
eurjchem-2657	31	4	the	the	DET
eurjchem-2657	31	5	molecular	molecular	ADJ
eurjchem-2657	31	6	behavior	behavior	NOUN
eurjchem-2657	31	7	of	of	ADP
eurjchem-2657	31	8	pyrimidine	pyrimidine	NOUN
eurjchem-2657	31	9	derivatives	derivative	NOUN
eurjchem-2657	31	10	under	under	ADP
eurjchem-2657	31	11	different	different	ADJ
eurjchem-2657	31	12	conditions	condition	NOUN
eurjchem-2657	31	13	is	be	AUX
eurjchem-2657	31	14	of	of	ADP
eurjchem-2657	31	15	great	great	ADJ
eurjchem-2657	31	16	importance	importance	NOUN
eurjchem-2657	31	17	for	for	ADP
eurjchem-2657	31	18	the	the	DET
eurjchem-2657	31	19	development	development	NOUN
eurjchem-2657	31	20	of	of	ADP
eurjchem-2657	31	21	more	more	ADV
eurjchem-2657	31	22	effective	effective	ADJ
eurjchem-2657	31	23	drugs	drug	NOUN
eurjchem-2657	31	24	.	.	PUNCT
eurjchem-2657	32	1	despite	despite	SCONJ
eurjchem-2657	32	2	the	the	DET
eurjchem-2657	32	3	stated	state	VERB
eurjchem-2657	32	4	biological	biological	ADJ
eurjchem-2657	32	5	importance	importance	NOUN
eurjchem-2657	32	6	of	of	ADP
eurjchem-2657	32	7	these	these	DET
eurjchem-2657	32	8	compounds	compound	NOUN
eurjchem-2657	32	9	,	,	PUNCT
eurjchem-2657	32	10	the	the	DET
eurjchem-2657	32	11	effects	effect	NOUN
eurjchem-2657	32	12	of	of	ADP
eurjchem-2657	32	13	environmental	environmental	ADJ
eurjchem-2657	32	14	factors	factor	NOUN
eurjchem-2657	32	15	such	such	ADJ
eurjchem-2657	32	16	as	as	ADP
eurjchem-2657	32	17	solvent	solvent	ADJ
eurjchem-2657	32	18	polarity	polarity	NOUN
eurjchem-2657	32	19	on	on	ADP
eurjchem-2657	32	20	their	their	PRON
eurjchem-2657	32	21	stability	stability	NOUN
eurjchem-2657	32	22	and	and	CCONJ
eurjchem-2657	32	23	electronic	electronic	ADJ
eurjchem-2657	32	24	properties	property	NOUN
eurjchem-2657	32	25	have	have	AUX
eurjchem-2657	32	26	not	not	PART
eurjchem-2657	32	27	yet	yet	ADV
eurjchem-2657	32	28	been	be	AUX
eurjchem-2657	32	29	sufficiently	sufficiently	ADV
eurjchem-2657	32	30	investigated	investigate	VERB
eurjchem-2657	32	31	.	.	PUNCT
eurjchem-2657	33	1	computational	computational	ADJ
eurjchem-2657	33	2	methods	method	NOUN
eurjchem-2657	33	3	,	,	PUNCT
eurjchem-2657	33	4	especially	especially	ADV
eurjchem-2657	33	5	density	density	NOUN
eurjchem-2657	33	6	functional	functional	ADJ
eurjchem-2657	33	7	theory	theory	NOUN
eurjchem-2657	33	8	(	(	PUNCT
eurjchem-2657	33	9	dft	dft	PROPN
eurjchem-2657	33	10	)	)	PUNCT
eurjchem-2657	34	1	[	[	X
eurjchem-2657	34	2	12	12	NUM
eurjchem-2657	34	3	]	]	PUNCT
eurjchem-2657	34	4	with	with	ADP
eurjchem-2657	34	5	the	the	DET
eurjchem-2657	34	6	b3lyp	b3lyp	X
eurjchem-2657	34	7	functional	functional	ADJ
eurjchem-2657	34	8	,	,	PUNCT
eurjchem-2657	34	9	provide	provide	VERB
eurjchem-2657	34	10	valuable	valuable	ADJ
eurjchem-2657	34	11	information	information	NOUN
eurjchem-2657	34	12	on	on	ADP
eurjchem-2657	34	13	molecular	molecular	ADJ
eurjchem-2657	34	14	behavior	behavior	NOUN
eurjchem-2657	34	15	with	with	ADP
eurjchem-2657	34	16	relatively	relatively	ADV
eurjchem-2657	34	17	low	low	ADJ
eurjchem-2657	34	18	computational	computational	ADJ
eurjchem-2657	34	19	costs	cost	NOUN
eurjchem-2657	34	20	[	[	X
eurjchem-2657	34	21	13	13	NUM
eurjchem-2657	34	22	]	]	PUNCT
eurjchem-2657	34	23	.	.	PUNCT
eurjchem-2657	35	1	abstract	abstract	ADJ
eurjchem-2657	35	2	research	research	NOUN
eurjchem-2657	35	3	article	article	NOUN
eurjchem-2657	35	4	keywords	keyword	VERB
eurjchem-2657	35	5	https://dx.doi.org/10.5155/eurjchem.16.3.267-274.2657	https://dx.doi.org/10.5155/eurjchem.16.3.267-274.2657	PROPN
eurjchem-2657	35	6	https://www.eurjchem.com/	https://www.eurjchem.com/	VERB
eurjchem-2657	35	7	https://dx.doi.org/10.5155/eurjchem.16.3.267-274.2657	https://dx.doi.org/10.5155/eurjchem.16.3.267-274.2657	PROPN
eurjchem-2657	35	8	mailto:fkandemirli@yahoo.com	mailto:fkandemirli@yahoo.com	PROPN
eurjchem-2657	35	9	http://www.eurjchem.com/	http://www.eurjchem.com/	PROPN
eurjchem-2657	35	10	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.16.3.267-274.2657&domain=pdf&date_stamp=2025-09-30	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.16.3.267-274.2657&domain=pdf&date_stamp=2025-09-30	PROPN
eurjchem-2657	35	11	268	268	NUM
eurjchem-2657	35	12	tosun	tosun	NOUN
eurjchem-2657	35	13	and	and	CCONJ
eurjchem-2657	35	14	kandemirli	kandemirli	ADJ
eurjchem-2657	35	15	/	/	SYM
eurjchem-2657	35	16	european	european	ADJ
eurjchem-2657	35	17	journal	journal	PROPN
eurjchem-2657	35	18	of	of	ADP
eurjchem-2657	35	19	chemistry	chemistry	NOUN
eurjchem-2657	35	20	16	16	NUM
eurjchem-2657	35	21	(	(	PUNCT
eurjchem-2657	35	22	3	3	NUM
eurjchem-2657	35	23	)	)	PUNCT
eurjchem-2657	35	24	(	(	PUNCT
eurjchem-2657	35	25	2025	2025	NUM
eurjchem-2657	35	26	)	)	PUNCT
eurjchem-2657	35	27	267	267	NUM
eurjchem-2657	35	28	-	-	SYM
eurjchem-2657	35	29	274	274	NUM
eurjchem-2657	35	30	2025	2025	NUM
eurjchem-2657	35	31	–	–	PUNCT
eurjchem-2657	35	32	european	european	ADJ
eurjchem-2657	35	33	journal	journal	NOUN
eurjchem-2657	35	34	of	of	ADP
eurjchem-2657	35	35	chemistry	chemistry	NOUN
eurjchem-2657	35	36	–	–	PUNCT
eurjchem-2657	35	37	cc	cc	NOUN
eurjchem-2657	35	38	by	by	ADP
eurjchem-2657	35	39	nc	nc	PROPN
eurjchem-2657	35	40	–	–	PUNCT
eurjchem-2657	35	41	doi	doi	NOUN
eurjchem-2657	35	42	:	:	PUNCT
eurjchem-2657	35	43	10.5155	10.5155	NUM
eurjchem-2657	35	44	/	/	SYM
eurjchem-2657	35	45	eurjchem.16.3.267	eurjchem.16.3.267	NUM
eurjchem-2657	35	46	-	-	PUNCT
eurjchem-2657	35	47	274.2657	274.2657	NUM
eurjchem-2657	35	48	table	table	NOUN
eurjchem-2657	35	49	1	1	NUM
eurjchem-2657	35	50	.	.	PUNCT
eurjchem-2657	36	1	homa	homa	NOUN
eurjchem-2657	36	2	index	index	NOUN
eurjchem-2657	36	3	of	of	ADP
eurjchem-2657	36	4	tpb	tpb	NOUN
eurjchem-2657	36	5	*	*	PUNCT
eurjchem-2657	36	6	.	.	PUNCT
eurjchem-2657	37	1	homa	homa	VERB
eurjchem-2657	37	2	a	a	DET
eurjchem-2657	37	3	b	b	PROPN
eurjchem-2657	37	4	c	c	NOUN
eurjchem-2657	37	5	d	d	NOUN
eurjchem-2657	37	6	gas	gas	NOUN
eurjchem-2657	37	7	0.967879	0.967879	NUM
eurjchem-2657	37	8	0.967392	0.967392	NUM
eurjchem-2657	37	9	0.967881	0.967881	NUM
eurjchem-2657	37	10	0.967392	0.967392	NUM
eurjchem-2657	37	11	n	n	CCONJ
eurjchem-2657	37	12	-	-	PUNCT
eurjchem-2657	37	13	octanol	octanol	NOUN
eurjchem-2657	37	14	0.963554	0.963554	NUM
eurjchem-2657	37	15	0.967521	0.967521	NUM
eurjchem-2657	37	16	0.963554	0.963554	NUM
eurjchem-2657	37	17	0.967523	0.967523	NUM
eurjchem-2657	37	18	ethanol	ethanol	NOUN
eurjchem-2657	37	19	0.962927	0.962927	NUM
eurjchem-2657	37	20	0.968110	0.968110	NUM
eurjchem-2657	37	21	0.962928	0.962928	NUM
eurjchem-2657	37	22	0.968109	0.968109	NUM
eurjchem-2657	37	23	water	water	NOUN
eurjchem-2657	37	24	0.962698	0.962698	NOUN
eurjchem-2657	37	25	0.968300	0.968300	NUM
eurjchem-2657	38	1	0.962698	0.962698	NUM
eurjchem-2657	38	2	0.968300	0.968300	NUM
eurjchem-2657	38	3	*	*	PUNCT
eurjchem-2657	38	4	a	a	PRON
eurjchem-2657	38	5	and	and	CCONJ
eurjchem-2657	38	6	c	c	NOUN
eurjchem-2657	38	7	pyrimidine	pyrimidine	NOUN
eurjchem-2657	38	8	groups	group	NOUN
eurjchem-2657	38	9	,	,	PUNCT
eurjchem-2657	38	10	and	and	CCONJ
eurjchem-2657	38	11	b	b	NOUN
eurjchem-2657	38	12	and	and	CCONJ
eurjchem-2657	38	13	d	d	NOUN
eurjchem-2657	38	14	phenyl	phenyl	NOUN
eurjchem-2657	38	15	groups	group	NOUN
eurjchem-2657	38	16	.	.	PUNCT
eurjchem-2657	39	1	figure	figure	NOUN
eurjchem-2657	39	2	1	1	NUM
eurjchem-2657	39	3	.	.	PUNCT
eurjchem-2657	39	4	optimized	optimize	VERB
eurjchem-2657	39	5	form	form	NOUN
eurjchem-2657	39	6	with	with	ADP
eurjchem-2657	39	7	the	the	DET
eurjchem-2657	39	8	number	number	NOUN
eurjchem-2657	39	9	of	of	ADP
eurjchem-2657	39	10	atoms	atom	NOUN
eurjchem-2657	39	11	for	for	ADP
eurjchem-2657	39	12	the	the	DET
eurjchem-2657	39	13	2,4,6,8	2,4,6,8	NUM
eurjchem-2657	39	14	-	-	PUNCT
eurjchem-2657	39	15	tetraaza-1(2,4),5(4,2)-dipyrimidina-3,7(1,3)-dibenzenacyclooctaphane	tetraaza-1(2,4),5(4,2)-dipyrimidina-3,7(1,3)-dibenzenacyclooctaphane	NOUN
eurjchem-2657	39	16	.	.	PUNCT
eurjchem-2657	40	1	the	the	DET
eurjchem-2657	40	2	gaussian	gaussian	NOUN
eurjchem-2657	40	3	09w	09w	NOUN
eurjchem-2657	41	1	[	[	X
eurjchem-2657	41	2	14	14	NUM
eurjchem-2657	41	3	]	]	PUNCT
eurjchem-2657	41	4	and	and	CCONJ
eurjchem-2657	41	5	gaussview	gaussview	VERB
eurjchem-2657	41	6	[	[	X
eurjchem-2657	41	7	15	15	NUM
eurjchem-2657	41	8	]	]	X
eurjchem-2657	41	9	software	software	NOUN
eurjchem-2657	41	10	facilitates	facilitate	VERB
eurjchem-2657	41	11	input	input	NOUN
eurjchem-2657	41	12	generation	generation	NOUN
eurjchem-2657	41	13	and	and	CCONJ
eurjchem-2657	41	14	output	output	NOUN
eurjchem-2657	41	15	analysis	analysis	NOUN
eurjchem-2657	41	16	for	for	ADP
eurjchem-2657	41	17	such	such	ADJ
eurjchem-2657	41	18	studies	study	NOUN
eurjchem-2657	41	19	.	.	PUNCT
eurjchem-2657	42	1	the	the	DET
eurjchem-2657	42	2	iefpcm	iefpcm	PROPN
eurjchem-2657	42	3	model	model	NOUN
eurjchem-2657	42	4	[	[	X
eurjchem-2657	42	5	16	16	NUM
eurjchem-2657	42	6	]	]	PUNCT
eurjchem-2657	42	7	is	be	AUX
eurjchem-2657	42	8	a	a	DET
eurjchem-2657	42	9	continuum	continuum	ADJ
eurjchem-2657	42	10	solvation	solvation	NOUN
eurjchem-2657	42	11	model	model	NOUN
eurjchem-2657	42	12	that	that	PRON
eurjchem-2657	42	13	simulates	simulate	VERB
eurjchem-2657	42	14	solvent	solvent	NOUN
eurjchem-2657	42	15	effects	effect	NOUN
eurjchem-2657	42	16	by	by	ADP
eurjchem-2657	42	17	treating	treat	VERB
eurjchem-2657	42	18	the	the	DET
eurjchem-2657	42	19	solvent	solvent	NOUN
eurjchem-2657	42	20	as	as	ADP
eurjchem-2657	42	21	a	a	DET
eurjchem-2657	42	22	dielectric	dielectric	ADJ
eurjchem-2657	42	23	medium	medium	NOUN
eurjchem-2657	42	24	and	and	CCONJ
eurjchem-2657	42	25	offers	offer	VERB
eurjchem-2657	42	26	advantages	advantage	NOUN
eurjchem-2657	42	27	in	in	ADP
eurjchem-2657	42	28	predicting	predict	VERB
eurjchem-2657	42	29	energy	energy	NOUN
eurjchem-2657	42	30	levels	level	NOUN
eurjchem-2657	42	31	,	,	PUNCT
eurjchem-2657	42	32	molecular	molecular	ADJ
eurjchem-2657	42	33	stability	stability	NOUN
eurjchem-2657	42	34	,	,	PUNCT
eurjchem-2657	42	35	and	and	CCONJ
eurjchem-2657	42	36	reactive	reactive	ADJ
eurjchem-2657	42	37	site	site	NOUN
eurjchem-2657	42	38	analysis	analysis	NOUN
eurjchem-2657	42	39	in	in	ADP
eurjchem-2657	42	40	polar	polar	ADJ
eurjchem-2657	42	41	and	and	CCONJ
eurjchem-2657	42	42	nonpolar	nonpolar	ADJ
eurjchem-2657	42	43	media	medium	NOUN
eurjchem-2657	42	44	[	[	X
eurjchem-2657	42	45	17,18	17,18	NUM
eurjchem-2657	42	46	]	]	PUNCT
eurjchem-2657	42	47	.	.	PUNCT
eurjchem-2657	43	1	the	the	DET
eurjchem-2657	43	2	current	current	ADJ
eurjchem-2657	43	3	study	study	NOUN
eurjchem-2657	43	4	aims	aim	VERB
eurjchem-2657	43	5	to	to	PART
eurjchem-2657	43	6	investigate	investigate	VERB
eurjchem-2657	43	7	the	the	DET
eurjchem-2657	43	8	effect	effect	NOUN
eurjchem-2657	43	9	of	of	ADP
eurjchem-2657	43	10	different	different	ADJ
eurjchem-2657	43	11	solvents	solvent	NOUN
eurjchem-2657	43	12	,	,	PUNCT
eurjchem-2657	43	13	including	include	VERB
eurjchem-2657	43	14	n	n	CCONJ
eurjchem-2657	43	15	-	-	PUNCT
eurjchem-2657	43	16	octanol	octanol	NOUN
eurjchem-2657	43	17	,	,	PUNCT
eurjchem-2657	43	18	ethanol	ethanol	NOUN
eurjchem-2657	43	19	,	,	PUNCT
eurjchem-2657	43	20	and	and	CCONJ
eurjchem-2657	43	21	water	water	NOUN
eurjchem-2657	43	22	,	,	PUNCT
eurjchem-2657	43	23	on	on	ADP
eurjchem-2657	43	24	the	the	DET
eurjchem-2657	43	25	stability	stability	NOUN
eurjchem-2657	43	26	order	order	NOUN
eurjchem-2657	43	27	of	of	ADP
eurjchem-2657	43	28	the	the	DET
eurjchem-2657	43	29	2,4,6,8	2,4,6,8	NUM
eurjchem-2657	43	30	-	-	PUNCT
eurjchem-2657	43	31	tetraaza-1(2,4),5(4,2)-dipyrimidina-3,7(1,3)-dibenzenacyclooctaphane	tetraaza-1(2,4),5(4,2)-dipyrimidina-3,7(1,3)-dibenzenacyclooctaphane	NOUN
eurjchem-2657	43	32	(	(	PUNCT
eurjchem-2657	43	33	tpb	tpb	NOUN
eurjchem-2657	43	34	)	)	PUNCT
eurjchem-2657	43	35	molecule	molecule	NOUN
eurjchem-2657	43	36	.	.	PUNCT
eurjchem-2657	44	1	the	the	DET
eurjchem-2657	44	2	stability	stability	NOUN
eurjchem-2657	44	3	results	result	NOUN
eurjchem-2657	44	4	obtained	obtain	VERB
eurjchem-2657	44	5	in	in	ADP
eurjchem-2657	44	6	each	each	DET
eurjchem-2657	44	7	solvent	solvent	NOUN
eurjchem-2657	44	8	are	be	AUX
eurjchem-2657	44	9	compared	compare	VERB
eurjchem-2657	44	10	with	with	ADP
eurjchem-2657	44	11	each	each	DET
eurjchem-2657	44	12	other	other	ADJ
eurjchem-2657	44	13	and	and	CCONJ
eurjchem-2657	44	14	with	with	ADP
eurjchem-2657	44	15	those	those	PRON
eurjchem-2657	44	16	of	of	ADP
eurjchem-2657	44	17	the	the	DET
eurjchem-2657	44	18	gas	gas	NOUN
eurjchem-2657	44	19	phase	phase	NOUN
eurjchem-2657	44	20	.	.	PUNCT
eurjchem-2657	45	1	furthermore	furthermore	ADV
eurjchem-2657	45	2	,	,	PUNCT
eurjchem-2657	45	3	molecular	molecular	ADJ
eurjchem-2657	45	4	orbital	orbital	ADJ
eurjchem-2657	45	5	(	(	PUNCT
eurjchem-2657	45	6	mo	mo	NOUN
eurjchem-2657	45	7	)	)	PUNCT
eurjchem-2657	45	8	energies	energy	NOUN
eurjchem-2657	45	9	are	be	AUX
eurjchem-2657	45	10	analyzed	analyze	VERB
eurjchem-2657	45	11	to	to	PART
eurjchem-2657	45	12	examine	examine	VERB
eurjchem-2657	45	13	the	the	DET
eurjchem-2657	45	14	role	role	NOUN
eurjchem-2657	45	15	of	of	ADP
eurjchem-2657	45	16	charge	charge	NOUN
eurjchem-2657	45	17	transfer	transfer	NOUN
eurjchem-2657	45	18	in	in	ADP
eurjchem-2657	45	19	the	the	DET
eurjchem-2657	45	20	stability	stability	NOUN
eurjchem-2657	45	21	of	of	ADP
eurjchem-2657	45	22	the	the	DET
eurjchem-2657	45	23	studied	study	VERB
eurjchem-2657	45	24	complex	complex	NOUN
eurjchem-2657	45	25	across	across	ADP
eurjchem-2657	45	26	different	different	ADJ
eurjchem-2657	45	27	solvents	solvent	NOUN
eurjchem-2657	45	28	.	.	PUNCT
eurjchem-2657	46	1	furthermore	furthermore	ADV
eurjchem-2657	46	2	,	,	PUNCT
eurjchem-2657	46	3	molecular	molecular	ADJ
eurjchem-2657	46	4	electrostatic	electrostatic	ADJ
eurjchem-2657	46	5	potential	potential	NOUN
eurjchem-2657	46	6	(	(	PUNCT
eurjchem-2657	46	7	mep	mep	PROPN
eurjchem-2657	46	8	)	)	PUNCT
eurjchem-2657	46	9	analysis	analysis	NOUN
eurjchem-2657	46	10	,	,	PUNCT
eurjchem-2657	46	11	frontier	frontier	NOUN
eurjchem-2657	46	12	molecular	molecular	ADJ
eurjchem-2657	46	13	orbitals	orbital	NOUN
eurjchem-2657	46	14	(	(	PUNCT
eurjchem-2657	46	15	fmo	fmo	NOUN
eurjchem-2657	46	16	)	)	PUNCT
eurjchem-2657	46	17	,	,	PUNCT
eurjchem-2657	46	18	and	and	CCONJ
eurjchem-2657	46	19	thermodynamic	thermodynamic	ADJ
eurjchem-2657	46	20	parameters	parameter	NOUN
eurjchem-2657	46	21	of	of	ADP
eurjchem-2657	46	22	tpb	tpb	NOUN
eurjchem-2657	46	23	are	be	AUX
eurjchem-2657	46	24	studied	study	VERB
eurjchem-2657	46	25	using	use	VERB
eurjchem-2657	46	26	the	the	DET
eurjchem-2657	46	27	b3lyp	b3lyp	NUM
eurjchem-2657	46	28	method	method	NOUN
eurjchem-2657	46	29	with	with	ADP
eurjchem-2657	46	30	the	the	DET
eurjchem-2657	46	31	6	6	NUM
eurjchem-2657	46	32	-	-	SYM
eurjchem-2657	46	33	311g(d	311g(d	NUM
eurjchem-2657	46	34	,	,	PUNCT
eurjchem-2657	46	35	p	p	NOUN
eurjchem-2657	46	36	)	)	PUNCT
eurjchem-2657	46	37	basis	basis	NOUN
eurjchem-2657	46	38	set	set	VERB
eurjchem-2657	46	39	in	in	ADP
eurjchem-2657	46	40	gas	gas	NOUN
eurjchem-2657	46	41	,	,	PUNCT
eurjchem-2657	46	42	n	n	CCONJ
eurjchem-2657	46	43	-	-	PUNCT
eurjchem-2657	46	44	octanol	octanol	NOUN
eurjchem-2657	46	45	,	,	PUNCT
eurjchem-2657	46	46	ethanol	ethanol	NOUN
eurjchem-2657	46	47	and	and	CCONJ
eurjchem-2657	46	48	water	water	NOUN
eurjchem-2657	46	49	phases	phase	NOUN
eurjchem-2657	46	50	.	.	PUNCT
eurjchem-2657	47	1	moreover	moreover	ADV
eurjchem-2657	47	2	,	,	PUNCT
eurjchem-2657	47	3	the	the	DET
eurjchem-2657	47	4	thermodynamic	thermodynamic	ADJ
eurjchem-2657	47	5	properties	property	NOUN
eurjchem-2657	47	6	,	,	PUNCT
eurjchem-2657	47	7	including	include	VERB
eurjchem-2657	47	8	enthalpy	enthalpy	NOUN
eurjchem-2657	47	9	,	,	PUNCT
eurjchem-2657	47	10	entropy	entropy	NOUN
eurjchem-2657	47	11	,	,	PUNCT
eurjchem-2657	47	12	and	and	CCONJ
eurjchem-2657	47	13	specific	specific	ADJ
eurjchem-2657	47	14	heat	heat	NOUN
eurjchem-2657	47	15	,	,	PUNCT
eurjchem-2657	47	16	are	be	AUX
eurjchem-2657	47	17	investigated	investigate	VERB
eurjchem-2657	47	18	with	with	ADP
eurjchem-2657	47	19	respect	respect	NOUN
eurjchem-2657	47	20	to	to	ADP
eurjchem-2657	47	21	temperature	temperature	NOUN
eurjchem-2657	47	22	changes	change	NOUN
eurjchem-2657	47	23	to	to	PART
eurjchem-2657	47	24	provide	provide	VERB
eurjchem-2657	47	25	deeper	deep	ADJ
eurjchem-2657	47	26	insight	insight	NOUN
eurjchem-2657	47	27	into	into	ADP
eurjchem-2657	47	28	the	the	DET
eurjchem-2657	47	29	thermal	thermal	ADJ
eurjchem-2657	47	30	behavior	behavior	NOUN
eurjchem-2657	47	31	of	of	ADP
eurjchem-2657	47	32	tpb	tpb	NOUN
eurjchem-2657	47	33	in	in	ADP
eurjchem-2657	47	34	various	various	ADJ
eurjchem-2657	47	35	solvents	solvent	NOUN
eurjchem-2657	47	36	.	.	PUNCT
eurjchem-2657	48	1	this	this	DET
eurjchem-2657	48	2	comprehensive	comprehensive	ADJ
eurjchem-2657	48	3	investigation	investigation	NOUN
eurjchem-2657	48	4	provides	provide	VERB
eurjchem-2657	48	5	insights	insight	NOUN
eurjchem-2657	48	6	into	into	ADP
eurjchem-2657	48	7	how	how	SCONJ
eurjchem-2657	48	8	the	the	DET
eurjchem-2657	48	9	solvent	solvent	ADJ
eurjchem-2657	48	10	polarity	polarity	NOUN
eurjchem-2657	48	11	influences	influence	VERB
eurjchem-2657	48	12	the	the	DET
eurjchem-2657	48	13	electronic	electronic	ADJ
eurjchem-2657	48	14	structure	structure	NOUN
eurjchem-2657	48	15	and	and	CCONJ
eurjchem-2657	48	16	stability	stability	NOUN
eurjchem-2657	48	17	of	of	ADP
eurjchem-2657	48	18	the	the	DET
eurjchem-2657	48	19	tpb	tpb	NOUN
eurjchem-2657	48	20	molecule	molecule	NOUN
eurjchem-2657	48	21	.	.	PUNCT
eurjchem-2657	49	1	the	the	DET
eurjchem-2657	49	2	findings	finding	NOUN
eurjchem-2657	49	3	could	could	AUX
eurjchem-2657	49	4	enhance	enhance	VERB
eurjchem-2657	49	5	the	the	DET
eurjchem-2657	49	6	understanding	understanding	NOUN
eurjchem-2657	49	7	of	of	ADP
eurjchem-2657	49	8	solvent	solvent	ADJ
eurjchem-2657	49	9	effects	effect	NOUN
eurjchem-2657	49	10	on	on	ADP
eurjchem-2657	49	11	similar	similar	ADJ
eurjchem-2657	49	12	macrocyclic	macrocyclic	NOUN
eurjchem-2657	49	13	compounds	compound	NOUN
eurjchem-2657	49	14	and	and	CCONJ
eurjchem-2657	49	15	their	their	PRON
eurjchem-2657	49	16	potential	potential	ADJ
eurjchem-2657	49	17	applications	application	NOUN
eurjchem-2657	49	18	in	in	ADP
eurjchem-2657	49	19	various	various	ADJ
eurjchem-2657	49	20	fields	field	NOUN
eurjchem-2657	49	21	,	,	PUNCT
eurjchem-2657	49	22	such	such	ADJ
eurjchem-2657	49	23	as	as	ADP
eurjchem-2657	49	24	supramolecular	supramolecular	ADJ
eurjchem-2657	49	25	chemistry	chemistry	NOUN
eurjchem-2657	49	26	.	.	PUNCT
eurjchem-2657	50	1	2	2	X
eurjchem-2657	50	2	.	.	X
eurjchem-2657	50	3	experimental	experimental	ADJ
eurjchem-2657	50	4	for	for	ADP
eurjchem-2657	50	5	all	all	DET
eurjchem-2657	50	6	calculations	calculation	NOUN
eurjchem-2657	50	7	,	,	PUNCT
eurjchem-2657	50	8	we	we	PRON
eurjchem-2657	50	9	used	use	VERB
eurjchem-2657	50	10	density	density	NOUN
eurjchem-2657	50	11	functional	functional	ADJ
eurjchem-2657	50	12	theory	theory	NOUN
eurjchem-2657	50	13	(	(	PUNCT
eurjchem-2657	50	14	dft	dft	PROPN
eurjchem-2657	50	15	)	)	PUNCT
eurjchem-2657	51	1	[	[	X
eurjchem-2657	51	2	12	12	NUM
eurjchem-2657	51	3	]	]	PUNCT
eurjchem-2657	51	4	at	at	ADP
eurjchem-2657	51	5	b3lyp	b3lyp	PROPN
eurjchem-2657	52	1	[	[	X
eurjchem-2657	52	2	13	13	NUM
eurjchem-2657	52	3	]	]	PUNCT
eurjchem-2657	52	4	theory	theory	NOUN
eurjchem-2657	52	5	level	level	NOUN
eurjchem-2657	52	6	.	.	PUNCT
eurjchem-2657	53	1	the	the	DET
eurjchem-2657	53	2	structure	structure	NOUN
eurjchem-2657	53	3	of	of	ADP
eurjchem-2657	53	4	the	the	DET
eurjchem-2657	53	5	2	2	NUM
eurjchem-2657	53	6	,	,	PUNCT
eurjchem-2657	53	7	4	4	NUM
eurjchem-2657	53	8	,	,	PUNCT
eurjchem-2657	53	9	6	6	NUM
eurjchem-2657	53	10	,	,	PUNCT
eurjchem-2657	53	11	8	8	NUM
eurjchem-2657	53	12	-	-	PUNCT
eurjchem-2657	53	13	tetraaza-1(2	tetraaza-1(2	NOUN
eurjchem-2657	53	14	,	,	PUNCT
eurjchem-2657	53	15	4	4	NUM
eurjchem-2657	53	16	)	)	PUNCT
eurjchem-2657	53	17	,	,	PUNCT
eurjchem-2657	53	18	5(4	5(4	NUM
eurjchem-2657	53	19	,	,	PUNCT
eurjchem-2657	53	20	2)-dipyrimidina-3	2)-dipyrimidina-3	NUM
eurjchem-2657	53	21	,	,	PUNCT
eurjchem-2657	53	22	7(1	7(1	NUM
eurjchem-2657	53	23	,	,	PUNCT
eurjchem-2657	53	24	3)-dibenzena	3)-dibenzena	NUM
eurjchem-2657	53	25	cyclooctaphane	cyclooctaphane	PROPN
eurjchem-2657	53	26	(	(	PUNCT
eurjchem-2657	53	27	tpb	tpb	NOUN
eurjchem-2657	53	28	)	)	PUNCT
eurjchem-2657	53	29	molecule	molecule	NOUN
eurjchem-2657	53	30	was	be	AUX
eurjchem-2657	53	31	fully	fully	ADV
eurjchem-2657	53	32	optimized	optimize	VERB
eurjchem-2657	53	33	in	in	ADP
eurjchem-2657	53	34	both	both	CCONJ
eurjchem-2657	53	35	the	the	DET
eurjchem-2657	53	36	gas	gas	NOUN
eurjchem-2657	53	37	phase	phase	NOUN
eurjchem-2657	53	38	and	and	CCONJ
eurjchem-2657	53	39	solvent	solvent	ADJ
eurjchem-2657	53	40	phases	phase	NOUN
eurjchem-2657	53	41	,	,	PUNCT
eurjchem-2657	53	42	including	include	VERB
eurjchem-2657	53	43	n	n	CCONJ
eurjchem-2657	53	44	-	-	PUNCT
eurjchem-2657	53	45	octanol	octanol	NOUN
eurjchem-2657	53	46	,	,	PUNCT
eurjchem-2657	53	47	ethanol	ethanol	NOUN
eurjchem-2657	53	48	,	,	PUNCT
eurjchem-2657	53	49	and	and	CCONJ
eurjchem-2657	53	50	water	water	NOUN
eurjchem-2657	53	51	using	use	VERB
eurjchem-2657	53	52	b3lyp	b3lyp	NUM
eurjchem-2657	53	53	hybrid	hybrid	ADJ
eurjchem-2657	53	54	density	density	NOUN
eurjchem-2657	53	55	functional	functional	ADJ
eurjchem-2657	53	56	,	,	PUNCT
eurjchem-2657	53	57	which	which	PRON
eurjchem-2657	53	58	includes	include	VERB
eurjchem-2657	53	59	the	the	DET
eurjchem-2657	53	60	nonlocal	nonlocal	ADJ
eurjchem-2657	53	61	exchange	exchange	NOUN
eurjchem-2657	53	62	term	term	NOUN
eurjchem-2657	53	63	with	with	ADP
eurjchem-2657	53	64	three	three	NUM
eurjchem-2657	53	65	parameters	parameter	NOUN
eurjchem-2657	53	66	of	of	ADP
eurjchem-2657	53	67	becke	becke	NOUN
eurjchem-2657	53	68	and	and	CCONJ
eurjchem-2657	53	69	the	the	DET
eurjchem-2657	53	70	correlation	correlation	NOUN
eurjchem-2657	53	71	term	term	NOUN
eurjchem-2657	53	72	of	of	ADP
eurjchem-2657	53	73	lee	lee	PROPN
eurjchem-2657	53	74	-	-	PUNCT
eurjchem-2657	53	75	yang	yang	PROPN
eurjchem-2657	53	76	-	-	PUNCT
eurjchem-2657	53	77	parr	parr	PROPN
eurjchem-2657	54	1	[	[	X
eurjchem-2657	54	2	13,19	13,19	NUM
eurjchem-2657	54	3	]	]	PUNCT
eurjchem-2657	54	4	and	and	CCONJ
eurjchem-2657	54	5	6	6	NUM
eurjchem-2657	54	6	-	-	SYM
eurjchem-2657	54	7	311g(d	311g(d	NUM
eurjchem-2657	54	8	,	,	PUNCT
eurjchem-2657	54	9	p	p	NOUN
eurjchem-2657	54	10	)	)	PUNCT
eurjchem-2657	54	11	basis	basis	NOUN
eurjchem-2657	54	12	set	set	NOUN
eurjchem-2657	54	13	.	.	PUNCT
eurjchem-2657	55	1	the	the	DET
eurjchem-2657	55	2	iefpcm	iefpcm	PROPN
eurjchem-2657	55	3	[	[	X
eurjchem-2657	55	4	16	16	NUM
eurjchem-2657	55	5	]	]	PUNCT
eurjchem-2657	55	6	model	model	NOUN
eurjchem-2657	55	7	was	be	AUX
eurjchem-2657	55	8	used	use	VERB
eurjchem-2657	55	9	to	to	PART
eurjchem-2657	55	10	analyze	analyze	VERB
eurjchem-2657	55	11	homa	homa	NOUN
eurjchem-2657	55	12	,	,	PUNCT
eurjchem-2657	55	13	lumo	lumo	NOUN
eurjchem-2657	55	14	,	,	PUNCT
eurjchem-2657	55	15	the	the	DET
eurjchem-2657	55	16	aromaticity	aromaticity	NOUN
eurjchem-2657	55	17	index	index	NOUN
eurjchem-2657	55	18	,	,	PUNCT
eurjchem-2657	55	19	and	and	CCONJ
eurjchem-2657	55	20	the	the	DET
eurjchem-2657	55	21	thermodynamic	thermodynamic	ADJ
eurjchem-2657	55	22	parameters	parameter	NOUN
eurjchem-2657	55	23	in	in	ADP
eurjchem-2657	55	24	specified	specified	ADJ
eurjchem-2657	55	25	solvents	solvent	NOUN
eurjchem-2657	55	26	.	.	PUNCT
eurjchem-2657	56	1	the	the	DET
eurjchem-2657	56	2	dielectric	dielectric	ADJ
eurjchem-2657	56	3	constant	constant	ADJ
eurjchem-2657	56	4	of	of	ADP
eurjchem-2657	56	5	the	the	DET
eurjchem-2657	56	6	gas	gas	NOUN
eurjchem-2657	56	7	phase	phase	NOUN
eurjchem-2657	56	8	is	be	AUX
eurjchem-2657	56	9	1	1	NUM
eurjchem-2657	56	10	.	.	PUNCT
eurjchem-2657	57	1	the	the	DET
eurjchem-2657	57	2	solvents	solvent	NOUN
eurjchem-2657	57	3	used	use	VERB
eurjchem-2657	57	4	in	in	ADP
eurjchem-2657	57	5	our	our	PRON
eurjchem-2657	57	6	calculations	calculation	NOUN
eurjchem-2657	57	7	are	be	AUX
eurjchem-2657	57	8	n	n	PRON
eurjchem-2657	57	9	-	-	PUNCT
eurjchem-2657	57	10	octanol	octanol	NOUN
eurjchem-2657	57	11	,	,	PUNCT
eurjchem-2657	57	12	ethanol	ethanol	NOUN
eurjchem-2657	57	13	,	,	PUNCT
eurjchem-2657	57	14	and	and	CCONJ
eurjchem-2657	57	15	water	water	NOUN
eurjchem-2657	57	16	with	with	ADP
eurjchem-2657	57	17	dielectric	dielectric	ADJ
eurjchem-2657	57	18	constants	constant	NOUN
eurjchem-2657	57	19	of	of	ADP
eurjchem-2657	57	20	9.8629	9.8629	NUM
eurjchem-2657	57	21	,	,	PUNCT
eurjchem-2657	57	22	24.852	24.852	NUM
eurjchem-2657	57	23	and	and	CCONJ
eurjchem-2657	57	24	78.355	78.355	NUM
eurjchem-2657	57	25	,	,	PUNCT
eurjchem-2657	57	26	respectively	respectively	ADV
eurjchem-2657	57	27	.	.	PUNCT
eurjchem-2657	58	1	the	the	DET
eurjchem-2657	58	2	dielectric	dielectric	ADJ
eurjchem-2657	58	3	constant	constant	ADJ
eurjchem-2657	58	4	order	order	NOUN
eurjchem-2657	58	5	of	of	ADP
eurjchem-2657	58	6	solvents	solvent	NOUN
eurjchem-2657	58	7	is	be	AUX
eurjchem-2657	58	8	gas	gas	NOUN
eurjchem-2657	58	9	<	<	X
eurjchem-2657	58	10	n	n	CCONJ
eurjchem-2657	58	11	-	-	PUNCT
eurjchem-2657	58	12	octanol	octanol	NOUN
eurjchem-2657	58	13	<	<	X
eurjchem-2657	58	14	ethanol	ethanol	NOUN
eurjchem-2657	58	15	<	<	X
eurjchem-2657	58	16	water	water	NOUN
eurjchem-2657	58	17	.	.	PUNCT
eurjchem-2657	59	1	the	the	DET
eurjchem-2657	59	2	optimized	optimize	VERB
eurjchem-2657	59	3	structures	structure	NOUN
eurjchem-2657	59	4	were	be	AUX
eurjchem-2657	59	5	then	then	ADV
eurjchem-2657	59	6	used	use	VERB
eurjchem-2657	59	7	for	for	ADP
eurjchem-2657	59	8	the	the	DET
eurjchem-2657	59	9	determination	determination	NOUN
eurjchem-2657	59	10	of	of	ADP
eurjchem-2657	59	11	thermodynamic	thermodynamic	ADJ
eurjchem-2657	59	12	parameters	parameter	NOUN
eurjchem-2657	59	13	,	,	PUNCT
eurjchem-2657	59	14	and	and	CCONJ
eurjchem-2657	59	15	investigation	investigation	NOUN
eurjchem-2657	59	16	of	of	ADP
eurjchem-2657	59	17	properties	property	NOUN
eurjchem-2657	59	18	such	such	ADJ
eurjchem-2657	59	19	as	as	ADP
eurjchem-2657	59	20	homo	homo	NOUN
eurjchem-2657	59	21	,	,	PUNCT
eurjchem-2657	59	22	lumo	lumo	NOUN
eurjchem-2657	59	23	.	.	PUNCT
eurjchem-2657	60	1	contributions	contribution	NOUN
eurjchem-2657	60	2	of	of	ADP
eurjchem-2657	60	3	atomic	atomic	ADJ
eurjchem-2657	60	4	orbitals	orbital	NOUN
eurjchem-2657	60	5	to	to	ADP
eurjchem-2657	60	6	homo	homo	NOUN
eurjchem-2657	60	7	and	and	CCONJ
eurjchem-2657	60	8	lumo	lumo	NOUN
eurjchem-2657	60	9	in	in	ADP
eurjchem-2657	60	10	both	both	CCONJ
eurjchem-2657	60	11	the	the	DET
eurjchem-2657	60	12	gas	gas	NOUN
eurjchem-2657	60	13	phase	phase	NOUN
eurjchem-2657	60	14	and	and	CCONJ
eurjchem-2657	60	15	the	the	DET
eurjchem-2657	60	16	solvent	solvent	ADJ
eurjchem-2657	60	17	phases	phase	NOUN
eurjchem-2657	60	18	,	,	PUNCT
eurjchem-2657	60	19	including	include	VERB
eurjchem-2657	60	20	n	n	CCONJ
eurjchem-2657	60	21	-	-	PUNCT
eurjchem-2657	60	22	octanol	octanol	NOUN
eurjchem-2657	60	23	,	,	PUNCT
eurjchem-2657	60	24	ethanol	ethanol	NOUN
eurjchem-2657	60	25	,	,	PUNCT
eurjchem-2657	60	26	and	and	CCONJ
eurjchem-2657	60	27	water	water	NOUN
eurjchem-2657	60	28	were	be	AUX
eurjchem-2657	60	29	calculated	calculate	VERB
eurjchem-2657	60	30	using	use	VERB
eurjchem-2657	60	31	the	the	DET
eurjchem-2657	60	32	multiwfn	multiwfn	PROPN
eurjchem-2657	60	33	program	program	NOUN
eurjchem-2657	60	34	[	[	X
eurjchem-2657	60	35	20	20	NUM
eurjchem-2657	60	36	]	]	PUNCT
eurjchem-2657	60	37	.	.	PUNCT
eurjchem-2657	61	1	the	the	DET
eurjchem-2657	61	2	surface	surface	NOUN
eurjchem-2657	61	3	properties	property	NOUN
eurjchem-2657	61	4	of	of	ADP
eurjchem-2657	61	5	tpb	tpb	NOUN
eurjchem-2657	61	6	were	be	AUX
eurjchem-2657	61	7	analyzed	analyze	VERB
eurjchem-2657	61	8	using	use	VERB
eurjchem-2657	61	9	multiwfn	multiwfn	NOUN
eurjchem-2657	61	10	in	in	ADP
eurjchem-2657	61	11	the	the	DET
eurjchem-2657	61	12	gas	gas	NOUN
eurjchem-2657	61	13	phase	phase	NOUN
eurjchem-2657	61	14	and	and	CCONJ
eurjchem-2657	61	15	in	in	ADP
eurjchem-2657	61	16	solvent	solvent	ADJ
eurjchem-2657	61	17	phases	phase	NOUN
eurjchem-2657	61	18	such	such	ADJ
eurjchem-2657	61	19	as	as	ADP
eurjchem-2657	61	20	n	n	NOUN
eurjchem-2657	61	21	-	-	PUNCT
eurjchem-2657	61	22	octanol	octanol	NOUN
eurjchem-2657	61	23	,	,	PUNCT
eurjchem-2657	61	24	ethanol	ethanol	NOUN
eurjchem-2657	61	25	,	,	PUNCT
eurjchem-2657	61	26	and	and	CCONJ
eurjchem-2657	61	27	water	water	NOUN
eurjchem-2657	61	28	,	,	PUNCT
eurjchem-2657	61	29	using	use	VERB
eurjchem-2657	61	30	the	the	DET
eurjchem-2657	61	31	b3lyp	b3lyp	NUM
eurjchem-2657	61	32	method	method	NOUN
eurjchem-2657	61	33	and	and	CCONJ
eurjchem-2657	61	34	the	the	DET
eurjchem-2657	61	35	6	6	NUM
eurjchem-2657	61	36	-	-	SYM
eurjchem-2657	61	37	311g(d	311g(d	NUM
eurjchem-2657	61	38	,	,	PUNCT
eurjchem-2657	61	39	p	p	NOUN
eurjchem-2657	61	40	)	)	PUNCT
eurjchem-2657	61	41	basis	basis	NOUN
eurjchem-2657	61	42	set	set	NOUN
eurjchem-2657	61	43	.	.	PUNCT
eurjchem-2657	62	1	the	the	DET
eurjchem-2657	62	2	surface	surface	NOUN
eurjchem-2657	62	3	properties	property	NOUN
eurjchem-2657	62	4	and	and	CCONJ
eurjchem-2657	62	5	homa	homa	NOUN
eurjchem-2657	62	6	indices	index	NOUN
eurjchem-2657	62	7	of	of	ADP
eurjchem-2657	62	8	tpb	tpb	NOUN
eurjchem-2657	62	9	in	in	ADP
eurjchem-2657	62	10	the	the	DET
eurjchem-2657	62	11	gas	gas	NOUN
eurjchem-2657	62	12	phase	phase	NOUN
eurjchem-2657	62	13	and	and	CCONJ
eurjchem-2657	62	14	the	the	DET
eurjchem-2657	62	15	solvent	solvent	ADJ
eurjchem-2657	62	16	phase	phase	NOUN
eurjchem-2657	62	17	were	be	AUX
eurjchem-2657	62	18	carried	carry	VERB
eurjchem-2657	62	19	out	out	ADP
eurjchem-2657	62	20	using	use	VERB
eurjchem-2657	62	21	data	datum	NOUN
eurjchem-2657	62	22	obtained	obtain	VERB
eurjchem-2657	62	23	from	from	ADP
eurjchem-2657	62	24	b3lyp	b3lyp	NUM
eurjchem-2657	62	25	and	and	CCONJ
eurjchem-2657	62	26	6	6	NUM
eurjchem-2657	62	27	-	-	SYM
eurjchem-2657	62	28	311g(d	311g(d	NUM
eurjchem-2657	62	29	,	,	PUNCT
eurjchem-2657	62	30	p	p	NOUN
eurjchem-2657	62	31	)	)	PUNCT
eurjchem-2657	62	32	with	with	ADP
eurjchem-2657	62	33	the	the	DET
eurjchem-2657	62	34	multiwfn	multiwfn	PROPN
eurjchem-2657	62	35	program	program	NOUN
eurjchem-2657	62	36	[	[	X
eurjchem-2657	62	37	21	21	NUM
eurjchem-2657	62	38	]	]	PUNCT
eurjchem-2657	62	39	.	.	PUNCT
eurjchem-2657	63	1	3	3	X
eurjchem-2657	63	2	.	.	NOUN
eurjchem-2657	63	3	results	result	NOUN
eurjchem-2657	63	4	and	and	CCONJ
eurjchem-2657	63	5	discussion	discussion	VERB
eurjchem-2657	63	6	the	the	DET
eurjchem-2657	63	7	optimized	optimize	VERB
eurjchem-2657	63	8	form	form	NOUN
eurjchem-2657	63	9	of	of	ADP
eurjchem-2657	63	10	the	the	DET
eurjchem-2657	63	11	tpb	tpb	NOUN
eurjchem-2657	63	12	structure	structure	NOUN
eurjchem-2657	63	13	,	,	PUNCT
eurjchem-2657	63	14	including	include	VERB
eurjchem-2657	63	15	atomic	atomic	ADJ
eurjchem-2657	63	16	numbering	numbering	NOUN
eurjchem-2657	63	17	,	,	PUNCT
eurjchem-2657	63	18	is	be	AUX
eurjchem-2657	63	19	shown	show	VERB
eurjchem-2657	63	20	in	in	ADP
eurjchem-2657	63	21	figure	figure	NOUN
eurjchem-2657	63	22	1	1	NUM
eurjchem-2657	63	23	.	.	PUNCT
eurjchem-2657	64	1	there	there	PRON
eurjchem-2657	64	2	are	be	VERB
eurjchem-2657	64	3	two	two	NUM
eurjchem-2657	64	4	pyrimidine	pyrimidine	NOUN
eurjchem-2657	64	5	rings	ring	NOUN
eurjchem-2657	64	6	labeled	label	VERB
eurjchem-2657	64	7	a	a	PRON
eurjchem-2657	64	8	and	and	CCONJ
eurjchem-2657	64	9	c	c	NOUN
eurjchem-2657	64	10	and	and	CCONJ
eurjchem-2657	64	11	two	two	NUM
eurjchem-2657	64	12	benzyl	benzyl	NOUN
eurjchem-2657	64	13	groups	group	NOUN
eurjchem-2657	64	14	labeled	label	VERB
eurjchem-2657	64	15	b	b	PROPN
eurjchem-2657	64	16	and	and	CCONJ
eurjchem-2657	64	17	d.	d.	PROPN
eurjchem-2657	64	18	the	the	DET
eurjchem-2657	64	19	homa	homa	PROPN
eurjchem-2657	64	20	values	value	NOUN
eurjchem-2657	64	21	of	of	ADP
eurjchem-2657	64	22	the	the	DET
eurjchem-2657	64	23	a	a	DET
eurjchem-2657	64	24	ring	ring	NOUN
eurjchem-2657	64	25	and	and	CCONJ
eurjchem-2657	64	26	c	c	NOUN
eurjchem-2657	64	27	are	be	AUX
eurjchem-2657	64	28	nearly	nearly	ADV
eurjchem-2657	64	29	identical	identical	ADJ
eurjchem-2657	64	30	.	.	PUNCT
eurjchem-2657	65	1	the	the	DET
eurjchem-2657	65	2	homa	homa	NOUN
eurjchem-2657	65	3	values	value	NOUN
eurjchem-2657	65	4	of	of	ADP
eurjchem-2657	65	5	the	the	DET
eurjchem-2657	65	6	a	a	DET
eurjchem-2657	65	7	ring	ring	NOUN
eurjchem-2657	65	8	(	(	PUNCT
eurjchem-2657	65	9	pyrimidine	pyrimidine	NOUN
eurjchem-2657	65	10	group	group	NOUN
eurjchem-2657	65	11	)	)	PUNCT
eurjchem-2657	65	12	for	for	ADP
eurjchem-2657	65	13	gas	gas	NOUN
eurjchem-2657	65	14	,	,	PUNCT
eurjchem-2657	65	15	n	n	CCONJ
eurjchem-2657	65	16	-	-	PUNCT
eurjchem-2657	65	17	octanol	octanol	NOUN
eurjchem-2657	65	18	,	,	PUNCT
eurjchem-2657	65	19	ethanol	ethanol	NOUN
eurjchem-2657	65	20	,	,	PUNCT
eurjchem-2657	65	21	and	and	CCONJ
eurjchem-2657	65	22	water	water	NOUN
eurjchem-2657	65	23	phases	phase	NOUN
eurjchem-2657	65	24	are	be	AUX
eurjchem-2657	65	25	0.967879	0.967879	NUM
eurjchem-2657	65	26	,	,	PUNCT
eurjchem-2657	65	27	0.963554	0.963554	NUM
eurjchem-2657	65	28	,	,	PUNCT
eurjchem-2657	65	29	0.962927	0.962927	NUM
eurjchem-2657	65	30	,	,	PUNCT
eurjchem-2657	65	31	0.962698	0.962698	NUM
eurjchem-2657	65	32	,	,	PUNCT
eurjchem-2657	65	33	respectively	respectively	ADV
eurjchem-2657	65	34	,	,	PUNCT
eurjchem-2657	65	35	supporting	support	VERB
eurjchem-2657	65	36	that	that	SCONJ
eurjchem-2657	65	37	the	the	DET
eurjchem-2657	65	38	interactions	interaction	NOUN
eurjchem-2657	65	39	can	can	AUX
eurjchem-2657	65	40	slightly	slightly	ADV
eurjchem-2657	65	41	affect	affect	VERB
eurjchem-2657	65	42	the	the	DET
eurjchem-2657	65	43	homa	homa	PROPN
eurjchem-2657	65	44	index	index	NOUN
eurjchem-2657	65	45	(	(	PUNCT
eurjchem-2657	65	46	table	table	NOUN
eurjchem-2657	65	47	1	1	NUM
eurjchem-2657	65	48	)	)	PUNCT
eurjchem-2657	65	49	,	,	PUNCT
eurjchem-2657	65	50	but	but	CCONJ
eurjchem-2657	65	51	the	the	DET
eurjchem-2657	65	52	changes	change	NOUN
eurjchem-2657	65	53	are	be	AUX
eurjchem-2657	65	54	minimal	minimal	ADJ
eurjchem-2657	65	55	due	due	ADP
eurjchem-2657	65	56	to	to	ADP
eurjchem-2657	65	57	the	the	DET
eurjchem-2657	65	58	highly	highly	ADV
eurjchem-2657	65	59	aromatic	aromatic	ADJ
eurjchem-2657	65	60	nature	nature	NOUN
eurjchem-2657	65	61	of	of	ADP
eurjchem-2657	65	62	the	the	DET
eurjchem-2657	65	63	pyrimidine	pyrimidine	NOUN
eurjchem-2657	65	64	group	group	NOUN
eurjchem-2657	66	1	[	[	X
eurjchem-2657	66	2	22	22	NUM
eurjchem-2657	66	3	]	]	PUNCT
eurjchem-2657	66	4	.	.	PUNCT
eurjchem-2657	67	1	the	the	DET
eurjchem-2657	67	2	decrease	decrease	NOUN
eurjchem-2657	67	3	in	in	ADP
eurjchem-2657	67	4	aromacity	aromacity	NOUN
eurjchem-2657	67	5	of	of	ADP
eurjchem-2657	67	6	the	the	DET
eurjchem-2657	67	7	pyrimidine	pyrimidine	NOUN
eurjchem-2657	67	8	ring	ring	NOUN
eurjchem-2657	67	9	of	of	ADP
eurjchem-2657	67	10	tpb	tpb	NOUN
eurjchem-2657	67	11	is	be	AUX
eurjchem-2657	67	12	0.45	0.45	NUM
eurjchem-2657	67	13	,	,	PUNCT
eurjchem-2657	67	14	0.51	0.51	NUM
eurjchem-2657	67	15	,	,	PUNCT
eurjchem-2657	67	16	and	and	CCONJ
eurjchem-2657	67	17	0.54	0.54	NUM
eurjchem-2657	67	18	%	%	NOUN
eurjchem-2657	67	19	as	as	SCONJ
eurjchem-2657	67	20	we	we	PRON
eurjchem-2657	67	21	move	move	VERB
eurjchem-2657	67	22	from	from	ADP
eurjchem-2657	67	23	the	the	DET
eurjchem-2657	67	24	gas	gas	NOUN
eurjchem-2657	67	25	phase	phase	NOUN
eurjchem-2657	67	26	to	to	PART
eurjchem-2657	67	27	octanol	octanol	VERB
eurjchem-2657	67	28	,	,	PUNCT
eurjchem-2657	67	29	ethanol	ethanol	NOUN
eurjchem-2657	67	30	,	,	PUNCT
eurjchem-2657	67	31	and	and	CCONJ
eurjchem-2657	67	32	finally	finally	ADV
eurjchem-2657	67	33	water	water	NOUN
eurjchem-2657	67	34	,	,	PUNCT
eurjchem-2657	67	35	which	which	PRON
eurjchem-2657	67	36	means	mean	VERB
eurjchem-2657	67	37	that	that	SCONJ
eurjchem-2657	67	38	the	the	DET
eurjchem-2657	67	39	aromaticity	aromaticity	NOUN
eurjchem-2657	67	40	of	of	ADP
eurjchem-2657	67	41	the	the	DET
eurjchem-2657	67	42	pyrimidine	pyrimidine	NOUN
eurjchem-2657	67	43	ring	ring	NOUN
eurjchem-2657	67	44	is	be	AUX
eurjchem-2657	67	45	highest	high	ADJ
eurjchem-2657	67	46	in	in	ADP
eurjchem-2657	67	47	the	the	DET
eurjchem-2657	67	48	gas	gas	NOUN
eurjchem-2657	67	49	phase	phase	NOUN
eurjchem-2657	67	50	and	and	CCONJ
eurjchem-2657	67	51	decreases	decrease	VERB
eurjchem-2657	67	52	progressively	progressively	ADV
eurjchem-2657	67	53	as	as	SCONJ
eurjchem-2657	67	54	the	the	DET
eurjchem-2657	67	55	solvent	solvent	NOUN
eurjchem-2657	67	56	polarity	polarity	NOUN
eurjchem-2657	67	57	increases	increase	VERB
eurjchem-2657	67	58	.	.	PUNCT
eurjchem-2657	68	1	on	on	ADP
eurjchem-2657	68	2	the	the	DET
eurjchem-2657	68	3	contrary	contrary	NOUN
eurjchem-2657	68	4	,	,	PUNCT
eurjchem-2657	68	5	the	the	DET
eurjchem-2657	68	6	increase	increase	NOUN
eurjchem-2657	68	7	in	in	ADP
eurjchem-2657	68	8	aromacity	aromacity	NOUN
eurjchem-2657	68	9	of	of	ADP
eurjchem-2657	68	10	the	the	DET
eurjchem-2657	68	11	benzene	benzene	NOUN
eurjchem-2657	68	12	ring	ring	NOUN
eurjchem-2657	68	13	of	of	ADP
eurjchem-2657	68	14	tpb	tpb	NOUN
eurjchem-2657	68	15	is	be	AUX
eurjchem-2657	68	16	0.013	0.013	NUM
eurjchem-2657	68	17	,	,	PUNCT
eurjchem-2657	68	18	0.074	0.074	NUM
eurjchem-2657	68	19	,	,	PUNCT
eurjchem-2657	68	20	and	and	CCONJ
eurjchem-2657	68	21	0.093	0.093	NUM
eurjchem-2657	68	22	%	%	NOUN
eurjchem-2657	68	23	as	as	SCONJ
eurjchem-2657	68	24	we	we	PRON
eurjchem-2657	68	25	move	move	VERB
eurjchem-2657	68	26	from	from	ADP
eurjchem-2657	68	27	the	the	DET
eurjchem-2657	68	28	gas	gas	NOUN
eurjchem-2657	68	29	phase	phase	NOUN
eurjchem-2657	68	30	to	to	PART
eurjchem-2657	68	31	octanol	octanol	VERB
eurjchem-2657	68	32	,	,	PUNCT
eurjchem-2657	68	33	ethanol	ethanol	NOUN
eurjchem-2657	68	34	,	,	PUNCT
eurjchem-2657	68	35	and	and	CCONJ
eurjchem-2657	68	36	finally	finally	ADV
eurjchem-2657	68	37	water	water	NOUN
eurjchem-2657	68	38	shows	show	VERB
eurjchem-2657	68	39	that	that	SCONJ
eurjchem-2657	68	40	the	the	DET
eurjchem-2657	68	41	aromaticity	aromaticity	NOUN
eurjchem-2657	68	42	of	of	ADP
eurjchem-2657	68	43	the	the	DET
eurjchem-2657	68	44	benzene	benzene	NOUN
eurjchem-2657	68	45	ring	ring	NOUN
eurjchem-2657	68	46	is	be	AUX
eurjchem-2657	68	47	the	the	DET
eurjchem-2657	68	48	highest	high	ADJ
eurjchem-2657	68	49	in	in	ADP
eurjchem-2657	68	50	the	the	DET
eurjchem-2657	68	51	water	water	NOUN
eurjchem-2657	68	52	phase	phase	NOUN
eurjchem-2657	68	53	and	and	CCONJ
eurjchem-2657	68	54	increases	increase	VERB
eurjchem-2657	68	55	progressively	progressively	ADV
eurjchem-2657	68	56	as	as	SCONJ
eurjchem-2657	68	57	the	the	DET
eurjchem-2657	68	58	solvent	solvent	NOUN
eurjchem-2657	68	59	polarity	polarity	NOUN
eurjchem-2657	68	60	increases	increase	VERB
eurjchem-2657	68	61	.	.	PUNCT
eurjchem-2657	69	1	the	the	DET
eurjchem-2657	69	2	homa	homa	PROPN
eurjchem-2657	69	3	index	index	NOUN
eurjchem-2657	69	4	for	for	ADP
eurjchem-2657	69	5	group	group	NOUN
eurjchem-2657	69	6	b	b	PROPN
eurjchem-2657	69	7	(	(	PUNCT
eurjchem-2657	69	8	benzyl	benzyl	NOUN
eurjchem-2657	69	9	)	)	PUNCT
eurjchem-2657	69	10	is	be	AUX
eurjchem-2657	69	11	0.967392	0.967392	NUM
eurjchem-2657	69	12	,	,	PUNCT
eurjchem-2657	69	13	which	which	PRON
eurjchem-2657	69	14	is	be	AUX
eurjchem-2657	69	15	lower	low	ADJ
eurjchem-2657	69	16	than	than	ADP
eurjchem-2657	69	17	that	that	PRON
eurjchem-2657	69	18	of	of	ADP
eurjchem-2657	69	19	the	the	DET
eurjchem-2657	69	20	pyrimidine	pyrimidine	NOUN
eurjchem-2657	69	21	group	group	NOUN
eurjchem-2657	69	22	of	of	ADP
eurjchem-2657	69	23	tpb	tpb	NOUN
eurjchem-2657	69	24	due	due	ADP
eurjchem-2657	69	25	to	to	ADP
eurjchem-2657	69	26	the	the	DET
eurjchem-2657	69	27	electron	electron	NOUN
eurjchem-2657	69	28	-	-	PUNCT
eurjchem-2657	69	29	withdrawing	withdraw	VERB
eurjchem-2657	69	30	effect	effect	NOUN
eurjchem-2657	69	31	of	of	ADP
eurjchem-2657	69	32	nitrogen	nitrogen	NOUN
eurjchem-2657	69	33	atoms	atom	NOUN
eurjchem-2657	69	34	[	[	X
eurjchem-2657	69	35	22	22	NUM
eurjchem-2657	69	36	]	]	PUNCT
eurjchem-2657	69	37	.	.	PUNCT
eurjchem-2657	70	1	tosun	tosun	NOUN
eurjchem-2657	70	2	and	and	CCONJ
eurjchem-2657	70	3	kandemirli	kandemirli	ADJ
eurjchem-2657	70	4	/	/	SYM
eurjchem-2657	70	5	european	european	ADJ
eurjchem-2657	70	6	journal	journal	PROPN
eurjchem-2657	70	7	of	of	ADP
eurjchem-2657	70	8	chemistry	chemistry	NOUN
eurjchem-2657	70	9	16	16	NUM
eurjchem-2657	70	10	(	(	PUNCT
eurjchem-2657	70	11	3	3	NUM
eurjchem-2657	70	12	)	)	PUNCT
eurjchem-2657	70	13	(	(	PUNCT
eurjchem-2657	70	14	2025	2025	NUM
eurjchem-2657	70	15	)	)	PUNCT
eurjchem-2657	70	16	267	267	NUM
eurjchem-2657	70	17	-	-	SYM
eurjchem-2657	70	18	274	274	NUM
eurjchem-2657	70	19	269	269	NUM
eurjchem-2657	70	20	2025	2025	NUM
eurjchem-2657	70	21	–	–	PUNCT
eurjchem-2657	70	22	european	european	ADJ
eurjchem-2657	70	23	journal	journal	NOUN
eurjchem-2657	70	24	of	of	ADP
eurjchem-2657	70	25	chemistry	chemistry	NOUN
eurjchem-2657	70	26	–	–	PUNCT
eurjchem-2657	70	27	cc	cc	NOUN
eurjchem-2657	70	28	by	by	ADP
eurjchem-2657	70	29	nc	nc	PROPN
eurjchem-2657	70	30	–	–	PUNCT
eurjchem-2657	70	31	doi	doi	NOUN
eurjchem-2657	70	32	:	:	PUNCT
eurjchem-2657	70	33	10.5155	10.5155	NUM
eurjchem-2657	70	34	/	/	SYM
eurjchem-2657	70	35	eurjchem.16.3.267	eurjchem.16.3.267	NUM
eurjchem-2657	70	36	-	-	PUNCT
eurjchem-2657	70	37	274.2657	274.2657	NUM
eurjchem-2657	70	38	table	table	NOUN
eurjchem-2657	70	39	2	2	NUM
eurjchem-2657	70	40	.	.	X
eurjchem-2657	70	41	contribution	contribution	NOUN
eurjchem-2657	70	42	to	to	ADP
eurjchem-2657	70	43	homa	homa	VERB
eurjchem-2657	70	44	for	for	ADP
eurjchem-2657	70	45	tpb	tpb	NOUN
eurjchem-2657	70	46	.	.	PUNCT
eurjchem-2657	71	1	group	group	NOUN
eurjchem-2657	71	2	bonds	bond	NOUN
eurjchem-2657	71	3	gas	gas	NOUN
eurjchem-2657	71	4	n	n	CCONJ
eurjchem-2657	71	5	-	-	PUNCT
eurjchem-2657	71	6	octanol	octanol	NOUN
eurjchem-2657	71	7	ethanol	ethanol	NOUN
eurjchem-2657	71	8	water	water	NOUN
eurjchem-2657	71	9	a	a	DET
eurjchem-2657	71	10	17c-4n	17c-4n	NUM
eurjchem-2657	71	11	-0.002263	-0.002263	ADJ
eurjchem-2657	71	12	-0.002092	-0.002092	NOUN
eurjchem-2657	71	13	-0.001983	-0.001983	PROPN
eurjchem-2657	71	14	-0.001929	-0.001929	NOUN
eurjchem-2657	71	15	4n-21c	4n-21c	NUM
eurjchem-2657	71	16	-0.000007	-0.000007	ADJ
eurjchem-2657	71	17	-0.000240	-0.000240	PROPN
eurjchem-2657	71	18	-0.000334	-0.000334	X
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eurjchem-2657	99	128	.	.	PUNCT
eurjchem-2657	100	1	the	the	DET
eurjchem-2657	100	2	increase	increase	NOUN
eurjchem-2657	100	3	in	in	ADP
eurjchem-2657	100	4	aromaticity	aromaticity	NOUN
eurjchem-2657	100	5	of	of	ADP
eurjchem-2657	100	6	the	the	DET
eurjchem-2657	100	7	pyrimidine	pyrimidine	NOUN
eurjchem-2657	100	8	ring	ring	NOUN
eurjchem-2657	100	9	for	for	ADP
eurjchem-2657	100	10	tpb	tpb	NOUN
eurjchem-2657	100	11	is	be	AUX
eurjchem-2657	100	12	0.013	0.013	NUM
eurjchem-2657	100	13	,	,	PUNCT
eurjchem-2657	100	14	0.07	0.07	NUM
eurjchem-2657	100	15	and	and	CCONJ
eurjchem-2657	100	16	0.09	0.09	NUM
eurjchem-2657	100	17	%	%	NOUN
eurjchem-2657	100	18	,	,	PUNCT
eurjchem-2657	100	19	respectively	respectively	ADV
eurjchem-2657	100	20	(	(	PUNCT
eurjchem-2657	100	21	table	table	NOUN
eurjchem-2657	100	22	2	2	NUM
eurjchem-2657	100	23	)	)	PUNCT
eurjchem-2657	100	24	.	.	PUNCT
eurjchem-2657	101	1	17c-4n	17c-4n	NUM
eurjchem-2657	101	2	deviates	deviate	VERB
eurjchem-2657	101	3	slightly	slightly	ADV
eurjchem-2657	101	4	from	from	ADP
eurjchem-2657	101	5	the	the	DET
eurjchem-2657	101	6	ideal	ideal	ADJ
eurjchem-2657	101	7	bond	bond	NOUN
eurjchem-2657	101	8	length	length	NOUN
eurjchem-2657	101	9	,	,	PUNCT
eurjchem-2657	101	10	leading	lead	VERB
eurjchem-2657	101	11	to	to	ADP
eurjchem-2657	101	12	a	a	DET
eurjchem-2657	101	13	slightly	slightly	ADV
eurjchem-2657	101	14	negative	negative	ADJ
eurjchem-2657	101	15	contribution	contribution	NOUN
eurjchem-2657	101	16	to	to	ADP
eurjchem-2657	101	17	homa	homa	NOUN
eurjchem-2657	101	18	,	,	PUNCT
eurjchem-2657	101	19	in	in	ADP
eurjchem-2657	101	20	other	other	ADJ
eurjchem-2657	101	21	words	word	NOUN
eurjchem-2657	101	22	,	,	PUNCT
eurjchem-2657	101	23	slightly	slightly	ADV
eurjchem-2657	101	24	broken	break	VERB
eurjchem-2657	101	25	aromaticity	aromaticity	NOUN
eurjchem-2657	101	26	for	for	ADP
eurjchem-2657	101	27	the	the	DET
eurjchem-2657	101	28	pyrimidine	pyrimidine	NOUN
eurjchem-2657	101	29	group	group	NOUN
eurjchem-2657	101	30	[	[	X
eurjchem-2657	101	31	24	24	NUM
eurjchem-2657	101	32	]	]	PUNCT
eurjchem-2657	101	33	.	.	PUNCT
eurjchem-2657	102	1	the	the	DET
eurjchem-2657	102	2	17c-4n	17c-4n	NUM
eurjchem-2657	102	3	bond	bond	NOUN
eurjchem-2657	102	4	lengths	length	NOUN
eurjchem-2657	102	5	for	for	ADP
eurjchem-2657	102	6	gas	gas	NOUN
eurjchem-2657	102	7	,	,	PUNCT
eurjchem-2657	102	8	n	n	CCONJ
eurjchem-2657	102	9	-	-	PUNCT
eurjchem-2657	102	10	octanol	octanol	NOUN
eurjchem-2657	102	11	,	,	PUNCT
eurjchem-2657	102	12	ethanol	ethanol	NOUN
eurjchem-2657	102	13	,	,	PUNCT
eurjchem-2657	102	14	and	and	CCONJ
eurjchem-2657	102	15	water	water	NOUN
eurjchem-2657	102	16	phase	phase	NOUN
eurjchem-2657	102	17	are	be	AUX
eurjchem-2657	102	18	1.346048	1.346048	NUM
eurjchem-2657	102	19	,	,	PUNCT
eurjchem-2657	102	20	1.345280	1.345280	NUM
eurjchem-2657	102	21	,	,	PUNCT
eurjchem-2657	102	22	1.345586	1.345586	NUM
eurjchem-2657	102	23	,	,	PUNCT
eurjchem-2657	102	24	and	and	CCONJ
eurjchem-2657	102	25	1.345125	1.345125	NUM
eurjchem-2657	102	26	å	å	NOUN
eurjchem-2657	102	27	.	.	PUNCT
eurjchem-2657	103	1	the	the	DET
eurjchem-2657	103	2	negative	negative	ADJ
eurjchem-2657	103	3	contribution	contribution	NOUN
eurjchem-2657	103	4	decreases	decrease	VERB
eurjchem-2657	103	5	from	from	ADP
eurjchem-2657	103	6	the	the	DET
eurjchem-2657	103	7	gas	gas	NOUN
eurjchem-2657	103	8	phase	phase	NOUN
eurjchem-2657	103	9	to	to	ADP
eurjchem-2657	103	10	the	the	DET
eurjchem-2657	103	11	liquid	liquid	ADJ
eurjchem-2657	103	12	phase	phase	NOUN
eurjchem-2657	103	13	for	for	ADP
eurjchem-2657	103	14	the	the	DET
eurjchem-2657	103	15	pyrimidine	pyrimidine	NOUN
eurjchem-2657	103	16	group	group	NOUN
eurjchem-2657	103	17	of	of	ADP
eurjchem-2657	103	18	tpb	tpb	NOUN
eurjchem-2657	103	19	.	.	PUNCT
eurjchem-2657	104	1	the	the	DET
eurjchem-2657	104	2	decreasing	decrease	VERB
eurjchem-2657	104	3	order	order	NOUN
eurjchem-2657	104	4	is	be	AUX
eurjchem-2657	104	5	the	the	DET
eurjchem-2657	104	6	gas	gas	NOUN
eurjchem-2657	104	7	phase	phase	NOUN
eurjchem-2657	104	8	(	(	PUNCT
eurjchem-2657	104	9	-0.002263	-0.002263	ADV
eurjchem-2657	104	10	)	)	PUNCT
eurjchem-2657	104	11	>	>	PUNCT
eurjchem-2657	104	12	n	n	CCONJ
eurjchem-2657	104	13	-	-	PUNCT
eurjchem-2657	104	14	octanol	octanol	NOUN
eurjchem-2657	104	15	(	(	PUNCT
eurjchem-2657	104	16	-0.001983	-0.001983	NOUN
eurjchem-2657	104	17	)	)	PUNCT
eurjchem-2657	104	18	>	>	X
eurjchem-2657	104	19	ethanol	ethanol	NOUN
eurjchem-2657	104	20	(	(	PUNCT
eurjchem-2657	104	21	0.002092	0.002092	NUM
eurjchem-2657	104	22	)	)	PUNCT
eurjchem-2657	104	23	>	>	X
eurjchem-2657	104	24	water	water	NOUN
eurjchem-2657	104	25	(	(	PUNCT
eurjchem-2657	104	26	-0.001929	-0.001929	NOUN
eurjchem-2657	104	27	)	)	PUNCT
eurjchem-2657	104	28	.	.	PUNCT
eurjchem-2657	105	1	in	in	ADP
eurjchem-2657	105	2	contrast	contrast	NOUN
eurjchem-2657	105	3	,	,	PUNCT
eurjchem-2657	105	4	the	the	DET
eurjchem-2657	105	5	negative	negative	ADJ
eurjchem-2657	105	6	contribution	contribution	NOUN
eurjchem-2657	105	7	increases	increase	VERB
eurjchem-2657	105	8	for	for	ADP
eurjchem-2657	105	9	the	the	DET
eurjchem-2657	105	10	10c-6c	10c-6c	NUM
eurjchem-2657	105	11	bond	bond	NOUN
eurjchem-2657	105	12	from	from	ADP
eurjchem-2657	105	13	the	the	DET
eurjchem-2657	105	14	gas	gas	NOUN
eurjchem-2657	105	15	phase	phase	NOUN
eurjchem-2657	105	16	to	to	ADP
eurjchem-2657	105	17	the	the	DET
eurjchem-2657	105	18	liquid	liquid	ADJ
eurjchem-2657	105	19	phase	phase	NOUN
eurjchem-2657	105	20	for	for	ADP
eurjchem-2657	105	21	the	the	DET
eurjchem-2657	105	22	benzyl	benzyl	NOUN
eurjchem-2657	105	23	group	group	NOUN
eurjchem-2657	105	24	of	of	ADP
eurjchem-2657	105	25	tpb	tpb	NOUN
eurjchem-2657	105	26	,	,	PUNCT
eurjchem-2657	105	27	and	and	CCONJ
eurjchem-2657	105	28	the	the	DET
eurjchem-2657	105	29	increasing	increase	VERB
eurjchem-2657	105	30	order	order	NOUN
eurjchem-2657	105	31	is	be	AUX
eurjchem-2657	105	32	the	the	DET
eurjchem-2657	105	33	gas	gas	NOUN
eurjchem-2657	105	34	phase	phase	NOUN
eurjchem-2657	105	35	(	(	PUNCT
eurjchem-2657	105	36	-0.003700	-0.003700	ADJ
eurjchem-2657	105	37	)	)	PUNCT
eurjchem-2657	105	38	<	<	X
eurjchem-2657	105	39	n	n	CCONJ
eurjchem-2657	105	40	-	-	PUNCT
eurjchem-2657	105	41	octanol	octanol	NOUN
eurjchem-2657	105	42	(	(	PUNCT
eurjchem-2657	105	43	0.00438	0.00438	NUM
eurjchem-2657	105	44	)	)	PUNCT
eurjchem-2657	105	45	>	>	X
eurjchem-2657	105	46	ethanol	ethanol	NOUN
eurjchem-2657	105	47	(	(	PUNCT
eurjchem-2657	105	48	-0.004301	-0.004301	PROPN
eurjchem-2657	105	49	)	)	PUNCT
eurjchem-2657	105	50	>	>	X
eurjchem-2657	106	1	water	water	NOUN
eurjchem-2657	106	2	(	(	PUNCT
eurjchem-2657	106	3	-0.004280	-0.004280	NOUN
eurjchem-2657	106	4	)	)	PUNCT
eurjchem-2657	106	5	and	and	CCONJ
eurjchem-2657	106	6	the	the	DET
eurjchem-2657	106	7	corresponding	corresponding	ADJ
eurjchem-2657	106	8	length	length	NOUN
eurjchem-2657	106	9	of	of	ADP
eurjchem-2657	106	10	the	the	DET
eurjchem-2657	106	11	10c-6c	10c-6c	NUM
eurjchem-2657	106	12	bond	bond	NOUN
eurjchem-2657	106	13	in	in	ADP
eurjchem-2657	106	14	the	the	DET
eurjchem-2657	106	15	gas	gas	NOUN
eurjchem-2657	106	16	,	,	PUNCT
eurjchem-2657	106	17	n	n	CCONJ
eurjchem-2657	106	18	-	-	PUNCT
eurjchem-2657	106	19	octanol	octanol	NOUN
eurjchem-2657	106	20	,	,	PUNCT
eurjchem-2657	106	21	ethanol	ethanol	NOUN
eurjchem-2657	106	22	,	,	PUNCT
eurjchem-2657	106	23	and	and	CCONJ
eurjchem-2657	106	24	water	water	NOUN
eurjchem-2657	106	25	phase	phase	NOUN
eurjchem-2657	106	26	are	be	AUX
eurjchem-2657	106	27	1.397282	1.397282	NUM
eurjchem-2657	106	28	,	,	PUNCT
eurjchem-2657	106	29	1.398007	1.398007	NUM
eurjchem-2657	106	30	,	,	PUNCT
eurjchem-2657	106	31	1.398100	1.398100	NUM
eurjchem-2657	106	32	,	,	PUNCT
eurjchem-2657	106	33	1.397982	1.397982	NUM
eurjchem-2657	106	34	å	å	NOUN
eurjchem-2657	106	35	,	,	PUNCT
eurjchem-2657	106	36	respectively	respectively	ADV
eurjchem-2657	106	37	(	(	PUNCT
eurjchem-2657	106	38	table	table	NOUN
eurjchem-2657	106	39	3	3	NUM
eurjchem-2657	106	40	)	)	PUNCT
eurjchem-2657	106	41	.	.	PUNCT
eurjchem-2657	107	1	the	the	DET
eurjchem-2657	107	2	ideal	ideal	ADJ
eurjchem-2657	107	3	bond	bond	NOUN
eurjchem-2657	107	4	length	length	NOUN
eurjchem-2657	107	5	of	of	ADP
eurjchem-2657	107	6	a	a	DET
eurjchem-2657	107	7	c	c	NOUN
eurjchem-2657	107	8	-	-	PUNCT
eurjchem-2657	107	9	c	c	NOUN
eurjchem-2657	107	10	bond	bond	NOUN
eurjchem-2657	107	11	in	in	ADP
eurjchem-2657	107	12	an	an	DET
eurjchem-2657	107	13	aromatic	aromatic	ADJ
eurjchem-2657	107	14	system	system	NOUN
eurjchem-2657	107	15	is	be	AUX
eurjchem-2657	107	16	generally	generally	ADV
eurjchem-2657	107	17	accepted	accept	VERB
eurjchem-2657	107	18	as	as	ADP
eurjchem-2657	107	19	1.388	1.388	NUM
eurjchem-2657	107	20	å	å	NOUN
eurjchem-2657	107	21	.	.	PUNCT
eurjchem-2657	108	1	a	a	DET
eurjchem-2657	108	2	significant	significant	ADJ
eurjchem-2657	108	3	deviation	deviation	NOUN
eurjchem-2657	108	4	from	from	ADP
eurjchem-2657	108	5	this	this	DET
eurjchem-2657	108	6	value	value	NOUN
eurjchem-2657	108	7	indicates	indicate	VERB
eurjchem-2657	108	8	a	a	DET
eurjchem-2657	108	9	disturbance	disturbance	NOUN
eurjchem-2657	108	10	in	in	ADP
eurjchem-2657	108	11	aromaticity	aromaticity	NOUN
eurjchem-2657	108	12	.	.	PUNCT
eurjchem-2657	109	1	the	the	DET
eurjchem-2657	109	2	bond	bond	NOUN
eurjchem-2657	109	3	lengths	length	NOUN
eurjchem-2657	109	4	of	of	ADP
eurjchem-2657	109	5	specific	specific	ADJ
eurjchem-2657	109	6	c	c	NOUN
eurjchem-2657	109	7	-	-	PUNCT
eurjchem-2657	109	8	c	c	NOUN
eurjchem-2657	109	9	pairs	pair	NOUN
eurjchem-2657	109	10	of	of	ADP
eurjchem-2657	109	11	10c-6c	10c-6c	NUM
eurjchem-2657	109	12	,	,	PUNCT
eurjchem-2657	109	13	6c-12c	6c-12c	NUM
eurjchem-2657	109	14	,	,	PUNCT
eurjchem-2657	109	15	12c-16c	12c-16c	NUM
eurjchem-2657	109	16	,	,	PUNCT
eurjchem-2657	109	17	16c14c	16c14c	NUM
eurjchem-2657	109	18	,	,	PUNCT
eurjchem-2657	109	19	14c-8c	14c-8c	NUM
eurjchem-2657	109	20	,	,	PUNCT
eurjchem-2657	109	21	and	and	CCONJ
eurjchem-2657	109	22	8c-10c	8c-10c	NUM
eurjchem-2657	109	23	are	be	AUX
eurjchem-2657	109	24	measured	measure	VERB
eurjchem-2657	109	25	as	as	ADP
eurjchem-2657	109	26	1.397282	1.397282	NUM
eurjchem-2657	109	27	å	å	PROPN
eurjchem-2657	109	28	,	,	PUNCT
eurjchem-2657	109	29	1.400536	1.400536	NUM
eurjchem-2657	109	30	å	å	NOUN
eurjchem-2657	109	31	,	,	PUNCT
eurjchem-2657	109	32	1.388405	1.388405	NUM
eurjchem-2657	109	33	å	å	NOUN
eurjchem-2657	109	34	,	,	PUNCT
eurjchem-2657	109	35	1.384306	1.384306	NUM
eurjchem-2657	109	36	å	å	PROPN
eurjchem-2657	109	37	,	,	PUNCT
eurjchem-2657	109	38	1.406015	1.406015	NUM
eurjchem-2657	109	39	å	å	NOUN
eurjchem-2657	109	40	,	,	PUNCT
eurjchem-2657	109	41	and	and	CCONJ
eurjchem-2657	109	42	1.401326	1.401326	NUM
eurjchem-2657	109	43	å	å	NOUN
eurjchem-2657	109	44	,	,	PUNCT
eurjchem-2657	109	45	respectively	respectively	ADV
eurjchem-2657	109	46	.	.	PUNCT
eurjchem-2657	110	1	among	among	ADP
eurjchem-2657	110	2	these	these	PRON
eurjchem-2657	110	3	,	,	PUNCT
eurjchem-2657	110	4	the	the	DET
eurjchem-2657	110	5	bond	bond	NOUN
eurjchem-2657	110	6	length	length	NOUN
eurjchem-2657	110	7	of	of	ADP
eurjchem-2657	110	8	14c-8c	14c-8c	NUM
eurjchem-2657	110	9	(	(	PUNCT
eurjchem-2657	110	10	1.406015	1.406015	NUM
eurjchem-2657	110	11	å	å	NOUN
eurjchem-2657	110	12	)	)	PUNCT
eurjchem-2657	110	13	deviates	deviate	VERB
eurjchem-2657	110	14	significantly	significantly	ADV
eurjchem-2657	110	15	,	,	PUNCT
eurjchem-2657	110	16	leading	lead	VERB
eurjchem-2657	110	17	to	to	ADP
eurjchem-2657	110	18	a	a	DET
eurjchem-2657	110	19	notable	notable	ADJ
eurjchem-2657	110	20	negative	negative	ADJ
eurjchem-2657	110	21	contribution	contribution	NOUN
eurjchem-2657	110	22	to	to	ADP
eurjchem-2657	110	23	the	the	DET
eurjchem-2657	110	24	harmonic	harmonic	ADJ
eurjchem-2657	110	25	oscillator	oscillator	NOUN
eurjchem-2657	110	26	model	model	NOUN
eurjchem-2657	110	27	of	of	ADP
eurjchem-2657	110	28	aromaticity	aromaticity	NOUN
eurjchem-2657	110	29	(	(	PUNCT
eurjchem-2657	110	30	homa	homa	NOUN
eurjchem-2657	110	31	)	)	PUNCT
eurjchem-2657	110	32	.	.	PUNCT
eurjchem-2657	111	1	specifically	specifically	ADV
eurjchem-2657	111	2	,	,	PUNCT
eurjchem-2657	111	3	in	in	ADP
eurjchem-2657	111	4	the	the	DET
eurjchem-2657	111	5	gas	gas	NOUN
eurjchem-2657	111	6	phase	phase	NOUN
eurjchem-2657	111	7	,	,	PUNCT
eurjchem-2657	111	8	this	this	DET
eurjchem-2657	111	9	bond	bond	NOUN
eurjchem-2657	111	10	contributes	contribute	VERB
eurjchem-2657	111	11	-0.013939	-0.013939	NOUN
eurjchem-2657	111	12	to	to	ADP
eurjchem-2657	111	13	the	the	DET
eurjchem-2657	111	14	disruption	disruption	NOUN
eurjchem-2657	111	15	of	of	ADP
eurjchem-2657	111	16	aromaticity	aromaticity	NOUN
eurjchem-2657	111	17	.	.	PUNCT
eurjchem-2657	112	1	however	however	ADV
eurjchem-2657	112	2	,	,	PUNCT
eurjchem-2657	112	3	as	as	SCONJ
eurjchem-2657	112	4	the	the	DET
eurjchem-2657	112	5	system	system	NOUN
eurjchem-2657	112	6	transitions	transition	NOUN
eurjchem-2657	112	7	from	from	ADP
eurjchem-2657	112	8	the	the	DET
eurjchem-2657	112	9	gas	gas	NOUN
eurjchem-2657	112	10	phase	phase	NOUN
eurjchem-2657	112	11	to	to	ADP
eurjchem-2657	112	12	the	the	DET
eurjchem-2657	112	13	solvent	solvent	ADJ
eurjchem-2657	112	14	phase	phase	NOUN
eurjchem-2657	112	15	,	,	PUNCT
eurjchem-2657	112	16	the	the	DET
eurjchem-2657	112	17	extent	extent	NOUN
eurjchem-2657	112	18	of	of	ADP
eurjchem-2657	112	19	this	this	DET
eurjchem-2657	112	20	disruption	disruption	NOUN
eurjchem-2657	112	21	decreases	decrease	VERB
eurjchem-2657	112	22	,	,	PUNCT
eurjchem-2657	112	23	as	as	SCONJ
eurjchem-2657	112	24	is	be	AUX
eurjchem-2657	112	25	evident	evident	ADJ
eurjchem-2657	112	26	from	from	ADP
eurjchem-2657	112	27	the	the	DET
eurjchem-2657	112	28	data	datum	NOUN
eurjchem-2657	112	29	given	give	VERB
eurjchem-2657	112	30	in	in	ADP
eurjchem-2657	112	31	tables	table	NOUN
eurjchem-2657	112	32	2	2	NUM
eurjchem-2657	112	33	and	and	CCONJ
eurjchem-2657	112	34	3	3	NUM
eurjchem-2657	112	35	.	.	NOUN
eurjchem-2657	112	36	270	270	NUM
eurjchem-2657	112	37	tosun	tosun	NOUN
eurjchem-2657	112	38	and	and	CCONJ
eurjchem-2657	112	39	kandemirli	kandemirli	ADJ
eurjchem-2657	112	40	/	/	SYM
eurjchem-2657	112	41	european	european	ADJ
eurjchem-2657	112	42	journal	journal	PROPN
eurjchem-2657	112	43	of	of	ADP
eurjchem-2657	112	44	chemistry	chemistry	NOUN
eurjchem-2657	112	45	16	16	NUM
eurjchem-2657	112	46	(	(	PUNCT
eurjchem-2657	112	47	3	3	NUM
eurjchem-2657	112	48	)	)	PUNCT
eurjchem-2657	112	49	(	(	PUNCT
eurjchem-2657	112	50	2025	2025	NUM
eurjchem-2657	112	51	)	)	PUNCT
eurjchem-2657	112	52	267	267	NUM
eurjchem-2657	112	53	-	-	SYM
eurjchem-2657	112	54	274	274	NUM
eurjchem-2657	112	55	2025	2025	NUM
eurjchem-2657	112	56	–	–	PUNCT
eurjchem-2657	112	57	european	european	ADJ
eurjchem-2657	112	58	journal	journal	NOUN
eurjchem-2657	112	59	of	of	ADP
eurjchem-2657	112	60	chemistry	chemistry	NOUN
eurjchem-2657	112	61	–	–	PUNCT
eurjchem-2657	112	62	cc	cc	NOUN
eurjchem-2657	112	63	by	by	ADP
eurjchem-2657	112	64	nc	nc	PROPN
eurjchem-2657	112	65	–	–	PUNCT
eurjchem-2657	112	66	doi	doi	NOUN
eurjchem-2657	112	67	:	:	PUNCT
eurjchem-2657	112	68	10.5155	10.5155	NUM
eurjchem-2657	112	69	/	/	SYM
eurjchem-2657	112	70	eurjchem.16.3.267	eurjchem.16.3.267	NUM
eurjchem-2657	112	71	-	-	PUNCT
eurjchem-2657	112	72	274.2657	274.2657	NUM
eurjchem-2657	112	73	table	table	NOUN
eurjchem-2657	112	74	4	4	NUM
eurjchem-2657	112	75	.	.	PUNCT
eurjchem-2657	113	1	contributions	contribution	NOUN
eurjchem-2657	113	2	of	of	ADP
eurjchem-2657	113	3	tpb	tpb	NOUN
eurjchem-2657	113	4	in	in	ADP
eurjchem-2657	113	5	gas	gas	NOUN
eurjchem-2657	113	6	,	,	PUNCT
eurjchem-2657	113	7	n	n	CCONJ
eurjchem-2657	113	8	-	-	PUNCT
eurjchem-2657	113	9	octanol	octanol	NOUN
eurjchem-2657	113	10	,	,	PUNCT
eurjchem-2657	113	11	ethanol	ethanol	NOUN
eurjchem-2657	113	12	,	,	PUNCT
eurjchem-2657	113	13	and	and	CCONJ
eurjchem-2657	113	14	water	water	NOUN
eurjchem-2657	113	15	media	medium	NOUN
eurjchem-2657	113	16	.	.	PUNCT
eurjchem-2657	114	1	atoms	atom	NOUN
eurjchem-2657	114	2	homo	homo	NOUN
eurjchem-2657	114	3	atoms	atom	NOUN
eurjchem-2657	114	4	lumo	lumo	NOUN
eurjchem-2657	114	5	gas	gas	NOUN
eurjchem-2657	114	6	n	n	CCONJ
eurjchem-2657	114	7	-	-	PUNCT
eurjchem-2657	114	8	octanol	octanol	NOUN
eurjchem-2657	114	9	ethanol	ethanol	NOUN
eurjchem-2657	114	10	water	water	NOUN
eurjchem-2657	114	11	gas	gas	NOUN
eurjchem-2657	114	12	n	n	CCONJ
eurjchem-2657	114	13	-	-	PUNCT
eurjchem-2657	114	14	octanol	octanol	NOUN
eurjchem-2657	114	15	ethanol	ethanol	NOUN
eurjchem-2657	114	16	water	water	NOUN
eurjchem-2657	114	17	n3	n3	NOUN
eurjchem-2657	114	18	6.02	6.02	NUM
eurjchem-2657	114	19	6.23	6.23	NUM
eurjchem-2657	114	20	6.28	6.28	NUM
eurjchem-2657	114	21	6.30	6.30	NUM
eurjchem-2657	114	22	n1	n1	NOUN
eurjchem-2657	114	23	7.72	7.72	NUM
eurjchem-2657	114	24	7.51	7.51	NUM
eurjchem-2657	114	25	7.46	7.46	NUM
eurjchem-2657	114	26	7.44	7.44	NUM
eurjchem-2657	115	1	n4	n4	PROPN
eurjchem-2657	115	2	6.02	6.02	NUM
eurjchem-2657	115	3	6.23	6.23	NUM
eurjchem-2657	115	4	6.28	6.28	NUM
eurjchem-2657	115	5	6.30	6.30	NUM
eurjchem-2657	115	6	n2	n2	NOUN
eurjchem-2657	115	7	7.72	7.72	NUM
eurjchem-2657	115	8	7.51	7.51	NUM
eurjchem-2657	115	9	7.46	7.46	NUM
eurjchem-2657	115	10	7.44	7.44	NUM
eurjchem-2657	115	11	c11	c11	NOUN
eurjchem-2657	115	12	7.96	7.96	NUM
eurjchem-2657	115	13	7.49	7.49	NUM
eurjchem-2657	115	14	7.32	7.32	NUM
eurjchem-2657	115	15	7.24	7.24	NUM
eurjchem-2657	115	16	c11	c11	NOUN
eurjchem-2657	115	17	4.31	4.31	NUM
eurjchem-2657	115	18	4.60	4.60	NUM
eurjchem-2657	115	19	4.65	4.65	NUM
eurjchem-2657	115	20	4.68	4.68	NUM
eurjchem-2657	115	21	c12	c12	NOUN
eurjchem-2657	115	22	8.91	8.91	NUM
eurjchem-2657	115	23	8.41	8.41	NUM
eurjchem-2657	115	24	8.24	8.24	NUM
eurjchem-2657	115	25	8.16	8.16	NUM
eurjchem-2657	115	26	c12	c12	PROPN
eurjchem-2657	115	27	4.31	4.31	NUM
eurjchem-2657	115	28	4.50	4.50	NUM
eurjchem-2657	115	29	4.61	4.61	NUM
eurjchem-2657	115	30	4.66	4.66	NUM
eurjchem-2657	115	31	c13	c13	NOUN
eurjchem-2657	115	32	8.91	8.91	NUM
eurjchem-2657	115	33	8.41	8.41	NUM
eurjchem-2657	115	34	8.24	8.24	NUM
eurjchem-2657	115	35	8.16	8.16	NUM
eurjchem-2657	115	36	c13	c13	PROPN
eurjchem-2657	115	37	4.31	4.31	NUM
eurjchem-2657	115	38	4.60	4.60	NUM
eurjchem-2657	115	39	4.61	4.61	NUM
eurjchem-2657	115	40	4.66	4.66	NUM
eurjchem-2657	115	41	c14	c14	NOUN
eurjchem-2657	115	42	7.96	7.96	NUM
eurjchem-2657	115	43	7.49	7.49	NUM
eurjchem-2657	115	44	7.32	7.32	NUM
eurjchem-2657	115	45	7.24	7.24	NUM
eurjchem-2657	115	46	c14	c14	NOUN
eurjchem-2657	115	47	4.31	4.31	NUM
eurjchem-2657	115	48	4.60	4.60	NUM
eurjchem-2657	115	49	4.65	4.65	NUM
eurjchem-2657	115	50	4.68	4.68	NUM
eurjchem-2657	115	51	n33	n33	NUM
eurjchem-2657	115	52	8.22	8.22	NUM
eurjchem-2657	115	53	8.35	8.35	NUM
eurjchem-2657	115	54	8.46	8.46	NUM
eurjchem-2657	115	55	8.50	8.50	NUM
eurjchem-2657	115	56	c18	c18	NOUN
eurjchem-2657	115	57	4.82	4.82	NUM
eurjchem-2657	115	58	4.90	4.90	NUM
eurjchem-2657	115	59	4.79	4.79	NUM
eurjchem-2657	115	60	4.75	4.75	NUM
eurjchem-2657	115	61	n35	n35	NUM
eurjchem-2657	115	62	4.00	4.00	NUM
eurjchem-2657	115	63	4.22	4.22	NUM
eurjchem-2657	115	64	4.25	4.25	NUM
eurjchem-2657	115	65	4.27	4.27	NUM
eurjchem-2657	115	66	c19	c19	NOUN
eurjchem-2657	115	67	4.82	4.82	NUM
eurjchem-2657	115	68	4.90	4.90	NUM
eurjchem-2657	115	69	4.79	4.79	NUM
eurjchem-2657	115	70	4.75	4.75	NUM
eurjchem-2657	115	71	n37	n37	NOUN
eurjchem-2657	115	72	4.00	4.00	NUM
eurjchem-2657	115	73	4.22	4.22	NUM
eurjchem-2657	115	74	4.25	4.25	NUM
eurjchem-2657	115	75	4.27	4.27	NUM
eurjchem-2657	115	76	c21	c21	NOUN
eurjchem-2657	115	77	12.93	12.93	NUM
eurjchem-2657	115	78	12.49	12.49	NUM
eurjchem-2657	115	79	12.33	12.33	NUM
eurjchem-2657	115	80	12.26	12.26	NUM
eurjchem-2657	115	81	n39	n39	NOUN
eurjchem-2657	115	82	8.22	8.22	NUM
eurjchem-2657	115	83	8.36	8.36	NUM
eurjchem-2657	115	84	8.46	8.46	NUM
eurjchem-2657	115	85	8.51	8.51	NUM
eurjchem-2657	115	86	c22	c22	NOUN
eurjchem-2657	115	87	12.93	12.93	NUM
eurjchem-2657	115	88	12.49	12.49	NUM
eurjchem-2657	115	89	12.33	12.33	NUM
eurjchem-2657	115	90	12.26	12.26	NUM
eurjchem-2657	115	91	c41	c41	NOUN
eurjchem-2657	115	92	8.29	8.29	NUM
eurjchem-2657	115	93	8.60	8.60	NUM
eurjchem-2657	115	94	8.71	8.71	NUM
eurjchem-2657	115	95	8.76	8.76	NUM
eurjchem-2657	115	96	c43	c43	PROPN
eurjchem-2657	115	97	8.29	8.29	NUM
eurjchem-2657	115	98	8.60	8.60	NUM
eurjchem-2657	115	99	8.71	8.71	NUM
eurjchem-2657	115	100	8.76	8.76	NUM
eurjchem-2657	115	101	table	table	NOUN
eurjchem-2657	115	102	5	5	NUM
eurjchem-2657	115	103	.	.	PUNCT
eurjchem-2657	115	104	homo	homo	NOUN
eurjchem-2657	115	105	,	,	PUNCT
eurjchem-2657	115	106	lumo	lumo	NOUN
eurjchem-2657	115	107	,	,	PUNCT
eurjchem-2657	115	108	and	and	CCONJ
eurjchem-2657	115	109	band	band	NOUN
eurjchem-2657	115	110	gap	gap	NOUN
eurjchem-2657	115	111	energies	energy	NOUN
eurjchem-2657	115	112	of	of	ADP
eurjchem-2657	115	113	tpb	tpb	NOUN
eurjchem-2657	115	114	.	.	PROPN
eurjchem-2657	115	115	phase	phase	NOUN
eurjchem-2657	115	116	ehomo	ehomo	ADJ
eurjchem-2657	115	117	elumo	elumo	ADJ
eurjchem-2657	115	118	∆egap	∆egap	NUM
eurjchem-2657	115	119	gas	gas	NOUN
eurjchem-2657	115	120	-5.470721	-5.470721	PROPN
eurjchem-2657	115	121	-0.921862	-0.921862	X
eurjchem-2657	115	122	4.548860	4.548860	NUM
eurjchem-2657	115	123	n	n	CCONJ
eurjchem-2657	115	124	-	-	PUNCT
eurjchem-2657	115	125	octanol	octanol	NOUN
eurjchem-2657	115	126	-5.619304	-5.619304	NOUN
eurjchem-2657	115	127	-1.034047	-1.034047	NOUN
eurjchem-2657	116	1	4.585257	4.585257	NUM
eurjchem-2657	116	2	ethanol	ethanol	NOUN
eurjchem-2657	116	3	-5.655359	-5.655359	NOUN
eurjchem-2657	116	4	-1.053353	-1.053353	NOUN
eurjchem-2657	116	5	4.602005	4.602005	NUM
eurjchem-2657	116	6	water	water	NOUN
eurjchem-2657	116	7	-5.673701	-5.673701	NOUN
eurjchem-2657	116	8	-1.064142	-1.064142	VERB
eurjchem-2657	117	1	4.609560	4.609560	NUM
eurjchem-2657	117	2	(	(	PUNCT
eurjchem-2657	117	3	a	a	PRON
eurjchem-2657	117	4	)	)	PUNCT
eurjchem-2657	117	5	homo	homo	NOUN
eurjchem-2657	117	6	(	(	PUNCT
eurjchem-2657	117	7	b	b	NOUN
eurjchem-2657	117	8	)	)	PUNCT
eurjchem-2657	117	9	lumo	lumo	ADJ
eurjchem-2657	117	10	figure	figure	NOUN
eurjchem-2657	117	11	2	2	NUM
eurjchem-2657	117	12	.	.	PUNCT
eurjchem-2657	117	13	homo	homo	NOUN
eurjchem-2657	117	14	and	and	CCONJ
eurjchem-2657	117	15	lumo	lumo	NOUN
eurjchem-2657	117	16	for	for	ADP
eurjchem-2657	117	17	tpb	tpb	NOUN
eurjchem-2657	117	18	.	.	PUNCT
eurjchem-2657	118	1	the	the	DET
eurjchem-2657	118	2	homo	homo	NOUN
eurjchem-2657	118	3	and	and	CCONJ
eurjchem-2657	118	4	lomo	lomo	NOUN
eurjchem-2657	118	5	schemes	scheme	NOUN
eurjchem-2657	118	6	for	for	ADP
eurjchem-2657	118	7	in	in	ADP
eurjchem-2657	118	8	the	the	DET
eurjchem-2657	118	9	gas	gas	NOUN
eurjchem-2657	118	10	phase	phase	NOUN
eurjchem-2657	118	11	for	for	ADP
eurjchem-2657	118	12	tpb	tpb	NOUN
eurjchem-2657	118	13	are	be	AUX
eurjchem-2657	118	14	given	give	VERB
eurjchem-2657	118	15	in	in	ADP
eurjchem-2657	118	16	figure	figure	NOUN
eurjchem-2657	118	17	2	2	NUM
eurjchem-2657	118	18	.	.	PUNCT
eurjchem-2657	118	19	atom	atom	NOUN
eurjchem-2657	118	20	contributions	contribution	NOUN
eurjchem-2657	118	21	greater	great	ADJ
eurjchem-2657	118	22	than	than	ADP
eurjchem-2657	118	23	4	4	NUM
eurjchem-2657	118	24	%	%	NOUN
eurjchem-2657	118	25	to	to	ADP
eurjchem-2657	118	26	homo	homo	NOUN
eurjchem-2657	118	27	and	and	CCONJ
eurjchem-2657	118	28	lumo	lumo	NOUN
eurjchem-2657	118	29	in	in	ADP
eurjchem-2657	118	30	gas	gas	NOUN
eurjchem-2657	118	31	,	,	PUNCT
eurjchem-2657	118	32	n	n	CCONJ
eurjchem-2657	118	33	-	-	PUNCT
eurjchem-2657	118	34	octanol	octanol	NOUN
eurjchem-2657	118	35	,	,	PUNCT
eurjchem-2657	118	36	ethanol	ethanol	NOUN
eurjchem-2657	118	37	and	and	CCONJ
eurjchem-2657	118	38	water	water	NOUN
eurjchem-2657	118	39	media	medium	NOUN
eurjchem-2657	118	40	are	be	AUX
eurjchem-2657	118	41	given	give	VERB
eurjchem-2657	118	42	in	in	ADP
eurjchem-2657	118	43	table	table	NOUN
eurjchem-2657	118	44	4	4	NUM
eurjchem-2657	118	45	.	.	PUNCT
eurjchem-2657	119	1	the	the	DET
eurjchem-2657	119	2	contribution	contribution	NOUN
eurjchem-2657	119	3	of	of	ADP
eurjchem-2657	119	4	atomic	atomic	ADJ
eurjchem-2657	119	5	orbitals	orbital	NOUN
eurjchem-2657	119	6	to	to	ADP
eurjchem-2657	119	7	homo	homo	NOUN
eurjchem-2657	119	8	expresses	express	VERB
eurjchem-2657	119	9	how	how	SCONJ
eurjchem-2657	119	10	much	much	ADJ
eurjchem-2657	119	11	each	each	DET
eurjchem-2657	119	12	atom	atom	NOUN
eurjchem-2657	119	13	in	in	ADP
eurjchem-2657	119	14	a	a	DET
eurjchem-2657	119	15	molecule	molecule	NOUN
eurjchem-2657	119	16	contributes	contribute	VERB
eurjchem-2657	119	17	to	to	ADP
eurjchem-2657	119	18	the	the	DET
eurjchem-2657	119	19	electronic	electronic	ADJ
eurjchem-2657	119	20	structure	structure	NOUN
eurjchem-2657	119	21	of	of	ADP
eurjchem-2657	119	22	homo	homo	NOUN
eurjchem-2657	119	23	,	,	PUNCT
eurjchem-2657	119	24	while	while	SCONJ
eurjchem-2657	119	25	the	the	DET
eurjchem-2657	119	26	contribution	contribution	NOUN
eurjchem-2657	119	27	to	to	ADP
eurjchem-2657	119	28	lumo	lumo	NOUN
eurjchem-2657	119	29	expresses	express	VERB
eurjchem-2657	119	30	how	how	SCONJ
eurjchem-2657	119	31	much	much	ADJ
eurjchem-2657	119	32	each	each	DET
eurjchem-2657	119	33	atom	atom	NOUN
eurjchem-2657	119	34	in	in	ADP
eurjchem-2657	119	35	a	a	DET
eurjchem-2657	119	36	molecule	molecule	NOUN
eurjchem-2657	119	37	contributes	contribute	VERB
eurjchem-2657	119	38	to	to	ADP
eurjchem-2657	119	39	the	the	DET
eurjchem-2657	119	40	electronic	electronic	ADJ
eurjchem-2657	119	41	structure	structure	NOUN
eurjchem-2657	119	42	of	of	ADP
eurjchem-2657	119	43	lumo	lumo	NOUN
eurjchem-2657	119	44	.	.	PUNCT
eurjchem-2657	120	1	homo	homo	NOUN
eurjchem-2657	120	2	is	be	AUX
eurjchem-2657	120	3	a	a	DET
eurjchem-2657	120	4	high	high	ADJ
eurjchem-2657	120	5	-	-	PUNCT
eurjchem-2657	120	6	energy	energy	NOUN
eurjchem-2657	120	7	molecular	molecular	ADJ
eurjchem-2657	120	8	orbital	orbital	NOUN
eurjchem-2657	120	9	filled	fill	VERB
eurjchem-2657	120	10	with	with	ADP
eurjchem-2657	120	11	electrons	electron	NOUN
eurjchem-2657	120	12	and	and	CCONJ
eurjchem-2657	120	13	plays	play	VERB
eurjchem-2657	120	14	an	an	DET
eurjchem-2657	120	15	important	important	ADJ
eurjchem-2657	120	16	role	role	NOUN
eurjchem-2657	120	17	in	in	ADP
eurjchem-2657	120	18	chemical	chemical	ADJ
eurjchem-2657	120	19	reactions	reaction	NOUN
eurjchem-2657	120	20	,	,	PUNCT
eurjchem-2657	120	21	ionization	ionization	NOUN
eurjchem-2657	120	22	,	,	PUNCT
eurjchem-2657	120	23	and	and	CCONJ
eurjchem-2657	120	24	electronic	electronic	ADJ
eurjchem-2657	120	25	transitions	transition	NOUN
eurjchem-2657	120	26	.	.	PUNCT
eurjchem-2657	121	1	the	the	DET
eurjchem-2657	121	2	contributions	contribution	NOUN
eurjchem-2657	121	3	of	of	ADP
eurjchem-2657	121	4	n4	n4	PROPN
eurjchem-2657	121	5	and	and	CCONJ
eurjchem-2657	121	6	c43	c43	PROPN
eurjchem-2657	121	7	atoms	atom	NOUN
eurjchem-2657	121	8	from	from	ADP
eurjchem-2657	121	9	ring	ring	NOUN
eurjchem-2657	121	10	a	a	PRON
eurjchem-2657	121	11	,	,	PUNCT
eurjchem-2657	121	12	as	as	ADV
eurjchem-2657	121	13	well	well	ADV
eurjchem-2657	121	14	as	as	ADP
eurjchem-2657	121	15	n3	n3	NOUN
eurjchem-2657	121	16	and	and	CCONJ
eurjchem-2657	121	17	c41	c41	NOUN
eurjchem-2657	121	18	atoms	atom	NOUN
eurjchem-2657	121	19	from	from	ADP
eurjchem-2657	121	20	ring	ring	NOUN
eurjchem-2657	121	21	c	c	NOUN
eurjchem-2657	121	22	,	,	PUNCT
eurjchem-2657	121	23	to	to	ADP
eurjchem-2657	121	24	the	the	DET
eurjchem-2657	121	25	homo	homo	NOUN
eurjchem-2657	121	26	are	be	AUX
eurjchem-2657	121	27	equal	equal	ADJ
eurjchem-2657	121	28	,	,	PUNCT
eurjchem-2657	121	29	with	with	ADP
eurjchem-2657	121	30	values	value	NOUN
eurjchem-2657	121	31	of	of	ADP
eurjchem-2657	121	32	6.02	6.02	NUM
eurjchem-2657	121	33	and	and	CCONJ
eurjchem-2657	121	34	8.29	8.29	NUM
eurjchem-2657	121	35	,	,	PUNCT
eurjchem-2657	121	36	respectively	respectively	ADV
eurjchem-2657	121	37	.	.	PUNCT
eurjchem-2657	122	1	similarly	similarly	ADV
eurjchem-2657	122	2	,	,	PUNCT
eurjchem-2657	122	3	the	the	DET
eurjchem-2657	122	4	contributions	contribution	NOUN
eurjchem-2657	122	5	of	of	ADP
eurjchem-2657	122	6	c12	c12	PROPN
eurjchem-2657	122	7	and	and	CCONJ
eurjchem-2657	122	8	c14	c14	NOUN
eurjchem-2657	122	9	from	from	ADP
eurjchem-2657	122	10	ring	ring	PROPN
eurjchem-2657	122	11	b	b	PROPN
eurjchem-2657	122	12	,	,	PUNCT
eurjchem-2657	122	13	along	along	ADP
eurjchem-2657	122	14	with	with	ADP
eurjchem-2657	122	15	c11	c11	NOUN
eurjchem-2657	122	16	and	and	CCONJ
eurjchem-2657	122	17	c13	c13	NOUN
eurjchem-2657	122	18	from	from	ADP
eurjchem-2657	122	19	ring	ring	PROPN
eurjchem-2657	122	20	d	d	PROPN
eurjchem-2657	122	21	,	,	PUNCT
eurjchem-2657	122	22	to	to	ADP
eurjchem-2657	122	23	the	the	DET
eurjchem-2657	122	24	homo	homo	NOUN
eurjchem-2657	122	25	are	be	AUX
eurjchem-2657	122	26	also	also	ADV
eurjchem-2657	122	27	equal	equal	ADJ
eurjchem-2657	122	28	,	,	PUNCT
eurjchem-2657	122	29	with	with	ADP
eurjchem-2657	122	30	values	value	NOUN
eurjchem-2657	122	31	of	of	ADP
eurjchem-2657	122	32	7.96	7.96	NUM
eurjchem-2657	122	33	and	and	CCONJ
eurjchem-2657	122	34	8.91	8.91	NUM
eurjchem-2657	122	35	.	.	PUNCT
eurjchem-2657	123	1	the	the	DET
eurjchem-2657	123	2	contributions	contribution	NOUN
eurjchem-2657	123	3	of	of	ADP
eurjchem-2657	123	4	the	the	DET
eurjchem-2657	123	5	n33	n33	PROPN
eurjchem-2657	123	6	,	,	PUNCT
eurjchem-2657	123	7	n37	n37	NOUN
eurjchem-2657	123	8	,	,	PUNCT
eurjchem-2657	123	9	n35	n35	NUM
eurjchem-2657	123	10	and	and	CCONJ
eurjchem-2657	123	11	n39	n39	PROPN
eurjchem-2657	123	12	atoms	atom	NOUN
eurjchem-2657	123	13	from	from	ADP
eurjchem-2657	123	14	ring	re	VERB
eurjchem-2657	123	15	a	a	PRON
eurjchem-2657	123	16	to	to	ADP
eurjchem-2657	123	17	the	the	DET
eurjchem-2657	123	18	homo	homo	NOUN
eurjchem-2657	123	19	are	be	AUX
eurjchem-2657	123	20	4.00	4.00	NUM
eurjchem-2657	123	21	,	,	PUNCT
eurjchem-2657	123	22	8.22	8.22	NUM
eurjchem-2657	123	23	,	,	PUNCT
eurjchem-2657	123	24	4.00	4.00	NUM
eurjchem-2657	123	25	,	,	PUNCT
eurjchem-2657	123	26	and	and	CCONJ
eurjchem-2657	123	27	8.22	8.22	NUM
eurjchem-2657	123	28	,	,	PUNCT
eurjchem-2657	123	29	respectively	respectively	ADV
eurjchem-2657	123	30	.	.	PUNCT
eurjchem-2657	124	1	the	the	DET
eurjchem-2657	124	2	contributions	contribution	NOUN
eurjchem-2657	124	3	of	of	ADP
eurjchem-2657	124	4	n3	n3	NOUN
eurjchem-2657	124	5	,	,	PUNCT
eurjchem-2657	124	6	n4	n4	PROPN
eurjchem-2657	124	7	,	,	PUNCT
eurjchem-2657	124	8	n33	n33	PROPN
eurjchem-2657	124	9	,	,	PUNCT
eurjchem-2657	124	10	n35	n35	PROPN
eurjchem-2657	124	11	,	,	PUNCT
eurjchem-2657	124	12	n39	n39	PROPN
eurjchem-2657	124	13	,	,	PUNCT
eurjchem-2657	124	14	c41	c41	PROPN
eurjchem-2657	124	15	,	,	PUNCT
eurjchem-2657	124	16	and	and	CCONJ
eurjchem-2657	124	17	c43	c43	NOUN
eurjchem-2657	124	18	atoms	atom	NOUN
eurjchem-2657	124	19	in	in	ADP
eurjchem-2657	124	20	rings	ring	NOUN
eurjchem-2657	124	21	a	a	PRON
eurjchem-2657	124	22	and	and	CCONJ
eurjchem-2657	124	23	c	c	NOUN
eurjchem-2657	124	24	to	to	PART
eurjchem-2657	124	25	homo	homo	NOUN
eurjchem-2657	124	26	increased	increase	VERB
eurjchem-2657	124	27	with	with	ADP
eurjchem-2657	124	28	the	the	DET
eurjchem-2657	124	29	increase	increase	NOUN
eurjchem-2657	124	30	of	of	ADP
eurjchem-2657	124	31	the	the	DET
eurjchem-2657	124	32	electric	electric	ADJ
eurjchem-2657	124	33	constant	constant	NOUN
eurjchem-2657	124	34	of	of	ADP
eurjchem-2657	124	35	the	the	DET
eurjchem-2657	124	36	solvents	solvent	NOUN
eurjchem-2657	124	37	,	,	PUNCT
eurjchem-2657	124	38	while	while	SCONJ
eurjchem-2657	124	39	the	the	DET
eurjchem-2657	124	40	contributions	contribution	NOUN
eurjchem-2657	124	41	of	of	ADP
eurjchem-2657	124	42	atoms	atom	NOUN
eurjchem-2657	124	43	(	(	PUNCT
eurjchem-2657	124	44	c11	c11	NOUN
eurjchem-2657	124	45	,	,	PUNCT
eurjchem-2657	124	46	c12	c12	PROPN
eurjchem-2657	124	47	,	,	PUNCT
eurjchem-2657	124	48	c13	c13	PROPN
eurjchem-2657	124	49	,	,	PUNCT
eurjchem-2657	124	50	c14	c14	NOUN
eurjchem-2657	124	51	)	)	PUNCT
eurjchem-2657	124	52	in	in	ADP
eurjchem-2657	124	53	rings	ring	NOUN
eurjchem-2657	124	54	b	b	PROPN
eurjchem-2657	124	55	and	and	CCONJ
eurjchem-2657	124	56	d	d	NOUN
eurjchem-2657	124	57	to	to	ADP
eurjchem-2657	124	58	homo	homo	NOUN
eurjchem-2657	124	59	decreased	decrease	VERB
eurjchem-2657	124	60	with	with	ADP
eurjchem-2657	124	61	the	the	DET
eurjchem-2657	124	62	increase	increase	NOUN
eurjchem-2657	124	63	of	of	ADP
eurjchem-2657	124	64	the	the	DET
eurjchem-2657	124	65	electric	electric	ADJ
eurjchem-2657	124	66	constant	constant	ADJ
eurjchem-2657	124	67	.	.	PUNCT
eurjchem-2657	125	1	the	the	DET
eurjchem-2657	125	2	increase	increase	NOUN
eurjchem-2657	125	3	in	in	ADP
eurjchem-2657	125	4	the	the	DET
eurjchem-2657	125	5	contributions	contribution	NOUN
eurjchem-2657	125	6	of	of	ADP
eurjchem-2657	125	7	n3	n3	NOUN
eurjchem-2657	125	8	,	,	PUNCT
eurjchem-2657	125	9	n4	n4	PROPN
eurjchem-2657	125	10	,	,	PUNCT
eurjchem-2657	125	11	n33	n33	PROPN
eurjchem-2657	125	12	,	,	PUNCT
eurjchem-2657	125	13	n35	n35	NUM
eurjchem-2657	125	14	,	,	PUNCT
eurjchem-2657	125	15	n37	n37	NOUN
eurjchem-2657	125	16	,	,	PUNCT
eurjchem-2657	125	17	n39	n39	PROPN
eurjchem-2657	125	18	,	,	PUNCT
eurjchem-2657	125	19	c41	c41	PROPN
eurjchem-2657	125	20	,	,	PUNCT
eurjchem-2657	125	21	and	and	CCONJ
eurjchem-2657	125	22	c43	c43	NOUN
eurjchem-2657	125	23	atoms	atom	NOUN
eurjchem-2657	125	24	to	to	ADP
eurjchem-2657	125	25	the	the	DET
eurjchem-2657	125	26	homo	homo	NOUN
eurjchem-2657	125	27	suggests	suggest	VERB
eurjchem-2657	125	28	that	that	SCONJ
eurjchem-2657	125	29	the	the	DET
eurjchem-2657	125	30	mentioned	mention	VERB
eurjchem-2657	125	31	atoms	atom	NOUN
eurjchem-2657	125	32	are	be	AUX
eurjchem-2657	125	33	more	more	ADV
eurjchem-2657	125	34	involved	involved	ADJ
eurjchem-2657	125	35	in	in	ADP
eurjchem-2657	125	36	the	the	DET
eurjchem-2657	125	37	frontier	frontier	NOUN
eurjchem-2657	125	38	molecular	molecular	ADJ
eurjchem-2657	125	39	orbitals	orbital	NOUN
eurjchem-2657	125	40	in	in	ADP
eurjchem-2657	125	41	polar	polar	ADJ
eurjchem-2657	125	42	solvents	solvent	NOUN
eurjchem-2657	125	43	.	.	PUNCT
eurjchem-2657	126	1	the	the	DET
eurjchem-2657	126	2	contributions	contribution	NOUN
eurjchem-2657	126	3	of	of	ADP
eurjchem-2657	126	4	n1	n1	NOUN
eurjchem-2657	126	5	,	,	PUNCT
eurjchem-2657	126	6	c21	c21	NOUN
eurjchem-2657	126	7	,	,	PUNCT
eurjchem-2657	126	8	and	and	CCONJ
eurjchem-2657	126	9	c18	c18	NOUN
eurjchem-2657	126	10	atoms	atom	NOUN
eurjchem-2657	126	11	belonging	belong	VERB
eurjchem-2657	126	12	to	to	ADP
eurjchem-2657	126	13	the	the	DET
eurjchem-2657	126	14	a	a	DET
eurjchem-2657	126	15	ring	ring	NOUN
eurjchem-2657	126	16	and	and	CCONJ
eurjchem-2657	126	17	n2	n2	NOUN
eurjchem-2657	126	18	,	,	PUNCT
eurjchem-2657	126	19	c22	c22	NOUN
eurjchem-2657	126	20	,	,	PUNCT
eurjchem-2657	126	21	and	and	CCONJ
eurjchem-2657	126	22	c19	c19	NOUN
eurjchem-2657	126	23	atoms	atom	NOUN
eurjchem-2657	126	24	belonging	belong	VERB
eurjchem-2657	126	25	to	to	ADP
eurjchem-2657	126	26	the	the	DET
eurjchem-2657	126	27	c	c	PROPN
eurjchem-2657	126	28	ring	ring	NOUN
eurjchem-2657	126	29	to	to	ADP
eurjchem-2657	126	30	lumo	lumo	NOUN
eurjchem-2657	126	31	are	be	AUX
eurjchem-2657	126	32	the	the	DET
eurjchem-2657	126	33	same	same	ADJ
eurjchem-2657	126	34	,	,	PUNCT
eurjchem-2657	126	35	with	with	ADP
eurjchem-2657	126	36	values	value	NOUN
eurjchem-2657	126	37	of	of	ADP
eurjchem-2657	126	38	7.72	7.72	NUM
eurjchem-2657	126	39	,	,	PUNCT
eurjchem-2657	126	40	12.93	12.93	NUM
eurjchem-2657	126	41	,	,	PUNCT
eurjchem-2657	126	42	and	and	CCONJ
eurjchem-2657	126	43	4.82	4.82	NUM
eurjchem-2657	126	44	,	,	PUNCT
eurjchem-2657	126	45	respectively	respectively	ADV
eurjchem-2657	126	46	.	.	PUNCT
eurjchem-2657	127	1	the	the	DET
eurjchem-2657	127	2	contributions	contribution	NOUN
eurjchem-2657	127	3	of	of	ADP
eurjchem-2657	127	4	c12	c12	PROPN
eurjchem-2657	127	5	and	and	CCONJ
eurjchem-2657	127	6	c14	c14	NOUN
eurjchem-2657	127	7	atoms	atom	NOUN
eurjchem-2657	127	8	belonging	belong	VERB
eurjchem-2657	127	9	to	to	ADP
eurjchem-2657	127	10	the	the	DET
eurjchem-2657	127	11	b	b	PROPN
eurjchem-2657	127	12	ring	ring	NOUN
eurjchem-2657	127	13	and	and	CCONJ
eurjchem-2657	127	14	c22	c22	NOUN
eurjchem-2657	127	15	and	and	CCONJ
eurjchem-2657	127	16	c19	c19	NOUN
eurjchem-2657	127	17	atoms	atom	NOUN
eurjchem-2657	127	18	belonging	belong	VERB
eurjchem-2657	127	19	to	to	ADP
eurjchem-2657	127	20	the	the	DET
eurjchem-2657	127	21	d	d	PROPN
eurjchem-2657	127	22	ring	ring	NOUN
eurjchem-2657	127	23	to	to	ADP
eurjchem-2657	127	24	lumo	lumo	NOUN
eurjchem-2657	127	25	are	be	AUX
eurjchem-2657	127	26	identical	identical	ADJ
eurjchem-2657	127	27	and	and	CCONJ
eurjchem-2657	127	28	4.31	4.31	NUM
eurjchem-2657	127	29	,	,	PUNCT
eurjchem-2657	127	30	4.31	4.31	NUM
eurjchem-2657	127	31	.	.	PUNCT
eurjchem-2657	128	1	the	the	DET
eurjchem-2657	128	2	contribution	contribution	NOUN
eurjchem-2657	128	3	of	of	ADP
eurjchem-2657	128	4	n1	n1	NOUN
eurjchem-2657	128	5	,	,	PUNCT
eurjchem-2657	128	6	c21	c21	NOUN
eurjchem-2657	128	7	,	,	PUNCT
eurjchem-2657	128	8	n2	n2	NOUN
eurjchem-2657	128	9	and	and	CCONJ
eurjchem-2657	128	10	c22	c22	NOUN
eurjchem-2657	128	11	atoms	atom	NOUN
eurjchem-2657	128	12	belonging	belong	VERB
eurjchem-2657	128	13	to	to	ADP
eurjchem-2657	128	14	the	the	DET
eurjchem-2657	128	15	a	a	NOUN
eurjchem-2657	128	16	and	and	CCONJ
eurjchem-2657	128	17	c	c	NOUN
eurjchem-2657	128	18	rings	ring	NOUN
eurjchem-2657	128	19	to	to	PART
eurjchem-2657	128	20	lumo	lumo	PROPN
eurjchem-2657	128	21	decreased	decrease	VERB
eurjchem-2657	128	22	with	with	ADP
eurjchem-2657	128	23	increasing	increase	VERB
eurjchem-2657	128	24	dielectric	dielectric	ADJ
eurjchem-2657	128	25	constant	constant	ADJ
eurjchem-2657	128	26	of	of	ADP
eurjchem-2657	128	27	the	the	DET
eurjchem-2657	128	28	solvent	solvent	NOUN
eurjchem-2657	128	29	,	,	PUNCT
eurjchem-2657	128	30	in	in	ADP
eurjchem-2657	128	31	contrast	contrast	NOUN
eurjchem-2657	128	32	,	,	PUNCT
eurjchem-2657	128	33	the	the	DET
eurjchem-2657	128	34	contribution	contribution	NOUN
eurjchem-2657	128	35	of	of	ADP
eurjchem-2657	128	36	c18	c18	NOUN
eurjchem-2657	128	37	and	and	CCONJ
eurjchem-2657	128	38	c19	c19	NOUN
eurjchem-2657	128	39	,	,	PUNCT
eurjchem-2657	128	40	atoms	atom	NOUN
eurjchem-2657	128	41	belonging	belong	VERB
eurjchem-2657	128	42	to	to	ADP
eurjchem-2657	128	43	the	the	DET
eurjchem-2657	128	44	a	a	NOUN
eurjchem-2657	128	45	and	and	CCONJ
eurjchem-2657	128	46	c	c	NOUN
eurjchem-2657	128	47	rings	ring	NOUN
eurjchem-2657	128	48	to	to	PART
eurjchem-2657	128	49	lumo	lumo	NOUN
eurjchem-2657	128	50	increased	increase	VERB
eurjchem-2657	128	51	only	only	ADV
eurjchem-2657	128	52	in	in	ADP
eurjchem-2657	128	53	the	the	DET
eurjchem-2657	128	54	n	n	CCONJ
eurjchem-2657	128	55	-	-	PUNCT
eurjchem-2657	128	56	octanol	octanol	NOUN
eurjchem-2657	128	57	solvent	solvent	NOUN
eurjchem-2657	128	58	.	.	PUNCT
eurjchem-2657	129	1	electronic	electronic	ADJ
eurjchem-2657	129	2	characteristics	characteristic	NOUN
eurjchem-2657	129	3	such	such	ADJ
eurjchem-2657	129	4	as	as	ADP
eurjchem-2657	129	5	the	the	DET
eurjchem-2657	129	6	homo	homo	NOUN
eurjchem-2657	129	7	energy	energy	NOUN
eurjchem-2657	129	8	(	(	PUNCT
eurjchem-2657	129	9	ehomo	ehomo	ADJ
eurjchem-2657	129	10	)	)	PUNCT
eurjchem-2657	129	11	and	and	CCONJ
eurjchem-2657	129	12	the	the	DET
eurjchem-2657	129	13	lumo	lumo	NOUN
eurjchem-2657	129	14	energy	energy	NOUN
eurjchem-2657	129	15	(	(	PUNCT
eurjchem-2657	129	16	elumo	elumo	ADJ
eurjchem-2657	129	17	)	)	PUNCT
eurjchem-2657	129	18	and	and	CCONJ
eurjchem-2657	129	19	the	the	DET
eurjchem-2657	129	20	tpb	tpb	NOUN
eurjchem-2657	129	21	energy	energy	NOUN
eurjchem-2657	129	22	gap	gap	NOUN
eurjchem-2657	129	23	in	in	ADP
eurjchem-2657	129	24	the	the	DET
eurjchem-2657	129	25	gas	gas	NOUN
eurjchem-2657	129	26	and	and	CCONJ
eurjchem-2657	129	27	n	n	CCONJ
eurjchem-2657	129	28	-	-	PUNCT
eurjchem-2657	129	29	octanol	octanol	NOUN
eurjchem-2657	129	30	,	,	PUNCT
eurjchem-2657	129	31	ethanol	ethanol	NOUN
eurjchem-2657	129	32	,	,	PUNCT
eurjchem-2657	129	33	and	and	CCONJ
eurjchem-2657	129	34	water	water	NOUN
eurjchem-2657	129	35	phases	phase	NOUN
eurjchem-2657	129	36	were	be	AUX
eurjchem-2657	129	37	analyzed	analyze	VERB
eurjchem-2657	129	38	using	use	VERB
eurjchem-2657	129	39	the	the	DET
eurjchem-2657	129	40	dft	dft	PROPN
eurjchem-2657	129	41	method	method	NOUN
eurjchem-2657	129	42	with	with	ADP
eurjchem-2657	129	43	b3lyp/6	b3lyp/6	PROPN
eurjchem-2657	129	44	-	-	NOUN
eurjchem-2657	129	45	311g(d	311g(d	NUM
eurjchem-2657	129	46	,	,	PUNCT
eurjchem-2657	129	47	p	p	NOUN
eurjchem-2657	129	48	)	)	PUNCT
eurjchem-2657	129	49	,	,	PUNCT
eurjchem-2657	129	50	level	level	NOUN
eurjchem-2657	129	51	as	as	SCONJ
eurjchem-2657	129	52	listed	list	VERB
eurjchem-2657	129	53	in	in	ADP
eurjchem-2657	129	54	table	table	NOUN
eurjchem-2657	129	55	5	5	NUM
eurjchem-2657	129	56	.	.	PUNCT
eurjchem-2657	129	57	as	as	SCONJ
eurjchem-2657	129	58	seen	see	VERB
eurjchem-2657	129	59	in	in	ADP
eurjchem-2657	129	60	table	table	NOUN
eurjchem-2657	129	61	5	5	NUM
eurjchem-2657	129	62	the	the	DET
eurjchem-2657	129	63	homo	homo	NOUN
eurjchem-2657	129	64	energy	energy	NOUN
eurjchem-2657	129	65	of	of	ADP
eurjchem-2657	129	66	the	the	DET
eurjchem-2657	129	67	tpb	tpb	NOUN
eurjchem-2657	129	68	molecule	molecule	NOUN
eurjchem-2657	129	69	becomes	become	VERB
eurjchem-2657	129	70	more	more	ADV
eurjchem-2657	129	71	negative	negative	ADJ
eurjchem-2657	129	72	with	with	ADP
eurjchem-2657	129	73	the	the	DET
eurjchem-2657	129	74	polarity	polarity	NOUN
eurjchem-2657	129	75	of	of	ADP
eurjchem-2657	129	76	the	the	DET
eurjchem-2657	129	77	phase	phase	NOUN
eurjchem-2657	129	78	.	.	PUNCT
eurjchem-2657	130	1	the	the	DET
eurjchem-2657	130	2	ehomo	ehomo	NOUN
eurjchem-2657	130	3	of	of	ADP
eurjchem-2657	130	4	the	the	DET
eurjchem-2657	130	5	tpb	tpb	NOUN
eurjchem-2657	130	6	molecule	molecule	NOUN
eurjchem-2657	130	7	shifts	shift	NOUN
eurjchem-2657	130	8	downward	downward	ADV
eurjchem-2657	130	9	,	,	PUNCT
eurjchem-2657	130	10	and	and	CCONJ
eurjchem-2657	130	11	the	the	DET
eurjchem-2657	130	12	shifting	shift	VERB
eurjchem-2657	130	13	downward	downward	ADV
eurjchem-2657	130	14	is	be	AUX
eurjchem-2657	130	15	the	the	DET
eurjchem-2657	130	16	biggest	big	ADJ
eurjchem-2657	130	17	(	(	PUNCT
eurjchem-2657	130	18	-5.673701	-5.673701	NOUN
eurjchem-2657	130	19	)	)	PUNCT
eurjchem-2657	130	20	in	in	ADP
eurjchem-2657	130	21	the	the	DET
eurjchem-2657	130	22	most	most	ADV
eurjchem-2657	130	23	polar	polar	ADJ
eurjchem-2657	130	24	solvent	solvent	NOUN
eurjchem-2657	130	25	.	.	PUNCT
eurjchem-2657	131	1	the	the	DET
eurjchem-2657	131	2	order	order	NOUN
eurjchem-2657	131	3	of	of	ADP
eurjchem-2657	131	4	lumo	lumo	ADJ
eurjchem-2657	131	5	energy	energy	NOUN
eurjchem-2657	131	6	levels	level	NOUN
eurjchem-2657	131	7	(	(	PUNCT
eurjchem-2657	131	8	from	from	ADP
eurjchem-2657	131	9	highest	high	ADJ
eurjchem-2657	131	10	to	to	PART
eurjchem-2657	131	11	lowest	low	ADJ
eurjchem-2657	131	12	)	)	PUNCT
eurjchem-2657	131	13	of	of	ADP
eurjchem-2657	131	14	tpb	tpb	NOUN
eurjchem-2657	131	15	is	be	AUX
eurjchem-2657	131	16	gas	gas	NOUN
eurjchem-2657	131	17	(	(	PUNCT
eurjchem-2657	131	18	-0.921862ev	-0.921862ev	PROPN
eurjchem-2657	131	19	)	)	PUNCT
eurjchem-2657	131	20	>	>	PUNCT
eurjchem-2657	131	21	n	n	CCONJ
eurjchem-2657	131	22	-	-	PUNCT
eurjchem-2657	131	23	octanol	octanol	NOUN
eurjchem-2657	131	24	(	(	PUNCT
eurjchem-2657	131	25	-1.034047	-1.034047	NOUN
eurjchem-2657	131	26	ev	ev	VERB
eurjchem-2657	131	27	)	)	PUNCT
eurjchem-2657	131	28	>	>	X
eurjchem-2657	131	29	ethanol	ethanol	NOUN
eurjchem-2657	131	30	(	(	PUNCT
eurjchem-2657	131	31	-1.053353ev	-1.053353ev	NOUN
eurjchem-2657	131	32	)	)	PUNCT
eurjchem-2657	131	33	>	>	X
eurjchem-2657	131	34	water	water	NOUN
eurjchem-2657	131	35	(	(	PUNCT
eurjchem-2657	131	36	-1.064142	-1.064142	ADJ
eurjchem-2657	131	37	ev	ev	INTJ
eurjchem-2657	131	38	)	)	PUNCT
eurjchem-2657	131	39	shows	show	VERB
eurjchem-2657	131	40	that	that	SCONJ
eurjchem-2657	131	41	lumo	lumo	NOUN
eurjchem-2657	131	42	energy	energy	NOUN
eurjchem-2657	131	43	becomes	become	VERB
eurjchem-2657	131	44	more	more	ADV
eurjchem-2657	131	45	negative	negative	ADJ
eurjchem-2657	131	46	)	)	PUNCT
eurjchem-2657	131	47	as	as	ADP
eurjchem-2657	131	48	the	the	DET
eurjchem-2657	131	49	solvent	solvent	NOUN
eurjchem-2657	131	50	polarity	polarity	NOUN
eurjchem-2657	131	51	increases	increase	VERB
eurjchem-2657	131	52	.	.	PUNCT
eurjchem-2657	132	1	it	it	PRON
eurjchem-2657	132	2	is	be	AUX
eurjchem-2657	132	3	well	well	ADV
eurjchem-2657	132	4	known	know	VERB
eurjchem-2657	132	5	that	that	SCONJ
eurjchem-2657	132	6	the	the	DET
eurjchem-2657	132	7	energy	energy	NOUN
eurjchem-2657	132	8	gap	gap	NOUN
eurjchem-2657	132	9	in	in	ADP
eurjchem-2657	132	10	the	the	DET
eurjchem-2657	132	11	energy	energy	NOUN
eurjchem-2657	132	12	levels	level	NOUN
eurjchem-2657	132	13	of	of	ADP
eurjchem-2657	132	14	a	a	DET
eurjchem-2657	132	15	system	system	NOUN
eurjchem-2657	132	16	,	,	PUNCT
eurjchem-2657	132	17	defined	define	VERB
eurjchem-2657	132	18	as	as	ADP
eurjchem-2657	132	19	∆egap	∆egap	NOUN
eurjchem-2657	132	20	=	=	SYM
eurjchem-2657	132	21	elumo	elumo	ADJ
eurjchem-2657	132	22	ehomo	ehomo	NOUN
eurjchem-2657	132	23	,	,	PUNCT
eurjchem-2657	132	24	can	can	AUX
eurjchem-2657	132	25	indicate	indicate	VERB
eurjchem-2657	132	26	whether	whether	SCONJ
eurjchem-2657	132	27	the	the	DET
eurjchem-2657	132	28	molecule	molecule	NOUN
eurjchem-2657	132	29	is	be	AUX
eurjchem-2657	132	30	hard	hard	ADJ
eurjchem-2657	132	31	or	or	CCONJ
eurjchem-2657	132	32	soft	soft	ADJ
eurjchem-2657	132	33	[	[	X
eurjchem-2657	132	34	25	25	NUM
eurjchem-2657	132	35	]	]	PUNCT
eurjchem-2657	132	36	.	.	PUNCT
eurjchem-2657	133	1	hard	hard	ADJ
eurjchem-2657	133	2	molecules	molecule	NOUN
eurjchem-2657	133	3	have	have	VERB
eurjchem-2657	133	4	a	a	DET
eurjchem-2657	133	5	large	large	ADJ
eurjchem-2657	133	6	homo	homo	NOUN
eurjchem-2657	133	7	-	-	PUNCT
eurjchem-2657	133	8	lumo	lumo	NOUN
eurjchem-2657	133	9	gap	gap	NOUN
eurjchem-2657	133	10	,	,	PUNCT
eurjchem-2657	133	11	while	while	SCONJ
eurjchem-2657	133	12	soft	soft	ADJ
eurjchem-2657	133	13	molecules	molecule	NOUN
eurjchem-2657	133	14	have	have	VERB
eurjchem-2657	133	15	a	a	DET
eurjchem-2657	133	16	small	small	ADJ
eurjchem-2657	133	17	gap	gap	NOUN
eurjchem-2657	133	18	[	[	X
eurjchem-2657	133	19	25	25	NUM
eurjchem-2657	133	20	]	]	PUNCT
eurjchem-2657	133	21	.	.	PUNCT
eurjchem-2657	134	1	as	as	SCONJ
eurjchem-2657	134	2	shown	show	VERB
eurjchem-2657	134	3	in	in	ADP
eurjchem-2657	134	4	table	table	NOUN
eurjchem-2657	134	5	5	5	NUM
eurjchem-2657	134	6	,	,	PUNCT
eurjchem-2657	134	7	the	the	DET
eurjchem-2657	134	8	∆egap	∆egap	NOUN
eurjchem-2657	134	9	in	in	ADP
eurjchem-2657	134	10	polar	polar	ADJ
eurjchem-2657	134	11	solvents	solvent	NOUN
eurjchem-2657	134	12	is	be	AUX
eurjchem-2657	134	13	higher	high	ADJ
eurjchem-2657	134	14	than	than	ADP
eurjchem-2657	134	15	in	in	ADP
eurjchem-2657	134	16	the	the	DET
eurjchem-2657	134	17	gas	gas	NOUN
eurjchem-2657	134	18	phase	phase	NOUN
eurjchem-2657	134	19	.	.	PUNCT
eurjchem-2657	135	1	tosun	tosun	NOUN
eurjchem-2657	135	2	and	and	CCONJ
eurjchem-2657	135	3	kandemirli	kandemirli	ADJ
eurjchem-2657	135	4	/	/	SYM
eurjchem-2657	135	5	european	european	ADJ
eurjchem-2657	135	6	journal	journal	PROPN
eurjchem-2657	135	7	of	of	ADP
eurjchem-2657	135	8	chemistry	chemistry	NOUN
eurjchem-2657	135	9	16	16	NUM
eurjchem-2657	135	10	(	(	PUNCT
eurjchem-2657	135	11	3	3	NUM
eurjchem-2657	135	12	)	)	PUNCT
eurjchem-2657	135	13	(	(	PUNCT
eurjchem-2657	135	14	2025	2025	NUM
eurjchem-2657	135	15	)	)	PUNCT
eurjchem-2657	135	16	267	267	NUM
eurjchem-2657	135	17	-	-	SYM
eurjchem-2657	135	18	274	274	NUM
eurjchem-2657	135	19	271	271	NUM
eurjchem-2657	135	20	2025	2025	NUM
eurjchem-2657	135	21	–	–	PUNCT
eurjchem-2657	135	22	european	european	ADJ
eurjchem-2657	135	23	journal	journal	NOUN
eurjchem-2657	135	24	of	of	ADP
eurjchem-2657	135	25	chemistry	chemistry	NOUN
eurjchem-2657	135	26	–	–	PUNCT
eurjchem-2657	135	27	cc	cc	NOUN
eurjchem-2657	135	28	by	by	ADP
eurjchem-2657	135	29	nc	nc	PROPN
eurjchem-2657	135	30	–	–	PUNCT
eurjchem-2657	135	31	doi	doi	NOUN
eurjchem-2657	135	32	:	:	PUNCT
eurjchem-2657	135	33	10.5155	10.5155	NUM
eurjchem-2657	135	34	/	/	SYM
eurjchem-2657	135	35	eurjchem.16.3.267	eurjchem.16.3.267	NUM
eurjchem-2657	135	36	-	-	PUNCT
eurjchem-2657	135	37	274.2657	274.2657	NUM
eurjchem-2657	135	38	table	table	NOUN
eurjchem-2657	135	39	6	6	NUM
eurjchem-2657	135	40	.	.	PUNCT
eurjchem-2657	136	1	summary	summary	NOUN
eurjchem-2657	136	2	of	of	ADP
eurjchem-2657	136	3	surface	surface	NOUN
eurjchem-2657	136	4	analysis	analysis	NOUN
eurjchem-2657	136	5	for	for	ADP
eurjchem-2657	136	6	tpb	tpb	NOUN
eurjchem-2657	136	7	in	in	ADP
eurjchem-2657	136	8	gas	gas	NOUN
eurjchem-2657	136	9	,	,	PUNCT
eurjchem-2657	136	10	n	n	CCONJ
eurjchem-2657	136	11	-	-	PUNCT
eurjchem-2657	136	12	octanol	octanol	NOUN
eurjchem-2657	136	13	,	,	PUNCT
eurjchem-2657	136	14	ethanol	ethanol	NOUN
eurjchem-2657	136	15	,	,	PUNCT
eurjchem-2657	136	16	and	and	CCONJ
eurjchem-2657	136	17	water	water	NOUN
eurjchem-2657	136	18	media	medium	NOUN
eurjchem-2657	136	19	.	.	PUNCT
eurjchem-2657	137	1	the	the	DET
eurjchem-2657	137	2	summary	summary	NOUN
eurjchem-2657	137	3	of	of	ADP
eurjchem-2657	137	4	surface	surface	NOUN
eurjchem-2657	137	5	analysis	analysis	NOUN
eurjchem-2657	137	6	gas	gas	NOUN
eurjchem-2657	137	7	n	n	CCONJ
eurjchem-2657	137	8	-	-	PUNCT
eurjchem-2657	137	9	octanol	octanol	NOUN
eurjchem-2657	137	10	ethanol	ethanol	NOUN
eurjchem-2657	137	11	water	water	NOUN
eurjchem-2657	137	12	v	v	NOUN
eurjchem-2657	137	13	(	(	PUNCT
eurjchem-2657	137	14	bohr3	bohr3	NOUN
eurjchem-2657	137	15	)	)	PUNCT
eurjchem-2657	137	16	2905.41	2905.41	NUM
eurjchem-2657	137	17	2905.94	2905.94	NUM
eurjchem-2657	137	18	2906.72	2906.72	NUM
eurjchem-2657	137	19	2907.07	2907.07	NUM
eurjchem-2657	137	20	osa	osa	NOUN
eurjchem-2657	137	21	(	(	PUNCT
eurjchem-2657	137	22	bohr2	bohr2	NOUN
eurjchem-2657	137	23	)	)	PUNCT
eurjchem-2657	137	24	1314.40	1314.40	NUM
eurjchem-2657	137	25	1313.45	1313.45	NUM
eurjchem-2657	137	26	1313.73	1313.73	NUM
eurjchem-2657	137	27	1313.78	1313.78	NUM
eurjchem-2657	137	28	psa	psa	PROPN
eurjchem-2657	137	29	(	(	PUNCT
eurjchem-2657	137	30	bohr2	bohr2	NOUN
eurjchem-2657	137	31	)	)	PUNCT
eurjchem-2657	138	1	555.18	555.18	NUM
eurjchem-2657	138	2	557.20	557.20	NUM
eurjchem-2657	138	3	558.79	558.79	NUM
eurjchem-2657	138	4	559.10	559.10	NUM
eurjchem-2657	138	5	nsa	nsa	NOUN
eurjchem-2657	138	6	(	(	PUNCT
eurjchem-2657	138	7	bohr2	bohr2	NOUN
eurjchem-2657	138	8	)	)	PUNCT
eurjchem-2657	139	1	759.22	759.22	NUM
eurjchem-2657	139	2	756.24	756.24	NUM
eurjchem-2657	139	3	754.94	754.94	NUM
eurjchem-2657	139	4	754.69	754.69	NUM
eurjchem-2657	139	5	oav	oav	NOUN
eurjchem-2657	139	6	(	(	PUNCT
eurjchem-2657	139	7	kcal	kcal	PROPN
eurjchem-2657	139	8	/	/	SYM
eurjchem-2657	139	9	mol	mol	NOUN
eurjchem-2657	139	10	)	)	PUNCT
eurjchem-2657	139	11	-1.14	-1.14	PRON
eurjchem-2657	139	12	-2.08	-2.08	NUM
eurjchem-2657	139	13	-2.26	-2.26	NUM
eurjchem-2657	139	14	-2.36	-2.36	NUM
eurjchem-2657	139	15	pav	pav	PROPN
eurjchem-2657	139	16	(	(	PUNCT
eurjchem-2657	139	17	kcal	kcal	PROPN
eurjchem-2657	139	18	/	/	SYM
eurjchem-2657	139	19	mol	mol	PROPN
eurjchem-2657	139	20	)	)	PUNCT
eurjchem-2657	139	21	12.69	12.69	NUM
eurjchem-2657	139	22	14.51	14.51	NUM
eurjchem-2657	139	23	14.72	14.72	NUM
eurjchem-2657	139	24	14.84	14.84	NUM
eurjchem-2657	139	25	nav	nav	NOUN
eurjchem-2657	139	26	(	(	PUNCT
eurjchem-2657	139	27	kcal	kcal	PROPN
eurjchem-2657	139	28	/	/	SYM
eurjchem-2657	139	29	mol	mol	NOUN
eurjchem-2657	139	30	)	)	PUNCT
eurjchem-2657	139	31	-11.25	-11.25	PROPN
eurjchem-2657	139	32	-14.30	-14.30	PUNCT
eurjchem-2657	140	1	-14.83	-14.83	PROPN
eurjchem-2657	141	1	-15.10	-15.10	NUM
eurjchem-2657	141	2	ov	ov	PROPN
eurjchem-2657	141	3	(	(	PUNCT
eurjchem-2657	141	4	(	(	PUNCT
eurjchem-2657	141	5	kcal	kcal	ADJ
eurjchem-2657	141	6	/	/	SYM
eurjchem-2657	141	7	mol)2	mol)2	PROPN
eurjchem-2657	141	8	)	)	PUNCT
eurjchem-2657	141	9	134.87	134.87	NUM
eurjchem-2657	141	10	201.69	201.69	NUM
eurjchem-2657	141	11	216.56	216.56	NUM
eurjchem-2657	141	12	224.56	224.56	NUM
eurjchem-2657	141	13	pv	pv	X
eurjchem-2657	141	14	(	(	PUNCT
eurjchem-2657	141	15	(	(	PUNCT
eurjchem-2657	141	16	kcal	kcal	ADJ
eurjchem-2657	141	17	/	/	SYM
eurjchem-2657	141	18	mol)2	mol)2	PROPN
eurjchem-2657	141	19	)	)	PUNCT
eurjchem-2657	141	20	77.92	77.92	NUM
eurjchem-2657	141	21	104.11	104.11	NUM
eurjchem-2657	141	22	107.91	107.91	NUM
eurjchem-2657	141	23	109.77	109.77	NUM
eurjchem-2657	141	24	nv	nv	PROPN
eurjchem-2657	141	25	(	(	PUNCT
eurjchem-2657	141	26	(	(	PUNCT
eurjchem-2657	141	27	kcal	kcal	PROPN
eurjchem-2657	141	28	/	/	SYM
eurjchem-2657	141	29	mol	mol	NOUN
eurjchem-2657	141	30	)	)	PUNCT
eurjchem-2657	141	31	2	2	NUM
eurjchem-2657	141	32	)	)	PUNCT
eurjchem-2657	141	33	56.95	56.95	NUM
eurjchem-2657	141	34	97.58	97.58	NUM
eurjchem-2657	141	35	108.65	108.65	NUM
eurjchem-2657	141	36	114.78	114.78	NUM
eurjchem-2657	141	37	bc	bc	PROPN
eurjchem-2657	141	38	0.24	0.24	NUM
eurjchem-2657	141	39	0.25	0.25	NUM
eurjchem-2657	141	40	0.25	0.25	NUM
eurjchem-2657	141	41	0.25	0.25	NUM
eurjchem-2657	141	42	psm	psm	NOUN
eurjchem-2657	141	43	(	(	PUNCT
eurjchem-2657	141	44	(	(	PUNCT
eurjchem-2657	141	45	kcal	kcal	ADJ
eurjchem-2657	141	46	/	/	SYM
eurjchem-2657	141	47	mol)2	mol)2	PROPN
eurjchem-2657	141	48	)	)	PUNCT
eurjchem-2657	141	49	32.90	32.90	NUM
eurjchem-2657	141	50	50.37	50.37	NUM
eurjchem-2657	141	51	54.14	54.14	NUM
eurjchem-2657	141	52	56.11	56.11	NUM
eurjchem-2657	141	53	ics	ic	NOUN
eurjchem-2657	141	54	(	(	PUNCT
eurjchem-2657	141	55	kcal	kcal	PROPN
eurjchem-2657	141	56	/	/	SYM
eurjchem-2657	141	57	mol	mol	PROPN
eurjchem-2657	141	58	)	)	PUNCT
eurjchem-2657	141	59	11.71	11.71	NUM
eurjchem-2657	141	60	14.14	14.14	NUM
eurjchem-2657	141	61	14.52	14.52	NUM
eurjchem-2657	141	62	14.72	14.72	NUM
eurjchem-2657	141	63	gmin	gmin	NOUN
eurjchem-2657	141	64	(	(	PUNCT
eurjchem-2657	141	65	kcal	kcal	NOUN
eurjchem-2657	141	66	/	/	SYM
eurjchem-2657	141	67	mol	mol	NOUN
eurjchem-2657	141	68	)	)	PUNCT
eurjchem-2657	141	69	-36.20	-36.20	PUNCT
eurjchem-2657	141	70	-48.61	-48.61	PROPN
eurjchem-2657	141	71	-51.43	-51.43	PUNCT
eurjchem-2657	141	72	-52.94	-52.94	PROPN
eurjchem-2657	141	73	gmax	gmax	PROPN
eurjchem-2657	141	74	(	(	PUNCT
eurjchem-2657	141	75	kcal	kcal	NOUN
eurjchem-2657	141	76	/	/	SYM
eurjchem-2657	141	77	mol	mol	NOUN
eurjchem-2657	141	78	)	)	PUNCT
eurjchem-2657	141	79	42.39	42.39	NUM
eurjchem-2657	141	80	49.08	49.08	NUM
eurjchem-2657	141	81	49.95	49.95	NUM
eurjchem-2657	141	82	50.34	50.34	NUM
eurjchem-2657	141	83	figure	figure	NOUN
eurjchem-2657	141	84	3	3	NUM
eurjchem-2657	141	85	.	.	PUNCT
eurjchem-2657	141	86	electrostatic	electrostatic	ADJ
eurjchem-2657	141	87	potential	potential	NOUN
eurjchem-2657	141	88	for	for	ADP
eurjchem-2657	141	89	tpb	tpb	NOUN
eurjchem-2657	141	90	in	in	ADP
eurjchem-2657	141	91	gas	gas	NOUN
eurjchem-2657	141	92	phase	phase	NOUN
eurjchem-2657	141	93	red	red	ADJ
eurjchem-2657	141	94	(	(	PUNCT
eurjchem-2657	141	95	very	very	ADV
eurjchem-2657	141	96	negative	negative	ADJ
eurjchem-2657	141	97	)	)	PUNCT
eurjchem-2657	141	98	,	,	PUNCT
eurjchem-2657	141	99	yellow	yellow	ADJ
eurjchem-2657	141	100	(	(	PUNCT
eurjchem-2657	141	101	slightly	slightly	ADV
eurjchem-2657	141	102	negative	negative	ADJ
eurjchem-2657	141	103	)	)	PUNCT
eurjchem-2657	141	104	,	,	PUNCT
eurjchem-2657	141	105	light	light	ADJ
eurjchem-2657	141	106	blue	blue	ADJ
eurjchem-2657	141	107	(	(	PUNCT
eurjchem-2657	141	108	positive	positive	ADJ
eurjchem-2657	141	109	)	)	PUNCT
eurjchem-2657	141	110	,	,	PUNCT
eurjchem-2657	141	111	and	and	CCONJ
eurjchem-2657	141	112	dark	dark	ADJ
eurjchem-2657	141	113	blue	blue	NOUN
eurjchem-2657	141	114	(	(	PUNCT
eurjchem-2657	141	115	very	very	ADV
eurjchem-2657	141	116	positive	positive	ADJ
eurjchem-2657	141	117	)	)	PUNCT
eurjchem-2657	141	118	.	.	PUNCT
eurjchem-2657	142	1	the	the	DET
eurjchem-2657	142	2	increase	increase	NOUN
eurjchem-2657	142	3	in	in	ADP
eurjchem-2657	142	4	the	the	DET
eurjchem-2657	142	5	energy	energy	NOUN
eurjchem-2657	142	6	gap	gap	NOUN
eurjchem-2657	142	7	in	in	ADP
eurjchem-2657	142	8	polar	polar	ADJ
eurjchem-2657	142	9	solvents	solvent	NOUN
eurjchem-2657	142	10	is	be	AUX
eurjchem-2657	142	11	due	due	ADJ
eurjchem-2657	142	12	to	to	ADP
eurjchem-2657	142	13	the	the	DET
eurjchem-2657	142	14	high	high	ADJ
eurjchem-2657	142	15	chemical	chemical	NOUN
eurjchem-2657	142	16	stability	stability	NOUN
eurjchem-2657	142	17	and	and	CCONJ
eurjchem-2657	142	18	low	low	ADJ
eurjchem-2657	142	19	chemical	chemical	NOUN
eurjchem-2657	142	20	reactivity	reactivity	NOUN
eurjchem-2657	142	21	of	of	ADP
eurjchem-2657	142	22	tpb	tpb	NOUN
eurjchem-2657	142	23	in	in	ADP
eurjchem-2657	142	24	the	the	DET
eurjchem-2657	142	25	solvents	solvent	NOUN
eurjchem-2657	142	26	utilized	utilize	VERB
eurjchem-2657	142	27	[	[	PUNCT
eurjchem-2657	142	28	26	26	NUM
eurjchem-2657	142	29	]	]	PUNCT
eurjchem-2657	142	30	.	.	PUNCT
eurjchem-2657	143	1	the	the	DET
eurjchem-2657	143	2	calculated	calculated	ADJ
eurjchem-2657	143	3	3d	3d	NUM
eurjchem-2657	143	4	molecular	molecular	ADJ
eurjchem-2657	143	5	electrostatic	electrostatic	ADJ
eurjchem-2657	143	6	potential	potential	NOUN
eurjchem-2657	143	7	(	(	PUNCT
eurjchem-2657	143	8	mep	mep	PROPN
eurjchem-2657	143	9	)	)	PUNCT
eurjchem-2657	143	10	surface	surface	NOUN
eurjchem-2657	143	11	of	of	ADP
eurjchem-2657	143	12	the	the	DET
eurjchem-2657	143	13	tpb	tpb	NOUN
eurjchem-2657	143	14	molecule	molecule	NOUN
eurjchem-2657	143	15	performed	perform	VERB
eurjchem-2657	143	16	from	from	ADP
eurjchem-2657	143	17	the	the	DET
eurjchem-2657	143	18	optimized	optimize	VERB
eurjchem-2657	143	19	molecular	molecular	ADJ
eurjchem-2657	143	20	structure	structure	NOUN
eurjchem-2657	143	21	at	at	ADP
eurjchem-2657	143	22	the	the	DET
eurjchem-2657	143	23	b3lyp	b3lyp	NOUN
eurjchem-2657	143	24	level	level	NOUN
eurjchem-2657	143	25	and	and	CCONJ
eurjchem-2657	143	26	6	6	NUM
eurjchem-2657	143	27	-	-	SYM
eurjchem-2657	143	28	311g(d	311g(d	NUM
eurjchem-2657	143	29	,	,	PUNCT
eurjchem-2657	143	30	p	p	NOUN
eurjchem-2657	143	31	)	)	PUNCT
eurjchem-2657	143	32	basis	basis	NOUN
eurjchem-2657	143	33	set	set	VERB
eurjchem-2657	143	34	in	in	ADP
eurjchem-2657	143	35	the	the	DET
eurjchem-2657	143	36	gas	gas	NOUN
eurjchem-2657	143	37	phase	phase	NOUN
eurjchem-2657	143	38	,	,	PUNCT
eurjchem-2657	143	39	shown	show	VERB
eurjchem-2657	143	40	in	in	ADP
eurjchem-2657	143	41	figure	figure	NOUN
eurjchem-2657	143	42	3	3	NUM
eurjchem-2657	143	43	.	.	PUNCT
eurjchem-2657	144	1	a	a	DET
eurjchem-2657	144	2	molecular	molecular	ADJ
eurjchem-2657	144	3	electrostatic	electrostatic	ADJ
eurjchem-2657	144	4	potential	potential	ADJ
eurjchem-2657	144	5	map	map	NOUN
eurjchem-2657	144	6	,	,	PUNCT
eurjchem-2657	144	7	which	which	PRON
eurjchem-2657	144	8	simultaneously	simultaneously	ADV
eurjchem-2657	144	9	displays	display	VERB
eurjchem-2657	144	10	the	the	DET
eurjchem-2657	144	11	molecular	molecular	ADJ
eurjchem-2657	144	12	size	size	NOUN
eurjchem-2657	144	13	,	,	PUNCT
eurjchem-2657	144	14	shape	shape	NOUN
eurjchem-2657	144	15	,	,	PUNCT
eurjchem-2657	144	16	and	and	CCONJ
eurjchem-2657	144	17	electrostatic	electrostatic	ADJ
eurjchem-2657	144	18	potential	potential	NOUN
eurjchem-2657	144	19	using	use	VERB
eurjchem-2657	144	20	color	color	NOUN
eurjchem-2657	144	21	gradation	gradation	NOUN
eurjchem-2657	144	22	,	,	PUNCT
eurjchem-2657	144	23	can	can	AUX
eurjchem-2657	144	24	be	be	AUX
eurjchem-2657	144	25	used	use	VERB
eurjchem-2657	144	26	to	to	PART
eurjchem-2657	144	27	predict	predict	VERB
eurjchem-2657	144	28	reactive	reactive	ADJ
eurjchem-2657	144	29	sites	site	NOUN
eurjchem-2657	144	30	for	for	ADP
eurjchem-2657	144	31	electrophilic	electrophilic	ADJ
eurjchem-2657	144	32	and	and	CCONJ
eurjchem-2657	144	33	nucleophilic	nucleophilic	ADJ
eurjchem-2657	144	34	attacks	attack	NOUN
eurjchem-2657	144	35	.	.	PUNCT
eurjchem-2657	145	1	blue	blue	ADJ
eurjchem-2657	145	2	indicates	indicate	VERB
eurjchem-2657	145	3	electron	electron	NOUN
eurjchem-2657	145	4	-	-	PUNCT
eurjchem-2657	145	5	deficient	deficient	ADJ
eurjchem-2657	145	6	regions	region	NOUN
eurjchem-2657	145	7	,	,	PUNCT
eurjchem-2657	145	8	green	green	ADJ
eurjchem-2657	145	9	indicates	indicate	VERB
eurjchem-2657	145	10	nearly	nearly	ADV
eurjchem-2657	145	11	electrically	electrically	ADV
eurjchem-2657	145	12	neutral	neutral	ADJ
eurjchem-2657	145	13	regions	region	NOUN
eurjchem-2657	145	14	,	,	PUNCT
eurjchem-2657	145	15	and	and	CCONJ
eurjchem-2657	145	16	red	red	NOUN
eurjchem-2657	145	17	indicates	indicate	VERB
eurjchem-2657	145	18	electron	electron	NOUN
eurjchem-2657	145	19	-	-	PUNCT
eurjchem-2657	145	20	rich	rich	ADJ
eurjchem-2657	145	21	regions	region	NOUN
eurjchem-2657	145	22	.	.	PUNCT
eurjchem-2657	146	1	summary	summary	NOUN
eurjchem-2657	146	2	of	of	ADP
eurjchem-2657	146	3	surface	surface	NOUN
eurjchem-2657	146	4	analysis	analysis	NOUN
eurjchem-2657	146	5	of	of	ADP
eurjchem-2657	146	6	tpb	tpb	NOUN
eurjchem-2657	146	7	such	such	ADJ
eurjchem-2657	146	8	as	as	ADP
eurjchem-2657	146	9	volume	volume	NOUN
eurjchem-2657	146	10	(	(	PUNCT
eurjchem-2657	146	11	v	v	NOUN
eurjchem-2657	146	12	)	)	PUNCT
eurjchem-2657	146	13	,	,	PUNCT
eurjchem-2657	146	14	overall	overall	ADJ
eurjchem-2657	146	15	surface	surface	NOUN
eurjchem-2657	146	16	area	area	NOUN
eurjchem-2657	146	17	(	(	PUNCT
eurjchem-2657	146	18	osa	osa	PROPN
eurjchem-2657	146	19	)	)	PUNCT
eurjchem-2657	146	20	,	,	PUNCT
eurjchem-2657	146	21	positive	positive	ADJ
eurjchem-2657	146	22	surface	surface	NOUN
eurjchem-2657	146	23	area	area	NOUN
eurjchem-2657	146	24	(	(	PUNCT
eurjchem-2657	146	25	psa	psa	NOUN
eurjchem-2657	146	26	)	)	PUNCT
eurjchem-2657	146	27	,	,	PUNCT
eurjchem-2657	146	28	negative	negative	ADJ
eurjchem-2657	146	29	surface	surface	NOUN
eurjchem-2657	146	30	area	area	NOUN
eurjchem-2657	146	31	(	(	PUNCT
eurjchem-2657	146	32	nsa	nsa	PROPN
eurjchem-2657	146	33	)	)	PUNCT
eurjchem-2657	146	34	,	,	PUNCT
eurjchem-2657	146	35	overall	overall	ADJ
eurjchem-2657	146	36	average	average	ADJ
eurjchem-2657	146	37	value	value	NOUN
eurjchem-2657	146	38	(	(	PUNCT
eurjchem-2657	146	39	oav	oav	PROPN
eurjchem-2657	146	40	)	)	PUNCT
eurjchem-2657	146	41	,	,	PUNCT
eurjchem-2657	146	42	positive	positive	ADJ
eurjchem-2657	146	43	average	average	ADJ
eurjchem-2657	146	44	value	value	NOUN
eurjchem-2657	146	45	(	(	PUNCT
eurjchem-2657	146	46	pav	pav	PROPN
eurjchem-2657	146	47	)	)	PUNCT
eurjchem-2657	146	48	,	,	PUNCT
eurjchem-2657	146	49	negative	negative	ADJ
eurjchem-2657	146	50	average	average	ADJ
eurjchem-2657	146	51	value	value	NOUN
eurjchem-2657	146	52	(	(	PUNCT
eurjchem-2657	146	53	nav	nav	NOUN
eurjchem-2657	146	54	)	)	PUNCT
eurjchem-2657	146	55	,	,	PUNCT
eurjchem-2657	146	56	overall	overall	ADJ
eurjchem-2657	146	57	variance	variance	NOUN
eurjchem-2657	146	58	(	(	PUNCT
eurjchem-2657	146	59	ov	ov	PROPN
eurjchem-2657	146	60	)	)	PUNCT
eurjchem-2657	146	61	,	,	PUNCT
eurjchem-2657	146	62	positive	positive	ADJ
eurjchem-2657	146	63	variance	variance	NOUN
eurjchem-2657	146	64	(	(	PUNCT
eurjchem-2657	146	65	pv	pv	NOUN
eurjchem-2657	146	66	)	)	PUNCT
eurjchem-2657	146	67	,	,	PUNCT
eurjchem-2657	146	68	negative	negative	ADJ
eurjchem-2657	146	69	variance	variance	NOUN
eurjchem-2657	146	70	(	(	PUNCT
eurjchem-2657	146	71	nv	nv	PROPN
eurjchem-2657	146	72	)	)	PUNCT
eurjchem-2657	146	73	,	,	PUNCT
eurjchem-2657	146	74	balance	balance	NOUN
eurjchem-2657	146	75	of	of	ADP
eurjchem-2657	146	76	charges	charge	NOUN
eurjchem-2657	146	77	(	(	PUNCT
eurjchem-2657	146	78	bc	bc	PROPN
eurjchem-2657	146	79	)	)	PUNCT
eurjchem-2657	146	80	product	product	NOUN
eurjchem-2657	146	81	of	of	ADP
eurjchem-2657	146	82	𝜎𝜎𝑡𝑡𝑡𝑡𝑡𝑡2	𝜎𝜎𝑡𝑡𝑡𝑡𝑡𝑡2	NOUN
eurjchem-2657	146	83	and	and	CCONJ
eurjchem-2657	146	84	miu	miu	PROPN
eurjchem-2657	146	85	(	(	PUNCT
eurjchem-2657	146	86	psm	psm	PROPN
eurjchem-2657	146	87	)	)	PUNCT
eurjchem-2657	146	88	,	,	PUNCT
eurjchem-2657	146	89	and	and	CCONJ
eurjchem-2657	146	90	internal	internal	ADJ
eurjchem-2657	146	91	charge	charge	NOUN
eurjchem-2657	146	92	separation	separation	NOUN
eurjchem-2657	146	93	are	be	AUX
eurjchem-2657	146	94	given	give	VERB
eurjchem-2657	146	95	in	in	ADP
eurjchem-2657	146	96	table	table	NOUN
eurjchem-2657	146	97	6	6	NUM
eurjchem-2657	146	98	.	.	PUNCT
eurjchem-2657	147	1	the	the	DET
eurjchem-2657	147	2	order	order	NOUN
eurjchem-2657	147	3	of	of	ADP
eurjchem-2657	147	4	molecular	molecular	ADJ
eurjchem-2657	147	5	volume	volume	NOUN
eurjchem-2657	147	6	(	(	PUNCT
eurjchem-2657	147	7	v	v	NOUN
eurjchem-2657	147	8	)	)	PUNCT
eurjchem-2657	147	9	of	of	ADP
eurjchem-2657	147	10	tpb	tpb	NOUN
eurjchem-2657	147	11	in	in	ADP
eurjchem-2657	147	12	different	different	ADJ
eurjchem-2657	147	13	solvents	solvent	NOUN
eurjchem-2657	147	14	:	:	PUNCT
eurjchem-2657	147	15	gas	gas	NOUN
eurjchem-2657	147	16	(	(	PUNCT
eurjchem-2657	147	17	2905.41	2905.41	NUM
eurjchem-2657	147	18	bohr3	bohr3	NOUN
eurjchem-2657	147	19	)	)	PUNCT
eurjchem-2657	147	20	<	<	X
eurjchem-2657	147	21	n	n	CCONJ
eurjchem-2657	147	22	-	-	PUNCT
eurjchem-2657	147	23	octanol	octanol	NOUN
eurjchem-2657	147	24	(	(	PUNCT
eurjchem-2657	147	25	2905.94	2905.94	NUM
eurjchem-2657	147	26	bohr3	bohr3	NOUN
eurjchem-2657	147	27	)	)	PUNCT
eurjchem-2657	147	28	<	<	X
eurjchem-2657	147	29	ethanol	ethanol	NOUN
eurjchem-2657	147	30	(	(	PUNCT
eurjchem-2657	147	31	2906.72	2906.72	NUM
eurjchem-2657	147	32	bohr3	bohr3	NOUN
eurjchem-2657	147	33	)	)	PUNCT
eurjchem-2657	147	34	<	<	X
eurjchem-2657	147	35	water	water	NOUN
eurjchem-2657	147	36	(	(	PUNCT
eurjchem-2657	147	37	2907.07	2907.07	NUM
eurjchem-2657	147	38	bohr3	bohr3	NOUN
eurjchem-2657	147	39	)	)	PUNCT
eurjchem-2657	147	40	.	.	PUNCT
eurjchem-2657	148	1	the	the	DET
eurjchem-2657	148	2	molecular	molecular	ADJ
eurjchem-2657	148	3	volume	volume	NOUN
eurjchem-2657	148	4	increases	increase	VERB
eurjchem-2657	148	5	slightly	slightly	ADV
eurjchem-2657	148	6	as	as	ADP
eurjchem-2657	148	7	the	the	DET
eurjchem-2657	148	8	polarity	polarity	NOUN
eurjchem-2657	148	9	of	of	ADP
eurjchem-2657	148	10	the	the	DET
eurjchem-2657	148	11	solvent	solvent	NOUN
eurjchem-2657	148	12	increases	increase	NOUN
eurjchem-2657	148	13	.	.	PUNCT
eurjchem-2657	149	1	the	the	DET
eurjchem-2657	149	2	smallest	small	ADJ
eurjchem-2657	149	3	volume	volume	NOUN
eurjchem-2657	149	4	is	be	AUX
eurjchem-2657	149	5	in	in	ADP
eurjchem-2657	149	6	the	the	DET
eurjchem-2657	149	7	gas	gas	NOUN
eurjchem-2657	149	8	phase	phase	NOUN
eurjchem-2657	149	9	,	,	PUNCT
eurjchem-2657	149	10	because	because	SCONJ
eurjchem-2657	149	11	there	there	PRON
eurjchem-2657	149	12	are	be	VERB
eurjchem-2657	149	13	no	no	DET
eurjchem-2657	149	14	solvation	solvation	NOUN
eurjchem-2657	149	15	effects	effect	NOUN
eurjchem-2657	149	16	.	.	PUNCT
eurjchem-2657	150	1	the	the	DET
eurjchem-2657	150	2	overall	overall	ADJ
eurjchem-2657	150	3	surface	surface	NOUN
eurjchem-2657	150	4	area	area	NOUN
eurjchem-2657	150	5	and	and	CCONJ
eurjchem-2657	150	6	positive	positive	ADJ
eurjchem-2657	150	7	surface	surface	NOUN
eurjchem-2657	150	8	area	area	NOUN
eurjchem-2657	150	9	slightly	slightly	ADV
eurjchem-2657	150	10	increase	increase	VERB
eurjchem-2657	150	11	as	as	SCONJ
eurjchem-2657	150	12	the	the	DET
eurjchem-2657	150	13	solvent	solvent	NOUN
eurjchem-2657	150	14	polatiy	polatiy	NOUN
eurjchem-2657	150	15	increase	increase	NOUN
eurjchem-2657	150	16	.	.	PUNCT
eurjchem-2657	151	1	the	the	DET
eurjchem-2657	151	2	osa	osa	PROPN
eurjchem-2657	151	3	remains	remain	VERB
eurjchem-2657	151	4	almost	almost	ADV
eurjchem-2657	151	5	constant	constant	ADJ
eurjchem-2657	151	6	across	across	ADP
eurjchem-2657	151	7	different	different	ADJ
eurjchem-2657	151	8	environments	environment	NOUN
eurjchem-2657	151	9	,	,	PUNCT
eurjchem-2657	151	10	indicating	indicate	VERB
eurjchem-2657	151	11	that	that	SCONJ
eurjchem-2657	151	12	solvent	solvent	ADJ
eurjchem-2657	151	13	interactions	interaction	NOUN
eurjchem-2657	151	14	do	do	AUX
eurjchem-2657	151	15	not	not	PART
eurjchem-2657	151	16	significantly	significantly	ADV
eurjchem-2657	151	17	affect	affect	VERB
eurjchem-2657	151	18	the	the	DET
eurjchem-2657	151	19	total	total	ADJ
eurjchem-2657	151	20	molecular	molecular	ADJ
eurjchem-2657	151	21	surface	surface	NOUN
eurjchem-2657	151	22	.	.	PUNCT
eurjchem-2657	152	1	the	the	DET
eurjchem-2657	152	2	molecular	molecular	ADJ
eurjchem-2657	152	3	volume	volume	NOUN
eurjchem-2657	152	4	increases	increase	VERB
eurjchem-2657	152	5	slightly	slightly	ADV
eurjchem-2657	152	6	from	from	ADP
eurjchem-2657	152	7	gas	gas	NOUN
eurjchem-2657	152	8	to	to	ADP
eurjchem-2657	152	9	water	water	NOUN
eurjchem-2657	152	10	,	,	PUNCT
eurjchem-2657	152	11	suggesting	suggest	VERB
eurjchem-2657	152	12	minor	minor	ADJ
eurjchem-2657	152	13	expansion	expansion	NOUN
eurjchem-2657	152	14	in	in	ADP
eurjchem-2657	152	15	polar	polar	ADJ
eurjchem-2657	152	16	solvents	solvent	NOUN
eurjchem-2657	152	17	.	.	PUNCT
eurjchem-2657	153	1	therefore	therefore	ADV
eurjchem-2657	153	2	,	,	PUNCT
eurjchem-2657	153	3	the	the	DET
eurjchem-2657	153	4	location	location	NOUN
eurjchem-2657	153	5	and	and	CCONJ
eurjchem-2657	153	6	value	value	NOUN
eurjchem-2657	153	7	of	of	ADP
eurjchem-2657	153	8	the	the	DET
eurjchem-2657	153	9	esp	esp	ADJ
eurjchem-2657	153	10	minimum	minimum	NOUN
eurjchem-2657	153	11	on	on	ADP
eurjchem-2657	153	12	the	the	DET
eurjchem-2657	153	13	molecular	molecular	ADJ
eurjchem-2657	153	14	van	van	PROPN
eurjchem-2657	153	15	der	der	NOUN
eurjchem-2657	153	16	waals	waal	NOUN
eurjchem-2657	153	17	(	(	PUNCT
eurjchem-2657	153	18	vdw	vdw	NOUN
eurjchem-2657	153	19	)	)	PUNCT
eurjchem-2657	153	20	surface	surface	NOUN
eurjchem-2657	153	21	are	be	AUX
eurjchem-2657	153	22	often	often	ADV
eurjchem-2657	153	23	used	use	VERB
eurjchem-2657	153	24	to	to	PART
eurjchem-2657	153	25	reveal	reveal	VERB
eurjchem-2657	153	26	the	the	DET
eurjchem-2657	153	27	appropriate	appropriate	ADJ
eurjchem-2657	153	28	site	site	NOUN
eurjchem-2657	153	29	of	of	ADP
eurjchem-2657	153	30	electrophilic	electrophilic	ADJ
eurjchem-2657	153	31	attack	attack	NOUN
eurjchem-2657	153	32	[	[	X
eurjchem-2657	153	33	27	27	NUM
eurjchem-2657	153	34	]	]	PUNCT
eurjchem-2657	153	35	.	.	PUNCT
eurjchem-2657	154	1	the	the	DET
eurjchem-2657	154	2	nucleophile	nucleophile	NOUN
eurjchem-2657	154	3	carries	carry	VERB
eurjchem-2657	154	4	a	a	DET
eurjchem-2657	154	5	local	local	ADJ
eurjchem-2657	154	6	positive	positive	ADJ
eurjchem-2657	154	7	charge	charge	NOUN
eurjchem-2657	154	8	and	and	CCONJ
eurjchem-2657	154	9	therefore	therefore	ADV
eurjchem-2657	154	10	tends	tend	VERB
eurjchem-2657	154	11	to	to	PART
eurjchem-2657	154	12	be	be	AUX
eurjchem-2657	154	13	attracted	attract	VERB
eurjchem-2657	154	14	to	to	ADP
eurjchem-2657	154	15	the	the	DET
eurjchem-2657	154	16	region	region	NOUN
eurjchem-2657	154	17	where	where	SCONJ
eurjchem-2657	154	18	the	the	DET
eurjchem-2657	154	19	esp	esp	NOUN
eurjchem-2657	154	20	is	be	AUX
eurjchem-2657	154	21	positive	positive	ADJ
eurjchem-2657	154	22	.	.	PUNCT
eurjchem-2657	155	1	therefore	therefore	ADV
eurjchem-2657	155	2	,	,	PUNCT
eurjchem-2657	155	3	the	the	DET
eurjchem-2657	155	4	location	location	NOUN
eurjchem-2657	155	5	and	and	CCONJ
eurjchem-2657	155	6	value	value	NOUN
eurjchem-2657	155	7	of	of	ADP
eurjchem-2657	155	8	the	the	DET
eurjchem-2657	155	9	esp	esp	ADJ
eurjchem-2657	155	10	maxima	maxima	NOUN
eurjchem-2657	155	11	on	on	ADP
eurjchem-2657	155	12	the	the	DET
eurjchem-2657	155	13	molecular	molecular	ADJ
eurjchem-2657	155	14	vdw	vdw	NOUN
eurjchem-2657	155	15	surface	surface	NOUN
eurjchem-2657	155	16	are	be	AUX
eurjchem-2657	155	17	often	often	ADV
eurjchem-2657	155	18	used	use	VERB
eurjchem-2657	155	19	to	to	PART
eurjchem-2657	155	20	reveal	reveal	VERB
eurjchem-2657	155	21	the	the	DET
eurjchem-2657	155	22	appropriate	appropriate	ADJ
eurjchem-2657	155	23	site	site	NOUN
eurjchem-2657	155	24	of	of	ADP
eurjchem-2657	155	25	nucleophilic	nucleophilic	ADJ
eurjchem-2657	155	26	attack	attack	NOUN
eurjchem-2657	155	27	[	[	X
eurjchem-2657	155	28	28	28	NUM
eurjchem-2657	155	29	]	]	PUNCT
eurjchem-2657	155	30	.	.	PUNCT
eurjchem-2657	156	1	minimum	minimum	ADJ
eurjchem-2657	156	2	3	3	NUM
eurjchem-2657	156	3	is	be	AUX
eurjchem-2657	156	4	the	the	DET
eurjchem-2657	156	5	global	global	ADJ
eurjchem-2657	156	6	minimum	minimum	NOUN
eurjchem-2657	156	7	on	on	ADP
eurjchem-2657	156	8	the	the	DET
eurjchem-2657	156	9	surface	surface	NOUN
eurjchem-2657	156	10	,	,	PUNCT
eurjchem-2657	156	11	and	and	CCONJ
eurjchem-2657	156	12	its	its	PRON
eurjchem-2657	156	13	large	large	ADJ
eurjchem-2657	156	14	negative	negative	ADJ
eurjchem-2657	156	15	value	value	NOUN
eurjchem-2657	156	16	is	be	AUX
eurjchem-2657	156	17	due	due	ADJ
eurjchem-2657	156	18	to	to	ADP
eurjchem-2657	156	19	the	the	DET
eurjchem-2657	156	20	lone	lone	ADJ
eurjchem-2657	156	21	pair	pair	NOUN
eurjchem-2657	156	22	of	of	ADP
eurjchem-2657	156	23	nitrogen	nitrogen	NOUN
eurjchem-2657	156	24	,	,	PUNCT
eurjchem-2657	156	25	and	and	CCONJ
eurjchem-2657	156	26	the	the	DET
eurjchem-2657	156	27	minimum	minimum	ADJ
eurjchem-2657	156	28	energy	energy	NOUN
eurjchem-2657	156	29	value	value	NOUN
eurjchem-2657	156	30	is	be	AUX
eurjchem-2657	156	31	-36.2041	-36.2041	INTJ
eurjchem-2657	156	32	kcal	kcal	NUM
eurjchem-2657	156	33	/	/	SYM
eurjchem-2657	156	34	mol	mol	PROPN
eurjchem-2657	156	35	.	.	PUNCT
eurjchem-2657	157	1	maximum	maximum	ADJ
eurjchem-2657	157	2	2	2	NUM
eurjchem-2657	157	3	is	be	AUX
eurjchem-2657	157	4	the	the	DET
eurjchem-2657	157	5	global	global	ADJ
eurjchem-2657	157	6	maximum	maximum	NOUN
eurjchem-2657	157	7	arising	arise	VERB
eurjchem-2657	157	8	from	from	ADP
eurjchem-2657	157	9	the	the	DET
eurjchem-2657	157	10	positively	positively	ADV
eurjchem-2657	157	11	charged	charge	VERB
eurjchem-2657	157	12	h13	h13	NOUN
eurjchem-2657	157	13	and	and	CCONJ
eurjchem-2657	157	14	the	the	DET
eurjchem-2657	157	15	maximum	maximum	ADJ
eurjchem-2657	157	16	energy	energy	NOUN
eurjchem-2657	157	17	value	value	NOUN
eurjchem-2657	157	18	is	be	AUX
eurjchem-2657	157	19	42.3938	42.3938	NUM
eurjchem-2657	157	20	kcal	kcal	NOUN
eurjchem-2657	157	21	/	/	SYM
eurjchem-2657	157	22	mol	mol	PROPN
eurjchem-2657	157	23	.	.	PUNCT
eurjchem-2657	158	1	the	the	DET
eurjchem-2657	158	2	minimum	minimum	ADJ
eurjchem-2657	158	3	energies	energy	NOUN
eurjchem-2657	158	4	for	for	ADP
eurjchem-2657	158	5	tpb	tpb	NOUN
eurjchem-2657	158	6	in	in	ADP
eurjchem-2657	158	7	gas	gas	NOUN
eurjchem-2657	158	8	,	,	PUNCT
eurjchem-2657	158	9	n	n	CCONJ
eurjchem-2657	158	10	-	-	PUNCT
eurjchem-2657	158	11	octanol	octanol	NOUN
eurjchem-2657	158	12	,	,	PUNCT
eurjchem-2657	158	13	ethanol	ethanol	NOUN
eurjchem-2657	158	14	,	,	PUNCT
eurjchem-2657	158	15	and	and	CCONJ
eurjchem-2657	158	16	water	water	NOUN
eurjchem-2657	158	17	media	medium	NOUN
eurjchem-2657	158	18	are	be	AUX
eurjchem-2657	158	19	-36.20	-36.20	PUNCT
eurjchem-2657	158	20	,	,	PUNCT
eurjchem-2657	158	21	48.61	48.61	NUM
eurjchem-2657	158	22	,	,	PUNCT
eurjchem-2657	158	23	-51.43	-51.43	NOUN
eurjchem-2657	158	24	,	,	PUNCT
eurjchem-2657	158	25	and	and	CCONJ
eurjchem-2657	158	26	-52.94	-52.94	PROPN
eurjchem-2657	158	27	,	,	PUNCT
eurjchem-2657	158	28	respectively	respectively	ADV
eurjchem-2657	158	29	,	,	PUNCT
eurjchem-2657	158	30	indicating	indicate	VERB
eurjchem-2657	158	31	that	that	SCONJ
eurjchem-2657	158	32	the	the	DET
eurjchem-2657	158	33	increase	increase	NOUN
eurjchem-2657	158	34	of	of	ADP
eurjchem-2657	158	35	the	the	DET
eurjchem-2657	158	36	global	global	ADJ
eurjchem-2657	158	37	minimum	minimum	NOUN
eurjchem-2657	158	38	value	value	NOUN
eurjchem-2657	158	39	of	of	ADP
eurjchem-2657	158	40	the	the	DET
eurjchem-2657	158	41	dielectric	dielectric	ADJ
eurjchem-2657	158	42	constant	constant	ADJ
eurjchem-2657	158	43	increases	increase	NOUN
eurjchem-2657	158	44	as	as	ADP
eurjchem-2657	158	45	negative	negative	ADJ
eurjchem-2657	158	46	.	.	PUNCT
eurjchem-2657	159	1	global	global	ADJ
eurjchem-2657	159	2	maximum	maximum	ADJ
eurjchem-2657	159	3	energies	energy	NOUN
eurjchem-2657	159	4	of	of	ADP
eurjchem-2657	159	5	tpb	tpb	NOUN
eurjchem-2657	159	6	in	in	ADP
eurjchem-2657	159	7	gas	gas	NOUN
eurjchem-2657	159	8	,	,	PUNCT
eurjchem-2657	159	9	n	n	CCONJ
eurjchem-2657	159	10	-	-	PUNCT
eurjchem-2657	159	11	octanol	octanol	NOUN
eurjchem-2657	159	12	,	,	PUNCT
eurjchem-2657	159	13	ethanol	ethanol	NOUN
eurjchem-2657	159	14	,	,	PUNCT
eurjchem-2657	159	15	and	and	CCONJ
eurjchem-2657	159	16	water	water	NOUN
eurjchem-2657	159	17	media	medium	NOUN
eurjchem-2657	159	18	are	be	AUX
eurjchem-2657	159	19	42.39	42.39	NUM
eurjchem-2657	159	20	,	,	PUNCT
eurjchem-2657	159	21	49.08	49.08	NUM
eurjchem-2657	159	22	,	,	PUNCT
eurjchem-2657	159	23	49.95	49.95	NUM
eurjchem-2657	159	24	,	,	PUNCT
eurjchem-2657	159	25	and	and	CCONJ
eurjchem-2657	159	26	50.34	50.34	NUM
eurjchem-2657	159	27	kcal	kcal	NOUN
eurjchem-2657	159	28	/	/	SYM
eurjchem-2657	159	29	mol	mol	PROPN
eurjchem-2657	159	30	,	,	PUNCT
eurjchem-2657	159	31	respectively	respectively	ADV
eurjchem-2657	159	32	.	.	PUNCT
eurjchem-2657	160	1	figure	figure	NOUN
eurjchem-2657	160	2	4	4	NUM
eurjchem-2657	160	3	shows	show	VERB
eurjchem-2657	160	4	the	the	DET
eurjchem-2657	160	5	relationship	relationship	NOUN
eurjchem-2657	160	6	between	between	ADP
eurjchem-2657	160	7	the	the	DET
eurjchem-2657	160	8	heat	heat	NOUN
eurjchem-2657	160	9	capacity	capacity	NOUN
eurjchem-2657	160	10	,	,	PUNCT
eurjchem-2657	160	11	entropy	entropy	PROPN
eurjchem-2657	160	12	,	,	PUNCT
eurjchem-2657	160	13	enthalpy	enthalpy	NOUN
eurjchem-2657	160	14	and	and	CCONJ
eurjchem-2657	160	15	gibbs	gibbs	PROPN
eurjchem-2657	160	16	free	free	ADJ
eurjchem-2657	160	17	energy	energy	NOUN
eurjchem-2657	160	18	changes	change	NOUN
eurjchem-2657	160	19	calculated	calculate	VERB
eurjchem-2657	160	20	using	use	VERB
eurjchem-2657	160	21	frequency	frequency	NOUN
eurjchem-2657	160	22	calculations	calculation	NOUN
eurjchem-2657	160	23	at	at	ADP
eurjchem-2657	160	24	temperatures	temperature	NOUN
eurjchem-2657	160	25	ranging	range	VERB
eurjchem-2657	160	26	from	from	ADP
eurjchem-2657	160	27	200	200	NUM
eurjchem-2657	160	28	to	to	PART
eurjchem-2657	160	29	1000	1000	NUM
eurjchem-2657	160	30	k	k	NOUN
eurjchem-2657	160	31	at	at	ADP
eurjchem-2657	160	32	the	the	DET
eurjchem-2657	160	33	b3lyp/6	b3lyp/6	NOUN
eurjchem-2657	160	34	-	-	NOUN
eurjchem-2657	160	35	311g(d	311g(d	NUM
eurjchem-2657	160	36	,	,	PUNCT
eurjchem-2657	160	37	p	p	NOUN
eurjchem-2657	160	38	)	)	PUNCT
eurjchem-2657	160	39	level	level	NOUN
eurjchem-2657	160	40	and	and	CCONJ
eurjchem-2657	160	41	the	the	DET
eurjchem-2657	160	42	correlation	correlation	NOUN
eurjchem-2657	160	43	equations	equation	NOUN
eurjchem-2657	160	44	and	and	CCONJ
eurjchem-2657	160	45	fittings	fitting	NOUN
eurjchem-2657	160	46	fitted	fit	VERB
eurjchem-2657	160	47	to	to	ADP
eurjchem-2657	160	48	the	the	DET
eurjchem-2657	160	49	quadratic	quadratic	ADJ
eurjchem-2657	160	50	formula	formula	NOUN
eurjchem-2657	160	51	are	be	AUX
eurjchem-2657	160	52	depicted	depict	VERB
eurjchem-2657	160	53	in	in	ADP
eurjchem-2657	160	54	table	table	NOUN
eurjchem-2657	160	55	6	6	NUM
eurjchem-2657	160	56	for	for	ADP
eurjchem-2657	160	57	the	the	DET
eurjchem-2657	160	58	gas	gas	NOUN
eurjchem-2657	160	59	,	,	PUNCT
eurjchem-2657	160	60	n	n	CCONJ
eurjchem-2657	160	61	-	-	PUNCT
eurjchem-2657	160	62	octanol	octanol	NOUN
eurjchem-2657	160	63	,	,	PUNCT
eurjchem-2657	160	64	ethanol	ethanol	NOUN
eurjchem-2657	160	65	and	and	CCONJ
eurjchem-2657	160	66	water	water	NOUN
eurjchem-2657	160	67	phase	phase	NOUN
eurjchem-2657	160	68	.	.	PUNCT
eurjchem-2657	161	1	since	since	SCONJ
eurjchem-2657	161	2	the	the	DET
eurjchem-2657	161	3	intensity	intensity	NOUN
eurjchem-2657	161	4	of	of	ADP
eurjchem-2657	161	5	molecular	molecular	ADJ
eurjchem-2657	161	6	vibrations	vibration	NOUN
eurjchem-2657	161	7	increases	increase	NOUN
eurjchem-2657	161	8	with	with	ADP
eurjchem-2657	161	9	increasing	increase	VERB
eurjchem-2657	161	10	temperature	temperature	NOUN
eurjchem-2657	161	11	[	[	X
eurjchem-2657	161	12	29	29	NUM
eurjchem-2657	161	13	]	]	X
eurjchem-2657	161	14	,	,	PUNCT
eurjchem-2657	161	15	thermodynamic	thermodynamic	ADJ
eurjchem-2657	161	16	properties	property	NOUN
eurjchem-2657	161	17	such	such	ADJ
eurjchem-2657	161	18	as	as	ADP
eurjchem-2657	161	19	heat	heat	NOUN
eurjchem-2657	161	20	capacity	capacity	NOUN
eurjchem-2657	161	21	,	,	PUNCT
eurjchem-2657	161	22	entropy	entropy	PROPN
eurjchem-2657	161	23	,	,	PUNCT
eurjchem-2657	161	24	enthalpy	enthalpy	NOUN
eurjchem-2657	161	25	and	and	CCONJ
eurjchem-2657	161	26	gibbs	gibbs	PROPN
eurjchem-2657	161	27	free	free	ADJ
eurjchem-2657	161	28	energy	energy	NOUN
eurjchem-2657	161	29	changes	change	NOUN
eurjchem-2657	161	30	also	also	ADV
eurjchem-2657	161	31	increase	increase	VERB
eurjchem-2657	161	32	with	with	ADP
eurjchem-2657	161	33	temperature	temperature	NOUN
eurjchem-2657	161	34	.	.	PUNCT
eurjchem-2657	162	1	previous	previous	ADJ
eurjchem-2657	162	2	reports	report	NOUN
eurjchem-2657	162	3	have	have	AUX
eurjchem-2657	162	4	reported	report	VERB
eurjchem-2657	162	5	the	the	DET
eurjchem-2657	162	6	effect	effect	NOUN
eurjchem-2657	162	7	of	of	ADP
eurjchem-2657	162	8	temperature	temperature	NOUN
eurjchem-2657	162	9	variation	variation	NOUN
eurjchem-2657	162	10	on	on	ADP
eurjchem-2657	162	11	the	the	DET
eurjchem-2657	162	12	thermodynamic	thermodynamic	ADJ
eurjchem-2657	162	13	properties	property	NOUN
eurjchem-2657	162	14	of	of	ADP
eurjchem-2657	162	15	various	various	ADJ
eurjchem-2657	162	16	drugs	drug	NOUN
eurjchem-2657	162	17	,	,	PUNCT
eurjchem-2657	162	18	including	include	VERB
eurjchem-2657	162	19	ferulic	ferulic	ADJ
eurjchem-2657	162	20	acid	acid	NOUN
eurjchem-2657	163	1	[	[	X
eurjchem-2657	163	2	30	30	NUM
eurjchem-2657	163	3	]	]	PUNCT
eurjchem-2657	163	4	,	,	PUNCT
eurjchem-2657	163	5	ipriflavone	ipriflavone	NOUN
eurjchem-2657	164	1	[	[	X
eurjchem-2657	164	2	31	31	NUM
eurjchem-2657	164	3	]	]	PUNCT
eurjchem-2657	164	4	,	,	PUNCT
eurjchem-2657	164	5	sinapic	sinapic	ADV
eurjchem-2657	164	6	acid	acid	NOUN
eurjchem-2657	164	7	,	,	PUNCT
eurjchem-2657	164	8	and	and	CCONJ
eurjchem-2657	164	9	tinidazole	tinidazole	NOUN
eurjchem-2657	165	1	[	[	X
eurjchem-2657	165	2	32	32	NUM
eurjchem-2657	165	3	]	]	PUNCT
eurjchem-2657	165	4	.	.	PUNCT
eurjchem-2657	166	1	272	272	NUM
eurjchem-2657	166	2	tosun	tosun	NOUN
eurjchem-2657	166	3	and	and	CCONJ
eurjchem-2657	166	4	kandemirli	kandemirli	ADJ
eurjchem-2657	166	5	/	/	SYM
eurjchem-2657	166	6	european	european	ADJ
eurjchem-2657	166	7	journal	journal	PROPN
eurjchem-2657	166	8	of	of	ADP
eurjchem-2657	166	9	chemistry	chemistry	NOUN
eurjchem-2657	166	10	16	16	NUM
eurjchem-2657	166	11	(	(	PUNCT
eurjchem-2657	166	12	3	3	NUM
eurjchem-2657	166	13	)	)	PUNCT
eurjchem-2657	166	14	(	(	PUNCT
eurjchem-2657	166	15	2025	2025	NUM
eurjchem-2657	166	16	)	)	PUNCT
eurjchem-2657	166	17	267	267	NUM
eurjchem-2657	166	18	-	-	SYM
eurjchem-2657	166	19	274	274	NUM
eurjchem-2657	166	20	2025	2025	NUM
eurjchem-2657	166	21	–	–	PUNCT
eurjchem-2657	166	22	european	european	ADJ
eurjchem-2657	166	23	journal	journal	NOUN
eurjchem-2657	166	24	of	of	ADP
eurjchem-2657	166	25	chemistry	chemistry	NOUN
eurjchem-2657	166	26	–	–	PUNCT
eurjchem-2657	166	27	cc	cc	NOUN
eurjchem-2657	166	28	by	by	ADP
eurjchem-2657	166	29	nc	nc	PROPN
eurjchem-2657	166	30	–	–	PUNCT
eurjchem-2657	166	31	doi	doi	NOUN
eurjchem-2657	166	32	:	:	PUNCT
eurjchem-2657	166	33	10.5155	10.5155	NUM
eurjchem-2657	166	34	/	/	SYM
eurjchem-2657	166	35	eurjchem.16.3.267	eurjchem.16.3.267	NUM
eurjchem-2657	166	36	-	-	PUNCT
eurjchem-2657	166	37	274.2657	274.2657	NUM
eurjchem-2657	166	38	table	table	NOUN
eurjchem-2657	166	39	7	7	NUM
eurjchem-2657	166	40	.	.	PUNCT
eurjchem-2657	166	41	equation	equation	NOUN
eurjchem-2657	166	42	for	for	ADP
eurjchem-2657	166	43	heat	heat	NOUN
eurjchem-2657	166	44	capacity	capacity	NOUN
eurjchem-2657	166	45	(	(	PUNCT
eurjchem-2657	166	46	c	c	NOUN
eurjchem-2657	166	47	)	)	PUNCT
eurjchem-2657	166	48	,	,	PUNCT
eurjchem-2657	166	49	entropy	entropy	NOUN
eurjchem-2657	166	50	(	(	PUNCT
eurjchem-2657	166	51	s	s	NOUN
eurjchem-2657	166	52	)	)	PUNCT
eurjchem-2657	166	53	,	,	PUNCT
eurjchem-2657	166	54	enthalpy	enthalpy	NOUN
eurjchem-2657	166	55	(	(	PUNCT
eurjchem-2657	166	56	h	h	NOUN
eurjchem-2657	166	57	)	)	PUNCT
eurjchem-2657	166	58	,	,	PUNCT
eurjchem-2657	166	59	gibbs	gibbs	PROPN
eurjchem-2657	166	60	free	free	ADJ
eurjchem-2657	166	61	energy	energy	NOUN
eurjchem-2657	166	62	(	(	PUNCT
eurjchem-2657	166	63	g	g	NOUN
eurjchem-2657	166	64	)	)	PUNCT
eurjchem-2657	166	65	of	of	ADP
eurjchem-2657	166	66	tpb	tpb	NOUN
eurjchem-2657	166	67	.	.	PUNCT
eurjchem-2657	167	1	media	medium	NOUN
eurjchem-2657	167	2	equation	equation	NOUN
eurjchem-2657	167	3	*	*	PUNCT
eurjchem-2657	167	4	r²	r²	NOUN
eurjchem-2657	167	5	media	medium	NOUN
eurjchem-2657	167	6	equation	equation	NOUN
eurjchem-2657	167	7	*	*	PUNCT
eurjchem-2657	167	8	gas	gas	NOUN
eurjchem-2657	167	9	c	c	NOUN
eurjchem-2657	167	10	=	=	PUNCT
eurjchem-2657	168	1	-0.0002×t2	-0.0002×t2	PROPN
eurjchem-2657	169	1	+	+	CCONJ
eurjchem-2657	169	2	0.3906×t	0.3906×t	NUM
eurjchem-2657	169	3	10.684	10.684	NUM
eurjchem-2657	169	4	0.9992	0.9992	NUM
eurjchem-2657	169	5	ethanol	ethanol	NOUN
eurjchem-2657	169	6	c	c	NOUN
eurjchem-2657	169	7	=	=	PUNCT
eurjchem-2657	170	1	-0.0002×t2	-0.0002×t2	PROPN
eurjchem-2657	171	1	+	+	CCONJ
eurjchem-2657	171	2	0.3906×t	0.3906×t	NUM
eurjchem-2657	171	3	10.4870	10.4870	NUM
eurjchem-2657	171	4	s	s	NOUN
eurjchem-2657	171	5	=	=	NOUN
eurjchem-2657	171	6	0.00005×t2	0.00005×t2	PROPN
eurjchem-2657	172	1	+	+	NUM
eurjchem-2657	172	2	0.3583×t	0.3583×t	NOUN
eurjchem-2657	172	3	+	+	CCONJ
eurjchem-2657	172	4	57.418	57.418	NUM
eurjchem-2657	172	5	1	1	NUM
eurjchem-2657	172	6	s=	s=	NOUN
eurjchem-2657	172	7	0.00005×t2	0.00005×t2	PROPN
eurjchem-2657	172	8	+	+	CCONJ
eurjchem-2657	172	9	0.3591×t	0.3591×t	NUM
eurjchem-2657	173	1	+	+	SYM
eurjchem-2657	173	2	56.5680	56.5680	NUM
eurjchem-2657	173	3	h	h	NOUN
eurjchem-2657	173	4	=	=	PUNCT
eurjchem-2657	173	5	0.0001×t2	0.0001×t2	PROPN
eurjchem-2657	173	6	+	+	CCONJ
eurjchem-2657	173	7	0.0753×t	0.0753×t	NUM
eurjchem-2657	173	8	10.453	10.453	NUM
eurjchem-2657	173	9	0.9997	0.9997	NUM
eurjchem-2657	173	10	h	h	NOUN
eurjchem-2657	173	11	=	=	PUNCT
eurjchem-2657	173	12	0.0001×t2	0.0001×t2	PROPN
eurjchem-2657	174	1	+	+	CCONJ
eurjchem-2657	174	2	0.0753×t	0.0753×t	NUM
eurjchem-2657	174	3	10.453	10.453	NUM
eurjchem-2657	174	4	g	g	NOUN
eurjchem-2657	174	5	=	=	SYM
eurjchem-2657	174	6	-0.0002×t2	-0.0002×t2	ADJ
eurjchem-2657	174	7	0.1213×t	0.1213×t	NOUN
eurjchem-2657	175	1	+	+	CCONJ
eurjchem-2657	175	2	7.0848	7.0848	NUM
eurjchem-2657	175	3	1	1	NUM
eurjchem-2657	175	4	g	g	NOUN
eurjchem-2657	175	5	=	=	SYM
eurjchem-2657	175	6	-0.0002×t2	-0.0002×t2	PROPN
eurjchem-2657	175	7	0.1213×t	0.1213×t	NOUN
eurjchem-2657	176	1	+	+	CCONJ
eurjchem-2657	176	2	7.0848	7.0848	NUM
eurjchem-2657	176	3	n	n	CCONJ
eurjchem-2657	176	4	-	-	PUNCT
eurjchem-2657	176	5	octanol	octanol	NOUN
eurjchem-2657	176	6	c	c	NOUN
eurjchem-2657	176	7	=	=	PUNCT
eurjchem-2657	177	1	-0.0002×t2	-0.0002×t2	PROPN
eurjchem-2657	178	1	+	+	CCONJ
eurjchem-2657	178	2	0.3906×t	0.3906×t	NUM
eurjchem-2657	178	3	10.566	10.566	NUM
eurjchem-2657	178	4	0.9992	0.9992	NUM
eurjchem-2657	178	5	water	water	NOUN
eurjchem-2657	178	6	c	c	NOUN
eurjchem-2657	178	7	=	=	PUNCT
eurjchem-2657	179	1	-0.0002×t2	-0.0002×t2	PROPN
eurjchem-2657	180	1	+	+	CCONJ
eurjchem-2657	180	2	0.3906×t	0.3906×t	NOUN
eurjchem-2657	180	3	10.4900	10.4900	NUM
eurjchem-2657	180	4	s	s	NOUN
eurjchem-2657	180	5	=	=	NOUN
eurjchem-2657	180	6	0.00005×t2	0.00005×t2	PROPN
eurjchem-2657	180	7	+	+	SYM
eurjchem-2657	180	8	0.3588×t	0.3588×t	NUM
eurjchem-2657	181	1	+	+	CCONJ
eurjchem-2657	181	2	56.452	56.452	NUM
eurjchem-2657	181	3	1	1	NUM
eurjchem-2657	181	4	s=	s=	NOUN
eurjchem-2657	181	5	0.00005×t2	0.00005×t2	PROPN
eurjchem-2657	181	6	+	+	CCONJ
eurjchem-2657	181	7	0.3591×t	0.3591×t	NOUN
eurjchem-2657	182	1	+	+	CCONJ
eurjchem-2657	182	2	55.9770	55.9770	NUM
eurjchem-2657	182	3	h	h	NOUN
eurjchem-2657	182	4	=	=	PUNCT
eurjchem-2657	182	5	0.0001×t2	0.0001×t2	PROPN
eurjchem-2657	182	6	+	+	CCONJ
eurjchem-2657	182	7	0.0753×t	0.0753×t	NUM
eurjchem-2657	182	8	10.453	10.453	NUM
eurjchem-2657	182	9	0.9997	0.9997	NUM
eurjchem-2657	182	10	h	h	NOUN
eurjchem-2657	182	11	=	=	PUNCT
eurjchem-2657	182	12	0.0001×t2	0.0001×t2	PROPN
eurjchem-2657	183	1	+	+	CCONJ
eurjchem-2657	183	2	0.0753×t	0.0753×t	NUM
eurjchem-2657	183	3	10.4530	10.4530	NUM
eurjchem-2657	183	4	g	g	NOUN
eurjchem-2657	183	5	=	=	SYM
eurjchem-2657	184	1	-0.0002×t2	-0.0002×t2	PROPN
eurjchem-2657	184	2	0.1213×t	0.1213×t	NOUN
eurjchem-2657	185	1	+	+	CCONJ
eurjchem-2657	185	2	7.0848	7.0848	NUM
eurjchem-2657	185	3	1	1	NUM
eurjchem-2657	185	4	g	g	NOUN
eurjchem-2657	185	5	=	=	SYM
eurjchem-2657	185	6	-0.0002×t2	-0.0002×t2	PROPN
eurjchem-2657	185	7	0.1213×t	0.1213×t	NOUN
eurjchem-2657	186	1	+	+	CCONJ
eurjchem-2657	186	2	7.0848	7.0848	NUM
eurjchem-2657	186	3	*	*	PUNCT
eurjchem-2657	186	4	heat	heat	NOUN
eurjchem-2657	186	5	capacity	capacity	NOUN
eurjchem-2657	186	6	(	(	PUNCT
eurjchem-2657	186	7	c	c	NOUN
eurjchem-2657	186	8	)	)	PUNCT
eurjchem-2657	186	9	,	,	PUNCT
eurjchem-2657	186	10	entropy	entropy	NOUN
eurjchem-2657	186	11	(	(	PUNCT
eurjchem-2657	186	12	s	s	NOUN
eurjchem-2657	186	13	)	)	PUNCT
eurjchem-2657	186	14	,	,	PUNCT
eurjchem-2657	186	15	enthalpy	enthalpy	NOUN
eurjchem-2657	186	16	(	(	PUNCT
eurjchem-2657	186	17	h	h	NOUN
eurjchem-2657	186	18	)	)	PUNCT
eurjchem-2657	186	19	,	,	PUNCT
eurjchem-2657	186	20	gibbs	gibbs	PROPN
eurjchem-2657	186	21	free	free	ADJ
eurjchem-2657	186	22	energy	energy	NOUN
eurjchem-2657	186	23	(	(	PUNCT
eurjchem-2657	186	24	g	g	NOUN
eurjchem-2657	186	25	)	)	PUNCT
eurjchem-2657	186	26	.	.	PUNCT
eurjchem-2657	187	1	(	(	PUNCT
eurjchem-2657	187	2	a	a	X
eurjchem-2657	187	3	)	)	PUNCT
eurjchem-2657	187	4	gas	gas	NOUN
eurjchem-2657	187	5	phase	phase	NOUN
eurjchem-2657	187	6	(	(	PUNCT
eurjchem-2657	187	7	b	b	NOUN
eurjchem-2657	187	8	)	)	PUNCT
eurjchem-2657	187	9	n	n	CCONJ
eurjchem-2657	187	10	-	-	PUNCT
eurjchem-2657	187	11	octanol	octanol	NOUN
eurjchem-2657	187	12	(	(	PUNCT
eurjchem-2657	187	13	c	c	NOUN
eurjchem-2657	187	14	)	)	PUNCT
eurjchem-2657	187	15	ethanol	ethanol	NOUN
eurjchem-2657	187	16	(	(	PUNCT
eurjchem-2657	187	17	d	d	NOUN
eurjchem-2657	187	18	)	)	PUNCT
eurjchem-2657	187	19	water	water	NOUN
eurjchem-2657	187	20	figure	figure	NOUN
eurjchem-2657	187	21	4	4	NUM
eurjchem-2657	187	22	.	.	PUNCT
eurjchem-2657	188	1	the	the	DET
eurjchem-2657	188	2	correlation	correlation	NOUN
eurjchem-2657	188	3	graphs	graph	NOUN
eurjchem-2657	188	4	between	between	ADP
eurjchem-2657	188	5	various	various	ADJ
eurjchem-2657	188	6	temperature	temperature	NOUN
eurjchem-2657	188	7	versus	versus	ADP
eurjchem-2657	188	8	heat	heat	NOUN
eurjchem-2657	188	9	capacity	capacity	NOUN
eurjchem-2657	188	10	(	(	PUNCT
eurjchem-2657	188	11	c	c	NOUN
eurjchem-2657	188	12	)	)	PUNCT
eurjchem-2657	188	13	,	,	PUNCT
eurjchem-2657	188	14	entropy	entropy	NOUN
eurjchem-2657	188	15	(	(	PUNCT
eurjchem-2657	188	16	s	s	NOUN
eurjchem-2657	188	17	)	)	PUNCT
eurjchem-2657	188	18	,	,	PUNCT
eurjchem-2657	188	19	enthalpy	enthalpy	NOUN
eurjchem-2657	188	20	(	(	PUNCT
eurjchem-2657	188	21	h	h	NOUN
eurjchem-2657	188	22	)	)	PUNCT
eurjchem-2657	188	23	,	,	PUNCT
eurjchem-2657	188	24	gibbs	gibbs	PROPN
eurjchem-2657	188	25	free	free	ADJ
eurjchem-2657	188	26	energy	energy	NOUN
eurjchem-2657	188	27	(	(	PUNCT
eurjchem-2657	188	28	g	g	NOUN
eurjchem-2657	188	29	)	)	PUNCT
eurjchem-2657	188	30	of	of	ADP
eurjchem-2657	188	31	the	the	DET
eurjchem-2657	188	32	title	title	NOUN
eurjchem-2657	188	33	compound	compound	NOUN
eurjchem-2657	188	34	in	in	ADP
eurjchem-2657	188	35	(	(	PUNCT
eurjchem-2657	188	36	a	a	PRON
eurjchem-2657	188	37	)	)	PUNCT
eurjchem-2657	188	38	gas	gas	NOUN
eurjchem-2657	188	39	,	,	PUNCT
eurjchem-2657	188	40	(	(	PUNCT
eurjchem-2657	188	41	b	b	NOUN
eurjchem-2657	188	42	)	)	PUNCT
eurjchem-2657	188	43	n	n	CCONJ
eurjchem-2657	188	44	-	-	PUNCT
eurjchem-2657	188	45	octanol	octanol	NOUN
eurjchem-2657	188	46	,	,	PUNCT
eurjchem-2657	188	47	(	(	PUNCT
eurjchem-2657	188	48	c	c	NOUN
eurjchem-2657	188	49	)	)	PUNCT
eurjchem-2657	188	50	ethanol	ethanol	NOUN
eurjchem-2657	188	51	,	,	PUNCT
eurjchem-2657	188	52	and	and	CCONJ
eurjchem-2657	188	53	(	(	PUNCT
eurjchem-2657	188	54	d	d	NOUN
eurjchem-2657	188	55	)	)	PUNCT
eurjchem-2657	188	56	water	water	NOUN
eurjchem-2657	188	57	phase	phase	NOUN
eurjchem-2657	188	58	.	.	PUNCT
eurjchem-2657	189	1	the	the	DET
eurjchem-2657	189	2	relationship	relationship	NOUN
eurjchem-2657	189	3	between	between	ADP
eurjchem-2657	189	4	temperature	temperature	NOUN
eurjchem-2657	189	5	and	and	CCONJ
eurjchem-2657	189	6	thermodynamic	thermodynamic	ADJ
eurjchem-2657	189	7	properties	property	NOUN
eurjchem-2657	189	8	is	be	AUX
eurjchem-2657	189	9	modelled	model	VERB
eurjchem-2657	189	10	using	use	VERB
eurjchem-2657	189	11	a	a	DET
eurjchem-2657	189	12	quadratic	quadratic	ADJ
eurjchem-2657	189	13	equation	equation	NOUN
eurjchem-2657	189	14	,	,	PUNCT
eurjchem-2657	189	15	yielding	yield	VERB
eurjchem-2657	189	16	table	table	NOUN
eurjchem-2657	189	17	7	7	NUM
eurjchem-2657	189	18	,	,	PUNCT
eurjchem-2657	189	19	which	which	PRON
eurjchem-2657	189	20	shows	show	VERB
eurjchem-2657	189	21	high	high	ADJ
eurjchem-2657	189	22	correlation	correlation	NOUN
eurjchem-2657	189	23	coefficients	coefficient	NOUN
eurjchem-2657	189	24	for	for	ADP
eurjchem-2657	189	25	the	the	DET
eurjchem-2657	189	26	gas	gas	NOUN
eurjchem-2657	189	27	phase	phase	NOUN
eurjchem-2657	189	28	and	and	CCONJ
eurjchem-2657	189	29	solvent	solvent	ADJ
eurjchem-2657	189	30	phases	phase	NOUN
eurjchem-2657	189	31	including	include	VERB
eurjchem-2657	189	32	n	n	CCONJ
eurjchem-2657	189	33	-	-	PUNCT
eurjchem-2657	189	34	octanol	octanol	NOUN
eurjchem-2657	189	35	,	,	PUNCT
eurjchem-2657	189	36	ethanol	ethanol	NOUN
eurjchem-2657	189	37	,	,	PUNCT
eurjchem-2657	189	38	and	and	CCONJ
eurjchem-2657	189	39	water	water	NOUN
eurjchem-2657	189	40	.	.	PUNCT
eurjchem-2657	190	1	these	these	DET
eurjchem-2657	190	2	equations	equation	NOUN
eurjchem-2657	190	3	will	will	AUX
eurjchem-2657	190	4	be	be	AUX
eurjchem-2657	190	5	helpful	helpful	ADJ
eurjchem-2657	190	6	for	for	ADP
eurjchem-2657	190	7	further	further	ADJ
eurjchem-2657	190	8	studies	study	NOUN
eurjchem-2657	190	9	of	of	ADP
eurjchem-2657	190	10	the	the	DET
eurjchem-2657	190	11	title	title	NOUN
eurjchem-2657	190	12	compound	compound	NOUN
eurjchem-2657	190	13	.	.	PUNCT
eurjchem-2657	191	1	the	the	DET
eurjchem-2657	191	2	heat	heat	NOUN
eurjchem-2657	191	3	capacity	capacity	NOUN
eurjchem-2657	191	4	in	in	ADP
eurjchem-2657	191	5	the	the	DET
eurjchem-2657	191	6	octanol	octanol	NOUN
eurjchem-2657	191	7	phase	phase	NOUN
eurjchem-2657	191	8	increased	increase	VERB
eurjchem-2657	191	9	by	by	ADP
eurjchem-2657	191	10	0.22082	0.22082	NUM
eurjchem-2657	191	11	%	%	NOUN
eurjchem-2657	191	12	at	at	ADP
eurjchem-2657	191	13	200	200	NUM
eurjchem-2657	191	14	k	k	NOUN
eurjchem-2657	191	15	compared	compare	VERB
eurjchem-2657	191	16	to	to	ADP
eurjchem-2657	191	17	the	the	DET
eurjchem-2657	191	18	gas	gas	NOUN
eurjchem-2657	191	19	phase	phase	NOUN
eurjchem-2657	191	20	and	and	CCONJ
eurjchem-2657	191	21	by	by	ADP
eurjchem-2657	191	22	0.03173	0.03173	NUM
eurjchem-2657	191	23	%	%	NOUN
eurjchem-2657	191	24	at	at	ADP
eurjchem-2657	191	25	1000	1000	NUM
eurjchem-2657	191	26	k.	k.	NOUN
eurjchem-2657	191	27	equations	equation	NOUN
eurjchem-2657	191	28	for	for	ADP
eurjchem-2657	191	29	heat	heat	NOUN
eurjchem-2657	191	30	capacity	capacity	NOUN
eurjchem-2657	191	31	(	(	PUNCT
eurjchem-2657	191	32	c	c	NOUN
eurjchem-2657	191	33	)	)	PUNCT
eurjchem-2657	191	34	,	,	PUNCT
eurjchem-2657	191	35	entropy	entropy	NOUN
eurjchem-2657	191	36	(	(	PUNCT
eurjchem-2657	191	37	s	s	NOUN
eurjchem-2657	191	38	)	)	PUNCT
eurjchem-2657	191	39	,	,	PUNCT
eurjchem-2657	191	40	enthalpy	enthalpy	NOUN
eurjchem-2657	191	41	(	(	PUNCT
eurjchem-2657	191	42	h	h	NOUN
eurjchem-2657	191	43	)	)	PUNCT
eurjchem-2657	191	44	,	,	PUNCT
eurjchem-2657	191	45	gibbs	gibbs	PROPN
eurjchem-2657	191	46	free	free	ADJ
eurjchem-2657	191	47	energy	energy	NOUN
eurjchem-2657	191	48	(	(	PUNCT
eurjchem-2657	191	49	g	g	NOUN
eurjchem-2657	191	50	)	)	PUNCT
eurjchem-2657	191	51	of	of	ADP
eurjchem-2657	191	52	tpb	tpb	NOUN
eurjchem-2657	191	53	are	be	AUX
eurjchem-2657	191	54	given	give	VERB
eurjchem-2657	191	55	in	in	ADP
eurjchem-2657	191	56	figure	figure	NOUN
eurjchem-2657	191	57	4	4	NUM
eurjchem-2657	191	58	.	.	PUNCT
eurjchem-2657	191	59	as	as	SCONJ
eurjchem-2657	191	60	seen	see	VERB
eurjchem-2657	191	61	in	in	ADP
eurjchem-2657	191	62	table	table	NOUN
eurjchem-2657	191	63	7	7	NUM
eurjchem-2657	191	64	,	,	PUNCT
eurjchem-2657	191	65	the	the	DET
eurjchem-2657	191	66	heat	heat	NOUN
eurjchem-2657	191	67	capacity	capacity	NOUN
eurjchem-2657	191	68	equations	equation	NOUN
eurjchem-2657	191	69	for	for	ADP
eurjchem-2657	191	70	the	the	DET
eurjchem-2657	191	71	gas	gas	NOUN
eurjchem-2657	191	72	and	and	CCONJ
eurjchem-2657	191	73	solvent	solvent	ADJ
eurjchem-2657	191	74	phases	phase	NOUN
eurjchem-2657	191	75	are	be	AUX
eurjchem-2657	191	76	identical	identical	ADJ
eurjchem-2657	191	77	in	in	ADP
eurjchem-2657	191	78	their	their	PRON
eurjchem-2657	191	79	quadratic	quadratic	ADJ
eurjchem-2657	191	80	and	and	CCONJ
eurjchem-2657	191	81	linear	linear	ADJ
eurjchem-2657	191	82	terms	term	NOUN
eurjchem-2657	191	83	,	,	PUNCT
eurjchem-2657	191	84	differing	differ	VERB
eurjchem-2657	191	85	only	only	ADV
eurjchem-2657	191	86	slightly	slightly	ADV
eurjchem-2657	191	87	in	in	ADP
eurjchem-2657	191	88	their	their	PRON
eurjchem-2657	191	89	constants	constant	NOUN
eurjchem-2657	191	90	.	.	PUNCT
eurjchem-2657	192	1	due	due	ADP
eurjchem-2657	192	2	to	to	ADP
eurjchem-2657	192	3	the	the	DET
eurjchem-2657	192	4	negative	negative	ADJ
eurjchem-2657	192	5	quadratic	quadratic	ADJ
eurjchem-2657	192	6	term	term	NOUN
eurjchem-2657	192	7	,	,	PUNCT
eurjchem-2657	192	8	the	the	DET
eurjchem-2657	192	9	heat	heat	NOUN
eurjchem-2657	192	10	capacity	capacity	NOUN
eurjchem-2657	192	11	in	in	ADP
eurjchem-2657	192	12	both	both	DET
eurjchem-2657	192	13	phases	phase	NOUN
eurjchem-2657	192	14	decreases	decrease	VERB
eurjchem-2657	192	15	at	at	ADP
eurjchem-2657	192	16	very	very	ADV
eurjchem-2657	192	17	low	low	ADJ
eurjchem-2657	192	18	temperatures	temperature	NOUN
eurjchem-2657	192	19	.	.	PUNCT
eurjchem-2657	193	1	the	the	DET
eurjchem-2657	193	2	entropy	entropy	NOUN
eurjchem-2657	193	3	equation	equation	NOUN
eurjchem-2657	193	4	for	for	ADP
eurjchem-2657	193	5	the	the	DET
eurjchem-2657	193	6	gas	gas	NOUN
eurjchem-2657	193	7	phase	phase	NOUN
eurjchem-2657	193	8	is	be	AUX
eurjchem-2657	193	9	s	s	NOUN
eurjchem-2657	193	10	=	=	NOUN
eurjchem-2657	193	11	0.00005×t2	0.00005×t2	PROPN
eurjchem-2657	194	1	+	+	NUM
eurjchem-2657	194	2	0.3583×t	0.3583×t	NOUN
eurjchem-2657	194	3	+	+	CCONJ
eurjchem-2657	194	4	57.418	57.418	NUM
eurjchem-2657	194	5	.	.	PUNCT
eurjchem-2657	195	1	in	in	ADP
eurjchem-2657	195	2	the	the	DET
eurjchem-2657	195	3	equations	equation	NOUN
eurjchem-2657	195	4	for	for	ADP
eurjchem-2657	195	5	the	the	DET
eurjchem-2657	195	6	solvent	solvent	NOUN
eurjchem-2657	195	7	phase	phase	NOUN
eurjchem-2657	195	8	,	,	PUNCT
eurjchem-2657	195	9	the	the	DET
eurjchem-2657	195	10	quadratic	quadratic	ADJ
eurjchem-2657	195	11	and	and	CCONJ
eurjchem-2657	195	12	linear	linear	ADJ
eurjchem-2657	195	13	terms	term	NOUN
eurjchem-2657	195	14	are	be	AUX
eurjchem-2657	195	15	identical	identical	ADJ
eurjchem-2657	195	16	,	,	PUNCT
eurjchem-2657	195	17	the	the	DET
eurjchem-2657	195	18	constant	constant	ADJ
eurjchem-2657	195	19	term	term	NOUN
eurjchem-2657	195	20	is	be	AUX
eurjchem-2657	195	21	different	different	ADJ
eurjchem-2657	195	22	.	.	PUNCT
eurjchem-2657	196	1	because	because	SCONJ
eurjchem-2657	196	2	of	of	ADP
eurjchem-2657	196	3	the	the	DET
eurjchem-2657	196	4	positive	positive	ADJ
eurjchem-2657	196	5	linear	linear	ADJ
eurjchem-2657	196	6	term	term	NOUN
eurjchem-2657	196	7	,	,	PUNCT
eurjchem-2657	196	8	the	the	DET
eurjchem-2657	196	9	entropy	entropy	NOUN
eurjchem-2657	196	10	increases	increase	VERB
eurjchem-2657	196	11	with	with	ADP
eurjchem-2657	196	12	temperature	temperature	NOUN
eurjchem-2657	196	13	and	and	CCONJ
eurjchem-2657	196	14	because	because	SCONJ
eurjchem-2657	196	15	of	of	ADP
eurjchem-2657	196	16	small	small	ADJ
eurjchem-2657	196	17	differences	difference	NOUN
eurjchem-2657	196	18	in	in	ADP
eurjchem-2657	196	19	the	the	DET
eurjchem-2657	196	20	constant	constant	ADJ
eurjchem-2657	196	21	,	,	PUNCT
eurjchem-2657	196	22	there	there	PRON
eurjchem-2657	196	23	are	be	VERB
eurjchem-2657	196	24	slight	slight	ADJ
eurjchem-2657	196	25	differences	difference	NOUN
eurjchem-2657	196	26	in	in	ADP
eurjchem-2657	196	27	the	the	DET
eurjchem-2657	196	28	gas	gas	NOUN
eurjchem-2657	196	29	,	,	PUNCT
eurjchem-2657	196	30	n	n	CCONJ
eurjchem-2657	196	31	-	-	PUNCT
eurjchem-2657	196	32	octanol	octanol	NOUN
eurjchem-2657	196	33	,	,	PUNCT
eurjchem-2657	196	34	ethanol	ethanol	NOUN
eurjchem-2657	196	35	and	and	CCONJ
eurjchem-2657	196	36	water	water	NOUN
eurjchem-2657	196	37	phases	phase	NOUN
eurjchem-2657	196	38	.	.	PUNCT
eurjchem-2657	197	1	because	because	SCONJ
eurjchem-2657	197	2	gibbs	gibbs	PROPN
eurjchem-2657	197	3	free	free	ADJ
eurjchem-2657	197	4	energy	energy	NOUN
eurjchem-2657	197	5	decreases	decrease	VERB
eurjchem-2657	197	6	with	with	ADP
eurjchem-2657	197	7	increasing	increase	VERB
eurjchem-2657	197	8	temperature	temperature	NOUN
eurjchem-2657	197	9	due	due	ADP
eurjchem-2657	197	10	to	to	ADP
eurjchem-2657	197	11	the	the	DET
eurjchem-2657	197	12	negative	negative	ADJ
eurjchem-2657	197	13	terms	term	NOUN
eurjchem-2657	197	14	in	in	ADP
eurjchem-2657	197	15	the	the	DET
eurjchem-2657	197	16	equation	equation	NOUN
eurjchem-2657	197	17	,	,	PUNCT
eurjchem-2657	197	18	this	this	PRON
eurjchem-2657	197	19	means	mean	VERB
eurjchem-2657	197	20	that	that	SCONJ
eurjchem-2657	197	21	,	,	PUNCT
eurjchem-2657	197	22	at	at	ADP
eurjchem-2657	197	23	high	high	ADJ
eurjchem-2657	197	24	temperatures	temperature	NOUN
eurjchem-2657	197	25	,	,	PUNCT
eurjchem-2657	197	26	the	the	DET
eurjchem-2657	197	27	thermodynamic	thermodynamic	ADJ
eurjchem-2657	197	28	spontaneity	spontaneity	NOUN
eurjchem-2657	197	29	of	of	ADP
eurjchem-2657	197	30	reactions	reaction	NOUN
eurjchem-2657	197	31	involving	involve	VERB
eurjchem-2657	197	32	these	these	DET
eurjchem-2657	197	33	solvent	solvent	ADJ
eurjchem-2657	197	34	increases	increase	NOUN
eurjchem-2657	197	35	.	.	PUNCT
eurjchem-2657	198	1	4	4	X
eurjchem-2657	198	2	.	.	X
eurjchem-2657	198	3	conclusions	conclusion	NOUN
eurjchem-2657	198	4	in	in	ADP
eurjchem-2657	198	5	this	this	DET
eurjchem-2657	198	6	study	study	NOUN
eurjchem-2657	198	7	,	,	PUNCT
eurjchem-2657	198	8	quantum	quantum	ADJ
eurjchem-2657	198	9	chemistry	chemistry	NOUN
eurjchem-2657	198	10	calculations	calculation	NOUN
eurjchem-2657	198	11	are	be	AUX
eurjchem-2657	198	12	performed	perform	VERB
eurjchem-2657	198	13	at	at	ADP
eurjchem-2657	198	14	the	the	DET
eurjchem-2657	198	15	b3lyp/6	b3lyp/6	PROPN
eurjchem-2657	198	16	311g(d	311g(d	NUM
eurjchem-2657	198	17	,	,	PUNCT
eurjchem-2657	198	18	p	p	NOUN
eurjchem-2657	198	19	)	)	PUNCT
eurjchem-2657	198	20	level	level	NOUN
eurjchem-2657	198	21	of	of	ADP
eurjchem-2657	198	22	theory	theory	NOUN
eurjchem-2657	198	23	to	to	PART
eurjchem-2657	198	24	investigate	investigate	VERB
eurjchem-2657	198	25	the	the	DET
eurjchem-2657	198	26	effect	effect	NOUN
eurjchem-2657	198	27	of	of	ADP
eurjchem-2657	198	28	the	the	DET
eurjchem-2657	198	29	solvents	solvent	NOUN
eurjchem-2657	198	30	studied	study	VERB
eurjchem-2657	198	31	on	on	ADP
eurjchem-2657	198	32	the	the	DET
eurjchem-2657	198	33	stability	stability	NOUN
eurjchem-2657	198	34	order	order	NOUN
eurjchem-2657	198	35	and	and	CCONJ
eurjchem-2657	198	36	aromaticity	aromaticity	NOUN
eurjchem-2657	198	37	related	relate	VERB
eurjchem-2657	198	38	to	to	ADP
eurjchem-2657	198	39	the	the	DET
eurjchem-2657	198	40	homa	homa	PROPN
eurjchem-2657	198	41	index	index	NOUN
eurjchem-2657	198	42	.	.	PUNCT
eurjchem-2657	199	1	the	the	DET
eurjchem-2657	199	2	energies	energy	NOUN
eurjchem-2657	199	3	of	of	ADP
eurjchem-2657	199	4	the	the	DET
eurjchem-2657	199	5	highest	high	ADJ
eurjchem-2657	199	6	energy	energy	NOUN
eurjchem-2657	199	7	occupied	occupy	VERB
eurjchem-2657	199	8	molecular	molecular	ADJ
eurjchem-2657	199	9	orbital	orbital	ADJ
eurjchem-2657	199	10	(	(	PUNCT
eurjchem-2657	199	11	ehomo	ehomo	ADJ
eurjchem-2657	199	12	)	)	PUNCT
eurjchem-2657	199	13	and	and	CCONJ
eurjchem-2657	199	14	lowest	low	ADJ
eurjchem-2657	199	15	energy	energy	NOUN
eurjchem-2657	199	16	unoccupied	unoccupie	VERB
eurjchem-2657	199	17	molecular	molecular	ADJ
eurjchem-2657	199	18	orbital	orbital	NOUN
eurjchem-2657	199	19	(	(	PUNCT
eurjchem-2657	199	20	elumo	elumo	ADJ
eurjchem-2657	199	21	)	)	PUNCT
eurjchem-2657	199	22	and	and	CCONJ
eurjchem-2657	199	23	energy	energy	NOUN
eurjchem-2657	199	24	gaps	gap	NOUN
eurjchem-2657	199	25	∆e	∆e	PROPN
eurjchem-2657	199	26	were	be	AUX
eurjchem-2657	199	27	also	also	ADV
eurjchem-2657	199	28	performed	perform	VERB
eurjchem-2657	199	29	.	.	PUNCT
eurjchem-2657	200	1	our	our	PRON
eurjchem-2657	200	2	theoretical	theoretical	ADJ
eurjchem-2657	200	3	results	result	NOUN
eurjchem-2657	200	4	reveal	reveal	VERB
eurjchem-2657	200	5	that	that	SCONJ
eurjchem-2657	200	6	the	the	DET
eurjchem-2657	200	7	energy	energy	NOUN
eurjchem-2657	200	8	gap	gap	NOUN
eurjchem-2657	200	9	and	and	CCONJ
eurjchem-2657	200	10	hardness	hardness	NOUN
eurjchem-2657	200	11	of	of	ADP
eurjchem-2657	200	12	the	the	DET
eurjchem-2657	200	13	studied	study	VERB
eurjchem-2657	200	14	complex	complex	ADJ
eurjchem-2657	200	15	increase	increase	NOUN
eurjchem-2657	200	16	with	with	ADP
eurjchem-2657	200	17	the	the	DET
eurjchem-2657	200	18	increase	increase	NOUN
eurjchem-2657	200	19	in	in	ADP
eurjchem-2657	200	20	the	the	DET
eurjchem-2657	200	21	dielectric	dielectric	ADJ
eurjchem-2657	200	22	constant	constant	NOUN
eurjchem-2657	200	23	of	of	ADP
eurjchem-2657	200	24	the	the	DET
eurjchem-2657	200	25	solvent	solvent	NOUN
eurjchem-2657	200	26	.	.	PUNCT
eurjchem-2657	201	1	this	this	DET
eurjchem-2657	201	2	study	study	NOUN
eurjchem-2657	201	3	comprehensively	comprehensively	ADV
eurjchem-2657	201	4	investigated	investigate	VERB
eurjchem-2657	201	5	the	the	DET
eurjchem-2657	201	6	aromaticity	aromaticity	NOUN
eurjchem-2657	201	7	,	,	PUNCT
eurjchem-2657	201	8	electronic	electronic	ADJ
eurjchem-2657	201	9	structure	structure	NOUN
eurjchem-2657	201	10	,	,	PUNCT
eurjchem-2657	201	11	and	and	CCONJ
eurjchem-2657	201	12	surface	surface	NOUN
eurjchem-2657	201	13	properties	property	NOUN
eurjchem-2657	201	14	of	of	ADP
eurjchem-2657	201	15	tpb	tpb	NOUN
eurjchem-2657	201	16	in	in	ADP
eurjchem-2657	201	17	different	different	ADJ
eurjchem-2657	201	18	solvent	solvent	ADJ
eurjchem-2657	201	19	environments	environment	NOUN
eurjchem-2657	201	20	.	.	PUNCT
eurjchem-2657	202	1	the	the	DET
eurjchem-2657	202	2	results	result	NOUN
eurjchem-2657	202	3	show	show	VERB
eurjchem-2657	202	4	that	that	SCONJ
eurjchem-2657	202	5	the	the	DET
eurjchem-2657	202	6	pyrimidine	pyrimidine	NOUN
eurjchem-2657	202	7	ring	ring	NOUN
eurjchem-2657	202	8	retains	retain	VERB
eurjchem-2657	202	9	high	high	ADJ
eurjchem-2657	202	10	aromaticity	aromaticity	NOUN
eurjchem-2657	202	11	in	in	ADP
eurjchem-2657	202	12	all	all	DET
eurjchem-2657	202	13	phases	phase	NOUN
eurjchem-2657	202	14	even	even	ADV
eurjchem-2657	202	15	with	with	ADP
eurjchem-2657	202	16	minimal	minimal	ADJ
eurjchem-2657	202	17	distortions	distortion	NOUN
eurjchem-2657	202	18	due	due	ADP
eurjchem-2657	202	19	to	to	ADP
eurjchem-2657	202	20	scriber	scriber	PROPN
eurjchem-2657	202	21	interaction	interaction	NOUN
eurjchem-2657	202	22	,	,	PUNCT
eurjchem-2657	202	23	while	while	SCONJ
eurjchem-2657	202	24	the	the	DET
eurjchem-2657	202	25	benzene	benzene	NOUN
eurjchem-2657	202	26	ring	ring	NOUN
eurjchem-2657	202	27	exhibits	exhibit	VERB
eurjchem-2657	202	28	increased	increase	VERB
eurjchem-2657	202	29	aromaticity	aromaticity	NOUN
eurjchem-2657	202	30	in	in	ADP
eurjchem-2657	202	31	polar	polar	ADJ
eurjchem-2657	202	32	solvents	solvent	NOUN
eurjchem-2657	202	33	.	.	PUNCT
eurjchem-2657	203	1	according	accord	VERB
eurjchem-2657	203	2	to	to	ADP
eurjchem-2657	203	3	the	the	DET
eurjchem-2657	203	4	homo	homo	NOUN
eurjchem-2657	203	5	-	-	PUNCT
eurjchem-2657	203	6	lumo	lumo	NOUN
eurjchem-2657	203	7	vacancy	vacancy	NOUN
eurjchem-2657	203	8	analysis	analysis	NOUN
eurjchem-2657	203	9	,	,	PUNCT
eurjchem-2657	203	10	tpb	tpb	NOUN
eurjchem-2657	203	11	exhibits	exhibit	VERB
eurjchem-2657	203	12	greater	great	ADJ
eurjchem-2657	203	13	stability	stability	NOUN
eurjchem-2657	203	14	and	and	CCONJ
eurjchem-2657	203	15	lower	low	ADJ
eurjchem-2657	203	16	chemical	chemical	NOUN
eurjchem-2657	203	17	reactivity	reactivity	NOUN
eurjchem-2657	203	18	in	in	ADP
eurjchem-2657	203	19	more	more	ADJ
eurjchem-2657	203	20	polar	polar	ADJ
eurjchem-2657	203	21	solvents	solvent	NOUN
eurjchem-2657	203	22	.	.	PUNCT
eurjchem-2657	204	1	the	the	DET
eurjchem-2657	204	2	molecular	molecular	ADJ
eurjchem-2657	204	3	electrostatic	electrostatic	ADJ
eurjchem-2657	204	4	potential	potential	NOUN
eurjchem-2657	204	5	(	(	PUNCT
eurjchem-2657	204	6	mep	mep	PROPN
eurjchem-2657	204	7	)	)	PUNCT
eurjchem-2657	204	8	mapping	mapping	NOUN
eurjchem-2657	204	9	-350	-350	PROPN
eurjchem-2657	204	10	-250	-250	PROPN
eurjchem-2657	204	11	-150	-150	PROPN
eurjchem-2657	204	12	-50	-50	PUNCT
eurjchem-2657	204	13	50	50	NUM
eurjchem-2657	204	14	150	150	NUM
eurjchem-2657	204	15	250	250	NUM
eurjchem-2657	204	16	350	350	NUM
eurjchem-2657	204	17	200	200	NUM
eurjchem-2657	204	18	300	300	NUM
eurjchem-2657	204	19	400	400	NUM
eurjchem-2657	204	20	500	500	NUM
eurjchem-2657	204	21	600	600	NUM
eurjchem-2657	204	22	700	700	NUM
eurjchem-2657	204	23	800	800	NUM
eurjchem-2657	204	24	900	900	NUM
eurjchem-2657	204	25	1000	1000	NUM
eurjchem-2657	204	26	th	th	INTJ
eurjchem-2657	204	27	er	er	INTJ
eurjchem-2657	204	28	m	m	VERB
eurjchem-2657	204	29	od	od	PROPN
eurjchem-2657	204	30	yn	yn	PROPN
eurjchem-2657	204	31	am	be	AUX
eurjchem-2657	204	32	ic	ic	PROPN
eurjchem-2657	204	33	p	p	X
eurjchem-2657	204	34	ro	ro	X
eurjchem-2657	204	35	pe	pe	INTJ
eurjchem-2657	204	36	rti	rti	PROPN
eurjchem-2657	204	37	es	es	NOUN
eurjchem-2657	204	38	temperature	temperature	NOUN
eurjchem-2657	204	39	,	,	PUNCT
eurjchem-2657	204	40	oc	oc	ADP
eurjchem-2657	204	41	c	c	PROPN
eurjchem-2657	204	42	s	s	NOUN
eurjchem-2657	205	1	h	h	NOUN
eurjchem-2657	205	2	g	g	PROPN
eurjchem-2657	205	3	-350	-350	PROPN
eurjchem-2657	205	4	-250	-250	PROPN
eurjchem-2657	205	5	-150	-150	PROPN
eurjchem-2657	205	6	-50	-50	PUNCT
eurjchem-2657	205	7	50	50	NUM
eurjchem-2657	205	8	150	150	NUM
eurjchem-2657	205	9	250	250	NUM
eurjchem-2657	205	10	350	350	NUM
eurjchem-2657	205	11	200	200	NUM
eurjchem-2657	205	12	300	300	NUM
eurjchem-2657	205	13	400	400	NUM
eurjchem-2657	205	14	500	500	NUM
eurjchem-2657	205	15	600	600	NUM
eurjchem-2657	205	16	700	700	NUM
eurjchem-2657	205	17	800	800	NUM
eurjchem-2657	205	18	900	900	NUM
eurjchem-2657	205	19	1000	1000	NUM
eurjchem-2657	205	20	th	th	INTJ
eurjchem-2657	205	21	er	er	INTJ
eurjchem-2657	205	22	m	m	VERB
eurjchem-2657	205	23	od	od	PROPN
eurjchem-2657	205	24	yn	yn	PROPN
eurjchem-2657	205	25	am	be	AUX
eurjchem-2657	205	26	ic	ic	PROPN
eurjchem-2657	205	27	p	p	X
eurjchem-2657	205	28	ro	ro	X
eurjchem-2657	205	29	pe	pe	INTJ
eurjchem-2657	205	30	rti	rti	PROPN
eurjchem-2657	205	31	es	es	NOUN
eurjchem-2657	205	32	temperature	temperature	NOUN
eurjchem-2657	205	33	,	,	PUNCT
eurjchem-2657	205	34	oc	oc	ADP
eurjchem-2657	205	35	c	c	PROPN
eurjchem-2657	205	36	s	s	NOUN
eurjchem-2657	206	1	h	h	NOUN
eurjchem-2657	206	2	g	g	PROPN
eurjchem-2657	206	3	-350	-350	PROPN
eurjchem-2657	206	4	-250	-250	PROPN
eurjchem-2657	206	5	-150	-150	PROPN
eurjchem-2657	206	6	-50	-50	PUNCT
eurjchem-2657	206	7	50	50	NUM
eurjchem-2657	206	8	150	150	NUM
eurjchem-2657	206	9	250	250	NUM
eurjchem-2657	206	10	350	350	NUM
eurjchem-2657	206	11	200	200	NUM
eurjchem-2657	206	12	300	300	NUM
eurjchem-2657	206	13	400	400	NUM
eurjchem-2657	206	14	500	500	NUM
eurjchem-2657	206	15	600	600	NUM
eurjchem-2657	206	16	700	700	NUM
eurjchem-2657	206	17	800	800	NUM
eurjchem-2657	206	18	900	900	NUM
eurjchem-2657	206	19	1000	1000	NUM
eurjchem-2657	206	20	th	th	INTJ
eurjchem-2657	206	21	er	er	INTJ
eurjchem-2657	206	22	m	m	VERB
eurjchem-2657	206	23	od	od	PROPN
eurjchem-2657	206	24	yn	yn	PROPN
eurjchem-2657	206	25	am	be	AUX
eurjchem-2657	206	26	ic	ic	PROPN
eurjchem-2657	206	27	p	p	X
eurjchem-2657	206	28	ro	ro	X
eurjchem-2657	206	29	pe	pe	INTJ
eurjchem-2657	206	30	rti	rti	PROPN
eurjchem-2657	206	31	es	es	NOUN
eurjchem-2657	206	32	temperature	temperature	NOUN
eurjchem-2657	206	33	,	,	PUNCT
eurjchem-2657	206	34	oc	oc	ADP
eurjchem-2657	206	35	c	c	PROPN
eurjchem-2657	206	36	s	s	NOUN
eurjchem-2657	207	1	h	h	NOUN
eurjchem-2657	207	2	g	g	PROPN
eurjchem-2657	207	3	-350	-350	PROPN
eurjchem-2657	207	4	-250	-250	PROPN
eurjchem-2657	207	5	-150	-150	PROPN
eurjchem-2657	207	6	-50	-50	PUNCT
eurjchem-2657	207	7	50	50	NUM
eurjchem-2657	207	8	150	150	NUM
eurjchem-2657	207	9	250	250	NUM
eurjchem-2657	207	10	350	350	NUM
eurjchem-2657	207	11	200	200	NUM
eurjchem-2657	207	12	300	300	NUM
eurjchem-2657	207	13	400	400	NUM
eurjchem-2657	207	14	500	500	NUM
eurjchem-2657	207	15	600	600	NUM
eurjchem-2657	207	16	700	700	NUM
eurjchem-2657	207	17	800	800	NUM
eurjchem-2657	207	18	900	900	NUM
eurjchem-2657	207	19	1000	1000	NUM
eurjchem-2657	207	20	th	th	INTJ
eurjchem-2657	207	21	er	er	INTJ
eurjchem-2657	207	22	m	m	VERB
eurjchem-2657	207	23	od	od	PROPN
eurjchem-2657	207	24	yn	yn	PROPN
eurjchem-2657	207	25	am	be	AUX
eurjchem-2657	207	26	ic	ic	PROPN
eurjchem-2657	207	27	p	p	X
eurjchem-2657	207	28	ro	ro	X
eurjchem-2657	207	29	pe	pe	INTJ
eurjchem-2657	207	30	rti	rti	PROPN
eurjchem-2657	207	31	es	es	NOUN
eurjchem-2657	207	32	temperature	temperature	NOUN
eurjchem-2657	207	33	,	,	PUNCT
eurjchem-2657	207	34	oc	oc	ADP
eurjchem-2657	207	35	c	c	PROPN
eurjchem-2657	207	36	s	s	NOUN
eurjchem-2657	207	37	h	h	NOUN
eurjchem-2657	207	38	g	g	NOUN
eurjchem-2657	207	39	tosun	tosun	NOUN
eurjchem-2657	207	40	and	and	CCONJ
eurjchem-2657	207	41	kandemirli	kandemirli	ADJ
eurjchem-2657	207	42	/	/	SYM
eurjchem-2657	207	43	european	european	ADJ
eurjchem-2657	207	44	journal	journal	PROPN
eurjchem-2657	207	45	of	of	ADP
eurjchem-2657	207	46	chemistry	chemistry	NOUN
eurjchem-2657	207	47	16	16	NUM
eurjchem-2657	207	48	(	(	PUNCT
eurjchem-2657	207	49	3	3	NUM
eurjchem-2657	207	50	)	)	PUNCT
eurjchem-2657	207	51	(	(	PUNCT
eurjchem-2657	207	52	2025	2025	NUM
eurjchem-2657	207	53	)	)	PUNCT
eurjchem-2657	207	54	267	267	NUM
eurjchem-2657	207	55	-	-	SYM
eurjchem-2657	207	56	274	274	NUM
eurjchem-2657	207	57	273	273	NUM
eurjchem-2657	207	58	2025	2025	NUM
eurjchem-2657	207	59	–	–	PUNCT
eurjchem-2657	207	60	european	european	ADJ
eurjchem-2657	207	61	journal	journal	NOUN
eurjchem-2657	207	62	of	of	ADP
eurjchem-2657	207	63	chemistry	chemistry	NOUN
eurjchem-2657	207	64	–	–	PUNCT
eurjchem-2657	207	65	cc	cc	NOUN
eurjchem-2657	207	66	by	by	ADP
eurjchem-2657	207	67	nc	nc	PROPN
eurjchem-2657	207	68	–	–	PUNCT
eurjchem-2657	207	69	doi	doi	NOUN
eurjchem-2657	207	70	:	:	PUNCT
eurjchem-2657	207	71	10.5155	10.5155	NUM
eurjchem-2657	207	72	/	/	SYM
eurjchem-2657	207	73	eurjchem.16.3.267	eurjchem.16.3.267	NUM
eurjchem-2657	207	74	-	-	PUNCT
eurjchem-2657	207	75	274.2657	274.2657	NUM
eurjchem-2657	207	76	reveals	reveal	VERB
eurjchem-2657	207	77	that	that	SCONJ
eurjchem-2657	207	78	electrophilic	electrophilic	ADJ
eurjchem-2657	207	79	and	and	CCONJ
eurjchem-2657	207	80	nucleophilic	nucleophilic	ADJ
eurjchem-2657	207	81	attack	attack	NOUN
eurjchem-2657	207	82	sites	site	NOUN
eurjchem-2657	207	83	are	be	AUX
eurjchem-2657	207	84	affected	affect	VERB
eurjchem-2657	207	85	by	by	ADP
eurjchem-2657	207	86	the	the	DET
eurjchem-2657	207	87	solvent	solvent	ADJ
eurjchem-2657	207	88	polarity	polarity	NOUN
eurjchem-2657	207	89	.	.	PUNCT
eurjchem-2657	208	1	these	these	DET
eurjchem-2657	208	2	findings	finding	NOUN
eurjchem-2657	208	3	contribute	contribute	VERB
eurjchem-2657	208	4	to	to	ADP
eurjchem-2657	208	5	a	a	DET
eurjchem-2657	208	6	deeper	deep	ADJ
eurjchem-2657	208	7	understanding	understanding	NOUN
eurjchem-2657	208	8	of	of	ADP
eurjchem-2657	208	9	the	the	DET
eurjchem-2657	208	10	solvent	solvent	NOUN
eurjchem-2657	208	11	-	-	PUNCT
eurjchem-2657	208	12	dependent	dependent	ADJ
eurjchem-2657	208	13	electronic	electronic	ADJ
eurjchem-2657	208	14	and	and	CCONJ
eurjchem-2657	208	15	structural	structural	ADJ
eurjchem-2657	208	16	behavior	behavior	NOUN
eurjchem-2657	208	17	of	of	ADP
eurjchem-2657	208	18	tpb	tpb	NOUN
eurjchem-2657	208	19	,	,	PUNCT
eurjchem-2657	208	20	which	which	PRON
eurjchem-2657	208	21	is	be	AUX
eurjchem-2657	208	22	critical	critical	ADJ
eurjchem-2657	208	23	for	for	ADP
eurjchem-2657	208	24	its	its	PRON
eurjchem-2657	208	25	application	application	NOUN
eurjchem-2657	208	26	in	in	ADP
eurjchem-2657	208	27	chemical	chemical	NOUN
eurjchem-2657	208	28	and	and	CCONJ
eurjchem-2657	208	29	biological	biological	ADJ
eurjchem-2657	208	30	systems	system	NOUN
eurjchem-2657	208	31	.	.	PUNCT
eurjchem-2657	209	1	this	this	DET
eurjchem-2657	209	2	study	study	NOUN
eurjchem-2657	209	3	provides	provide	VERB
eurjchem-2657	209	4	important	important	ADJ
eurjchem-2657	209	5	chemical	chemical	ADJ
eurjchem-2657	209	6	insights	insight	NOUN
eurjchem-2657	209	7	for	for	ADP
eurjchem-2657	209	8	pharmaceutical	pharmaceutical	NOUN
eurjchem-2657	209	9	development	development	NOUN
eurjchem-2657	209	10	,	,	PUNCT
eurjchem-2657	209	11	providing	provide	VERB
eurjchem-2657	209	12	insight	insight	NOUN
eurjchem-2657	209	13	into	into	ADP
eurjchem-2657	209	14	the	the	DET
eurjchem-2657	209	15	efficacy	efficacy	NOUN
eurjchem-2657	209	16	and	and	CCONJ
eurjchem-2657	209	17	stability	stability	NOUN
eurjchem-2657	209	18	of	of	ADP
eurjchem-2657	209	19	tpb	tpb	NOUN
eurjchem-2657	209	20	under	under	ADP
eurjchem-2657	209	21	different	different	ADJ
eurjchem-2657	209	22	solvent	solvent	NOUN
eurjchem-2657	209	23	polarities	polarity	NOUN
eurjchem-2657	209	24	and	and	CCONJ
eurjchem-2657	209	25	temperatures	temperature	NOUN
eurjchem-2657	209	26	.	.	PUNCT
eurjchem-2657	210	1	in	in	ADP
eurjchem-2657	210	2	general	general	ADJ
eurjchem-2657	210	3	,	,	PUNCT
eurjchem-2657	210	4	these	these	DET
eurjchem-2657	210	5	equations	equation	NOUN
eurjchem-2657	210	6	show	show	VERB
eurjchem-2657	210	7	that	that	SCONJ
eurjchem-2657	210	8	gas	gas	NOUN
eurjchem-2657	210	9	,	,	PUNCT
eurjchem-2657	210	10	ethanol	ethanol	NOUN
eurjchem-2657	210	11	,	,	PUNCT
eurjchem-2657	210	12	n	n	CCONJ
eurjchem-2657	210	13	-	-	PUNCT
eurjchem-2657	210	14	octanol	octanol	NOUN
eurjchem-2657	210	15	,	,	PUNCT
eurjchem-2657	210	16	and	and	CCONJ
eurjchem-2657	210	17	water	water	NOUN
eurjchem-2657	210	18	behave	behave	VERB
eurjchem-2657	210	19	similarly	similarly	ADV
eurjchem-2657	210	20	in	in	ADP
eurjchem-2657	210	21	terms	term	NOUN
eurjchem-2657	210	22	of	of	ADP
eurjchem-2657	210	23	thermodynamic	thermodynamic	ADJ
eurjchem-2657	210	24	properties	property	NOUN
eurjchem-2657	210	25	,	,	PUNCT
eurjchem-2657	210	26	with	with	ADP
eurjchem-2657	210	27	only	only	ADJ
eurjchem-2657	210	28	minor	minor	ADJ
eurjchem-2657	210	29	changes	change	NOUN
eurjchem-2657	210	30	.	.	PUNCT
eurjchem-2657	211	1	disclosure	disclosure	NOUN
eurjchem-2657	211	2	statement	statement	NOUN
eurjchem-2657	211	3	conflict	conflict	NOUN
eurjchem-2657	211	4	of	of	ADP
eurjchem-2657	211	5	interest	interest	NOUN
eurjchem-2657	211	6	:	:	PUNCT
eurjchem-2657	211	7	the	the	DET
eurjchem-2657	211	8	authors	author	NOUN
eurjchem-2657	211	9	declare	declare	VERB
eurjchem-2657	211	10	that	that	SCONJ
eurjchem-2657	211	11	they	they	PRON
eurjchem-2657	211	12	have	have	VERB
eurjchem-2657	211	13	no	no	DET
eurjchem-2657	211	14	conflict	conflict	NOUN
eurjchem-2657	211	15	of	of	ADP
eurjchem-2657	211	16	interest	interest	NOUN
eurjchem-2657	211	17	.	.	PUNCT
eurjchem-2657	212	1	ethical	ethical	ADJ
eurjchem-2657	212	2	approval	approval	NOUN
eurjchem-2657	212	3	:	:	PUNCT
eurjchem-2657	213	1	all	all	DET
eurjchem-2657	213	2	ethical	ethical	ADJ
eurjchem-2657	213	3	guidelines	guideline	NOUN
eurjchem-2657	213	4	have	have	AUX
eurjchem-2657	213	5	been	be	AUX
eurjchem-2657	213	6	adhered	adhere	VERB
eurjchem-2657	213	7	to	to	ADP
eurjchem-2657	213	8	.	.	PUNCT
eurjchem-2657	214	1	data	datum	NOUN
eurjchem-2657	214	2	availability	availability	NOUN
eurjchem-2657	214	3	:	:	PUNCT
eurjchem-2657	214	4	the	the	DET
eurjchem-2657	214	5	data	datum	NOUN
eurjchem-2657	214	6	are	be	AUX
eurjchem-2657	214	7	available	available	ADJ
eurjchem-2657	214	8	from	from	ADP
eurjchem-2657	214	9	the	the	DET
eurjchem-2657	214	10	author	author	NOUN
eurjchem-2657	214	11	.	.	PUNCT
eurjchem-2657	215	1	credit	credit	NOUN
eurjchem-2657	215	2	authorship	authorship	NOUN
eurjchem-2657	215	3	contribution	contribution	NOUN
eurjchem-2657	215	4	statement	statement	NOUN
eurjchem-2657	215	5	conceptualization	conceptualization	NOUN
eurjchem-2657	215	6	:	:	PUNCT
eurjchem-2657	215	7	fatma	fatma	PROPN
eurjchem-2657	215	8	kandemirli	kandemirli	PROPN
eurjchem-2657	215	9	;	;	PUNCT
eurjchem-2657	215	10	methodology	methodology	NOUN
eurjchem-2657	215	11	:	:	PUNCT
eurjchem-2657	215	12	fatma	fatma	PROPN
eurjchem-2657	215	13	kandemirli	kandemirli	PROPN
eurjchem-2657	215	14	;	;	PUNCT
eurjchem-2657	215	15	software	software	NOUN
eurjchem-2657	215	16	:	:	PUNCT
eurjchem-2657	215	17	fatma	fatma	PROPN
eurjchem-2657	215	18	kandemirli	kandemirli	PROPN
eurjchem-2657	215	19	,	,	PUNCT
eurjchem-2657	215	20	alihan	alihan	PROPN
eurjchem-2657	215	21	tosun	tosun	NOUN
eurjchem-2657	215	22	;	;	PUNCT
eurjchem-2657	215	23	validation	validation	NOUN
eurjchem-2657	215	24	:	:	PUNCT
eurjchem-2657	215	25	fatma	fatma	PROPN
eurjchem-2657	215	26	kandemirli	kandemirli	PROPN
eurjchem-2657	215	27	,	,	PUNCT
eurjchem-2657	215	28	alihan	alihan	PROPN
eurjchem-2657	215	29	tosun	tosun	NOUN
eurjchem-2657	215	30	;	;	PUNCT
eurjchem-2657	215	31	formal	formal	ADJ
eurjchem-2657	215	32	analysis	analysis	NOUN
eurjchem-2657	215	33	:	:	PUNCT
eurjchem-2657	215	34	fatma	fatma	PROPN
eurjchem-2657	215	35	kandemirli	kandemirli	PROPN
eurjchem-2657	215	36	,	,	PUNCT
eurjchem-2657	215	37	alihan	alihan	PROPN
eurjchem-2657	215	38	tosun	tosun	NOUN
eurjchem-2657	215	39	;	;	PUNCT
eurjchem-2657	215	40	investigation	investigation	NOUN
eurjchem-2657	215	41	:	:	PUNCT
eurjchem-2657	215	42	fatma	fatma	PROPN
eurjchem-2657	215	43	kandemirli	kandemirli	PROPN
eurjchem-2657	215	44	,	,	PUNCT
eurjchem-2657	215	45	alihan	alihan	PROPN
eurjchem-2657	215	46	tosun	tosun	NOUN
eurjchem-2657	215	47	resources	resource	NOUN
eurjchem-2657	215	48	:	:	PUNCT
eurjchem-2657	215	49	fatma	fatma	PROPN
eurjchem-2657	215	50	kandemirli	kandemirli	PROPN
eurjchem-2657	215	51	,	,	PUNCT
eurjchem-2657	215	52	alihan	alihan	PROPN
eurjchem-2657	215	53	tosun	tosun	NOUN
eurjchem-2657	215	54	data	datum	NOUN
eurjchem-2657	215	55	curation	curation	NOUN
eurjchem-2657	215	56	:	:	PUNCT
eurjchem-2657	215	57	fatma	fatma	PROPN
eurjchem-2657	215	58	kandemirli	kandemirli	PROPN
eurjchem-2657	215	59	,	,	PUNCT
eurjchem-2657	215	60	alihan	alihan	PROPN
eurjchem-2657	215	61	tosun	tosun	NOUN
eurjchem-2657	215	62	writing	write	VERB
eurjchem-2657	215	63	original	original	ADJ
eurjchem-2657	215	64	draft	draft	NOUN
eurjchem-2657	215	65	:	:	PUNCT
eurjchem-2657	215	66	fatma	fatma	PROPN
eurjchem-2657	215	67	kandemirli	kandemirli	PROPN
eurjchem-2657	215	68	;	;	PUNCT
eurjchem-2657	215	69	writing	write	VERB
eurjchem-2657	215	70	review	review	NOUN
eurjchem-2657	215	71	and	and	CCONJ
eurjchem-2657	215	72	editing	editing	NOUN
eurjchem-2657	215	73	:	:	PUNCT
eurjchem-2657	215	74	fatma	fatma	PROPN
eurjchem-2657	215	75	kandemirli	kandemirli	PROPN
eurjchem-2657	215	76	,	,	PUNCT
eurjchem-2657	215	77	alihan	alihan	PROPN
eurjchem-2657	215	78	tosun	tosun	NOUN
eurjchem-2657	215	79	;	;	PUNCT
eurjchem-2657	215	80	visualization	visualization	NOUN
eurjchem-2657	215	81	:	:	PUNCT
eurjchem-2657	215	82	fatma	fatma	PROPN
eurjchem-2657	215	83	kandemirli	kandemirli	PROPN
eurjchem-2657	215	84	,	,	PUNCT
eurjchem-2657	215	85	alihan	alihan	PROPN
eurjchem-2657	215	86	tosun	tosun	NOUN
eurjchem-2657	215	87	;	;	PUNCT
eurjchem-2657	215	88	supervision	supervision	NOUN
eurjchem-2657	215	89	:	:	PUNCT
eurjchem-2657	215	90	fatma	fatma	PROPN
eurjchem-2657	215	91	kandemirli	kandemirli	PROPN
eurjchem-2657	215	92	;	;	PUNCT
eurjchem-2657	215	93	project	project	NOUN
eurjchem-2657	215	94	administration	administration	NOUN
eurjchem-2657	215	95	:	:	PUNCT
eurjchem-2657	215	96	fatma	fatma	PROPN
eurjchem-2657	215	97	kandemirli	kandemirli	PROPN
eurjchem-2657	215	98	,	,	PUNCT
eurjchem-2657	215	99	alihan	alihan	PROPN
eurjchem-2657	215	100	tosun	tosun	NOUN
eurjchem-2657	215	101	.	.	PUNCT
eurjchem-2657	216	1	orcid	orcid	NOUN
eurjchem-2657	216	2	and	and	CCONJ
eurjchem-2657	216	3	email	email	NOUN
eurjchem-2657	216	4	alihan	alihan	PROPN
eurjchem-2657	216	5	tosun	tosun	NOUN
eurjchem-2657	217	1	mioalihan27@gmail.com	mioalihan27@gmail.com	PROPN
eurjchem-2657	217	2	https://orcid.org/0000-0002-8124-5442	https://orcid.org/0000-0002-8124-5442	PROPN
eurjchem-2657	217	3	fatma	fatma	PROPN
eurjchem-2657	217	4	kandemirli	kandemirli	PROPN
eurjchem-2657	218	1	fkandemirli@yahoo.com	fkandemirli@yahoo.com	X
eurjchem-2657	219	1	https://orcid.org/0000-0001-6097-2184	https://orcid.org/0000-0001-6097-2184	ADJ
eurjchem-2657	219	2	references	reference	NOUN
eurjchem-2657	219	3	[	[	X
eurjchem-2657	219	4	1	1	NUM
eurjchem-2657	219	5	]	]	PUNCT
eurjchem-2657	219	6	.	.	PUNCT
eurjchem-2657	220	1	rashid	rashid	PROPN
eurjchem-2657	220	2	,	,	PUNCT
eurjchem-2657	220	3	m.	m.	NOUN
eurjchem-2657	220	4	;	;	PUNCT
eurjchem-2657	220	5	husain	husain	PROPN
eurjchem-2657	220	6	,	,	PUNCT
eurjchem-2657	220	7	a.	a.	NOUN
eurjchem-2657	220	8	;	;	PUNCT
eurjchem-2657	220	9	shaharyar	shaharyar	PROPN
eurjchem-2657	220	10	,	,	PUNCT
eurjchem-2657	220	11	m.	m.	NOUN
eurjchem-2657	220	12	;	;	PUNCT
eurjchem-2657	220	13	mishra	mishra	PROPN
eurjchem-2657	220	14	,	,	PUNCT
eurjchem-2657	220	15	r.	r.	PROPN
eurjchem-2657	220	16	;	;	PUNCT
eurjchem-2657	220	17	hussain	hussain	PROPN
eurjchem-2657	220	18	,	,	PUNCT
eurjchem-2657	220	19	a.	a.	PROPN
eurjchem-2657	220	20	;	;	PUNCT
eurjchem-2657	220	21	afzal	afzal	PROPN
eurjchem-2657	220	22	,	,	PUNCT
eurjchem-2657	220	23	o.	o.	PROPN
eurjchem-2657	220	24	design	design	NOUN
eurjchem-2657	220	25	and	and	CCONJ
eurjchem-2657	220	26	synthesis	synthesis	NOUN
eurjchem-2657	220	27	of	of	ADP
eurjchem-2657	220	28	pyrimidine	pyrimidine	NOUN
eurjchem-2657	220	29	molecules	molecule	NOUN
eurjchem-2657	220	30	endowed	endow	VERB
eurjchem-2657	220	31	with	with	ADP
eurjchem-2657	220	32	thiazolidin-4	thiazolidin-4	PROPN
eurjchem-2657	220	33	-	-	PUNCT
eurjchem-2657	220	34	one	one	NUM
eurjchem-2657	220	35	as	as	ADP
eurjchem-2657	220	36	new	new	ADJ
eurjchem-2657	220	37	anticancer	anticancer	NOUN
eurjchem-2657	220	38	agents	agent	NOUN
eurjchem-2657	220	39	.	.	PUNCT
eurjchem-2657	221	1	eur	eur	PROPN
eurjchem-2657	221	2	.	.	PUNCT
eurjchem-2657	222	1	j.	j.	PROPN
eurjchem-2657	222	2	med	med	PROPN
eurjchem-2657	222	3	.	.	PROPN
eurjchem-2657	222	4	chem	chem	PROPN
eurjchem-2657	222	5	.	.	PUNCT
eurjchem-2657	223	1	2014	2014	NUM
eurjchem-2657	223	2	,	,	PUNCT
eurjchem-2657	223	3	83	83	NUM
eurjchem-2657	223	4	,	,	PUNCT
eurjchem-2657	223	5	630–645	630–645	NUM
eurjchem-2657	223	6	.	.	PUNCT
eurjchem-2657	224	1	[	[	X
eurjchem-2657	224	2	2	2	NUM
eurjchem-2657	224	3	]	]	PUNCT
eurjchem-2657	224	4	.	.	PUNCT
eurjchem-2657	225	1	abdel	abdel	PROPN
eurjchem-2657	225	2	-	-	PUNCT
eurjchem-2657	225	3	mohsen	mohsen	PROPN
eurjchem-2657	225	4	,	,	PUNCT
eurjchem-2657	225	5	h.	h.	PROPN
eurjchem-2657	225	6	t.	t.	PROPN
eurjchem-2657	225	7	;	;	PUNCT
eurjchem-2657	225	8	ragab	ragab	VERB
eurjchem-2657	225	9	,	,	PUNCT
eurjchem-2657	225	10	f.	f.	PROPN
eurjchem-2657	225	11	a.	a.	PROPN
eurjchem-2657	225	12	;	;	PUNCT
eurjchem-2657	226	1	ramla	ramla	NOUN
eurjchem-2657	226	2	,	,	PUNCT
eurjchem-2657	226	3	m.	m.	NOUN
eurjchem-2657	226	4	m.	m.	NOUN
eurjchem-2657	226	5	;	;	PUNCT
eurjchem-2657	226	6	el	el	PROPN
eurjchem-2657	226	7	diwani	diwani	PROPN
eurjchem-2657	226	8	,	,	PUNCT
eurjchem-2657	226	9	h.	h.	PROPN
eurjchem-2657	226	10	i.	i.	PROPN
eurjchem-2657	226	11	novel	novel	PROPN
eurjchem-2657	226	12	benzimidazole	benzimidazole	NOUN
eurjchem-2657	226	13	–	–	PUNCT
eurjchem-2657	226	14	pyrimidine	pyrimidine	NOUN
eurjchem-2657	226	15	conjugates	conjugate	NOUN
eurjchem-2657	226	16	as	as	ADP
eurjchem-2657	226	17	potent	potent	ADJ
eurjchem-2657	226	18	antitumor	antitumor	PROPN
eurjchem-2657	226	19	agents	agent	NOUN
eurjchem-2657	226	20	.	.	PUNCT
eurjchem-2657	227	1	eur	eur	PROPN
eurjchem-2657	227	2	.	.	PUNCT
eurjchem-2657	228	1	j.	j.	PROPN
eurjchem-2657	228	2	med	med	PROPN
eurjchem-2657	228	3	.	.	PROPN
eurjchem-2657	228	4	chem	chem	PROPN
eurjchem-2657	228	5	.	.	PUNCT
eurjchem-2657	229	1	2010	2010	NUM
eurjchem-2657	229	2	,	,	PUNCT
eurjchem-2657	229	3	45	45	NUM
eurjchem-2657	229	4	(	(	PUNCT
eurjchem-2657	229	5	6	6	NUM
eurjchem-2657	229	6	)	)	PUNCT
eurjchem-2657	229	7	,	,	PUNCT
eurjchem-2657	229	8	2336–2344	2336–2344	NUM
eurjchem-2657	229	9	.	.	PUNCT
eurjchem-2657	230	1	[	[	X
eurjchem-2657	230	2	3	3	NUM
eurjchem-2657	230	3	]	]	PUNCT
eurjchem-2657	230	4	.	.	PUNCT
eurjchem-2657	231	1	shruthi	shruthi	PROPN
eurjchem-2657	231	2	,	,	PUNCT
eurjchem-2657	231	3	n.	n.	PROPN
eurjchem-2657	231	4	;	;	PUNCT
eurjchem-2657	231	5	poojary	poojary	NOUN
eurjchem-2657	231	6	,	,	PUNCT
eurjchem-2657	231	7	b.	b.	PROPN
eurjchem-2657	231	8	;	;	PUNCT
eurjchem-2657	231	9	kumar	kumar	PROPN
eurjchem-2657	231	10	,	,	PUNCT
eurjchem-2657	231	11	v.	v.	PROPN
eurjchem-2657	231	12	;	;	PUNCT
eurjchem-2657	231	13	bhat	bhat	PROPN
eurjchem-2657	231	14	,	,	PUNCT
eurjchem-2657	231	15	m.	m.	NOUN
eurjchem-2657	231	16	;	;	PUNCT
eurjchem-2657	231	17	joshi	joshi	PROPN
eurjchem-2657	231	18	,	,	PUNCT
eurjchem-2657	231	19	h.	h.	PROPN
eurjchem-2657	231	20	;	;	PUNCT
eurjchem-2657	231	21	revanasiddappa	revanasiddappa	PROPN
eurjchem-2657	231	22	,	,	PUNCT
eurjchem-2657	231	23	b.	b.	PROPN
eurjchem-2657	231	24	c.	c.	PROPN
eurjchem-2657	231	25	synthesis	synthesis	PROPN
eurjchem-2657	231	26	,	,	PUNCT
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eurjchem-2657	231	28	properties	property	NOUN
eurjchem-2657	231	29	and	and	CCONJ
eurjchem-2657	231	30	evaluation	evaluation	NOUN
eurjchem-2657	231	31	of	of	ADP
eurjchem-2657	231	32	anthelmintic	anthelmintic	ADJ
eurjchem-2657	231	33	activity	activity	NOUN
eurjchem-2657	231	34	of	of	ADP
eurjchem-2657	231	35	new	new	ADJ
eurjchem-2657	231	36	thiazolopyrimidine	thiazolopyrimidine	NOUN
eurjchem-2657	231	37	derivatives	derivative	NOUN
eurjchem-2657	231	38	,	,	PUNCT
eurjchem-2657	231	39	j.	j.	PROPN
eurjchem-2657	231	40	chem	chem	PROPN
eurjchem-2657	231	41	.	.	PUNCT
eurjchem-2657	232	1	pharm	pharm	PROPN
eurjchem-2657	232	2	.	.	PUNCT
eurjchem-2657	233	1	res	re	NOUN
eurjchem-2657	233	2	.	.	PROPN
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eurjchem-2657	233	4	,	,	PUNCT
eurjchem-2657	233	5	7	7	NUM
eurjchem-2657	233	6	,	,	PUNCT
eurjchem-2657	233	7	181–191	181–191	NUM
eurjchem-2657	233	8	.	.	PUNCT
eurjchem-2657	234	1	[	[	X
eurjchem-2657	234	2	4	4	NUM
eurjchem-2657	234	3	]	]	PUNCT
eurjchem-2657	234	4	.	.	PUNCT
eurjchem-2657	235	1	mohan	mohan	PROPN
eurjchem-2657	235	2	,	,	PUNCT
eurjchem-2657	235	3	n.	n.	PROPN
eurjchem-2657	235	4	r.	r.	PROPN
eurjchem-2657	235	5	;	;	PUNCT
eurjchem-2657	235	6	sreenivasa	sreenivasa	PROPN
eurjchem-2657	235	7	,	,	PUNCT
eurjchem-2657	235	8	s.	s.	PROPN
eurjchem-2657	235	9	;	;	PUNCT
eurjchem-2657	235	10	manojkumar	manojkumar	PROPN
eurjchem-2657	235	11	,	,	PUNCT
eurjchem-2657	235	12	k.	k.	PROPN
eurjchem-2657	235	13	e.	e.	PROPN
eurjchem-2657	235	14	;	;	PUNCT
eurjchem-2657	235	15	rao	rao	PROPN
eurjchem-2657	235	16	,	,	PUNCT
eurjchem-2657	235	17	t.	t.	NOUN
eurjchem-2657	235	18	m.	m.	NOUN
eurjchem-2657	235	19	;	;	PUNCT
eurjchem-2657	235	20	thippeswamy	thippeswamy	PROPN
eurjchem-2657	235	21	,	,	PUNCT
eurjchem-2657	235	22	b.	b.	PROPN
eurjchem-2657	235	23	s.	s.	PROPN
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eurjchem-2657	235	25	suchetan	suchetan	PROPN
eurjchem-2657	235	26	,	,	PUNCT
eurjchem-2657	235	27	p.	p.	NOUN
eurjchem-2657	235	28	a.	a.	NOUN
eurjchem-2657	235	29	synthesis	synthesis	NOUN
eurjchem-2657	235	30	,	,	PUNCT
eurjchem-2657	235	31	antibacterial	antibacterial	ADJ
eurjchem-2657	235	32	,	,	PUNCT
eurjchem-2657	235	33	anthelmintic	anthelmintic	ADJ
eurjchem-2657	235	34	and	and	CCONJ
eurjchem-2657	235	35	anti	anti	ADJ
eurjchem-2657	235	36	-	-	ADJ
eurjchem-2657	235	37	inflammatory	inflammatory	ADJ
eurjchem-2657	235	38	studies	study	NOUN
eurjchem-2657	235	39	of	of	ADP
eurjchem-2657	235	40	novel	novel	ADJ
eurjchem-2657	235	41	methylpyrimidine	methylpyrimidine	ADJ
eurjchem-2657	235	42	sulfonyl	sulfonyl	NOUN
eurjchem-2657	235	43	piperazine	piperazine	NOUN
eurjchem-2657	235	44	derivatives	derivative	NOUN
eurjchem-2657	235	45	.	.	PUNCT
eurjchem-2657	236	1	j.	j.	PROPN
eurjchem-2657	236	2	brazilian	brazilian	PROPN
eurjchem-2657	236	3	chem	chem	PROPN
eurjchem-2657	236	4	.	.	PUNCT
eurjchem-2657	237	1	soc	soc	PROPN
eurjchem-2657	237	2	.	.	PUNCT
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eurjchem-2657	238	2	,	,	PUNCT
eurjchem-2657	238	3	25	25	NUM
eurjchem-2657	238	4	(	(	PUNCT
eurjchem-2657	238	5	6	6	NUM
eurjchem-2657	238	6	)	)	PUNCT
eurjchem-2657	238	7	,	,	PUNCT
eurjchem-2657	238	8	1012	1012	NUM
eurjchem-2657	238	9	-	-	SYM
eurjchem-2657	238	10	1020	1020	NUM
eurjchem-2657	238	11	.	.	PUNCT
eurjchem-2657	239	1	https://doi.org/10.5935/01035053.20140073	https://doi.org/10.5935/01035053.20140073	NOUN
eurjchem-2657	239	2	.	.	PUNCT
eurjchem-2657	240	1	[	[	X
eurjchem-2657	240	2	5	5	NUM
eurjchem-2657	240	3	]	]	PUNCT
eurjchem-2657	240	4	.	.	PUNCT
eurjchem-2657	241	1	abdel	abdel	PROPN
eurjchem-2657	241	2	moty	moty	PROPN
eurjchem-2657	241	3	,	,	PUNCT
eurjchem-2657	241	4	s.	s.	PROPN
eurjchem-2657	241	5	g.	g.	PROPN
eurjchem-2657	241	6	;	;	PUNCT
eurjchem-2657	241	7	hussein	hussein	PROPN
eurjchem-2657	241	8	,	,	PUNCT
eurjchem-2657	241	9	m.	m.	NOUN
eurjchem-2657	241	10	a.	a.	PROPN
eurjchem-2657	241	11	;	;	PUNCT
eurjchem-2657	241	12	abdel	abdel	PROPN
eurjchem-2657	241	13	aziz	aziz	PROPN
eurjchem-2657	241	14	,	,	PUNCT
eurjchem-2657	241	15	s.	s.	PROPN
eurjchem-2657	241	16	a.	a.	PROPN
eurjchem-2657	241	17	;	;	PUNCT
eurjchem-2657	241	18	abou	abou	PROPN
eurjchem-2657	241	19	-	-	PUNCT
eurjchem-2657	241	20	salim	salim	PROPN
eurjchem-2657	241	21	,	,	PUNCT
eurjchem-2657	241	22	m.	m.	NOUN
eurjchem-2657	241	23	a.	a.	NOUN
eurjchem-2657	241	24	design	design	NOUN
eurjchem-2657	241	25	and	and	CCONJ
eurjchem-2657	241	26	synthesis	synthesis	NOUN
eurjchem-2657	241	27	of	of	ADP
eurjchem-2657	241	28	some	some	DET
eurjchem-2657	241	29	substituted	substitute	VERB
eurjchem-2657	241	30	thiazolo[3,2	thiazolo[3,2	PROPN
eurjchem-2657	241	31	-	-	PUNCT
eurjchem-2657	241	32	a]pyrimidine	a]pyrimidine	CCONJ
eurjchem-2657	241	33	derivatives	derivative	NOUN
eurjchem-2657	241	34	of	of	ADP
eurjchem-2657	241	35	potential	potential	ADJ
eurjchem-2657	241	36	biological	biological	ADJ
eurjchem-2657	241	37	activities	activity	NOUN
eurjchem-2657	241	38	.	.	PUNCT
eurjchem-2657	242	1	saudi	saudi	ADJ
eurjchem-2657	242	2	pharmaceutical	pharmaceutical	PROPN
eurjchem-2657	242	3	journal	journal	PROPN
eurjchem-2657	242	4	2016	2016	NUM
eurjchem-2657	242	5	,	,	PUNCT
eurjchem-2657	242	6	24	24	NUM
eurjchem-2657	242	7	(	(	PUNCT
eurjchem-2657	242	8	2	2	NUM
eurjchem-2657	242	9	)	)	PUNCT
eurjchem-2657	242	10	,	,	PUNCT
eurjchem-2657	242	11	119–132	119–132	NUM
eurjchem-2657	242	12	.	.	PUNCT
eurjchem-2657	243	1	[	[	X
eurjchem-2657	243	2	6	6	NUM
eurjchem-2657	243	3	]	]	PUNCT
eurjchem-2657	243	4	.	.	PUNCT
eurjchem-2657	244	1	boschi	boschi	PROPN
eurjchem-2657	244	2	,	,	PUNCT
eurjchem-2657	244	3	d.	d.	PROPN
eurjchem-2657	244	4	;	;	PUNCT
eurjchem-2657	244	5	tosco	tosco	PROPN
eurjchem-2657	244	6	,	,	PUNCT
eurjchem-2657	244	7	p.	p.	NOUN
eurjchem-2657	244	8	;	;	PUNCT
eurjchem-2657	244	9	chandra	chandra	PROPN
eurjchem-2657	244	10	,	,	PUNCT
eurjchem-2657	244	11	n.	n.	PROPN
eurjchem-2657	244	12	;	;	PUNCT
eurjchem-2657	244	13	chaurasia	chaurasia	PROPN
eurjchem-2657	244	14	,	,	PUNCT
eurjchem-2657	244	15	s.	s.	PROPN
eurjchem-2657	244	16	;	;	PUNCT
eurjchem-2657	244	17	fruttero	fruttero	PROPN
eurjchem-2657	244	18	,	,	PUNCT
eurjchem-2657	244	19	r.	r.	PROPN
eurjchem-2657	244	20	;	;	PUNCT
eurjchem-2657	244	21	griffin	griffin	PROPN
eurjchem-2657	244	22	,	,	PUNCT
eurjchem-2657	244	23	r.	r.	PROPN
eurjchem-2657	244	24	;	;	PUNCT
eurjchem-2657	244	25	wang	wang	PROPN
eurjchem-2657	244	26	,	,	PUNCT
eurjchem-2657	244	27	l.	l.	PROPN
eurjchem-2657	244	28	;	;	PUNCT
eurjchem-2657	244	29	gasco	gasco	NOUN
eurjchem-2657	244	30	,	,	PUNCT
eurjchem-2657	244	31	a.	a.	NOUN
eurjchem-2657	244	32	6	6	NUM
eurjchem-2657	244	33	-	-	PUNCT
eurjchem-2657	244	34	cyclohexylmethoxy-5-(cyano	cyclohexylmethoxy-5-(cyano	VERB
eurjchem-2657	244	35	-	-	PUNCT
eurjchem-2657	244	36	nnoazoxy)pyrimidine-4	nnoazoxy)pyrimidine-4	NOUN
eurjchem-2657	244	37	-	-	PUNCT
eurjchem-2657	244	38	amine	amine	ADJ
eurjchem-2657	244	39	:	:	PUNCT
eurjchem-2657	244	40	a	a	DET
eurjchem-2657	244	41	new	new	ADJ
eurjchem-2657	244	42	scaffold	scaffold	NOUN
eurjchem-2657	244	43	endowed	endow	VERB
eurjchem-2657	244	44	with	with	ADP
eurjchem-2657	244	45	potent	potent	ADJ
eurjchem-2657	244	46	cdk2	cdk2	PROPN
eurjchem-2657	244	47	inhibitory	inhibitory	ADJ
eurjchem-2657	244	48	activity	activity	NOUN
eurjchem-2657	244	49	.	.	PUNCT
eurjchem-2657	245	1	eur	eur	PROPN
eurjchem-2657	245	2	.	.	PUNCT
eurjchem-2657	246	1	j.	j.	PROPN
eurjchem-2657	246	2	med	med	PROPN
eurjchem-2657	246	3	.	.	PROPN
eurjchem-2657	246	4	chem	chem	PROPN
eurjchem-2657	246	5	.	.	PUNCT
eurjchem-2657	247	1	2013	2013	NUM
eurjchem-2657	247	2	,	,	PUNCT
eurjchem-2657	247	3	68	68	NUM
eurjchem-2657	247	4	,	,	PUNCT
eurjchem-2657	247	5	333–338	333–338	NUM
eurjchem-2657	247	6	.	.	PUNCT
eurjchem-2657	248	1	[	[	X
eurjchem-2657	248	2	7	7	NUM
eurjchem-2657	248	3	]	]	PUNCT
eurjchem-2657	248	4	.	.	PUNCT
eurjchem-2657	249	1	chan	chan	PROPN
eurjchem-2657	249	2	,	,	PUNCT
eurjchem-2657	249	3	s.	s.	PROPN
eurjchem-2657	249	4	;	;	PUNCT
eurjchem-2657	249	5	han	han	PROPN
eurjchem-2657	249	6	,	,	PUNCT
eurjchem-2657	249	7	k.	k.	PROPN
eurjchem-2657	249	8	;	;	PUNCT
eurjchem-2657	249	9	qu	qu	PROPN
eurjchem-2657	249	10	,	,	PUNCT
eurjchem-2657	249	11	r.	r.	PROPN
eurjchem-2657	249	12	;	;	PUNCT
eurjchem-2657	249	13	tong	tong	PROPN
eurjchem-2657	249	14	,	,	PUNCT
eurjchem-2657	249	15	l.	l.	PROPN
eurjchem-2657	249	16	;	;	PUNCT
eurjchem-2657	249	17	li	li	PROPN
eurjchem-2657	249	18	,	,	PUNCT
eurjchem-2657	249	19	y.	y.	PROPN
eurjchem-2657	249	20	;	;	PUNCT
eurjchem-2657	249	21	zhang	zhang	PROPN
eurjchem-2657	249	22	,	,	PUNCT
eurjchem-2657	249	23	z.	z.	PROPN
eurjchem-2657	249	24	;	;	PUNCT
eurjchem-2657	249	25	cheng	cheng	PROPN
eurjchem-2657	249	26	,	,	PUNCT
eurjchem-2657	249	27	h.	h.	PROPN
eurjchem-2657	249	28	;	;	PUNCT
eurjchem-2657	249	29	lu	lu	PROPN
eurjchem-2657	249	30	,	,	PUNCT
eurjchem-2657	249	31	x.	x.	PROPN
eurjchem-2657	249	32	;	;	PUNCT
eurjchem-2657	249	33	patterson	patterson	PROPN
eurjchem-2657	249	34	,	,	PUNCT
eurjchem-2657	249	35	a.	a.	PROPN
eurjchem-2657	249	36	;	;	PUNCT
eurjchem-2657	249	37	smaill	smaill	PROPN
eurjchem-2657	249	38	,	,	PUNCT
eurjchem-2657	249	39	j.	j.	PROPN
eurjchem-2657	249	40	;	;	PUNCT
eurjchem-2657	249	41	ren	ren	PROPN
eurjchem-2657	249	42	,	,	PUNCT
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eurjchem-2657	249	44	;	;	PUNCT
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eurjchem-2657	249	46	,	,	PUNCT
eurjchem-2657	249	47	j.	j.	PROPN
eurjchem-2657	249	48	;	;	PUNCT
eurjchem-2657	249	49	xie	xie	PROPN
eurjchem-2657	249	50	,	,	PUNCT
eurjchem-2657	249	51	h.	h.	PROPN
eurjchem-2657	249	52	;	;	PUNCT
eurjchem-2657	249	53	ding	ding	PROPN
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eurjchem-2657	249	57	-	-	PUNCT
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eurjchem-2657	249	62	co	co	VERB
eurjchem-2657	249	63	-	-	VERB
eurjchem-2657	249	64	targeting	target	VERB
eurjchem-2657	249	65	igf1r	igf1r	X
eurjchem-2657	249	66	and	and	CCONJ
eurjchem-2657	249	67	egfrl858r	egfrl858r	NOUN
eurjchem-2657	249	68	/	/	SYM
eurjchem-2657	249	69	t790	t790	NUM
eurjchem-2657	249	70	m.	m.	NOUN
eurjchem-2657	249	71	bioorganic	bioorganic	NOUN
eurjchem-2657	249	72	&	&	CCONJ
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eurjchem-2657	249	74	chemistry	chemistry	NOUN
eurjchem-2657	249	75	letters	letter	NOUN
eurjchem-2657	249	76	2015	2015	NUM
eurjchem-2657	249	77	,	,	PUNCT
eurjchem-2657	249	78	25	25	NUM
eurjchem-2657	249	79	(	(	PUNCT
eurjchem-2657	249	80	19	19	NUM
eurjchem-2657	249	81	)	)	PUNCT
eurjchem-2657	249	82	,	,	PUNCT
eurjchem-2657	249	83	4277–4281	4277–4281	NUM
eurjchem-2657	249	84	.	.	PUNCT
eurjchem-2657	250	1	[	[	X
eurjchem-2657	250	2	8	8	NUM
eurjchem-2657	250	3	]	]	PUNCT
eurjchem-2657	250	4	.	.	PUNCT
eurjchem-2657	251	1	addepalli	addepalli	PROPN
eurjchem-2657	251	2	,	,	PUNCT
eurjchem-2657	251	3	y.	y.	PROPN
eurjchem-2657	251	4	;	;	PUNCT
eurjchem-2657	251	5	yang	yang	PROPN
eurjchem-2657	251	6	,	,	PUNCT
eurjchem-2657	251	7	x.	x.	PROPN
eurjchem-2657	251	8	;	;	PUNCT
eurjchem-2657	251	9	zhou	zhou	PROPN
eurjchem-2657	251	10	,	,	PUNCT
eurjchem-2657	251	11	m.	m.	NOUN
eurjchem-2657	251	12	;	;	PUNCT
eurjchem-2657	251	13	reddy	reddy	PROPN
eurjchem-2657	251	14	,	,	PUNCT
eurjchem-2657	251	15	d.	d.	PROPN
eurjchem-2657	251	16	p.	p.	PROPN
eurjchem-2657	251	17	;	;	PUNCT
eurjchem-2657	251	18	zhang	zhang	PROPN
eurjchem-2657	251	19	,	,	PUNCT
eurjchem-2657	251	20	s.	s.	PROPN
eurjchem-2657	251	21	;	;	PUNCT
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eurjchem-2657	251	23	,	,	PUNCT
eurjchem-2657	251	24	z.	z.	PROPN
eurjchem-2657	251	25	;	;	PUNCT
eurjchem-2657	251	26	he	he	PRON
eurjchem-2657	251	27	,	,	PUNCT
eurjchem-2657	251	28	y.	y.	NOUN
eurjchem-2657	251	29	synthesis	synthesis	NOUN
eurjchem-2657	251	30	and	and	CCONJ
eurjchem-2657	251	31	anticancer	anticancer	NOUN
eurjchem-2657	251	32	activity	activity	NOUN
eurjchem-2657	251	33	evaluation	evaluation	NOUN
eurjchem-2657	251	34	of	of	ADP
eurjchem-2657	251	35	novel	novel	ADJ
eurjchem-2657	251	36	azacalix[2]arene[2]pyrimidines	azacalix[2]arene[2]pyrimidine	NOUN
eurjchem-2657	251	37	.	.	PUNCT
eurjchem-2657	251	38	eur	eur	PROPN
eurjchem-2657	251	39	.	.	PUNCT
eurjchem-2657	252	1	j.	j.	PROPN
eurjchem-2657	252	2	med	med	PROPN
eurjchem-2657	252	3	.	.	PROPN
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eurjchem-2657	252	5	.	.	PUNCT
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eurjchem-2657	253	2	,	,	PUNCT
eurjchem-2657	253	3	151	151	NUM
eurjchem-2657	253	4	,	,	PUNCT
eurjchem-2657	253	5	214	214	NUM
eurjchem-2657	253	6	–	–	PUNCT
eurjchem-2657	253	7	225	225	NUM
eurjchem-2657	253	8	.	.	PUNCT
eurjchem-2657	254	1	[	[	X
eurjchem-2657	254	2	9	9	NUM
eurjchem-2657	254	3	]	]	PUNCT
eurjchem-2657	254	4	.	.	PUNCT
eurjchem-2657	255	1	siegel	siegel	PROPN
eurjchem-2657	255	2	,	,	PUNCT
eurjchem-2657	255	3	r.	r.	PROPN
eurjchem-2657	255	4	l.	l.	PROPN
eurjchem-2657	255	5	;	;	PUNCT
eurjchem-2657	255	6	miller	miller	PROPN
eurjchem-2657	255	7	,	,	PUNCT
eurjchem-2657	255	8	k.	k.	PROPN
eurjchem-2657	255	9	d.	d.	PROPN
eurjchem-2657	255	10	;	;	PUNCT
eurjchem-2657	255	11	jemal	jemal	ADJ
eurjchem-2657	255	12	,	,	PUNCT
eurjchem-2657	255	13	a.	a.	NOUN
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eurjchem-2657	255	15	statistics	statistic	NOUN
eurjchem-2657	255	16	,	,	PUNCT
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eurjchem-2657	255	18	.	.	PUNCT
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eurjchem-2657	256	3	a.	a.	PROPN
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eurjchem-2657	256	8	,	,	PUNCT
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eurjchem-2657	256	10	(	(	PUNCT
eurjchem-2657	256	11	1	1	NUM
eurjchem-2657	256	12	)	)	PUNCT
eurjchem-2657	256	13	,	,	PUNCT
eurjchem-2657	256	14	7–30	7–30	NOUN
eurjchem-2657	256	15	.	.	PUNCT
eurjchem-2657	257	1	[	[	X
eurjchem-2657	257	2	10	10	NUM
eurjchem-2657	257	3	]	]	PUNCT
eurjchem-2657	257	4	.	.	PUNCT
eurjchem-2657	258	1	vineis	vineis	PROPN
eurjchem-2657	258	2	,	,	PUNCT
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eurjchem-2657	258	4	;	;	PUNCT
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eurjchem-2657	258	6	,	,	PUNCT
eurjchem-2657	258	7	c.	c.	PROPN
eurjchem-2657	258	8	p.	p.	PROPN
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eurjchem-2657	258	11	patterns	pattern	NOUN
eurjchem-2657	258	12	:	:	PUNCT
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eurjchem-2657	258	16	.	.	PUNCT
eurjchem-2657	259	1	lancet	lancet	PROPN
eurjchem-2657	259	2	2014	2014	NUM
eurjchem-2657	259	3	,	,	PUNCT
eurjchem-2657	259	4	383	383	NUM
eurjchem-2657	259	5	(	(	PUNCT
eurjchem-2657	259	6	9916	9916	NUM
eurjchem-2657	259	7	)	)	PUNCT
eurjchem-2657	259	8	,	,	PUNCT
eurjchem-2657	259	9	549–557	549–557	NUM
eurjchem-2657	259	10	.	.	PUNCT
eurjchem-2657	260	1	[	[	X
eurjchem-2657	260	2	11	11	NUM
eurjchem-2657	260	3	]	]	PUNCT
eurjchem-2657	260	4	.	.	PUNCT
eurjchem-2657	260	5	chtita	chtita	PROPN
eurjchem-2657	260	6	,	,	PUNCT
eurjchem-2657	260	7	s.	s.	PROPN
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eurjchem-2657	260	12	hétérocycliques	hétérocyclique	NOUN
eurjchem-2657	260	13	biologiquement	biologiquement	ADJ
eurjchem-2657	260	14	actives	active	NOUN
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eurjchem-2657	260	18	qsar	qsar	PROPN
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eurjchem-2657	260	21	.	.	PUNCT
eurjchem-2657	261	1	recherche	recherche	PROPN
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eurjchem-2657	272	29	t.	t.	PROPN
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eurjchem-2657	272	31	al	al	PROPN
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eurjchem-2657	272	45	a.	a.	NOUN
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eurjchem-2657	273	2	15	15	NUM
eurjchem-2657	273	3	]	]	PUNCT
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eurjchem-2657	277	1	j.	j.	PROPN
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eurjchem-2657	279	2	,	,	PUNCT
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eurjchem-2657	279	8	.	.	PUNCT
eurjchem-2657	280	1	[	[	X
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eurjchem-2657	280	4	.	.	PUNCT
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eurjchem-2657	282	5	,	,	PUNCT
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eurjchem-2657	282	7	,	,	PUNCT
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eurjchem-2657	283	3	]	]	PUNCT
eurjchem-2657	283	4	.	.	PUNCT
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eurjchem-2657	284	3	s.	s.	PROPN
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eurjchem-2657	284	7	,	,	PUNCT
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eurjchem-2657	284	9	;	;	PUNCT
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eurjchem-2657	284	13	;	;	PUNCT
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eurjchem-2657	290	10	,	,	PUNCT
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eurjchem-2657	298	2	22	22	NUM
eurjchem-2657	298	3	]	]	PUNCT
eurjchem-2657	298	4	.	.	PUNCT
eurjchem-2657	299	1	pedersen	pedersen	PROPN
eurjchem-2657	299	2	,	,	PUNCT
eurjchem-2657	299	3	j.	j.	PROPN
eurjchem-2657	299	4	;	;	PUNCT
eurjchem-2657	299	5	mikkelsen	mikkelsen	PROPN
eurjchem-2657	299	6	,	,	PUNCT
eurjchem-2657	299	7	k.	k.	PROPN
eurjchem-2657	299	8	v.	v.	ADP
eurjchem-2657	299	9	a	a	DET
eurjchem-2657	299	10	benchmark	benchmark	NOUN
eurjchem-2657	299	11	study	study	NOUN
eurjchem-2657	299	12	of	of	ADP
eurjchem-2657	299	13	aromaticity	aromaticity	NOUN
eurjchem-2657	299	14	indexes	index	NOUN
eurjchem-2657	299	15	for	for	ADP
eurjchem-2657	299	16	benzene	benzene	NOUN
eurjchem-2657	299	17	,	,	PUNCT
eurjchem-2657	299	18	pyridine	pyridine	NOUN
eurjchem-2657	299	19	and	and	CCONJ
eurjchem-2657	299	20	the	the	DET
eurjchem-2657	299	21	diazines	diazine	NOUN
eurjchem-2657	299	22	–	–	PUNCT
eurjchem-2657	299	23	i.	i.	NOUN
eurjchem-2657	299	24	ground	ground	NOUN
eurjchem-2657	299	25	state	state	NOUN
eurjchem-2657	299	26	aromaticity	aromaticity	NOUN
eurjchem-2657	299	27	.	.	PUNCT
eurjchem-2657	300	1	rsc	rsc	PROPN
eurjchem-2657	300	2	.	.	PUNCT
eurjchem-2657	301	1	adv	adv	PROPN
eurjchem-2657	301	2	.	.	PUNCT
eurjchem-2657	301	3	2022	2022	NUM
eurjchem-2657	301	4	,	,	PUNCT
eurjchem-2657	301	5	12	12	NUM
eurjchem-2657	301	6	(	(	PUNCT
eurjchem-2657	301	7	5	5	NUM
eurjchem-2657	301	8	)	)	PUNCT
eurjchem-2657	301	9	,	,	PUNCT
eurjchem-2657	301	10	2830–2842	2830–2842	NUM
eurjchem-2657	301	11	.	.	PUNCT
eurjchem-2657	302	1	[	[	X
eurjchem-2657	302	2	23	23	NUM
eurjchem-2657	302	3	]	]	PUNCT
eurjchem-2657	302	4	.	.	PUNCT
eurjchem-2657	302	5	gajda	gajda	PROPN
eurjchem-2657	302	6	,	,	PUNCT
eurjchem-2657	302	7	l.	l.	PROPN
eurjchem-2657	302	8	;	;	PUNCT
eurjchem-2657	302	9	kupka	kupka	PROPN
eurjchem-2657	302	10	,	,	PUNCT
eurjchem-2657	302	11	t.	t.	PROPN
eurjchem-2657	302	12	;	;	PUNCT
eurjchem-2657	302	13	broda	broda	PROPN
eurjchem-2657	302	14	,	,	PUNCT
eurjchem-2657	302	15	m.	m.	NOUN
eurjchem-2657	302	16	a.	a.	NOUN
eurjchem-2657	302	17	solvent	solvent	PROPN
eurjchem-2657	302	18	impact	impact	NOUN
eurjchem-2657	302	19	on	on	ADP
eurjchem-2657	302	20	the	the	DET
eurjchem-2657	302	21	planarity	planarity	NOUN
eurjchem-2657	302	22	and	and	CCONJ
eurjchem-2657	302	23	aromaticity	aromaticity	NOUN
eurjchem-2657	302	24	of	of	ADP
eurjchem-2657	302	25	free	free	ADJ
eurjchem-2657	302	26	and	and	CCONJ
eurjchem-2657	302	27	monohydrated	monohydrated	ADJ
eurjchem-2657	302	28	zinc	zinc	NOUN
eurjchem-2657	302	29	phthalocyanine	phthalocyanine	NOUN
eurjchem-2657	302	30	:	:	PUNCT
eurjchem-2657	302	31	a	a	DET
eurjchem-2657	302	32	theoretical	theoretical	ADJ
eurjchem-2657	302	33	study	study	NOUN
eurjchem-2657	302	34	.	.	PUNCT
eurjchem-2657	303	1	struct	struct	NOUN
eurjchem-2657	303	2	.	.	PUNCT
eurjchem-2657	304	1	chem	chem	NOUN
eurjchem-2657	304	2	.	.	PUNCT
eurjchem-2657	305	1	2017	2017	NUM
eurjchem-2657	305	2	,	,	PUNCT
eurjchem-2657	305	3	29	29	NUM
eurjchem-2657	305	4	(	(	PUNCT
eurjchem-2657	305	5	3	3	NUM
eurjchem-2657	305	6	)	)	PUNCT
eurjchem-2657	305	7	,	,	PUNCT
eurjchem-2657	305	8	667–679	667–679	NUM
eurjchem-2657	305	9	.	.	PUNCT
eurjchem-2657	306	1	[	[	X
eurjchem-2657	306	2	24	24	NUM
eurjchem-2657	306	3	]	]	PUNCT
eurjchem-2657	306	4	.	.	PUNCT
eurjchem-2657	307	1	lu	lu	PROPN
eurjchem-2657	307	2	,	,	PUNCT
eurjchem-2657	307	3	t.	t.	PROPN
eurjchem-2657	307	4	;	;	PUNCT
eurjchem-2657	307	5	chen	chen	PROPN
eurjchem-2657	307	6	,	,	PUNCT
eurjchem-2657	307	7	f.	f.	PROPN
eurjchem-2657	307	8	multiwfn	multiwfn	PROPN
eurjchem-2657	307	9	:	:	PUNCT
eurjchem-2657	307	10	a	a	DET
eurjchem-2657	307	11	multifunctional	multifunctional	ADJ
eurjchem-2657	307	12	wavefunction	wavefunction	NOUN
eurjchem-2657	307	13	analyzer	analyzer	NOUN
eurjchem-2657	307	14	.	.	PUNCT
eurjchem-2657	308	1	j.	j.	PROPN
eurjchem-2657	308	2	comput	comput	PROPN
eurjchem-2657	308	3	.	.	PUNCT
eurjchem-2657	309	1	chem	chem	NOUN
eurjchem-2657	309	2	.	.	PUNCT
eurjchem-2657	310	1	2011	2011	NUM
eurjchem-2657	310	2	,	,	PUNCT
eurjchem-2657	310	3	33	33	NUM
eurjchem-2657	310	4	(	(	PUNCT
eurjchem-2657	310	5	5	5	NUM
eurjchem-2657	310	6	)	)	PUNCT
eurjchem-2657	310	7	,	,	PUNCT
eurjchem-2657	310	8	580–592	580–592	NUM
eurjchem-2657	310	9	.	.	PUNCT
eurjchem-2657	311	1	[	[	X
eurjchem-2657	311	2	25	25	NUM
eurjchem-2657	311	3	]	]	PUNCT
eurjchem-2657	311	4	.	.	PUNCT
eurjchem-2657	311	5	parr	parr	PROPN
eurjchem-2657	311	6	,	,	PUNCT
eurjchem-2657	311	7	r.	r.	PROPN
eurjchem-2657	311	8	g.	g.	PROPN
eurjchem-2657	311	9	;	;	PUNCT
eurjchem-2657	311	10	pearson	pearson	PROPN
eurjchem-2657	311	11	,	,	PUNCT
eurjchem-2657	311	12	r.	r.	PROPN
eurjchem-2657	311	13	g.	g.	PROPN
eurjchem-2657	311	14	absolute	absolute	PROPN
eurjchem-2657	311	15	hardness	hardness	NOUN
eurjchem-2657	311	16	:	:	PUNCT
eurjchem-2657	311	17	companion	companion	NOUN
eurjchem-2657	311	18	parameter	parameter	NOUN
eurjchem-2657	311	19	to	to	ADP
eurjchem-2657	311	20	absolute	absolute	ADJ
eurjchem-2657	311	21	electronegativity	electronegativity	NOUN
eurjchem-2657	311	22	.	.	PUNCT
eurjchem-2657	312	1	j.	j.	PROPN
eurjchem-2657	312	2	am	am	PROPN
eurjchem-2657	312	3	.	.	PUNCT
eurjchem-2657	313	1	chem	chem	NOUN
eurjchem-2657	313	2	.	.	PUNCT
eurjchem-2657	314	1	soc	soc	PROPN
eurjchem-2657	314	2	.	.	PUNCT
eurjchem-2657	315	1	1983	1983	NUM
eurjchem-2657	315	2	,	,	PUNCT
eurjchem-2657	315	3	105	105	NUM
eurjchem-2657	315	4	(	(	PUNCT
eurjchem-2657	315	5	26	26	NUM
eurjchem-2657	315	6	)	)	PUNCT
eurjchem-2657	315	7	,	,	PUNCT
eurjchem-2657	315	8	7512	7512	NUM
eurjchem-2657	315	9	–	–	PUNCT
eurjchem-2657	315	10	7516	7516	NUM
eurjchem-2657	315	11	.	.	PUNCT
eurjchem-2657	316	1	[	[	X
eurjchem-2657	316	2	26	26	NUM
eurjchem-2657	316	3	]	]	PUNCT
eurjchem-2657	316	4	.	.	PUNCT
eurjchem-2657	317	1	omer	omer	PROPN
eurjchem-2657	317	2	,	,	PUNCT
eurjchem-2657	317	3	r.	r.	PROPN
eurjchem-2657	317	4	;	;	PUNCT
eurjchem-2657	317	5	ahmed	ahmed	PROPN
eurjchem-2657	317	6	,	,	PUNCT
eurjchem-2657	317	7	l.	l.	PROPN
eurjchem-2657	317	8	;	;	PUNCT
eurjchem-2657	317	9	qader	qader	NOUN
eurjchem-2657	317	10	,	,	PUNCT
eurjchem-2657	317	11	i.	i.	NOUN
eurjchem-2657	317	12	;	;	PUNCT
eurjchem-2657	317	13	koparir	koparir	NOUN
eurjchem-2657	317	14	,	,	PUNCT
eurjchem-2657	317	15	p.	p.	NOUN
eurjchem-2657	317	16	theoretical	theoretical	ADJ
eurjchem-2657	317	17	analysis	analysis	NOUN
eurjchem-2657	317	18	of	of	ADP
eurjchem-2657	317	19	the	the	DET
eurjchem-2657	317	20	reactivity	reactivity	NOUN
eurjchem-2657	317	21	of	of	ADP
eurjchem-2657	317	22	carmustine	carmustine	NOUN
eurjchem-2657	317	23	and	and	CCONJ
eurjchem-2657	317	24	lomustine	lomustine	ADJ
eurjchem-2657	317	25	drugs	drug	NOUN
eurjchem-2657	317	26	.	.	PUNCT
eurjchem-2657	318	1	journal	journal	PROPN
eurjchem-2657	318	2	of	of	ADP
eurjchem-2657	318	3	physical	physical	ADJ
eurjchem-2657	318	4	chemistry	chemistry	NOUN
eurjchem-2657	318	5	and	and	CCONJ
eurjchem-2657	318	6	functional	functional	ADJ
eurjchem-2657	318	7	materials	material	NOUN
eurjchem-2657	318	8	2022	2022	NUM
eurjchem-2657	318	9	,	,	PUNCT
eurjchem-2657	318	10	5	5	NUM
eurjchem-2657	318	11	(	(	PUNCT
eurjchem-2657	318	12	1	1	NUM
eurjchem-2657	318	13	)	)	PUNCT
eurjchem-2657	318	14	,	,	PUNCT
eurjchem-2657	318	15	84–96	84–96	NUM
eurjchem-2657	318	16	.	.	PUNCT
eurjchem-2657	319	1	[	[	X
eurjchem-2657	319	2	27	27	NUM
eurjchem-2657	319	3	]	]	PUNCT
eurjchem-2657	319	4	.	.	PUNCT
eurjchem-2657	320	1	scrocco	scrocco	PROPN
eurjchem-2657	320	2	,	,	PUNCT
eurjchem-2657	320	3	e.	e.	PROPN
eurjchem-2657	320	4	;	;	PUNCT
eurjchem-2657	320	5	tomasi	tomasi	PROPN
eurjchem-2657	320	6	,	,	PUNCT
eurjchem-2657	320	7	j.	j.	PROPN
eurjchem-2657	320	8	the	the	DET
eurjchem-2657	320	9	electrostatic	electrostatic	ADJ
eurjchem-2657	320	10	molecular	molecular	ADJ
eurjchem-2657	320	11	potential	potential	NOUN
eurjchem-2657	320	12	as	as	ADP
eurjchem-2657	320	13	a	a	DET
eurjchem-2657	320	14	tool	tool	NOUN
eurjchem-2657	320	15	for	for	ADP
eurjchem-2657	320	16	the	the	DET
eurjchem-2657	320	17	interpretation	interpretation	NOUN
eurjchem-2657	320	18	of	of	ADP
eurjchem-2657	320	19	molecular	molecular	ADJ
eurjchem-2657	320	20	properties	property	NOUN
eurjchem-2657	320	21	.	.	PUNCT
eurjchem-2657	321	1	in	in	ADP
eurjchem-2657	321	2	topics	topic	NOUN
eurjchem-2657	321	3	in	in	ADP
eurjchem-2657	321	4	current	current	ADJ
eurjchem-2657	321	5	chemistry	chemistry	NOUN
eurjchem-2657	321	6	fortschritte	fortschritte	NOUN
eurjchem-2657	321	7	der	der	PROPN
eurjchem-2657	321	8	chemischen	chemischen	PROPN
eurjchem-2657	321	9	forschung	forschung	PROPN
eurjchem-2657	321	10	;	;	PUNCT
eurjchem-2657	321	11	springer	springer	PROPN
eurjchem-2657	321	12	berlin	berlin	PROPN
eurjchem-2657	321	13	heidelberg	heidelberg	PROPN
eurjchem-2657	321	14	:	:	PUNCT
eurjchem-2657	321	15	berlin	berlin	PROPN
eurjchem-2657	321	16	,	,	PUNCT
eurjchem-2657	321	17	heidelberg	heidelberg	PROPN
eurjchem-2657	321	18	,	,	PUNCT
eurjchem-2657	321	19	2007	2007	NUM
eurjchem-2657	321	20	;	;	PUNCT
eurjchem-2657	321	21	pp	pp	PROPN
eurjchem-2657	321	22	95–170	95–170	NUM
eurjchem-2657	321	23	.	.	PUNCT
eurjchem-2657	322	1	[	[	X
eurjchem-2657	322	2	28	28	NUM
eurjchem-2657	322	3	]	]	PUNCT
eurjchem-2657	322	4	.	.	PUNCT
eurjchem-2657	323	1	gadre	gadre	PROPN
eurjchem-2657	323	2	,	,	PUNCT
eurjchem-2657	323	3	s.	s.	PROPN
eurjchem-2657	323	4	r.	r.	PROPN
eurjchem-2657	323	5	;	;	PUNCT
eurjchem-2657	323	6	suresh	suresh	PROPN
eurjchem-2657	323	7	,	,	PUNCT
eurjchem-2657	323	8	c.	c.	PROPN
eurjchem-2657	323	9	h.	h.	PROPN
eurjchem-2657	323	10	;	;	PUNCT
eurjchem-2657	323	11	mohan	mohan	PROPN
eurjchem-2657	323	12	,	,	PUNCT
eurjchem-2657	323	13	n.	n.	PROPN
eurjchem-2657	323	14	electrostatic	electrostatic	ADJ
eurjchem-2657	323	15	potential	potential	ADJ
eurjchem-2657	323	16	topology	topology	NOUN
eurjchem-2657	323	17	for	for	ADP
eurjchem-2657	323	18	probing	probe	VERB
eurjchem-2657	323	19	molecular	molecular	ADJ
eurjchem-2657	323	20	structure	structure	NOUN
eurjchem-2657	323	21	,	,	PUNCT
eurjchem-2657	323	22	bonding	bonding	NOUN
eurjchem-2657	323	23	and	and	CCONJ
eurjchem-2657	323	24	reactivity	reactivity	NOUN
eurjchem-2657	323	25	.	.	PUNCT
eurjchem-2657	324	1	molecules	molecule	NOUN
eurjchem-2657	324	2	2021	2021	NUM
eurjchem-2657	324	3	,	,	PUNCT
eurjchem-2657	324	4	26	26	NUM
eurjchem-2657	324	5	,	,	PUNCT
eurjchem-2657	324	6	3289	3289	NUM
eurjchem-2657	324	7	.	.	PUNCT
eurjchem-2657	325	1	[	[	X
eurjchem-2657	325	2	29	29	NUM
eurjchem-2657	325	3	]	]	PUNCT
eurjchem-2657	325	4	.	.	PUNCT
eurjchem-2657	326	1	tanış	tanış	PROPN
eurjchem-2657	326	2	,	,	PUNCT
eurjchem-2657	326	3	e.	e.	PROPN
eurjchem-2657	326	4	;	;	PUNCT
eurjchem-2657	326	5	babur	babur	PROPN
eurjchem-2657	326	6	sas	sas	PROPN
eurjchem-2657	326	7	,	,	PUNCT
eurjchem-2657	326	8	e.	e.	PROPN
eurjchem-2657	326	9	;	;	PUNCT
eurjchem-2657	326	10	kurban	kurban	PROPN
eurjchem-2657	326	11	,	,	PUNCT
eurjchem-2657	326	12	m.	m.	NOUN
eurjchem-2657	326	13	;	;	PUNCT
eurjchem-2657	326	14	kurt	kurt	PROPN
eurjchem-2657	326	15	,	,	PUNCT
eurjchem-2657	326	16	m.	m.	NOUN
eurjchem-2657	326	17	the	the	DET
eurjchem-2657	326	18	structural	structural	ADJ
eurjchem-2657	326	19	,	,	PUNCT
eurjchem-2657	326	20	electronic	electronic	ADJ
eurjchem-2657	326	21	and	and	CCONJ
eurjchem-2657	326	22	spectroscopic	spectroscopic	ADJ
eurjchem-2657	326	23	properties	property	NOUN
eurjchem-2657	326	24	of	of	ADP
eurjchem-2657	326	25	4fpbape	4fpbape	NUM
eurjchem-2657	326	26	molecule	molecule	NOUN
eurjchem-2657	326	27	:	:	PUNCT
eurjchem-2657	326	28	experimental	experimental	ADJ
eurjchem-2657	326	29	and	and	CCONJ
eurjchem-2657	326	30	theoretical	theoretical	ADJ
eurjchem-2657	326	31	study	study	NOUN
eurjchem-2657	326	32	.	.	PUNCT
eurjchem-2657	327	1	j.	j.	PROPN
eurjchem-2657	327	2	mol	mol	PROPN
eurjchem-2657	327	3	.	.	PROPN
eurjchem-2657	327	4	struc	struc	PROPN
eurjchem-2657	327	5	.	.	PUNCT
eurjchem-2657	328	1	2018	2018	NUM
eurjchem-2657	328	2	,	,	PUNCT
eurjchem-2657	328	3	1154	1154	NUM
eurjchem-2657	328	4	,	,	PUNCT
eurjchem-2657	328	5	301–318	301–318	NUM
eurjchem-2657	328	6	.	.	PUNCT
eurjchem-2657	329	1	[	[	X
eurjchem-2657	329	2	30	30	NUM
eurjchem-2657	329	3	]	]	PUNCT
eurjchem-2657	329	4	.	.	PUNCT
eurjchem-2657	330	1	sherefedin	sherefedin	VERB
eurjchem-2657	330	2	,	,	PUNCT
eurjchem-2657	330	3	u.	u.	PROPN
eurjchem-2657	330	4	;	;	PUNCT
eurjchem-2657	330	5	belay	belay	NOUN
eurjchem-2657	330	6	,	,	PUNCT
eurjchem-2657	330	7	a.	a.	NOUN
eurjchem-2657	330	8	;	;	PUNCT
eurjchem-2657	330	9	gudishe	gudishe	PROPN
eurjchem-2657	330	10	,	,	PUNCT
eurjchem-2657	330	11	k.	k.	PROPN
eurjchem-2657	330	12	;	;	PUNCT
eurjchem-2657	330	13	kebede	kebede	PROPN
eurjchem-2657	330	14	,	,	PUNCT
eurjchem-2657	330	15	a.	a.	NOUN
eurjchem-2657	330	16	;	;	PUNCT
eurjchem-2657	330	17	kumela	kumela	PROPN
eurjchem-2657	330	18	,	,	PUNCT
eurjchem-2657	330	19	a.	a.	PROPN
eurjchem-2657	330	20	g.	g.	PROPN
eurjchem-2657	330	21	;	;	PUNCT
eurjchem-2657	330	22	wakjira	wakjira	PROPN
eurjchem-2657	330	23	,	,	PUNCT
eurjchem-2657	330	24	t.	t.	PROPN
eurjchem-2657	330	25	l.	l.	PROPN
eurjchem-2657	330	26	;	;	PUNCT
eurjchem-2657	330	27	asemare	asemare	PROPN
eurjchem-2657	330	28	,	,	PUNCT
eurjchem-2657	330	29	s.	s.	PROPN
eurjchem-2657	330	30	;	;	PUNCT
eurjchem-2657	330	31	gurumurthi	gurumurthi	PROPN
eurjchem-2657	330	32	,	,	PUNCT
eurjchem-2657	330	33	t.	t.	NOUN
eurjchem-2657	330	34	effects	effect	NOUN
eurjchem-2657	330	35	of	of	ADP
eurjchem-2657	330	36	temperature	temperature	NOUN
eurjchem-2657	330	37	and	and	CCONJ
eurjchem-2657	330	38	solvent	solvent	ADJ
eurjchem-2657	330	39	polarity	polarity	NOUN
eurjchem-2657	330	40	on	on	ADP
eurjchem-2657	330	41	the	the	DET
eurjchem-2657	330	42	thermodynamic	thermodynamic	ADJ
eurjchem-2657	330	43	and	and	CCONJ
eurjchem-2657	330	44	photophysical	photophysical	ADJ
eurjchem-2657	330	45	properties	property	NOUN
eurjchem-2657	330	46	of	of	ADP
eurjchem-2657	330	47	ferulic	ferulic	ADJ
eurjchem-2657	330	48	acid	acid	NOUN
eurjchem-2657	330	49	using	use	VERB
eurjchem-2657	330	50	density	density	NOUN
eurjchem-2657	330	51	functional	functional	ADJ
eurjchem-2657	330	52	theory	theory	NOUN
eurjchem-2657	330	53	(	(	PUNCT
eurjchem-2657	330	54	dft	dft	PROPN
eurjchem-2657	330	55	)	)	PUNCT
eurjchem-2657	330	56	.	.	PUNCT
eurjchem-2657	331	1	journal	journal	NOUN
eurjchem-2657	331	2	of	of	ADP
eurjchem-2657	331	3	molecular	molecular	ADJ
eurjchem-2657	331	4	liquids	liquid	NOUN
eurjchem-2657	331	5	2024	2024	NUM
eurjchem-2657	331	6	,	,	PUNCT
eurjchem-2657	331	7	407	407	NUM
eurjchem-2657	331	8	,	,	PUNCT
eurjchem-2657	331	9	125175	125175	NUM
eurjchem-2657	331	10	.	.	PUNCT
eurjchem-2657	332	1	[	[	X
eurjchem-2657	332	2	31	31	NUM
eurjchem-2657	332	3	]	]	PUNCT
eurjchem-2657	332	4	.	.	PUNCT
eurjchem-2657	333	1	huang	huang	PROPN
eurjchem-2657	333	2	,	,	PUNCT
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eurjchem-2657	333	5	zun	zun	PROPN
eurjchem-2657	333	6	,	,	PUNCT
eurjchem-2657	333	7	y.	y.	PROPN
eurjchem-2657	333	8	;	;	PUNCT
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eurjchem-2657	333	10	,	,	PUNCT
eurjchem-2657	333	11	y.	y.	PROPN
eurjchem-2657	333	12	;	;	PUNCT
eurjchem-2657	333	13	hu	hu	PROPN
eurjchem-2657	333	14	,	,	PUNCT
eurjchem-2657	333	15	x.	x.	PROPN
eurjchem-2657	333	16	;	;	PUNCT
eurjchem-2657	333	17	sha	sha	PROPN
eurjchem-2657	333	18	,	,	PUNCT
eurjchem-2657	333	19	j.	j.	PROPN
eurjchem-2657	333	20	;	;	PUNCT
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eurjchem-2657	333	22	,	,	PUNCT
eurjchem-2657	333	23	y.	y.	PROPN
eurjchem-2657	333	24	;	;	PUNCT
eurjchem-2657	333	25	li	li	PROPN
eurjchem-2657	333	26	,	,	PUNCT
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eurjchem-2657	333	60	3	3	NUM
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eurjchem-2657	333	62	(	(	PUNCT
eurjchem-2657	333	63	2025	2025	NUM
eurjchem-2657	333	64	)	)	PUNCT
eurjchem-2657	333	65	267	267	NUM
eurjchem-2657	333	66	-	-	SYM
eurjchem-2657	333	67	274	274	NUM
eurjchem-2657	333	68	2025	2025	NUM
eurjchem-2657	333	69	–	–	PUNCT
eurjchem-2657	333	70	european	european	ADJ
eurjchem-2657	333	71	journal	journal	NOUN
eurjchem-2657	333	72	of	of	ADP
eurjchem-2657	333	73	chemistry	chemistry	NOUN
eurjchem-2657	333	74	–	–	PUNCT
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eurjchem-2657	333	76	by	by	ADP
eurjchem-2657	333	77	nc	nc	PROPN
eurjchem-2657	333	78	–	–	PUNCT
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eurjchem-2657	333	80	:	:	PUNCT
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eurjchem-2657	333	83	eurjchem.16.3.267	eurjchem.16.3.267	NUM
eurjchem-2657	333	84	-	-	PUNCT
eurjchem-2657	333	85	274.2657	274.2657	NUM
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eurjchem-2657	333	87	of	of	ADP
eurjchem-2657	333	88	ipriflavone	ipriflavone	NOUN
eurjchem-2657	333	89	in	in	ADP
eurjchem-2657	333	90	twelve	twelve	NUM
eurjchem-2657	333	91	pure	pure	ADJ
eurjchem-2657	333	92	solvents	solvent	NOUN
eurjchem-2657	333	93	at	at	ADP
eurjchem-2657	333	94	various	various	ADJ
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eurjchem-2657	333	96	.	.	PUNCT
eurjchem-2657	334	1	j.	j.	PROPN
eurjchem-2657	334	2	chem	chem	PROPN
eurjchem-2657	334	3	.	.	PUNCT
eurjchem-2657	335	1	thermodyn	thermodyn	NOUN
eurjchem-2657	335	2	.	.	PUNCT
eurjchem-2657	336	1	2020	2020	NUM
eurjchem-2657	336	2	,	,	PUNCT
eurjchem-2657	336	3	150	150	NUM
eurjchem-2657	336	4	(	(	PUNCT
eurjchem-2657	336	5	106231	106231	NUM
eurjchem-2657	336	6	)	)	PUNCT
eurjchem-2657	336	7	,	,	PUNCT
eurjchem-2657	336	8	106231	106231	NUM
eurjchem-2657	336	9	.	.	PUNCT
eurjchem-2657	337	1	[	[	X
eurjchem-2657	337	2	32	32	NUM
eurjchem-2657	337	3	]	]	PUNCT
eurjchem-2657	337	4	.	.	PUNCT
eurjchem-2657	338	1	li	li	PROPN
eurjchem-2657	338	2	,	,	PUNCT
eurjchem-2657	338	3	t.	t.	PROPN
eurjchem-2657	338	4	;	;	PUNCT
eurjchem-2657	338	5	zhu	zhu	PROPN
eurjchem-2657	338	6	,	,	PUNCT
eurjchem-2657	338	7	l.	l.	PROPN
eurjchem-2657	338	8	;	;	PUNCT
eurjchem-2657	338	9	li	li	PROPN
eurjchem-2657	338	10	,	,	PUNCT
eurjchem-2657	338	11	j.	j.	PROPN
eurjchem-2657	338	12	;	;	PUNCT
eurjchem-2657	338	13	cao	cao	PROPN
eurjchem-2657	338	14	,	,	PUNCT
eurjchem-2657	338	15	z.	z.	PROPN
eurjchem-2657	338	16	;	;	PUNCT
eurjchem-2657	338	17	sha	sha	PROPN
eurjchem-2657	338	18	,	,	PUNCT
eurjchem-2657	338	19	j.	j.	PROPN
eurjchem-2657	338	20	;	;	PUNCT
eurjchem-2657	338	21	li	li	PROPN
eurjchem-2657	338	22	,	,	PUNCT
eurjchem-2657	338	23	y.	y.	PROPN
eurjchem-2657	338	24	;	;	PUNCT
eurjchem-2657	338	25	ren	ren	PROPN
eurjchem-2657	338	26	,	,	PUNCT
eurjchem-2657	338	27	b.	b.	PROPN
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eurjchem-2657	338	29	,	,	PUNCT
eurjchem-2657	338	30	thermodynamic	thermodynamic	ADJ
eurjchem-2657	338	31	properties	property	NOUN
eurjchem-2657	338	32	and	and	CCONJ
eurjchem-2657	338	33	molecular	molecular	ADJ
eurjchem-2657	338	34	simulation	simulation	NOUN
eurjchem-2657	338	35	of	of	ADP
eurjchem-2657	338	36	tinidazole	tinidazole	NOUN
eurjchem-2657	338	37	in	in	ADP
eurjchem-2657	338	38	fourteen	fourteen	NUM
eurjchem-2657	338	39	mono	mono	NOUN
eurjchem-2657	338	40	-	-	PUNCT
eurjchem-2657	338	41	solvents	solvent	NOUN
eurjchem-2657	338	42	at	at	ADP
eurjchem-2657	338	43	different	different	ADJ
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eurjchem-2657	338	45	.	.	PUNCT
eurjchem-2657	339	1	the	the	DET
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eurjchem-2657	339	3	of	of	ADP
eurjchem-2657	339	4	chemical	chemical	PROPN
eurjchem-2657	339	5	thermodynamics	thermodynamic	NOUN
eurjchem-2657	339	6	2022	2022	NUM
eurjchem-2657	339	7	,	,	PUNCT
eurjchem-2657	339	8	170	170	NUM
eurjchem-2657	339	9	,	,	PUNCT
eurjchem-2657	339	10	106767	106767	NUM
eurjchem-2657	339	11	.	.	PUNCT
eurjchem-2657	340	1	copyright	copyright	NOUN
eurjchem-2657	340	2	©	©	PROPN
eurjchem-2657	340	3	2025	2025	NUM
eurjchem-2657	340	4	by	by	ADP
eurjchem-2657	340	5	authors	author	NOUN
eurjchem-2657	340	6	.	.	PUNCT
eurjchem-2657	341	1	this	this	DET
eurjchem-2657	341	2	work	work	NOUN
eurjchem-2657	341	3	is	be	AUX
eurjchem-2657	341	4	published	publish	VERB
eurjchem-2657	341	5	and	and	CCONJ
eurjchem-2657	341	6	licensed	license	VERB
eurjchem-2657	341	7	by	by	ADP
eurjchem-2657	341	8	atlanta	atlanta	PROPN
eurjchem-2657	341	9	publishing	publishing	PROPN
eurjchem-2657	341	10	house	house	PROPN
eurjchem-2657	341	11	llc	llc	PROPN
eurjchem-2657	341	12	,	,	PUNCT
eurjchem-2657	341	13	atlanta	atlanta	PROPN
eurjchem-2657	341	14	,	,	PUNCT
eurjchem-2657	341	15	ga	ga	PROPN
eurjchem-2657	341	16	,	,	PUNCT
eurjchem-2657	341	17	usa	usa	PROPN
eurjchem-2657	341	18	.	.	PUNCT
eurjchem-2657	342	1	the	the	DET
eurjchem-2657	342	2	full	full	ADJ
eurjchem-2657	342	3	terms	term	NOUN
eurjchem-2657	342	4	of	of	ADP
eurjchem-2657	342	5	this	this	DET
eurjchem-2657	342	6	license	license	NOUN
eurjchem-2657	342	7	are	be	AUX
eurjchem-2657	342	8	available	available	ADJ
eurjchem-2657	342	9	at	at	ADP
eurjchem-2657	342	10	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2657	342	11	and	and	CCONJ
eurjchem-2657	342	12	incorporate	incorporate	VERB
eurjchem-2657	342	13	the	the	DET
eurjchem-2657	342	14	creative	creative	ADJ
eurjchem-2657	342	15	commons	common	NOUN
eurjchem-2657	342	16	attribution	attribution	NOUN
eurjchem-2657	342	17	-	-	PUNCT
eurjchem-2657	342	18	non	non	ADJ
eurjchem-2657	342	19	commercial	commercial	NOUN
eurjchem-2657	342	20	(	(	PUNCT
eurjchem-2657	342	21	cc	cc	NOUN
eurjchem-2657	342	22	by	by	ADP
eurjchem-2657	342	23	nc	nc	PROPN
eurjchem-2657	342	24	)	)	PUNCT
eurjchem-2657	342	25	(	(	PUNCT
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eurjchem-2657	342	29	)	)	PUNCT
eurjchem-2657	342	30	license	license	NOUN
eurjchem-2657	342	31	(	(	PUNCT
eurjchem-2657	342	32	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	NOUN
eurjchem-2657	342	33	)	)	PUNCT
eurjchem-2657	342	34	.	.	PUNCT
eurjchem-2657	343	1	by	by	ADP
eurjchem-2657	343	2	accessing	access	VERB
eurjchem-2657	343	3	the	the	DET
eurjchem-2657	343	4	work	work	NOUN
eurjchem-2657	343	5	,	,	PUNCT
eurjchem-2657	343	6	you	you	PRON
eurjchem-2657	343	7	hereby	hereby	ADV
eurjchem-2657	343	8	accept	accept	VERB
eurjchem-2657	343	9	the	the	DET
eurjchem-2657	343	10	terms	term	NOUN
eurjchem-2657	343	11	.	.	PUNCT
eurjchem-2657	344	1	this	this	PRON
eurjchem-2657	344	2	is	be	AUX
eurjchem-2657	344	3	an	an	DET
eurjchem-2657	344	4	open	open	ADJ
eurjchem-2657	344	5	access	access	NOUN
eurjchem-2657	344	6	article	article	NOUN
eurjchem-2657	344	7	distributed	distribute	VERB
eurjchem-2657	344	8	under	under	ADP
eurjchem-2657	344	9	the	the	DET
eurjchem-2657	344	10	terms	term	NOUN
eurjchem-2657	344	11	and	and	CCONJ
eurjchem-2657	344	12	conditions	condition	NOUN
eurjchem-2657	344	13	of	of	ADP
eurjchem-2657	344	14	the	the	DET
eurjchem-2657	344	15	cc	cc	PROPN
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eurjchem-2657	344	17	nc	nc	PROPN
eurjchem-2657	344	18	license	license	PROPN
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eurjchem-2657	344	21	permits	permit	VERB
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eurjchem-2657	344	23	non	non	ADJ
eurjchem-2657	344	24	-	-	ADJ
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eurjchem-2657	344	27	,	,	PUNCT
eurjchem-2657	344	28	distribution	distribution	NOUN
eurjchem-2657	344	29	,	,	PUNCT
eurjchem-2657	344	30	and	and	CCONJ
eurjchem-2657	344	31	reproduction	reproduction	NOUN
eurjchem-2657	344	32	in	in	ADP
eurjchem-2657	344	33	any	any	DET
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eurjchem-2657	344	37	the	the	DET
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eurjchem-2657	344	44	any	any	DET
eurjchem-2657	344	45	further	further	ADJ
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eurjchem-2657	344	47	from	from	ADP
eurjchem-2657	344	48	atlanta	atlanta	PROPN
eurjchem-2657	344	49	publishing	publishing	PROPN
eurjchem-2657	344	50	house	house	PROPN
eurjchem-2657	344	51	llc	llc	PROPN
eurjchem-2657	344	52	(	(	PUNCT
eurjchem-2657	344	53	european	european	PROPN
eurjchem-2657	344	54	journal	journal	PROPN
eurjchem-2657	344	55	of	of	ADP
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eurjchem-2657	344	57	)	)	PUNCT
eurjchem-2657	344	58	.	.	PUNCT
eurjchem-2657	345	1	no	no	DET
eurjchem-2657	345	2	use	use	NOUN
eurjchem-2657	345	3	,	,	PUNCT
eurjchem-2657	345	4	distribution	distribution	NOUN
eurjchem-2657	345	5	,	,	PUNCT
eurjchem-2657	345	6	or	or	CCONJ
eurjchem-2657	345	7	reproduction	reproduction	NOUN
eurjchem-2657	345	8	is	be	AUX
eurjchem-2657	345	9	permitted	permit	VERB
eurjchem-2657	345	10	which	which	PRON
eurjchem-2657	345	11	does	do	AUX
eurjchem-2657	345	12	not	not	PART
eurjchem-2657	345	13	comply	comply	VERB
eurjchem-2657	345	14	with	with	ADP
eurjchem-2657	345	15	these	these	DET
eurjchem-2657	345	16	terms	term	NOUN
eurjchem-2657	345	17	.	.	PUNCT
eurjchem-2657	346	1	permissions	permission	NOUN
eurjchem-2657	346	2	for	for	ADP
eurjchem-2657	346	3	commercial	commercial	ADJ
eurjchem-2657	346	4	use	use	NOUN
eurjchem-2657	346	5	of	of	ADP
eurjchem-2657	346	6	this	this	DET
eurjchem-2657	346	7	work	work	NOUN
eurjchem-2657	346	8	beyond	beyond	ADP
eurjchem-2657	346	9	the	the	DET
eurjchem-2657	346	10	scope	scope	NOUN
eurjchem-2657	346	11	of	of	ADP
eurjchem-2657	346	12	the	the	DET
eurjchem-2657	346	13	license	license	NOUN
eurjchem-2657	346	14	(	(	PUNCT
eurjchem-2657	346	15	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2657	346	16	)	)	PUNCT
eurjchem-2657	346	17	are	be	AUX
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eurjchem-2657	346	20	atlanta	atlanta	PROPN
eurjchem-2657	346	21	publishing	publishing	PROPN
eurjchem-2657	346	22	house	house	PROPN
eurjchem-2657	346	23	llc	llc	PROPN
eurjchem-2657	346	24	(	(	PUNCT
eurjchem-2657	346	25	european	european	PROPN
eurjchem-2657	346	26	journal	journal	PROPN
eurjchem-2657	346	27	of	of	ADP
eurjchem-2657	346	28	chemistry	chemistry	NOUN
eurjchem-2657	346	29	)	)	PUNCT
eurjchem-2657	346	30	.	.	PUNCT
eurjchem-2657	347	1	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	VERB
eurjchem-2657	347	2	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-2657	347	3	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2657	347	4	1	1	NUM
eurjchem-2657	347	5	.	.	PUNCT
eurjchem-2657	348	1	introduction	introduction	NOUN
eurjchem-2657	348	2	2	2	NUM
eurjchem-2657	348	3	.	.	PUNCT
eurjchem-2657	348	4	experimental	experimental	ADJ
eurjchem-2657	348	5	3	3	NUM
eurjchem-2657	348	6	.	.	PUNCT
eurjchem-2657	348	7	results	result	NOUN
eurjchem-2657	348	8	and	and	CCONJ
eurjchem-2657	348	9	discussion	discussion	NOUN
eurjchem-2657	348	10	4	4	NUM
eurjchem-2657	348	11	.	.	PUNCT
eurjchem-2657	349	1	conclusions	conclusion	NOUN
eurjchem-2657	349	2	disclosure	disclosure	NOUN
eurjchem-2657	349	3	statement	statement	NOUN
eurjchem-2657	349	4	credit	credit	NOUN
eurjchem-2657	349	5	authorship	authorship	NOUN
eurjchem-2657	349	6	contribution	contribution	NOUN
eurjchem-2657	349	7	statement	statement	NOUN
eurjchem-2657	349	8	orcid	orcid	NOUN
eurjchem-2657	349	9	and	and	CCONJ
eurjchem-2657	349	10	email	email	NOUN
eurjchem-2657	349	11	references	reference	NOUN
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eurjchem-2657	349	13	:	:	PUNCT
eurjchem-2657	349	14	printfield11	printfield11	NOUN
eurjchem-2657	349	15	:	:	PUNCT
eurjchem-2657	349	16	printfield12	printfield12	PROPN
eurjchem-2657	349	17	:	:	PUNCT
eurjchem-2657	349	18	printfield13	printfield13	VERB
eurjchem-2657	349	19	:	:	PUNCT
eurjchem-2657	349	20	printfield14	printfield14	NOUN
eurjchem-2657	349	21	:	:	PUNCT
eurjchem-2657	349	22	printfield15	printfield15	NOUN
eurjchem-2657	349	23	:	:	PUNCT
eurjchem-2657	349	24	printfield16	printfield16	ADJ
eurjchem-2657	349	25	:	:	PUNCT
eurjchem-2657	349	26	printfield17	printfield17	NOUN
eurjchem-2657	349	27	:	:	PUNCT
eurjchem-2657	349	28	printfield20	printfield20	PROPN
eurjchem-2657	349	29	:	:	PUNCT
eurjchem-2657	350	1	printfield21	printfield21	ADJ
eurjchem-2657	350	2	:	:	PUNCT
eurjchem-2657	350	3	printfield22	printfield22	NOUN
eurjchem-2657	350	4	:	:	PUNCT
eurjchem-2657	350	5	printfield23	printfield23	NOUN
eurjchem-2657	350	6	:	:	PUNCT
eurjchem-2657	350	7	printfield24	printfield24	NOUN
eurjchem-2657	350	8	:	:	PUNCT
eurjchem-2657	350	9	printfield25	printfield25	NOUN
eurjchem-2657	350	10	:	:	PUNCT
eurjchem-2657	350	11	printfield26	printfield26	ADJ
eurjchem-2657	350	12	:	:	PUNCT
eurjchem-2657	350	13	printfield27	printfield27	NOUN
eurjchem-2657	350	14	:	:	PUNCT