id	sid	tid	token	lemma	pos
eurjchem-2673	1	1	synthesis	synthesis	NOUN
eurjchem-2673	1	2	,	,	PUNCT
eurjchem-2673	1	3	analysis	analysis	NOUN
eurjchem-2673	1	4	of	of	ADP
eurjchem-2673	1	5	single	single	ADJ
eurjchem-2673	1	6	crystal	crystal	NOUN
eurjchem-2673	1	7	structure	structure	NOUN
eurjchem-2673	1	8	and	and	CCONJ
eurjchem-2673	1	9	computational	computational	ADJ
eurjchem-2673	1	10	studies	study	NOUN
eurjchem-2673	1	11	on	on	ADP
eurjchem-2673	1	12	a	a	DET
eurjchem-2673	1	13	novel	novel	ADJ
eurjchem-2673	1	14	picrate	picrate	ADJ
eurjchem-2673	1	15	derivative	derivative	NOUN
eurjchem-2673	1	16	:	:	PUNCT
eurjchem-2673	1	17	2-(pyridine-2	2-(pyridine-2	NUM
eurjchem-2673	1	18	-	-	PUNCT
eurjchem-2673	1	19	ylthio)pyridine-1	ylthio)pyridine-1	NOUN
eurjchem-2673	1	20	-	-	PUNCT
eurjchem-2673	1	21	ium	ium	NOUN
eurjchem-2673	1	22	picrate	picrate	ADJ
eurjchem-2673	1	23	european	european	PROPN
eurjchem-2673	1	24	journal	journal	PROPN
eurjchem-2673	1	25	of	of	ADP
eurjchem-2673	1	26	chemistry	chemistry	NOUN
eurjchem-2673	1	27	16	16	NUM
eurjchem-2673	1	28	(	(	PUNCT
eurjchem-2673	1	29	2	2	NUM
eurjchem-2673	1	30	)	)	PUNCT
eurjchem-2673	1	31	(	(	PUNCT
eurjchem-2673	1	32	2025	2025	NUM
eurjchem-2673	1	33	)	)	PUNCT
eurjchem-2673	1	34	117	117	NUM
eurjchem-2673	1	35	-	-	SYM
eurjchem-2673	1	36	128	128	NUM
eurjchem-2673	1	37	european	european	ADJ
eurjchem-2673	1	38	journal	journal	PROPN
eurjchem-2673	1	39	of	of	ADP
eurjchem-2673	1	40	chemistry	chemistry	NOUN
eurjchem-2673	1	41	issn	issn	VERB
eurjchem-2673	1	42	2153	2153	NUM
eurjchem-2673	1	43	-	-	SYM
eurjchem-2673	1	44	2249	2249	NUM
eurjchem-2673	1	45	(	(	PUNCT
eurjchem-2673	1	46	print	print	NOUN
eurjchem-2673	1	47	)	)	PUNCT
eurjchem-2673	1	48	/	/	PUNCT
eurjchem-2673	1	49	issn	issn	PROPN
eurjchem-2673	1	50	2153	2153	NUM
eurjchem-2673	1	51	-	-	SYM
eurjchem-2673	1	52	2257	2257	NUM
eurjchem-2673	1	53	(	(	PUNCT
eurjchem-2673	1	54	online	online	ADJ
eurjchem-2673	1	55	)	)	PUNCT
eurjchem-2673	1	56	–	–	PUNCT
eurjchem-2673	2	1	copyright	copyright	NOUN
eurjchem-2673	2	2	©	©	PROPN
eurjchem-2673	2	3	2025	2025	NUM
eurjchem-2673	2	4	the	the	DET
eurjchem-2673	2	5	authors	author	NOUN
eurjchem-2673	2	6	–	–	PUNCT
eurjchem-2673	2	7	atlanta	atlanta	PROPN
eurjchem-2673	2	8	publishing	publishing	PROPN
eurjchem-2673	2	9	house	house	PROPN
eurjchem-2673	2	10	llc	llc	PROPN
eurjchem-2673	2	11	–	–	PUNCT
eurjchem-2673	2	12	printed	print	VERB
eurjchem-2673	2	13	in	in	ADP
eurjchem-2673	2	14	the	the	DET
eurjchem-2673	2	15	usa	usa	PROPN
eurjchem-2673	2	16	.	.	PUNCT
eurjchem-2673	3	1	this	this	DET
eurjchem-2673	3	2	work	work	NOUN
eurjchem-2673	3	3	is	be	AUX
eurjchem-2673	3	4	published	publish	VERB
eurjchem-2673	3	5	and	and	CCONJ
eurjchem-2673	3	6	licensed	license	VERB
eurjchem-2673	3	7	by	by	ADP
eurjchem-2673	3	8	atlanta	atlanta	PROPN
eurjchem-2673	3	9	publishing	publishing	PROPN
eurjchem-2673	3	10	house	house	PROPN
eurjchem-2673	3	11	llc	llc	PROPN
eurjchem-2673	3	12	–	–	PUNCT
eurjchem-2673	3	13	cc	cc	PROPN
eurjchem-2673	3	14	by	by	ADP
eurjchem-2673	3	15	nc	nc	PROPN
eurjchem-2673	3	16	–	–	PUNCT
eurjchem-2673	3	17	some	some	DET
eurjchem-2673	3	18	rights	right	NOUN
eurjchem-2673	3	19	reserved	reserve	VERB
eurjchem-2673	3	20	.	.	PUNCT
eurjchem-2673	4	1	https://dx.doi.org/10.5155/eurjchem.16.2.117-128.2673	https://dx.doi.org/10.5155/eurjchem.16.2.117-128.2673	PROPN
eurjchem-2673	4	2	european	european	PROPN
eurjchem-2673	4	3	journal	journal	PROPN
eurjchem-2673	4	4	of	of	ADP
eurjchem-2673	4	5	chemistry	chemistry	NOUN
eurjchem-2673	4	6	view	view	NOUN
eurjchem-2673	4	7	journal	journal	PROPN
eurjchem-2673	4	8	online	online	PROPN
eurjchem-2673	4	9	view	view	NOUN
eurjchem-2673	4	10	article	article	NOUN
eurjchem-2673	4	11	online	online	ADJ
eurjchem-2673	4	12	synthesis	synthesis	NOUN
eurjchem-2673	4	13	,	,	PUNCT
eurjchem-2673	4	14	analysis	analysis	NOUN
eurjchem-2673	4	15	of	of	ADP
eurjchem-2673	4	16	single	single	ADJ
eurjchem-2673	4	17	crystal	crystal	NOUN
eurjchem-2673	4	18	structure	structure	NOUN
eurjchem-2673	4	19	and	and	CCONJ
eurjchem-2673	4	20	computational	computational	ADJ
eurjchem-2673	4	21	studies	study	NOUN
eurjchem-2673	4	22	on	on	ADP
eurjchem-2673	4	23	a	a	DET
eurjchem-2673	4	24	novel	novel	ADJ
eurjchem-2673	4	25	picrate	picrate	ADJ
eurjchem-2673	4	26	derivative	derivative	NOUN
eurjchem-2673	4	27	:	:	PUNCT
eurjchem-2673	4	28	2-(pyridine-2	2-(pyridine-2	NUM
eurjchem-2673	4	29	-	-	PUNCT
eurjchem-2673	4	30	ylthio)pyridine-1	ylthio)pyridine-1	NOUN
eurjchem-2673	4	31	-	-	PUNCT
eurjchem-2673	4	32	ium	ium	NOUN
eurjchem-2673	4	33	picrate	picrate	PROPN
eurjchem-2673	4	34	fatma	fatma	PROPN
eurjchem-2673	4	35	aydin	aydin	PROPN
eurjchem-2673	4	36	1	1	NUM
eurjchem-2673	4	37	,	,	PUNCT
eurjchem-2673	4	38	*	*	PUNCT
eurjchem-2673	4	39	and	and	CCONJ
eurjchem-2673	4	40	asli	asli	PROPN
eurjchem-2673	4	41	ozturk	ozturk	PROPN
eurjchem-2673	4	42	kiraz	kiraz	PROPN
eurjchem-2673	4	43	2	2	NUM
eurjchem-2673	4	44	1	1	NUM
eurjchem-2673	4	45	department	department	NOUN
eurjchem-2673	4	46	of	of	ADP
eurjchem-2673	4	47	chemistry	chemistry	NOUN
eurjchem-2673	4	48	,	,	PUNCT
eurjchem-2673	4	49	faculty	faculty	NOUN
eurjchem-2673	4	50	of	of	ADP
eurjchem-2673	4	51	science	science	NOUN
eurjchem-2673	4	52	,	,	PUNCT
eurjchem-2673	4	53	çanakkale	çanakkale	NOUN
eurjchem-2673	4	54	onsekiz	onsekiz	PROPN
eurjchem-2673	4	55	mart	mart	PROPN
eurjchem-2673	4	56	university	university	PROPN
eurjchem-2673	4	57	,	,	PUNCT
eurjchem-2673	4	58	17100	17100	NUM
eurjchem-2673	4	59	,	,	PUNCT
eurjchem-2673	4	60	çanakkale	çanakkale	NOUN
eurjchem-2673	4	61	,	,	PUNCT
eurjchem-2673	4	62	turkey	turkey	PROPN
eurjchem-2673	4	63	2	2	NUM
eurjchem-2673	4	64	department	department	NOUN
eurjchem-2673	4	65	of	of	ADP
eurjchem-2673	4	66	physics	physics	PROPN
eurjchem-2673	4	67	,	,	PUNCT
eurjchem-2673	4	68	computational	computational	ADJ
eurjchem-2673	4	69	physics	physics	NOUN
eurjchem-2673	4	70	laboratory	laboratory	NOUN
eurjchem-2673	4	71	,	,	PUNCT
eurjchem-2673	4	72	faculty	faculty	NOUN
eurjchem-2673	4	73	of	of	ADP
eurjchem-2673	4	74	science	science	NOUN
eurjchem-2673	4	75	,	,	PUNCT
eurjchem-2673	4	76	pamukkale	pamukkale	PROPN
eurjchem-2673	4	77	university	university	NOUN
eurjchem-2673	4	78	,	,	PUNCT
eurjchem-2673	4	79	20070	20070	NUM
eurjchem-2673	4	80	,	,	PUNCT
eurjchem-2673	4	81	denizli	denizli	NOUN
eurjchem-2673	4	82	,	,	PUNCT
eurjchem-2673	4	83	turkey	turkey	NOUN
eurjchem-2673	4	84	*	*	PUNCT
eurjchem-2673	4	85	corresponding	correspond	VERB
eurjchem-2673	4	86	author	author	NOUN
eurjchem-2673	4	87	at	at	ADP
eurjchem-2673	4	88	:	:	PUNCT
eurjchem-2673	4	89	department	department	NOUN
eurjchem-2673	4	90	of	of	ADP
eurjchem-2673	4	91	chemistry	chemistry	NOUN
eurjchem-2673	4	92	,	,	PUNCT
eurjchem-2673	4	93	faculty	faculty	NOUN
eurjchem-2673	4	94	of	of	ADP
eurjchem-2673	4	95	science	science	NOUN
eurjchem-2673	4	96	,	,	PUNCT
eurjchem-2673	4	97	çanakkale	çanakkale	NOUN
eurjchem-2673	4	98	onsekiz	onsekiz	PROPN
eurjchem-2673	4	99	mart	mart	PROPN
eurjchem-2673	4	100	university	university	PROPN
eurjchem-2673	4	101	,	,	PUNCT
eurjchem-2673	4	102	17100	17100	NUM
eurjchem-2673	4	103	,	,	PUNCT
eurjchem-2673	4	104	çanakkale	çanakkale	NOUN
eurjchem-2673	4	105	,	,	PUNCT
eurjchem-2673	4	106	turkey	turkey	NOUN
eurjchem-2673	4	107	.	.	PUNCT
eurjchem-2673	5	1	e	e	X
eurjchem-2673	5	2	-	-	NOUN
eurjchem-2673	5	3	mail	mail	NOUN
eurjchem-2673	5	4	:	:	PUNCT
eurjchem-2673	5	5	faydin@comu.edu.tr	faydin@comu.edu.tr	PROPN
eurjchem-2673	5	6	(	(	PUNCT
eurjchem-2673	5	7	f.	f.	PROPN
eurjchem-2673	5	8	aydin	aydin	PROPN
eurjchem-2673	5	9	)	)	PUNCT
eurjchem-2673	5	10	.	.	PUNCT
eurjchem-2673	6	1	10.5155	10.5155	NUM
eurjchem-2673	6	2	/	/	SYM
eurjchem-2673	6	3	eurjchem.16.2.117	eurjchem.16.2.117	VERB
eurjchem-2673	6	4	-	-	SYM
eurjchem-2673	6	5	128.2673	128.2673	NUM
eurjchem-2673	6	6	received	receive	VERB
eurjchem-2673	6	7	:	:	PUNCT
eurjchem-2673	6	8	12	12	NUM
eurjchem-2673	6	9	february	february	NOUN
eurjchem-2673	6	10	2025	2025	NUM
eurjchem-2673	6	11	received	receive	VERB
eurjchem-2673	6	12	in	in	ADP
eurjchem-2673	6	13	revised	revise	VERB
eurjchem-2673	6	14	form	form	NOUN
eurjchem-2673	6	15	:	:	PUNCT
eurjchem-2673	6	16	18	18	NUM
eurjchem-2673	6	17	april	april	PROPN
eurjchem-2673	6	18	2025	2025	NUM
eurjchem-2673	6	19	accepted	accept	VERB
eurjchem-2673	6	20	:	:	PUNCT
eurjchem-2673	6	21	1	1	NUM
eurjchem-2673	6	22	may	may	AUX
eurjchem-2673	6	23	2025	2025	NUM
eurjchem-2673	6	24	published	publish	VERB
eurjchem-2673	6	25	online	online	ADV
eurjchem-2673	6	26	:	:	PUNCT
eurjchem-2673	6	27	30	30	NUM
eurjchem-2673	6	28	june	june	PROPN
eurjchem-2673	6	29	2025	2025	NUM
eurjchem-2673	6	30	printed	print	VERB
eurjchem-2673	6	31	:	:	PUNCT
eurjchem-2673	6	32	30	30	NUM
eurjchem-2673	6	33	june	june	PROPN
eurjchem-2673	6	34	2025	2025	NUM
eurjchem-2673	6	35	a	a	DET
eurjchem-2673	6	36	new	new	ADJ
eurjchem-2673	6	37	organic	organic	ADJ
eurjchem-2673	6	38	salt	salt	NOUN
eurjchem-2673	6	39	,	,	PUNCT
eurjchem-2673	6	40	2-(pyridine-2	2-(pyridine-2	NUM
eurjchem-2673	6	41	-	-	PUNCT
eurjchem-2673	6	42	ylthio)pyridine-1	ylthio)pyridine-1	NOUN
eurjchem-2673	6	43	-	-	PUNCT
eurjchem-2673	6	44	ium	ium	NOUN
eurjchem-2673	6	45	picrate	picrate	NOUN
eurjchem-2673	6	46	(	(	PUNCT
eurjchem-2673	6	47	c16h11n5o7s	c16h11n5o7s	NUM
eurjchem-2673	6	48	:	:	PUNCT
eurjchem-2673	6	49	2	2	NUM
eurjchem-2673	6	50	-	-	PUNCT
eurjchem-2673	6	51	pyrtppc	pyrtppc	NOUN
eurjchem-2673	6	52	)	)	PUNCT
eurjchem-2673	6	53	,	,	PUNCT
eurjchem-2673	6	54	has	have	AUX
eurjchem-2673	6	55	been	be	AUX
eurjchem-2673	6	56	synthesized	synthesize	VERB
eurjchem-2673	6	57	and	and	CCONJ
eurjchem-2673	6	58	characterized	characterize	VERB
eurjchem-2673	6	59	using	use	VERB
eurjchem-2673	6	60	various	various	ADJ
eurjchem-2673	6	61	spectroscopic	spectroscopic	ADJ
eurjchem-2673	6	62	methods	method	NOUN
eurjchem-2673	6	63	such	such	ADJ
eurjchem-2673	6	64	as	as	ADP
eurjchem-2673	6	65	1h	1h	NUM
eurjchem-2673	6	66	nmr	nmr	NOUN
eurjchem-2673	6	67	,	,	PUNCT
eurjchem-2673	6	68	13c	13c	NOUN
eurjchem-2673	6	69	nmr	nmr	NOUN
eurjchem-2673	6	70	,	,	PUNCT
eurjchem-2673	6	71	and	and	CCONJ
eurjchem-2673	6	72	ft	ft	PROPN
eurjchem-2673	6	73	-	-	PUNCT
eurjchem-2673	6	74	ir	ir	NOUN
eurjchem-2673	6	75	.	.	PUNCT
eurjchem-2673	7	1	the	the	DET
eurjchem-2673	7	2	crystal	crystal	NOUN
eurjchem-2673	7	3	structure	structure	NOUN
eurjchem-2673	7	4	of	of	ADP
eurjchem-2673	7	5	the	the	DET
eurjchem-2673	7	6	title	title	NOUN
eurjchem-2673	7	7	compound	compound	NOUN
eurjchem-2673	7	8	was	be	AUX
eurjchem-2673	7	9	analyzed	analyze	VERB
eurjchem-2673	7	10	using	use	VERB
eurjchem-2673	7	11	xray	xray	ADJ
eurjchem-2673	7	12	structure	structure	NOUN
eurjchem-2673	7	13	analysis	analysis	NOUN
eurjchem-2673	7	14	,	,	PUNCT
eurjchem-2673	7	15	which	which	PRON
eurjchem-2673	7	16	revealed	reveal	VERB
eurjchem-2673	7	17	that	that	SCONJ
eurjchem-2673	7	18	it	it	PRON
eurjchem-2673	7	19	belongs	belong	VERB
eurjchem-2673	7	20	to	to	ADP
eurjchem-2673	7	21	the	the	DET
eurjchem-2673	7	22	monoclinic	monoclinic	ADJ
eurjchem-2673	7	23	p21	p21	NOUN
eurjchem-2673	7	24	/	/	SYM
eurjchem-2673	7	25	c	c	NOUN
eurjchem-2673	7	26	space	space	NOUN
eurjchem-2673	7	27	group	group	NOUN
eurjchem-2673	7	28	with	with	ADP
eurjchem-2673	7	29	a	a	DET
eurjchem-2673	7	30	=	=	SYM
eurjchem-2673	7	31	16.876(4	16.876(4	NOUN
eurjchem-2673	7	32	)	)	PUNCT
eurjchem-2673	8	1	å	å	PROPN
eurjchem-2673	8	2	,	,	PUNCT
eurjchem-2673	8	3	b	b	X
eurjchem-2673	8	4	=	=	SYM
eurjchem-2673	8	5	7.6675(18	7.6675(18	NUM
eurjchem-2673	8	6	)	)	PUNCT
eurjchem-2673	8	7	å	å	NOUN
eurjchem-2673	8	8	,	,	PUNCT
eurjchem-2673	8	9	c	c	NOUN
eurjchem-2673	8	10	=	=	SYM
eurjchem-2673	8	11	13.846(3	13.846(3	NUM
eurjchem-2673	8	12	)	)	PUNCT
eurjchem-2673	9	1	å	å	PROPN
eurjchem-2673	9	2	,	,	PUNCT
eurjchem-2673	9	3	z	z	NOUN
eurjchem-2673	9	4	=	=	SYM
eurjchem-2673	9	5	4	4	NUM
eurjchem-2673	9	6	,	,	PUNCT
eurjchem-2673	9	7	and	and	CCONJ
eurjchem-2673	9	8	v	v	NOUN
eurjchem-2673	9	9	=	=	SYM
eurjchem-2673	9	10	1766.9(7	1766.9(7	NUM
eurjchem-2673	9	11	)	)	PUNCT
eurjchem-2673	9	12	å3	å3	PROPN
eurjchem-2673	9	13	.	.	PUNCT
eurjchem-2673	10	1	the	the	DET
eurjchem-2673	10	2	molecular	molecular	ADJ
eurjchem-2673	10	3	packing	packing	NOUN
eurjchem-2673	10	4	of	of	ADP
eurjchem-2673	10	5	the	the	DET
eurjchem-2673	10	6	compound	compound	NOUN
eurjchem-2673	10	7	showed	show	VERB
eurjchem-2673	10	8	the	the	DET
eurjchem-2673	10	9	presence	presence	NOUN
eurjchem-2673	10	10	of	of	ADP
eurjchem-2673	10	11	several	several	ADJ
eurjchem-2673	10	12	intermolecular	intermolecular	ADJ
eurjchem-2673	10	13	hydrogen	hydrogen	NOUN
eurjchem-2673	10	14	bonds	bond	NOUN
eurjchem-2673	10	15	between	between	ADP
eurjchem-2673	10	16	different	different	ADJ
eurjchem-2673	10	17	atoms	atom	NOUN
eurjchem-2673	10	18	.	.	PUNCT
eurjchem-2673	11	1	the	the	DET
eurjchem-2673	11	2	electronic	electronic	ADJ
eurjchem-2673	11	3	properties	property	NOUN
eurjchem-2673	11	4	of	of	ADP
eurjchem-2673	11	5	the	the	DET
eurjchem-2673	11	6	crystal	crystal	NOUN
eurjchem-2673	11	7	were	be	AUX
eurjchem-2673	11	8	investigated	investigate	VERB
eurjchem-2673	11	9	using	use	VERB
eurjchem-2673	11	10	density	density	NOUN
eurjchem-2673	11	11	functional	functional	ADJ
eurjchem-2673	11	12	theory	theory	NOUN
eurjchem-2673	11	13	(	(	PUNCT
eurjchem-2673	11	14	dft	dft	PROPN
eurjchem-2673	11	15	)	)	PUNCT
eurjchem-2673	11	16	with	with	ADP
eurjchem-2673	11	17	b3lyp/6	b3lyp/6	PROPN
eurjchem-2673	11	18	-	-	NOUN
eurjchem-2673	11	19	311g(d	311g(d	NUM
eurjchem-2673	11	20	,	,	PUNCT
eurjchem-2673	11	21	p	p	NOUN
eurjchem-2673	11	22	)	)	PUNCT
eurjchem-2673	11	23	level	level	NOUN
eurjchem-2673	11	24	.	.	PUNCT
eurjchem-2673	12	1	frontier	frontier	NOUN
eurjchem-2673	12	2	molecular	molecular	ADJ
eurjchem-2673	12	3	orbitals	orbital	NOUN
eurjchem-2673	12	4	were	be	AUX
eurjchem-2673	12	5	drawn	draw	VERB
eurjchem-2673	12	6	and	and	CCONJ
eurjchem-2673	12	7	related	relate	VERB
eurjchem-2673	12	8	global	global	ADJ
eurjchem-2673	12	9	quantities	quantity	NOUN
eurjchem-2673	12	10	such	such	ADJ
eurjchem-2673	12	11	as	as	ADP
eurjchem-2673	12	12	electronic	electronic	ADJ
eurjchem-2673	12	13	chemical	chemical	NOUN
eurjchem-2673	12	14	potential	potential	NOUN
eurjchem-2673	12	15	,	,	PUNCT
eurjchem-2673	12	16	chemical	chemical	ADJ
eurjchem-2673	12	17	hardness	hardness	NOUN
eurjchem-2673	12	18	-	-	PUNCT
eurjchem-2673	12	19	softness	softness	NOUN
eurjchem-2673	12	20	,	,	PUNCT
eurjchem-2673	12	21	electrophilicity	electrophilicity	NOUN
eurjchem-2673	12	22	,	,	PUNCT
eurjchem-2673	12	23	homo	homo	NOUN
eurjchem-2673	12	24	and	and	CCONJ
eurjchem-2673	12	25	lumo	lumo	NOUN
eurjchem-2673	12	26	energy	energy	NOUN
eurjchem-2673	12	27	eigenvalues	eigenvalue	NOUN
eurjchem-2673	12	28	,	,	PUNCT
eurjchem-2673	12	29	and	and	CCONJ
eurjchem-2673	12	30	the	the	DET
eurjchem-2673	12	31	difference	difference	NOUN
eurjchem-2673	12	32	between	between	ADP
eurjchem-2673	12	33	homo	homo	NOUN
eurjchem-2673	12	34	and	and	CCONJ
eurjchem-2673	12	35	lumo	lumo	NOUN
eurjchem-2673	12	36	(	(	PUNCT
eurjchem-2673	12	37	∆e	∆e	PROPN
eurjchem-2673	12	38	)	)	PUNCT
eurjchem-2673	12	39	were	be	AUX
eurjchem-2673	12	40	calculated	calculate	VERB
eurjchem-2673	12	41	and	and	CCONJ
eurjchem-2673	12	42	discussed	discuss	VERB
eurjchem-2673	12	43	.	.	PUNCT
eurjchem-2673	13	1	tg	tg	PROPN
eurjchem-2673	13	2	/	/	SYM
eurjchem-2673	13	3	dtg	dtg	PROPN
eurjchem-2673	13	4	analysis	analysis	NOUN
eurjchem-2673	13	5	revealed	reveal	VERB
eurjchem-2673	13	6	the	the	DET
eurjchem-2673	13	7	thermal	thermal	ADJ
eurjchem-2673	13	8	stability	stability	NOUN
eurjchem-2673	13	9	of	of	ADP
eurjchem-2673	13	10	the	the	DET
eurjchem-2673	13	11	2	2	NUM
eurjchem-2673	13	12	-	-	PUNCT
eurjchem-2673	13	13	pyrtppc	pyrtppc	NOUN
eurjchem-2673	13	14	crystal	crystal	NOUN
eurjchem-2673	13	15	.	.	PUNCT
eurjchem-2673	14	1	the	the	DET
eurjchem-2673	14	2	single	single	ADJ
eurjchem-2673	14	3	stage	stage	NOUN
eurjchem-2673	14	4	of	of	ADP
eurjchem-2673	14	5	decomposition	decomposition	NOUN
eurjchem-2673	14	6	and	and	CCONJ
eurjchem-2673	14	7	the	the	DET
eurjchem-2673	14	8	sharpness	sharpness	NOUN
eurjchem-2673	14	9	of	of	ADP
eurjchem-2673	14	10	the	the	DET
eurjchem-2673	14	11	peak	peak	NOUN
eurjchem-2673	14	12	in	in	ADP
eurjchem-2673	14	13	the	the	DET
eurjchem-2673	14	14	temperature	temperature	NOUN
eurjchem-2673	14	15	range	range	NOUN
eurjchem-2673	14	16	of	of	ADP
eurjchem-2673	14	17	157	157	NUM
eurjchem-2673	14	18	-	-	SYM
eurjchem-2673	14	19	224	224	NUM
eurjchem-2673	14	20	°	°	NUM
eurjchem-2673	14	21	c	c	NOUN
eurjchem-2673	14	22	illustrated	illustrate	VERB
eurjchem-2673	14	23	the	the	DET
eurjchem-2673	14	24	purity	purity	NOUN
eurjchem-2673	14	25	and	and	CCONJ
eurjchem-2673	14	26	good	good	ADJ
eurjchem-2673	14	27	crystallinity	crystallinity	NOUN
eurjchem-2673	14	28	of	of	ADP
eurjchem-2673	14	29	the	the	DET
eurjchem-2673	14	30	grown	grown	ADJ
eurjchem-2673	14	31	crystal	crystal	NOUN
eurjchem-2673	14	32	.	.	PUNCT
eurjchem-2673	15	1	the	the	DET
eurjchem-2673	15	2	different	different	ADJ
eurjchem-2673	15	3	vibration	vibration	NOUN
eurjchem-2673	15	4	modes	mode	NOUN
eurjchem-2673	15	5	of	of	ADP
eurjchem-2673	15	6	the	the	DET
eurjchem-2673	15	7	2	2	NUM
eurjchem-2673	15	8	-	-	PUNCT
eurjchem-2673	15	9	pyrtppc	pyrtppc	NOUN
eurjchem-2673	15	10	molecule	molecule	NOUN
eurjchem-2673	15	11	were	be	AUX
eurjchem-2673	15	12	determined	determine	VERB
eurjchem-2673	15	13	by	by	ADP
eurjchem-2673	15	14	analyzing	analyze	VERB
eurjchem-2673	15	15	the	the	DET
eurjchem-2673	15	16	ft	ft	NOUN
eurjchem-2673	15	17	-	-	PUNCT
eurjchem-2673	15	18	ir	ir	PROPN
eurjchem-2673	15	19	and	and	CCONJ
eurjchem-2673	15	20	ftraman	ftraman	PROPN
eurjchem-2673	15	21	spectra	spectra	PROPN
eurjchem-2673	15	22	.	.	PUNCT
eurjchem-2673	16	1	the	the	DET
eurjchem-2673	16	2	detection	detection	NOUN
eurjchem-2673	16	3	of	of	ADP
eurjchem-2673	16	4	vibrations	vibration	NOUN
eurjchem-2673	16	5	of	of	ADP
eurjchem-2673	16	6	the	the	DET
eurjchem-2673	16	7	pyrnh+	pyrnh+	X
eurjchem-2673	16	8	and	and	CCONJ
eurjchem-2673	16	9	aromatic	aromatic	ADJ
eurjchem-2673	16	10	thioether	thioether	ADJ
eurjchem-2673	16	11	moiety	moiety	NOUN
eurjchem-2673	16	12	supports	support	VERB
eurjchem-2673	16	13	the	the	DET
eurjchem-2673	16	14	confirmation	confirmation	NOUN
eurjchem-2673	16	15	of	of	ADP
eurjchem-2673	16	16	the	the	DET
eurjchem-2673	16	17	di(pyridin-2	di(pyridin-2	NOUN
eurjchem-2673	16	18	-	-	PUNCT
eurjchem-2673	16	19	yl)sulfane	yl)sulfane	NOUN
eurjchem-2673	16	20	structure	structure	NOUN
eurjchem-2673	16	21	through	through	ADP
eurjchem-2673	16	22	the	the	DET
eurjchem-2673	16	23	intermediate	intermediate	ADJ
eurjchem-2673	16	24	formed	form	VERB
eurjchem-2673	16	25	by	by	ADP
eurjchem-2673	16	26	the	the	DET
eurjchem-2673	16	27	transfer	transfer	NOUN
eurjchem-2673	16	28	of	of	ADP
eurjchem-2673	16	29	the	the	DET
eurjchem-2673	16	30	proton	proton	NOUN
eurjchem-2673	16	31	from	from	ADP
eurjchem-2673	16	32	picric	picric	ADJ
eurjchem-2673	16	33	acid	acid	NOUN
eurjchem-2673	16	34	to	to	ADP
eurjchem-2673	16	35	2	2	NUM
eurjchem-2673	16	36	-	-	PUNCT
eurjchem-2673	16	37	mercaptopyridine	mercaptopyridine	NOUN
eurjchem-2673	16	38	.	.	PUNCT
eurjchem-2673	17	1	thermal	thermal	ADJ
eurjchem-2673	17	2	properties	property	NOUN
eurjchem-2673	17	3	2	2	NUM
eurjchem-2673	17	4	-	-	PUNCT
eurjchem-2673	17	5	mercaptopyridine	mercaptopyridine	NOUN
eurjchem-2673	17	6	density	density	NOUN
eurjchem-2673	17	7	functional	functional	ADJ
eurjchem-2673	17	8	theory	theory	NOUN
eurjchem-2673	17	9	x	x	NOUN
eurjchem-2673	17	10	-	-	NOUN
eurjchem-2673	17	11	ray	ray	NOUN
eurjchem-2673	17	12	structure	structure	NOUN
eurjchem-2673	17	13	determination	determination	NOUN
eurjchem-2673	17	14	molecular	molecular	ADJ
eurjchem-2673	17	15	electrostatic	electrostatic	ADJ
eurjchem-2673	17	16	potentials	potential	NOUN
eurjchem-2673	17	17	2-(pyridine-2	2-(pyridine-2	NUM
eurjchem-2673	17	18	-	-	PUNCT
eurjchem-2673	17	19	ylthio)pyridine-1	ylthio)pyridine-1	NOUN
eurjchem-2673	17	20	-	-	PUNCT
eurjchem-2673	17	21	ium	ium	NOUN
eurjchem-2673	17	22	picrate	picrate	NOUN
eurjchem-2673	17	23	cite	cite	VERB
eurjchem-2673	17	24	this	this	PRON
eurjchem-2673	17	25	:	:	PUNCT
eurjchem-2673	17	26	eur	eur	PROPN
eurjchem-2673	17	27	.	.	PUNCT
eurjchem-2673	18	1	j.	j.	PROPN
eurjchem-2673	18	2	chem	chem	PROPN
eurjchem-2673	18	3	.	.	PUNCT
eurjchem-2673	19	1	2025	2025	NUM
eurjchem-2673	19	2	,	,	PUNCT
eurjchem-2673	19	3	16(2	16(2	NUM
eurjchem-2673	19	4	)	)	PUNCT
eurjchem-2673	19	5	,	,	PUNCT
eurjchem-2673	19	6	117	117	NUM
eurjchem-2673	19	7	-	-	SYM
eurjchem-2673	19	8	128	128	NUM
eurjchem-2673	19	9	journal	journal	NOUN
eurjchem-2673	19	10	website	website	NOUN
eurjchem-2673	19	11	:	:	PUNCT
eurjchem-2673	19	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2673	19	13	1	1	X
eurjchem-2673	19	14	.	.	PUNCT
eurjchem-2673	19	15	introduction	introduction	NOUN
eurjchem-2673	19	16	2	2	NUM
eurjchem-2673	19	17	-	-	PUNCT
eurjchem-2673	19	18	mercaptopyridine	mercaptopyridine	NOUN
eurjchem-2673	19	19	is	be	AUX
eurjchem-2673	19	20	an	an	DET
eurjchem-2673	19	21	organic	organic	ADJ
eurjchem-2673	19	22	sulfur	sulfur	NOUN
eurjchem-2673	19	23	compound	compound	NOUN
eurjchem-2673	19	24	that	that	PRON
eurjchem-2673	19	25	contains	contain	VERB
eurjchem-2673	19	26	a	a	DET
eurjchem-2673	19	27	mercapto(-sh	mercapto(-sh	NOUN
eurjchem-2673	19	28	)	)	PUNCT
eurjchem-2673	19	29	group	group	NOUN
eurjchem-2673	19	30	in	in	ADP
eurjchem-2673	19	31	the	the	DET
eurjchem-2673	19	32	ortho	ortho	PROPN
eurjchem-2673	19	33	position	position	NOUN
eurjchem-2673	19	34	of	of	ADP
eurjchem-2673	19	35	a	a	DET
eurjchem-2673	19	36	pyridine	pyridine	ADJ
eurjchem-2673	19	37	ring	ring	NOUN
eurjchem-2673	19	38	.	.	PUNCT
eurjchem-2673	20	1	due	due	ADP
eurjchem-2673	20	2	to	to	ADP
eurjchem-2673	20	3	its	its	PRON
eurjchem-2673	20	4	tautomerization	tautomerization	NOUN
eurjchem-2673	20	5	reaction	reaction	NOUN
eurjchem-2673	20	6	,	,	PUNCT
eurjchem-2673	20	7	the	the	DET
eurjchem-2673	20	8	compound	compound	NOUN
eurjchem-2673	20	9	can	can	AUX
eurjchem-2673	20	10	exist	exist	VERB
eurjchem-2673	20	11	in	in	ADP
eurjchem-2673	20	12	two	two	NUM
eurjchem-2673	20	13	forms	form	NOUN
eurjchem-2673	20	14	:	:	PUNCT
eurjchem-2673	20	15	thione	thione	NOUN
eurjchem-2673	20	16	and	and	CCONJ
eurjchem-2673	20	17	thiol	thiol	ADJ
eurjchem-2673	20	18	isomers	isomer	NOUN
eurjchem-2673	20	19	[	[	X
eurjchem-2673	20	20	1,2	1,2	NUM
eurjchem-2673	20	21	]	]	PUNCT
eurjchem-2673	20	22	.	.	PUNCT
eurjchem-2673	21	1	2	2	X
eurjchem-2673	21	2	-	-	PUNCT
eurjchem-2673	21	3	mercaptopyridine	mercaptopyridine	NOUN
eurjchem-2673	21	4	is	be	AUX
eurjchem-2673	21	5	a	a	DET
eurjchem-2673	21	6	lewis	lewis	PROPN
eurjchem-2673	21	7	base	base	NOUN
eurjchem-2673	21	8	due	due	ADP
eurjchem-2673	21	9	to	to	ADP
eurjchem-2673	21	10	its	its	PRON
eurjchem-2673	21	11	base	base	NOUN
eurjchem-2673	21	12	centers	center	NOUN
eurjchem-2673	21	13	,	,	PUNCT
eurjchem-2673	21	14	such	such	ADJ
eurjchem-2673	21	15	as	as	ADP
eurjchem-2673	21	16	pyridine	pyridine	NOUN
eurjchem-2673	21	17	and	and	CCONJ
eurjchem-2673	21	18	thiophenol	thiophenol	NOUN
eurjchem-2673	21	19	.	.	PUNCT
eurjchem-2673	22	1	both	both	DET
eurjchem-2673	22	2	pyridine	pyridine	NOUN
eurjchem-2673	22	3	(	(	PUNCT
eurjchem-2673	22	4	pka	pka	NOUN
eurjchem-2673	22	5	=	=	NOUN
eurjchem-2673	22	6	5.2	5.2	NUM
eurjchem-2673	22	7	)	)	PUNCT
eurjchem-2673	22	8	and	and	CCONJ
eurjchem-2673	22	9	thiophenol	thiophenol	NOUN
eurjchem-2673	22	10	(	(	PUNCT
eurjchem-2673	22	11	pka	pka	PROPN
eurjchem-2673	22	12	=	=	NOUN
eurjchem-2673	22	13	6.0	6.0	NUM
eurjchem-2673	22	14	)	)	PUNCT
eurjchem-2673	22	15	have	have	VERB
eurjchem-2673	22	16	lewis	lewis	PROPN
eurjchem-2673	22	17	base	base	NOUN
eurjchem-2673	22	18	properties	property	NOUN
eurjchem-2673	22	19	,	,	PUNCT
eurjchem-2673	22	20	but	but	CCONJ
eurjchem-2673	22	21	the	the	DET
eurjchem-2673	22	22	thiophenol	thiophenol	NOUN
eurjchem-2673	22	23	unit	unit	NOUN
eurjchem-2673	22	24	is	be	AUX
eurjchem-2673	22	25	more	more	ADV
eurjchem-2673	22	26	basic	basic	ADJ
eurjchem-2673	22	27	.	.	PUNCT
eurjchem-2673	23	1	thiophenol	thiophenol	NOUN
eurjchem-2673	23	2	can	can	AUX
eurjchem-2673	23	3	be	be	AUX
eurjchem-2673	23	4	used	use	VERB
eurjchem-2673	23	5	as	as	ADP
eurjchem-2673	23	6	a	a	DET
eurjchem-2673	23	7	reagent	reagent	NOUN
eurjchem-2673	23	8	for	for	ADP
eurjchem-2673	23	9	unsymmetrical	unsymmetrical	ADJ
eurjchem-2673	23	10	disulfide	disulfide	NOUN
eurjchem-2673	23	11	derivatives	derivative	NOUN
eurjchem-2673	23	12	[	[	X
eurjchem-2673	23	13	3	3	NUM
eurjchem-2673	23	14	]	]	PUNCT
eurjchem-2673	23	15	,	,	PUNCT
eurjchem-2673	23	16	alkylating	alkylate	VERB
eurjchem-2673	23	17	agents	agent	NOUN
eurjchem-2673	23	18	[	[	X
eurjchem-2673	23	19	4	4	NUM
eurjchem-2673	23	20	]	]	PUNCT
eurjchem-2673	23	21	,	,	PUNCT
eurjchem-2673	23	22	and	and	CCONJ
eurjchem-2673	23	23	chelating	chelate	VERB
eurjchem-2673	23	24	ligands	ligand	NOUN
eurjchem-2673	23	25	[	[	X
eurjchem-2673	23	26	5	5	NUM
eurjchem-2673	23	27	]	]	PUNCT
eurjchem-2673	23	28	.	.	PUNCT
eurjchem-2673	24	1	it	it	PRON
eurjchem-2673	24	2	can	can	AUX
eurjchem-2673	24	3	also	also	ADV
eurjchem-2673	24	4	be	be	AUX
eurjchem-2673	24	5	used	use	VERB
eurjchem-2673	24	6	as	as	ADP
eurjchem-2673	24	7	a	a	DET
eurjchem-2673	24	8	selective	selective	ADJ
eurjchem-2673	24	9	glutathione	glutathione	NOUN
eurjchem-2673	24	10	(	(	PUNCT
eurjchem-2673	24	11	gsh	gsh	NOUN
eurjchem-2673	24	12	)	)	PUNCT
eurjchem-2673	24	13	detection	detection	NOUN
eurjchem-2673	24	14	reagent	reagent	NOUN
eurjchem-2673	24	15	[	[	X
eurjchem-2673	24	16	6	6	NUM
eurjchem-2673	24	17	]	]	PUNCT
eurjchem-2673	24	18	.	.	PUNCT
eurjchem-2673	25	1	with	with	ADP
eurjchem-2673	25	2	this	this	DET
eurjchem-2673	25	3	powerful	powerful	ADJ
eurjchem-2673	25	4	reducing	reduce	VERB
eurjchem-2673	25	5	agent	agent	NOUN
eurjchem-2673	25	6	,	,	PUNCT
eurjchem-2673	25	7	you	you	PRON
eurjchem-2673	25	8	can	can	AUX
eurjchem-2673	25	9	selectively	selectively	ADV
eurjchem-2673	25	10	oxidize	oxidize	VERB
eurjchem-2673	25	11	it	it	PRON
eurjchem-2673	25	12	to	to	ADP
eurjchem-2673	25	13	2,2'(dipyridyl)disulfide	2,2'(dipyridyl)disulfide	NUM
eurjchem-2673	25	14	[	[	PUNCT
eurjchem-2673	25	15	7	7	NUM
eurjchem-2673	25	16	]	]	PUNCT
eurjchem-2673	25	17	.	.	PUNCT
eurjchem-2673	26	1	picric	picric	PROPN
eurjchem-2673	26	2	acid	acid	PROPN
eurjchem-2673	26	3	is	be	AUX
eurjchem-2673	26	4	an	an	DET
eurjchem-2673	26	5	organic	organic	ADJ
eurjchem-2673	26	6	acid	acid	NOUN
eurjchem-2673	26	7	derived	derive	VERB
eurjchem-2673	26	8	from	from	ADP
eurjchem-2673	26	9	phenol	phenol	NOUN
eurjchem-2673	26	10	and	and	CCONJ
eurjchem-2673	26	11	contains	contain	VERB
eurjchem-2673	26	12	three	three	NUM
eurjchem-2673	26	13	nitro	nitro	NOUN
eurjchem-2673	26	14	groups	group	NOUN
eurjchem-2673	26	15	.	.	PUNCT
eurjchem-2673	27	1	due	due	ADP
eurjchem-2673	27	2	to	to	ADP
eurjchem-2673	27	3	its	its	PRON
eurjchem-2673	27	4	stabilization	stabilization	NOUN
eurjchem-2673	27	5	of	of	ADP
eurjchem-2673	27	6	the	the	DET
eurjchem-2673	27	7	phenolate	phenolate	ADJ
eurjchem-2673	27	8	anion	anion	NOUN
eurjchem-2673	27	9	through	through	ADP
eurjchem-2673	27	10	the	the	DET
eurjchem-2673	27	11	resonance	resonance	NOUN
eurjchem-2673	27	12	of	of	ADP
eurjchem-2673	27	13	nitro	nitro	NOUN
eurjchem-2673	27	14	groups	group	NOUN
eurjchem-2673	27	15	,	,	PUNCT
eurjchem-2673	27	16	picric	picric	ADJ
eurjchem-2673	27	17	acid	acid	NOUN
eurjchem-2673	27	18	has	have	AUX
eurjchem-2673	27	19	become	become	VERB
eurjchem-2673	27	20	one	one	NUM
eurjchem-2673	27	21	of	of	ADP
eurjchem-2673	27	22	the	the	DET
eurjchem-2673	27	23	strongest	strong	ADJ
eurjchem-2673	27	24	organic	organic	ADJ
eurjchem-2673	27	25	acids	acid	NOUN
eurjchem-2673	27	26	(	(	PUNCT
eurjchem-2673	27	27	pka	pka	NOUN
eurjchem-2673	27	28	=	=	NOUN
eurjchem-2673	27	29	0.42	0.42	NUM
eurjchem-2673	27	30	)	)	PUNCT
eurjchem-2673	27	31	.	.	PUNCT
eurjchem-2673	28	1	picric	picric	PROPN
eurjchem-2673	28	2	acid	acid	PROPN
eurjchem-2673	28	3	,	,	PUNCT
eurjchem-2673	28	4	which	which	PRON
eurjchem-2673	28	5	is	be	AUX
eurjchem-2673	28	6	an	an	DET
eurjchem-2673	28	7	electron	electron	NOUN
eurjchem-2673	28	8	acceptor	acceptor	NOUN
eurjchem-2673	28	9	,	,	PUNCT
eurjchem-2673	28	10	can	can	AUX
eurjchem-2673	28	11	form	form	VERB
eurjchem-2673	28	12	charge	charge	NOUN
eurjchem-2673	28	13	transfer	transfer	NOUN
eurjchem-2673	28	14	complexes	complex	NOUN
eurjchem-2673	28	15	or	or	CCONJ
eurjchem-2673	28	16	ammonium	ammonium	NOUN
eurjchem-2673	28	17	salts	salt	NOUN
eurjchem-2673	28	18	with	with	ADP
eurjchem-2673	28	19	various	various	ADJ
eurjchem-2673	28	20	aliphatic	aliphatic	ADJ
eurjchem-2673	28	21	amines	amine	NOUN
eurjchem-2673	28	22	[	[	X
eurjchem-2673	28	23	8	8	NUM
eurjchem-2673	28	24	]	]	PUNCT
eurjchem-2673	28	25	and	and	CCONJ
eurjchem-2673	28	26	aromatic	aromatic	ADJ
eurjchem-2673	28	27	amines	amine	NOUN
eurjchem-2673	28	28	such	such	ADJ
eurjchem-2673	28	29	as	as	ADP
eurjchem-2673	28	30	some	some	DET
eurjchem-2673	28	31	aniline	aniline	NOUN
eurjchem-2673	28	32	derivatives	derivative	NOUN
eurjchem-2673	28	33	[	[	X
eurjchem-2673	28	34	9,10	9,10	X
eurjchem-2673	28	35	]	]	PUNCT
eurjchem-2673	28	36	and	and	CCONJ
eurjchem-2673	28	37	pyridine	pyridine	ADJ
eurjchem-2673	28	38	derivatives	derivative	NOUN
eurjchem-2673	28	39	[	[	X
eurjchem-2673	28	40	11	11	NUM
eurjchem-2673	28	41	-	-	SYM
eurjchem-2673	28	42	13	13	NUM
eurjchem-2673	28	43	]	]	PUNCT
eurjchem-2673	28	44	.	.	PUNCT
eurjchem-2673	29	1	it	it	PRON
eurjchem-2673	29	2	is	be	AUX
eurjchem-2673	29	3	also	also	ADV
eurjchem-2673	29	4	known	know	VERB
eurjchem-2673	29	5	for	for	ADP
eurjchem-2673	29	6	its	its	PRON
eurjchem-2673	29	7	ability	ability	NOUN
eurjchem-2673	29	8	to	to	PART
eurjchem-2673	29	9	form	form	VERB
eurjchem-2673	29	10	π	π	PROPN
eurjchem-2673	29	11	-	-	PUNCT
eurjchem-2673	29	12	π	π	NOUN
eurjchem-2673	29	13	*	*	NOUN
eurjchem-2673	29	14	interactions	interaction	NOUN
eurjchem-2673	29	15	with	with	ADP
eurjchem-2673	29	16	aromatic	aromatic	ADJ
eurjchem-2673	29	17	hydrocarbons	hydrocarbon	NOUN
eurjchem-2673	29	18	[	[	X
eurjchem-2673	29	19	14,15	14,15	NUM
eurjchem-2673	29	20	]	]	PUNCT
eurjchem-2673	29	21	.	.	PUNCT
eurjchem-2673	30	1	picric	picric	PROPN
eurjchem-2673	30	2	acid	acid	PROPN
eurjchem-2673	30	3	forms	form	NOUN
eurjchem-2673	30	4	simple	simple	ADJ
eurjchem-2673	30	5	picrate	picrate	ADJ
eurjchem-2673	30	6	salts	salt	NOUN
eurjchem-2673	30	7	from	from	ADP
eurjchem-2673	30	8	dimeric	dimeric	ADJ
eurjchem-2673	30	9	cations	cation	NOUN
eurjchem-2673	30	10	of	of	ADP
eurjchem-2673	30	11	the	the	DET
eurjchem-2673	30	12	aa+	aa+	PROPN
eurjchem-2673	30	13	type	type	NOUN
eurjchem-2673	30	14	,	,	PUNCT
eurjchem-2673	30	15	where	where	SCONJ
eurjchem-2673	30	16	a	a	PRON
eurjchem-2673	30	17	and	and	CCONJ
eurjchem-2673	30	18	a+	a+	PRON
eurjchem-2673	30	19	are	be	AUX
eurjchem-2673	30	20	amino	amino	ADJ
eurjchem-2673	30	21	acids	acid	NOUN
eurjchem-2673	30	22	in	in	ADP
eurjchem-2673	30	23	the	the	DET
eurjchem-2673	30	24	zwitter	zwitter	NOUN
eurjchem-2673	30	25	ionic	ionic	ADJ
eurjchem-2673	30	26	and	and	CCONJ
eurjchem-2673	30	27	singly	singly	ADV
eurjchem-2673	30	28	charged	charge	VERB
eurjchem-2673	30	29	cationic	cationic	ADJ
eurjchem-2673	30	30	states	state	NOUN
eurjchem-2673	30	31	[	[	X
eurjchem-2673	30	32	1618	1618	NUM
eurjchem-2673	30	33	]	]	PUNCT
eurjchem-2673	30	34	.	.	PUNCT
eurjchem-2673	31	1	many	many	ADJ
eurjchem-2673	31	2	molecular	molecular	ADJ
eurjchem-2673	31	3	organic	organic	ADJ
eurjchem-2673	31	4	change	change	NOUN
eurjchem-2673	31	5	transfer	transfer	NOUN
eurjchem-2673	31	6	crystals	crystal	NOUN
eurjchem-2673	31	7	of	of	ADP
eurjchem-2673	31	8	picric	picric	ADJ
eurjchem-2673	31	9	acid(donor	acid(donor	NOUN
eurjchem-2673	31	10	)	)	PUNCT
eurjchem-2673	31	11	with	with	ADP
eurjchem-2673	31	12	organic	organic	ADJ
eurjchem-2673	31	13	acceptor	acceptor	NOUN
eurjchem-2673	31	14	molecules	molecule	NOUN
eurjchem-2673	31	15	exhibit	exhibit	VERB
eurjchem-2673	31	16	especially	especially	ADV
eurjchem-2673	31	17	applications	application	NOUN
eurjchem-2673	31	18	such	such	ADJ
eurjchem-2673	31	19	as	as	ADP
eurjchem-2673	31	20	organic	organic	ADJ
eurjchem-2673	31	21	non	non	ADJ
eurjchem-2673	31	22	-	-	ADJ
eurjchem-2673	31	23	linear	linear	ADJ
eurjchem-2673	31	24	optical	optical	ADJ
eurjchem-2673	31	25	material	material	NOUN
eurjchem-2673	31	26	(	(	PUNCT
eurjchem-2673	31	27	nlo	nlo	PROPN
eurjchem-2673	31	28	)	)	PUNCT
eurjchem-2673	32	1	[	[	X
eurjchem-2673	32	2	19,20	19,20	X
eurjchem-2673	32	3	]	]	PUNCT
eurjchem-2673	32	4	.	.	PUNCT
eurjchem-2673	33	1	the	the	DET
eurjchem-2673	33	2	purpose	purpose	NOUN
eurjchem-2673	33	3	of	of	ADP
eurjchem-2673	33	4	this	this	DET
eurjchem-2673	33	5	comment	comment	NOUN
eurjchem-2673	33	6	is	be	AUX
eurjchem-2673	33	7	to	to	PART
eurjchem-2673	33	8	point	point	VERB
eurjchem-2673	33	9	out	out	ADP
eurjchem-2673	33	10	that	that	SCONJ
eurjchem-2673	33	11	the	the	DET
eurjchem-2673	33	12	title	title	NOUN
eurjchem-2673	33	13	of	of	ADP
eurjchem-2673	33	14	the	the	DET
eurjchem-2673	33	15	article	article	NOUN
eurjchem-2673	33	16	is	be	AUX
eurjchem-2673	33	17	2-(pyridine-2	2-(pyridine-2	NUM
eurjchem-2673	33	18	-	-	PUNCT
eurjchem-2673	33	19	ylthio)pyridine-1	ylthio)pyridine-1	NOUN
eurjchem-2673	33	20	-	-	PUNCT
eurjchem-2673	33	21	ium	ium	NOUN
eurjchem-2673	33	22	picrate	picrate	NOUN
eurjchem-2673	33	23	(	(	PUNCT
eurjchem-2673	33	24	c10h8n2s·c6h3n3o7	c10h8n2s·c6h3n3o7	NOUN
eurjchem-2673	33	25	)	)	PUNCT
eurjchem-2673	33	26	and	and	CCONJ
eurjchem-2673	33	27	not	not	PART
eurjchem-2673	33	28	2	2	NUM
eurjchem-2673	33	29	-	-	PUNCT
eurjchem-2673	33	30	mercaptopyridinium	mercaptopyridinium	NOUN
eurjchem-2673	33	31	picrate	picrate	NOUN
eurjchem-2673	33	32	(	(	PUNCT
eurjchem-2673	33	33	c5h5ns·c6h3n3o7	c5h5ns·c6h3n3o7	NOUN
eurjchem-2673	33	34	)	)	PUNCT
eurjchem-2673	33	35	as	as	SCONJ
eurjchem-2673	33	36	might	might	AUX
eurjchem-2673	33	37	appear	appear	VERB
eurjchem-2673	33	38	when	when	SCONJ
eurjchem-2673	33	39	reading	read	VERB
eurjchem-2673	33	40	the	the	DET
eurjchem-2673	33	41	article	article	NOUN
eurjchem-2673	33	42	.	.	PUNCT
eurjchem-2673	34	1	pyridine	pyridine	NOUN
eurjchem-2673	34	2	is	be	AUX
eurjchem-2673	34	3	an	an	DET
eurjchem-2673	34	4	analog	analog	NOUN
eurjchem-2673	34	5	of	of	ADP
eurjchem-2673	34	6	benzene	benzene	NOUN
eurjchem-2673	34	7	and	and	CCONJ
eurjchem-2673	34	8	can	can	AUX
eurjchem-2673	34	9	undergo	undergo	VERB
eurjchem-2673	34	10	an	an	DET
eurjchem-2673	34	11	aromatic	aromatic	ADJ
eurjchem-2673	34	12	nucleophilic	nucleophilic	ADJ
eurjchem-2673	34	13	substitution	substitution	NOUN
eurjchem-2673	34	14	reaction	reaction	NOUN
eurjchem-2673	34	15	,	,	PUNCT
eurjchem-2673	34	16	similar	similar	ADJ
eurjchem-2673	34	17	to	to	ADP
eurjchem-2673	34	18	benzene	benzene	NOUN
eurjchem-2673	34	19	,	,	PUNCT
eurjchem-2673	34	20	through	through	ADP
eurjchem-2673	34	21	an	an	DET
eurjchem-2673	34	22	e1cb	e1cb	NOUN
eurjchem-2673	34	23	alkyne	alkyne	ADJ
eurjchem-2673	34	24	elimination	elimination	NOUN
eurjchem-2673	34	25	reaction	reaction	NOUN
eurjchem-2673	34	26	mechanism	mechanism	NOUN
eurjchem-2673	34	27	[	[	X
eurjchem-2673	34	28	21,22	21,22	X
eurjchem-2673	34	29	]	]	X
eurjchem-2673	34	30	.	.	PUNCT
eurjchem-2673	35	1	in	in	ADP
eurjchem-2673	35	2	this	this	DET
eurjchem-2673	35	3	study	study	NOUN
eurjchem-2673	35	4	,	,	PUNCT
eurjchem-2673	35	5	we	we	PRON
eurjchem-2673	35	6	successfully	successfully	ADV
eurjchem-2673	35	7	synthesized	synthesize	VERB
eurjchem-2673	35	8	a	a	DET
eurjchem-2673	35	9	novel	novel	ADJ
eurjchem-2673	35	10	picrate	picrate	ADJ
eurjchem-2673	35	11	salt	salt	NOUN
eurjchem-2673	35	12	using	use	VERB
eurjchem-2673	35	13	a	a	DET
eurjchem-2673	35	14	distinctive	distinctive	ADJ
eurjchem-2673	35	15	synthetic	synthetic	ADJ
eurjchem-2673	35	16	pathway	pathway	NOUN
eurjchem-2673	35	17	,	,	PUNCT
eurjchem-2673	35	18	as	as	SCONJ
eurjchem-2673	35	19	illustrated	illustrate	VERB
eurjchem-2673	35	20	in	in	ADP
eurjchem-2673	35	21	scheme	scheme	NOUN
eurjchem-2673	35	22	1	1	NUM
eurjchem-2673	35	23	.	.	PUNCT
eurjchem-2673	36	1	the	the	DET
eurjchem-2673	36	2	structure	structure	NOUN
eurjchem-2673	36	3	of	of	ADP
eurjchem-2673	36	4	the	the	DET
eurjchem-2673	36	5	compound	compound	NOUN
eurjchem-2673	36	6	was	be	AUX
eurjchem-2673	36	7	thoroughly	thoroughly	ADV
eurjchem-2673	36	8	characterized	characterize	VERB
eurjchem-2673	36	9	through	through	ADP
eurjchem-2673	36	10	elemental	elemental	ADJ
eurjchem-2673	36	11	analysis	analysis	NOUN
eurjchem-2673	36	12	and	and	CCONJ
eurjchem-2673	36	13	a	a	DET
eurjchem-2673	36	14	variety	variety	NOUN
eurjchem-2673	36	15	of	of	ADP
eurjchem-2673	36	16	spectroscopic	spectroscopic	ADJ
eurjchem-2673	36	17	techniques	technique	NOUN
eurjchem-2673	36	18	,	,	PUNCT
eurjchem-2673	36	19	including	include	VERB
eurjchem-2673	36	20	ft	ft	PROPN
eurjchem-2673	36	21	-	-	PUNCT
eurjchem-2673	36	22	ir	ir	PROPN
eurjchem-2673	36	23	,	,	PUNCT
eurjchem-2673	36	24	1h	1h	NUM
eurjchem-2673	36	25	nmr	nmr	NOUN
eurjchem-2673	36	26	,	,	PUNCT
eurjchem-2673	36	27	and	and	CCONJ
eurjchem-2673	36	28	13c	13c	NOUN
eurjchem-2673	36	29	nmr	nmr	NOUN
eurjchem-2673	36	30	.	.	PUNCT
eurjchem-2673	37	1	the	the	DET
eurjchem-2673	37	2	crystal	crystal	NOUN
eurjchem-2673	37	3	structure	structure	NOUN
eurjchem-2673	37	4	was	be	AUX
eurjchem-2673	37	5	determined	determine	VERB
eurjchem-2673	37	6	via	via	ADP
eurjchem-2673	37	7	single	single	ADJ
eurjchem-2673	37	8	-	-	PUNCT
eurjchem-2673	37	9	crystal	crystal	NOUN
eurjchem-2673	37	10	xray	xray	PROPN
eurjchem-2673	37	11	diffraction	diffraction	PROPN
eurjchem-2673	37	12	.	.	PUNCT
eurjchem-2673	38	1	to	to	PART
eurjchem-2673	38	2	explore	explore	VERB
eurjchem-2673	38	3	the	the	DET
eurjchem-2673	38	4	electronic	electronic	ADJ
eurjchem-2673	38	5	properties	property	NOUN
eurjchem-2673	38	6	,	,	PUNCT
eurjchem-2673	38	7	global	global	ADJ
eurjchem-2673	38	8	reactivity	reactivity	NOUN
eurjchem-2673	38	9	,	,	PUNCT
eurjchem-2673	38	10	thermal	thermal	ADJ
eurjchem-2673	38	11	properties	property	NOUN
eurjchem-2673	38	12	,	,	PUNCT
eurjchem-2673	38	13	and	and	CCONJ
eurjchem-2673	38	14	nbo	nbo	VERB
eurjchem-2673	38	15	analysis	analysis	NOUN
eurjchem-2673	38	16	of	of	ADP
eurjchem-2673	38	17	the	the	DET
eurjchem-2673	38	18	compound	compound	NOUN
eurjchem-2673	38	19	,	,	PUNCT
eurjchem-2673	38	20	we	we	PRON
eurjchem-2673	38	21	performed	perform	VERB
eurjchem-2673	38	22	density	density	NOUN
eurjchem-2673	38	23	functional	functional	ADJ
eurjchem-2673	38	24	theory	theory	NOUN
eurjchem-2673	38	25	(	(	PUNCT
eurjchem-2673	38	26	dft	dft	NOUN
eurjchem-2673	38	27	)	)	PUNCT
eurjchem-2673	38	28	calculations	calculation	NOUN
eurjchem-2673	38	29	at	at	ADP
eurjchem-2673	38	30	the	the	DET
eurjchem-2673	38	31	b3lyp/6	b3lyp/6	NOUN
eurjchem-2673	38	32	-	-	NOUN
eurjchem-2673	38	33	311g(d	311g(d	NUM
eurjchem-2673	38	34	,	,	PUNCT
eurjchem-2673	38	35	p	p	NOUN
eurjchem-2673	38	36	)	)	PUNCT
eurjchem-2673	38	37	level	level	NOUN
eurjchem-2673	38	38	.	.	PUNCT
eurjchem-2673	39	1	abstract	abstract	ADJ
eurjchem-2673	39	2	research	research	NOUN
eurjchem-2673	39	3	article	article	NOUN
eurjchem-2673	39	4	keywords	keyword	VERB
eurjchem-2673	39	5	https://dx.doi.org/10.5155/eurjchem.16.2.117-128.2673	https://dx.doi.org/10.5155/eurjchem.16.2.117-128.2673	PROPN
eurjchem-2673	39	6	https://www.eurjchem.com/	https://www.eurjchem.com/	PROPN
eurjchem-2673	39	7	https://dx.doi.org/10.5155/eurjchem.16.2.117-128.2673	https://dx.doi.org/10.5155/eurjchem.16.2.117-128.2673	PROPN
eurjchem-2673	39	8	mailto:faydin@comu.edu.tr	mailto:faydin@comu.edu.tr	PROPN
eurjchem-2673	39	9	http://www.eurjchem.com/	http://www.eurjchem.com/	PROPN
eurjchem-2673	39	10	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.16.2.117-128.2673&domain=pdf&date_stamp=2025-06-30	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.16.2.117-128.2673&domain=pdf&date_stamp=2025-06-30	NOUN
eurjchem-2673	39	11	118	118	NUM
eurjchem-2673	39	12	aydin	aydin	NOUN
eurjchem-2673	39	13	and	and	CCONJ
eurjchem-2673	39	14	kiraz	kiraz	PROPN
eurjchem-2673	39	15	/	/	SYM
eurjchem-2673	39	16	european	european	PROPN
eurjchem-2673	39	17	journal	journal	PROPN
eurjchem-2673	39	18	of	of	ADP
eurjchem-2673	39	19	chemistry	chemistry	NOUN
eurjchem-2673	39	20	16	16	NUM
eurjchem-2673	39	21	(	(	PUNCT
eurjchem-2673	39	22	2	2	NUM
eurjchem-2673	39	23	)	)	PUNCT
eurjchem-2673	39	24	(	(	PUNCT
eurjchem-2673	39	25	2025	2025	NUM
eurjchem-2673	39	26	)	)	PUNCT
eurjchem-2673	39	27	117	117	NUM
eurjchem-2673	39	28	-	-	SYM
eurjchem-2673	39	29	128	128	NUM
eurjchem-2673	39	30	2025	2025	NUM
eurjchem-2673	39	31	–	–	PUNCT
eurjchem-2673	39	32	european	european	ADJ
eurjchem-2673	39	33	journal	journal	NOUN
eurjchem-2673	39	34	of	of	ADP
eurjchem-2673	39	35	chemistry	chemistry	NOUN
eurjchem-2673	39	36	–	–	PUNCT
eurjchem-2673	39	37	cc	cc	NOUN
eurjchem-2673	39	38	by	by	ADP
eurjchem-2673	39	39	nc	nc	PROPN
eurjchem-2673	39	40	–	–	PUNCT
eurjchem-2673	39	41	doi	doi	NOUN
eurjchem-2673	39	42	:	:	PUNCT
eurjchem-2673	39	43	10.5155	10.5155	NUM
eurjchem-2673	39	44	/	/	SYM
eurjchem-2673	39	45	eurjchem.16.2.117	eurjchem.16.2.117	VERB
eurjchem-2673	39	46	-	-	SYM
eurjchem-2673	39	47	128.2673	128.2673	NUM
eurjchem-2673	39	48	scheme	scheme	NOUN
eurjchem-2673	39	49	1	1	NUM
eurjchem-2673	39	50	.	.	PUNCT
eurjchem-2673	39	51	reaction	reaction	NOUN
eurjchem-2673	39	52	pathway	pathway	NOUN
eurjchem-2673	39	53	for	for	ADP
eurjchem-2673	39	54	the	the	DET
eurjchem-2673	39	55	synthesis	synthesis	NOUN
eurjchem-2673	39	56	of	of	ADP
eurjchem-2673	39	57	the	the	DET
eurjchem-2673	39	58	title	title	NOUN
eurjchem-2673	39	59	compound	compound	NOUN
eurjchem-2673	39	60	,	,	PUNCT
eurjchem-2673	39	61	2	2	NUM
eurjchem-2673	39	62	-	-	PUNCT
eurjchem-2673	39	63	pyrtppc	pyrtppc	NOUN
eurjchem-2673	39	64	.	.	PUNCT
eurjchem-2673	40	1	figure	figure	NOUN
eurjchem-2673	40	2	1	1	NUM
eurjchem-2673	40	3	.	.	PUNCT
eurjchem-2673	41	1	photograph	photograph	NOUN
eurjchem-2673	41	2	of	of	ADP
eurjchem-2673	41	3	the	the	DET
eurjchem-2673	41	4	2	2	NUM
eurjchem-2673	41	5	-	-	PUNCT
eurjchem-2673	41	6	pyrtppc	pyrtppc	NOUN
eurjchem-2673	41	7	crystals	crystal	NOUN
eurjchem-2673	41	8	.	.	PUNCT
eurjchem-2673	42	1	the	the	DET
eurjchem-2673	42	2	exceptional	exceptional	ADJ
eurjchem-2673	42	3	features	feature	NOUN
eurjchem-2673	42	4	of	of	ADP
eurjchem-2673	42	5	both	both	CCONJ
eurjchem-2673	42	6	experimental	experimental	ADJ
eurjchem-2673	42	7	and	and	CCONJ
eurjchem-2673	42	8	theoretical	theoretical	ADJ
eurjchem-2673	42	9	infrared	infrared	NOUN
eurjchem-2673	42	10	and	and	CCONJ
eurjchem-2673	42	11	raman	raman	NOUN
eurjchem-2673	42	12	spectra	spectra	NOUN
eurjchem-2673	42	13	were	be	AUX
eurjchem-2673	42	14	meticulously	meticulously	ADV
eurjchem-2673	42	15	examined	examine	VERB
eurjchem-2673	42	16	in	in	ADP
eurjchem-2673	42	17	the	the	DET
eurjchem-2673	42	18	article	article	NOUN
eurjchem-2673	42	19	[	[	X
eurjchem-2673	42	20	23,24	23,24	ADP
eurjchem-2673	42	21	]	]	X
eurjchem-2673	42	22	.	.	PUNCT
eurjchem-2673	43	1	2	2	X
eurjchem-2673	43	2	.	.	X
eurjchem-2673	43	3	experimental	experimental	ADJ
eurjchem-2673	43	4	2.1	2.1	NUM
eurjchem-2673	43	5	.	.	PUNCT
eurjchem-2673	44	1	general	general	ADJ
eurjchem-2673	44	2	remarks	remark	VERB
eurjchem-2673	44	3	2,4,6	2,4,6	NUM
eurjchem-2673	44	4	-	-	NOUN
eurjchem-2673	44	5	trinitrophenol	trinitrophenol	NOUN
eurjchem-2673	44	6	(	(	PUNCT
eurjchem-2673	44	7	picric	picric	ADJ
eurjchem-2673	44	8	acid	acid	NOUN
eurjchem-2673	44	9	)	)	PUNCT
eurjchem-2673	44	10	,	,	PUNCT
eurjchem-2673	44	11	2	2	NUM
eurjchem-2673	44	12	-	-	PUNCT
eurjchem-2673	44	13	mercaptopyridine	mercaptopyridine	NOUN
eurjchem-2673	44	14	,	,	PUNCT
eurjchem-2673	44	15	ethanol	ethanol	NOUN
eurjchem-2673	44	16	,	,	PUNCT
eurjchem-2673	44	17	tetrahydrofuran	tetrahydrofuran	NOUN
eurjchem-2673	44	18	,	,	PUNCT
eurjchem-2673	44	19	and	and	CCONJ
eurjchem-2673	44	20	chloroform	chloroform	NOUN
eurjchem-2673	44	21	were	be	AUX
eurjchem-2673	44	22	purchased	purchase	VERB
eurjchem-2673	44	23	from	from	ADP
eurjchem-2673	44	24	sigma	sigma	PROPN
eurjchem-2673	44	25	-	-	PUNCT
eurjchem-2673	44	26	aldrich	aldrich	PROPN
eurjchem-2673	44	27	and	and	CCONJ
eurjchem-2673	44	28	merck	merck	PROPN
eurjchem-2673	44	29	chemicals	chemical	NOUN
eurjchem-2673	44	30	.	.	PUNCT
eurjchem-2673	45	1	the	the	DET
eurjchem-2673	45	2	melting	melting	NOUN
eurjchem-2673	45	3	point	point	NOUN
eurjchem-2673	45	4	of	of	ADP
eurjchem-2673	45	5	the	the	DET
eurjchem-2673	45	6	compound	compound	NOUN
eurjchem-2673	45	7	was	be	AUX
eurjchem-2673	45	8	determined	determine	VERB
eurjchem-2673	45	9	using	use	VERB
eurjchem-2673	45	10	an	an	DET
eurjchem-2673	45	11	electrothermal	electrothermal	ADJ
eurjchem-2673	45	12	9100	9100	NUM
eurjchem-2673	45	13	®	®	NOUN
eurjchem-2673	45	14	apparatus	apparatus	NOUN
eurjchem-2673	45	15	.	.	PUNCT
eurjchem-2673	46	1	elemental	elemental	ADJ
eurjchem-2673	46	2	analyzes	analyze	NOUN
eurjchem-2673	46	3	were	be	AUX
eurjchem-2673	46	4	carried	carry	VERB
eurjchem-2673	46	5	out	out	ADP
eurjchem-2673	46	6	using	use	VERB
eurjchem-2673	46	7	a	a	DET
eurjchem-2673	46	8	carloerba	carloerba	NOUN
eurjchem-2673	46	9	instrument	instrument	NOUN
eurjchem-2673	46	10	.	.	PUNCT
eurjchem-2673	47	1	ft	ft	PROPN
eurjchem-2673	47	2	-	-	PUNCT
eurjchem-2673	47	3	ir	ir	NOUN
eurjchem-2673	47	4	analysis	analysis	NOUN
eurjchem-2673	47	5	was	be	AUX
eurjchem-2673	47	6	performed	perform	VERB
eurjchem-2673	47	7	on	on	ADP
eurjchem-2673	47	8	a	a	DET
eurjchem-2673	47	9	perkin	perkin	PROPN
eurjchem-2673	47	10	elmer	elmer	PROPN
eurjchem-2673	47	11	spectrum-100	spectrum-100	PROPN
eurjchem-2673	47	12	ft	ft	PROPN
eurjchem-2673	47	13	-	-	PUNCT
eurjchem-2673	47	14	ir	ir	NOUN
eurjchem-2673	47	15	instrument	instrument	NOUN
eurjchem-2673	47	16	with	with	ADP
eurjchem-2673	47	17	an	an	DET
eurjchem-2673	47	18	atr	atr	NOUN
eurjchem-2673	47	19	apparatus	apparatus	NOUN
eurjchem-2673	47	20	in	in	ADP
eurjchem-2673	47	21	the	the	DET
eurjchem-2673	47	22	range	range	NOUN
eurjchem-2673	47	23	of	of	ADP
eurjchem-2673	47	24	4000	4000	NUM
eurjchem-2673	47	25	-	-	SYM
eurjchem-2673	47	26	650	650	NUM
eurjchem-2673	47	27	cm-1	cm-1	NOUN
eurjchem-2673	47	28	.	.	PUNCT
eurjchem-2673	48	1	the	the	DET
eurjchem-2673	48	2	raman	raman	NOUN
eurjchem-2673	48	3	spectrum	spectrum	NOUN
eurjchem-2673	48	4	was	be	AUX
eurjchem-2673	48	5	recorded	record	VERB
eurjchem-2673	48	6	in	in	ADP
eurjchem-2673	48	7	the	the	DET
eurjchem-2673	48	8	region	region	NOUN
eurjchem-2673	48	9	of	of	ADP
eurjchem-2673	48	10	3500	3500	NUM
eurjchem-2673	48	11	-	-	SYM
eurjchem-2673	48	12	150	150	NUM
eurjchem-2673	48	13	cm-1	cm-1	NOUN
eurjchem-2673	48	14	on	on	ADP
eurjchem-2673	48	15	a	a	DET
eurjchem-2673	48	16	witec	witec	ADJ
eurjchem-2673	48	17	alpha	alpha	NOUN
eurjchem-2673	48	18	300ra	300ra	NOUN
eurjchem-2673	48	19	ft	ft	NOUN
eurjchem-2673	48	20	-	-	PUNCT
eurjchem-2673	48	21	raman	raman	NOUN
eurjchem-2673	48	22	spectrometer	spectrometer	NOUN
eurjchem-2673	48	23	using	use	VERB
eurjchem-2673	48	24	a	a	DET
eurjchem-2673	48	25	532	532	NUM
eurjchem-2673	48	26	nm	nm	ADJ
eurjchem-2673	48	27	green	green	ADJ
eurjchem-2673	48	28	laser	laser	NOUN
eurjchem-2673	48	29	.	.	PUNCT
eurjchem-2673	49	1	the	the	DET
eurjchem-2673	49	2	1h	1h	NUM
eurjchem-2673	49	3	nmr	nmr	NOUN
eurjchem-2673	49	4	and	and	CCONJ
eurjchem-2673	49	5	13c	13c	NOUN
eurjchem-2673	49	6	nmr	nmr	NOUN
eurjchem-2673	49	7	spectra	spectra	NOUN
eurjchem-2673	49	8	were	be	AUX
eurjchem-2673	49	9	recorded	record	VERB
eurjchem-2673	49	10	on	on	ADP
eurjchem-2673	49	11	a	a	DET
eurjchem-2673	49	12	bruker	bruker	PROPN
eurjchem-2673	49	13	gmbh	gmbh	PROPN
eurjchem-2673	49	14	nmr	nmr	NOUN
eurjchem-2673	49	15	spectrometer	spectrometer	NOUN
eurjchem-2673	49	16	using	use	VERB
eurjchem-2673	49	17	cdcl3	cdcl3	NOUN
eurjchem-2673	49	18	as	as	ADP
eurjchem-2673	49	19	a	a	DET
eurjchem-2673	49	20	solvent	solvent	NOUN
eurjchem-2673	49	21	and	and	CCONJ
eurjchem-2673	49	22	tms	tms	PROPN
eurjchem-2673	49	23	as	as	ADP
eurjchem-2673	49	24	the	the	DET
eurjchem-2673	49	25	internal	internal	ADJ
eurjchem-2673	49	26	standard	standard	NOUN
eurjchem-2673	49	27	.	.	PUNCT
eurjchem-2673	50	1	crystal	crystal	NOUN
eurjchem-2673	50	2	structure	structure	NOUN
eurjchem-2673	50	3	analysis	analysis	NOUN
eurjchem-2673	50	4	of	of	ADP
eurjchem-2673	50	5	the	the	DET
eurjchem-2673	50	6	compound	compound	NOUN
eurjchem-2673	50	7	was	be	AUX
eurjchem-2673	50	8	performed	perform	VERB
eurjchem-2673	50	9	using	use	VERB
eurjchem-2673	50	10	a	a	DET
eurjchem-2673	50	11	bruker	bruker	NOUN
eurjchem-2673	50	12	d8	d8	PROPN
eurjchem-2673	50	13	quest	quest	NOUN
eurjchem-2673	50	14	x	x	NOUN
eurjchem-2673	50	15	-	-	NOUN
eurjchem-2673	50	16	ray	ray	NOUN
eurjchem-2673	50	17	diffractometer	diffractometer	NOUN
eurjchem-2673	50	18	(	(	PUNCT
eurjchem-2673	50	19	mokα	mokα	ADJ
eurjchem-2673	50	20	radiation	radiation	NOUN
eurjchem-2673	50	21	,	,	PUNCT
eurjchem-2673	50	22	λ	λ	X
eurjchem-2673	50	23	=	=	SYM
eurjchem-2673	50	24	0.71073	0.71073	NUM
eurjchem-2673	50	25	)	)	PUNCT
eurjchem-2673	50	26	.	.	PUNCT
eurjchem-2673	51	1	tg	tg	PROPN
eurjchem-2673	51	2	/	/	SYM
eurjchem-2673	51	3	dtg	dtg	PROPN
eurjchem-2673	51	4	analysis	analysis	NOUN
eurjchem-2673	51	5	of	of	ADP
eurjchem-2673	51	6	the	the	DET
eurjchem-2673	51	7	compound	compound	NOUN
eurjchem-2673	51	8	was	be	AUX
eurjchem-2673	51	9	performed	perform	VERB
eurjchem-2673	51	10	using	use	VERB
eurjchem-2673	51	11	a	a	DET
eurjchem-2673	51	12	perkin	perkin	PROPN
eurjchem-2673	51	13	elmer	elmer	PROPN
eurjchem-2673	51	14	tga8000	tga8000	PROPN
eurjchem-2673	51	15	instrument	instrument	PROPN
eurjchem-2673	51	16	.	.	PUNCT
eurjchem-2673	52	1	thermogravimetric	thermogravimetric	ADJ
eurjchem-2673	52	2	analysis	analysis	NOUN
eurjchem-2673	52	3	(	(	PUNCT
eurjchem-2673	52	4	tga	tga	NOUN
eurjchem-2673	52	5	)	)	PUNCT
eurjchem-2673	52	6	of	of	ADP
eurjchem-2673	52	7	the	the	DET
eurjchem-2673	52	8	sample	sample	NOUN
eurjchem-2673	52	9	(	(	PUNCT
eurjchem-2673	52	10	8.899	8.899	NUM
eurjchem-2673	52	11	mg	mg	NOUN
eurjchem-2673	52	12	)	)	PUNCT
eurjchem-2673	52	13	was	be	AUX
eurjchem-2673	52	14	carried	carry	VERB
eurjchem-2673	52	15	out	out	ADP
eurjchem-2673	52	16	under	under	ADP
eurjchem-2673	52	17	a	a	DET
eurjchem-2673	52	18	nitrogen	nitrogen	NOUN
eurjchem-2673	52	19	atmosphere	atmosphere	NOUN
eurjchem-2673	52	20	with	with	ADP
eurjchem-2673	52	21	a	a	DET
eurjchem-2673	52	22	heating	heating	NOUN
eurjchem-2673	52	23	rate	rate	NOUN
eurjchem-2673	52	24	of	of	ADP
eurjchem-2673	52	25	20	20	NUM
eurjchem-2673	52	26	°	°	NOUN
eurjchem-2673	52	27	c	c	NOUN
eurjchem-2673	52	28	/	/	SYM
eurjchem-2673	52	29	min	min	NOUN
eurjchem-2673	52	30	from	from	ADP
eurjchem-2673	52	31	30	30	NUM
eurjchem-2673	52	32	to	to	PART
eurjchem-2673	52	33	800	800	NUM
eurjchem-2673	52	34	°	°	ADP
eurjchem-2673	52	35	c	c	NOUN
eurjchem-2673	52	36	on	on	ADP
eurjchem-2673	52	37	a	a	DET
eurjchem-2673	52	38	perkinelmer	perkinelmer	NOUN
eurjchem-2673	52	39	tga	tga	PROPN
eurjchem-2673	52	40	8000	8000	NUM
eurjchem-2673	52	41	analyzer	analyzer	NOUN
eurjchem-2673	52	42	.	.	PUNCT
eurjchem-2673	53	1	2.2	2.2	NUM
eurjchem-2673	53	2	.	.	PUNCT
eurjchem-2673	53	3	synthesis	synthesis	NOUN
eurjchem-2673	53	4	of	of	ADP
eurjchem-2673	53	5	2-(pyridine-2	2-(pyridine-2	NUM
eurjchem-2673	53	6	-	-	PUNCT
eurjchem-2673	53	7	ylthio)pyridine-1	ylthio)pyridine-1	NOUN
eurjchem-2673	53	8	-	-	PUNCT
eurjchem-2673	53	9	ium	ium	NOUN
eurjchem-2673	53	10	picrate	picrate	NOUN
eurjchem-2673	53	11	,	,	PUNCT
eurjchem-2673	53	12	2	2	NUM
eurjchem-2673	53	13	-	-	PUNCT
eurjchem-2673	53	14	pyrtppc	pyrtppc	ADJ
eurjchem-2673	53	15	commercial	commercial	ADJ
eurjchem-2673	53	16	picric	picric	ADJ
eurjchem-2673	53	17	acid	acid	NOUN
eurjchem-2673	53	18	(	(	PUNCT
eurjchem-2673	53	19	1	1	NUM
eurjchem-2673	53	20	%	%	NOUN
eurjchem-2673	53	21	in	in	ADP
eurjchem-2673	53	22	h2o	h2o	PROPN
eurjchem-2673	53	23	)	)	PUNCT
eurjchem-2673	53	24	purchased	purchase	VERB
eurjchem-2673	53	25	from	from	ADP
eurjchem-2673	53	26	sigmaaldrich	sigmaaldrich	PROPN
eurjchem-2673	53	27	was	be	AUX
eurjchem-2673	53	28	crystallized	crystallize	VERB
eurjchem-2673	53	29	using	use	VERB
eurjchem-2673	53	30	ethanol	ethanol	NOUN
eurjchem-2673	53	31	.	.	PUNCT
eurjchem-2673	54	1	the	the	DET
eurjchem-2673	54	2	resulting	result	VERB
eurjchem-2673	54	3	crystallized	crystallize	VERB
eurjchem-2673	54	4	picric	picric	ADJ
eurjchem-2673	54	5	acid	acid	NOUN
eurjchem-2673	54	6	(	(	PUNCT
eurjchem-2673	54	7	2.29	2.29	NUM
eurjchem-2673	54	8	g	g	NOUN
eurjchem-2673	54	9	,	,	PUNCT
eurjchem-2673	54	10	10	10	NUM
eurjchem-2673	54	11	mmol	mmol	NOUN
eurjchem-2673	54	12	)	)	PUNCT
eurjchem-2673	54	13	was	be	AUX
eurjchem-2673	54	14	dissolved	dissolve	VERB
eurjchem-2673	54	15	in	in	ADP
eurjchem-2673	54	16	chloroform	chloroform	NOUN
eurjchem-2673	54	17	(	(	PUNCT
eurjchem-2673	54	18	20	20	NUM
eurjchem-2673	54	19	ml	ml	NOUN
eurjchem-2673	54	20	)	)	PUNCT
eurjchem-2673	54	21	,	,	PUNCT
eurjchem-2673	54	22	and	and	CCONJ
eurjchem-2673	54	23	2	2	NUM
eurjchem-2673	54	24	-	-	PUNCT
eurjchem-2673	54	25	mercapto	mercapto	NOUN
eurjchem-2673	54	26	pyridine	pyridine	NOUN
eurjchem-2673	54	27	(	(	PUNCT
eurjchem-2673	54	28	1.11	1.11	NUM
eurjchem-2673	54	29	g	g	NOUN
eurjchem-2673	54	30	,	,	PUNCT
eurjchem-2673	54	31	10	10	NUM
eurjchem-2673	54	32	mmol	mmol	NOUN
eurjchem-2673	54	33	)	)	PUNCT
eurjchem-2673	54	34	in	in	ADP
eurjchem-2673	54	35	chloroform	chloroform	NOUN
eurjchem-2673	54	36	(	(	PUNCT
eurjchem-2673	54	37	15	15	NUM
eurjchem-2673	54	38	ml	ml	NOUN
eurjchem-2673	54	39	)	)	PUNCT
eurjchem-2673	54	40	was	be	AUX
eurjchem-2673	54	41	added	add	VERB
eurjchem-2673	54	42	dropwise	dropwise	NOUN
eurjchem-2673	54	43	to	to	ADP
eurjchem-2673	54	44	the	the	DET
eurjchem-2673	54	45	solution	solution	NOUN
eurjchem-2673	54	46	.	.	PUNCT
eurjchem-2673	55	1	the	the	DET
eurjchem-2673	55	2	mixture	mixture	NOUN
eurjchem-2673	55	3	was	be	AUX
eurjchem-2673	55	4	refluxed	refluxe	VERB
eurjchem-2673	55	5	with	with	ADP
eurjchem-2673	55	6	stirring	stir	VERB
eurjchem-2673	55	7	for	for	ADP
eurjchem-2673	55	8	four	four	NUM
eurjchem-2673	55	9	hours	hour	NOUN
eurjchem-2673	55	10	.	.	PUNCT
eurjchem-2673	56	1	after	after	ADP
eurjchem-2673	56	2	that	that	PRON
eurjchem-2673	56	3	,	,	PUNCT
eurjchem-2673	56	4	the	the	DET
eurjchem-2673	56	5	reddish	reddish	ADJ
eurjchem-2673	56	6	oil	oil	NOUN
eurjchem-2673	56	7	product	product	NOUN
eurjchem-2673	56	8	obtained	obtain	VERB
eurjchem-2673	56	9	was	be	AUX
eurjchem-2673	56	10	crystallized	crystallize	VERB
eurjchem-2673	56	11	by	by	ADP
eurjchem-2673	56	12	slow	slow	ADJ
eurjchem-2673	56	13	evaporation	evaporation	NOUN
eurjchem-2673	56	14	of	of	ADP
eurjchem-2673	56	15	chloroform	chloroform	NOUN
eurjchem-2673	56	16	.	.	PUNCT
eurjchem-2673	57	1	the	the	DET
eurjchem-2673	57	2	reddish	reddish	ADJ
eurjchem-2673	57	3	seed	seed	NOUN
eurjchem-2673	57	4	crystal	crystal	NOUN
eurjchem-2673	57	5	of	of	ADP
eurjchem-2673	57	6	the	the	DET
eurjchem-2673	57	7	title	title	NOUN
eurjchem-2673	57	8	compound	compound	NOUN
eurjchem-2673	57	9	was	be	AUX
eurjchem-2673	57	10	grown	grow	VERB
eurjchem-2673	57	11	by	by	ADP
eurjchem-2673	57	12	the	the	DET
eurjchem-2673	57	13	slow	slow	ADJ
eurjchem-2673	57	14	evaporation	evaporation	NOUN
eurjchem-2673	57	15	method	method	NOUN
eurjchem-2673	57	16	,	,	PUNCT
eurjchem-2673	57	17	after	after	ADP
eurjchem-2673	57	18	dissolving	dissolve	VERB
eurjchem-2673	57	19	the	the	DET
eurjchem-2673	57	20	crystallized	crystallized	ADJ
eurjchem-2673	57	21	salt	salt	NOUN
eurjchem-2673	57	22	in	in	ADP
eurjchem-2673	57	23	thf	thf	NOUN
eurjchem-2673	57	24	at	at	ADP
eurjchem-2673	57	25	room	room	NOUN
eurjchem-2673	57	26	temperature	temperature	NOUN
eurjchem-2673	57	27	.	.	PUNCT
eurjchem-2673	58	1	after	after	ADP
eurjchem-2673	58	2	20	20	NUM
eurjchem-2673	58	3	days	day	NOUN
eurjchem-2673	58	4	,	,	PUNCT
eurjchem-2673	58	5	a	a	DET
eurjchem-2673	58	6	good	good	ADJ
eurjchem-2673	58	7	quality	quality	NOUN
eurjchem-2673	58	8	single	single	ADJ
eurjchem-2673	58	9	crystal	crystal	NOUN
eurjchem-2673	58	10	was	be	AUX
eurjchem-2673	58	11	harvested	harvest	VERB
eurjchem-2673	58	12	and	and	CCONJ
eurjchem-2673	58	13	is	be	AUX
eurjchem-2673	58	14	shown	show	VERB
eurjchem-2673	58	15	photographically	photographically	ADV
eurjchem-2673	58	16	in	in	ADP
eurjchem-2673	58	17	figure	figure	NOUN
eurjchem-2673	58	18	1	1	NUM
eurjchem-2673	58	19	.	.	PUNCT
eurjchem-2673	59	1	2(pyridine-2	2(pyridine-2	NUM
eurjchem-2673	59	2	-	-	PUNCT
eurjchem-2673	59	3	ylthio)pyridine-1	ylthio)pyridine-1	NOUN
eurjchem-2673	59	4	-	-	PUNCT
eurjchem-2673	59	5	ium	ium	NOUN
eurjchem-2673	59	6	picrate	picrate	NOUN
eurjchem-2673	59	7	(	(	PUNCT
eurjchem-2673	59	8	2	2	NUM
eurjchem-2673	59	9	-	-	PUNCT
eurjchem-2673	59	10	pyrtppc	pyrtppc	NOUN
eurjchem-2673	59	11	):	):	PUNCT
eurjchem-2673	59	12	color	color	NOUN
eurjchem-2673	59	13	:	:	PUNCT
eurjchem-2673	59	14	reddish	reddish	ADJ
eurjchem-2673	59	15	.	.	PUNCT
eurjchem-2673	60	1	yield	yield	NOUN
eurjchem-2673	60	2	:	:	PUNCT
eurjchem-2673	60	3	78	78	NUM
eurjchem-2673	60	4	%	%	NOUN
eurjchem-2673	60	5	.	.	PUNCT
eurjchem-2673	61	1	m.p	m.p	PROPN
eurjchem-2673	61	2	.	.	PROPN
eurjchem-2673	61	3	:	:	PUNCT
eurjchem-2673	62	1	157	157	NUM
eurjchem-2673	62	2	-	-	SYM
eurjchem-2673	62	3	158	158	NUM
eurjchem-2673	62	4	°	°	SYM
eurjchem-2673	62	5	c	c	NOUN
eurjchem-2673	62	6	.	.	PUNCT
eurjchem-2673	63	1	ft	ft	PROPN
eurjchem-2673	63	2	-	-	PUNCT
eurjchem-2673	63	3	ir	ir	PROPN
eurjchem-2673	63	4	(	(	PUNCT
eurjchem-2673	63	5	ν	ν	PROPN
eurjchem-2673	63	6	,	,	PUNCT
eurjchem-2673	63	7	cm-1	cm-1	NUM
eurjchem-2673	63	8	):	):	PUNCT
eurjchem-2673	63	9	3472	3472	NUM
eurjchem-2673	63	10	,	,	PUNCT
eurjchem-2673	63	11	3442	3442	NUM
eurjchem-2673	63	12	,	,	PUNCT
eurjchem-2673	63	13	3369	3369	NUM
eurjchem-2673	63	14	,	,	PUNCT
eurjchem-2673	63	15	3214	3214	NUM
eurjchem-2673	63	16	,	,	PUNCT
eurjchem-2673	63	17	3097	3097	NUM
eurjchem-2673	63	18	,	,	PUNCT
eurjchem-2673	63	19	1636	1636	NUM
eurjchem-2673	63	20	,	,	PUNCT
eurjchem-2673	63	21	1598	1598	NUM
eurjchem-2673	63	22	,	,	PUNCT
eurjchem-2673	63	23	1564	1564	NUM
eurjchem-2673	63	24	,	,	PUNCT
eurjchem-2673	63	25	1471	1471	NUM
eurjchem-2673	63	26	,	,	PUNCT
eurjchem-2673	63	27	1422	1422	NUM
eurjchem-2673	63	28	,	,	PUNCT
eurjchem-2673	63	29	1385	1385	NUM
eurjchem-2673	63	30	,	,	PUNCT
eurjchem-2673	63	31	1334	1334	NUM
eurjchem-2673	63	32	,	,	PUNCT
eurjchem-2673	63	33	1316	1316	NUM
eurjchem-2673	63	34	,	,	PUNCT
eurjchem-2673	63	35	1246	1246	NUM
eurjchem-2673	63	36	,	,	PUNCT
eurjchem-2673	63	37	1153	1153	NUM
eurjchem-2673	63	38	,	,	PUNCT
eurjchem-2673	63	39	1071	1071	NUM
eurjchem-2673	63	40	,	,	PUNCT
eurjchem-2673	63	41	1067	1067	NUM
eurjchem-2673	63	42	,	,	PUNCT
eurjchem-2673	63	43	981	981	NUM
eurjchem-2673	63	44	,	,	PUNCT
eurjchem-2673	63	45	928	928	NUM
eurjchem-2673	63	46	,	,	PUNCT
eurjchem-2673	63	47	908	908	NUM
eurjchem-2673	63	48	,	,	PUNCT
eurjchem-2673	63	49	823	823	NUM
eurjchem-2673	63	50	,	,	PUNCT
eurjchem-2673	63	51	772	772	NUM
eurjchem-2673	63	52	,	,	PUNCT
eurjchem-2673	63	53	701	701	NUM
eurjchem-2673	63	54	.	.	NOUN
eurjchem-2673	63	55	1h	1h	NUM
eurjchem-2673	63	56	nmr	nmr	NOUN
eurjchem-2673	63	57	(	(	PUNCT
eurjchem-2673	63	58	400	400	NUM
eurjchem-2673	63	59	mhz	mhz	NOUN
eurjchem-2673	63	60	,	,	PUNCT
eurjchem-2673	63	61	cdcl3	cdcl3	PROPN
eurjchem-2673	63	62	,	,	PUNCT
eurjchem-2673	63	63	δ	δ	PROPN
eurjchem-2673	63	64	,	,	PUNCT
eurjchem-2673	63	65	ppm	ppm	NUM
eurjchem-2673	63	66	):	):	PUNCT
eurjchem-2673	63	67	14.07	14.07	NUM
eurjchem-2673	63	68	(	(	PUNCT
eurjchem-2673	63	69	brs	brs	PROPN
eurjchem-2673	63	70	,	,	PUNCT
eurjchem-2673	63	71	1h	1h	NUM
eurjchem-2673	63	72	,	,	PUNCT
eurjchem-2673	63	73	nh+	nh+	NOUN
eurjchem-2673	63	74	)	)	PUNCT
eurjchem-2673	63	75	,	,	PUNCT
eurjchem-2673	63	76	7.71	7.71	NUM
eurjchem-2673	63	77	,	,	PUNCT
eurjchem-2673	63	78	7.70	7.70	NUM
eurjchem-2673	63	79	,	,	PUNCT
eurjchem-2673	63	80	7.68	7.68	NUM
eurjchem-2673	63	81	,	,	PUNCT
eurjchem-2673	63	82	7.59	7.59	NUM
eurjchem-2673	63	83	,	,	PUNCT
eurjchem-2673	63	84	7.46	7.46	NUM
eurjchem-2673	63	85	,	,	PUNCT
eurjchem-2673	63	86	7.44	7.44	NUM
eurjchem-2673	63	87	,	,	PUNCT
eurjchem-2673	63	88	7.42	7.42	NUM
eurjchem-2673	63	89	,	,	PUNCT
eurjchem-2673	63	90	7.33	7.33	NUM
eurjchem-2673	63	91	,	,	PUNCT
eurjchem-2673	63	92	6.86	6.86	NUM
eurjchem-2673	63	93	,	,	PUNCT
eurjchem-2673	63	94	6.84	6.84	NUM
eurjchem-2673	63	95	(	(	PUNCT
eurjchem-2673	63	96	10	10	NUM
eurjchem-2673	63	97	h	h	NOUN
eurjchem-2673	63	98	,	,	PUNCT
eurjchem-2673	63	99	arh	arh	ADJ
eurjchem-2673	63	100	)	)	PUNCT
eurjchem-2673	63	101	.	.	PUNCT
eurjchem-2673	64	1	13c	13c	NOUN
eurjchem-2673	64	2	nmr	nmr	NOUN
eurjchem-2673	64	3	(	(	PUNCT
eurjchem-2673	64	4	100	100	NUM
eurjchem-2673	64	5	mhz	mhz	NOUN
eurjchem-2673	64	6	,	,	PUNCT
eurjchem-2673	64	7	cdcl3	cdcl3	PROPN
eurjchem-2673	64	8	,	,	PUNCT
eurjchem-2673	64	9	δ	δ	PROPN
eurjchem-2673	64	10	,	,	PUNCT
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eurjchem-2673	64	12	):	):	PUNCT
eurjchem-2673	64	13	176.45	176.45	NUM
eurjchem-2673	64	14	(	(	PUNCT
eurjchem-2673	64	15	nh	nh	NOUN
eurjchem-2673	64	16	=	=	ADJ
eurjchem-2673	64	17	c	c	PROPN
eurjchem-2673	64	18	-	-	PUNCT
eurjchem-2673	64	19	s	s	NOUN
eurjchem-2673	64	20	)	)	PUNCT
eurjchem-2673	64	21	,	,	PUNCT
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eurjchem-2673	64	23	(	(	PUNCT
eurjchem-2673	64	24	c	c	NOUN
eurjchem-2673	64	25	-	-	PUNCT
eurjchem-2673	64	26	ophenoxy	ophenoxy	ADJ
eurjchem-2673	64	27	)	)	PUNCT
eurjchem-2673	64	28	,	,	PUNCT
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eurjchem-2673	64	30	(	(	PUNCT
eurjchem-2673	64	31	n	n	CCONJ
eurjchem-2673	64	32	=	=	SYM
eurjchem-2673	64	33	c	c	NOUN
eurjchem-2673	64	34	-	-	PUNCT
eurjchem-2673	64	35	s	s	NOUN
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eurjchem-2673	64	37	,	,	PUNCT
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eurjchem-2673	64	39	,	,	PUNCT
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eurjchem-2673	64	41	,	,	PUNCT
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eurjchem-2673	64	43	(	(	PUNCT
eurjchem-2673	64	44	cphenoxy	cphenoxy	PROPN
eurjchem-2673	64	45	)	)	PUNCT
eurjchem-2673	64	46	,	,	PUNCT
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eurjchem-2673	64	48	,	,	PUNCT
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eurjchem-2673	64	50	,	,	PUNCT
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eurjchem-2673	64	52	,	,	PUNCT
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eurjchem-2673	64	54	(	(	PUNCT
eurjchem-2673	64	55	cprydinyl	cprydinyl	NOUN
eurjchem-2673	64	56	)	)	PUNCT
eurjchem-2673	64	57	.	.	PUNCT
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eurjchem-2673	65	3	calcd	calcd	NOUN
eurjchem-2673	65	4	.	.	PUNCT
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eurjchem-2673	66	4	c	c	X
eurjchem-2673	66	5	,	,	PUNCT
eurjchem-2673	66	6	46.05	46.05	NUM
eurjchem-2673	66	7	;	;	PUNCT
eurjchem-2673	66	8	h	h	NOUN
eurjchem-2673	66	9	,	,	PUNCT
eurjchem-2673	66	10	2.66	2.66	NUM
eurjchem-2673	66	11	;	;	PUNCT
eurjchem-2673	66	12	n	n	CCONJ
eurjchem-2673	66	13	,	,	PUNCT
eurjchem-2673	66	14	16.78	16.78	NUM
eurjchem-2673	66	15	;	;	PUNCT
eurjchem-2673	66	16	s	s	X
eurjchem-2673	66	17	,	,	PUNCT
eurjchem-2673	66	18	7.68	7.68	NUM
eurjchem-2673	66	19	;	;	PUNCT
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eurjchem-2673	66	21	:	:	PUNCT
eurjchem-2673	66	22	c	c	X
eurjchem-2673	66	23	,	,	PUNCT
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eurjchem-2673	66	25	;	;	PUNCT
eurjchem-2673	66	26	h	h	NOUN
eurjchem-2673	66	27	,	,	PUNCT
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eurjchem-2673	66	29	;	;	PUNCT
eurjchem-2673	66	30	n	n	CCONJ
eurjchem-2673	66	31	,	,	PUNCT
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eurjchem-2673	66	33	;	;	PUNCT
eurjchem-2673	66	34	s	s	NOUN
eurjchem-2673	66	35	,	,	PUNCT
eurjchem-2673	66	36	7.65	7.65	NUM
eurjchem-2673	66	37	%	%	NOUN
eurjchem-2673	66	38	.	.	PUNCT
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eurjchem-2673	67	2	.	.	PUNCT
eurjchem-2673	68	1	x	x	X
eurjchem-2673	68	2	-	-	NOUN
eurjchem-2673	68	3	ray	ray	NOUN
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eurjchem-2673	68	5	x	x	NOUN
eurjchem-2673	68	6	-	-	NOUN
eurjchem-2673	68	7	ray	ray	NOUN
eurjchem-2673	68	8	diffraction	diffraction	NOUN
eurjchem-2673	68	9	data	datum	NOUN
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eurjchem-2673	68	11	a	a	DET
eurjchem-2673	68	12	single	single	ADJ
eurjchem-2673	68	13	crystal	crystal	NOUN
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eurjchem-2673	68	15	collected	collect	VERB
eurjchem-2673	68	16	using	use	VERB
eurjchem-2673	68	17	mokα	mokα	ADJ
eurjchem-2673	68	18	radiation	radiation	NOUN
eurjchem-2673	68	19	at	at	ADP
eurjchem-2673	68	20	a	a	DET
eurjchem-2673	68	21	wavelength	wavelength	NOUN
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eurjchem-2673	68	23	0.71073	0.71073	NUM
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eurjchem-2673	68	25	at	at	ADP
eurjchem-2673	68	26	a	a	DET
eurjchem-2673	68	27	temperature	temperature	NOUN
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eurjchem-2673	68	29	273(2	273(2	NUM
eurjchem-2673	68	30	)	)	PUNCT
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eurjchem-2673	69	2	structure	structure	NOUN
eurjchem-2673	69	3	was	be	AUX
eurjchem-2673	69	4	determined	determine	VERB
eurjchem-2673	69	5	using	use	VERB
eurjchem-2673	69	6	shelxs-97	shelxs-97	PROPN
eurjchem-2673	69	7	and	and	CCONJ
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eurjchem-2673	69	9	using	use	VERB
eurjchem-2673	69	10	shelxl-97	shelxl-97	PROPN
eurjchem-2673	69	11	least	least	ADJ
eurjchem-2673	69	12	squares	square	NOUN
eurjchem-2673	69	13	on	on	ADP
eurjchem-2673	69	14	f2	f2	PROPN
eurjchem-2673	69	15	[	[	X
eurjchem-2673	69	16	25	25	NUM
eurjchem-2673	69	17	]	]	PUNCT
eurjchem-2673	69	18	.	.	PUNCT
eurjchem-2673	70	1	absorption	absorption	NOUN
eurjchem-2673	70	2	correction	correction	NOUN
eurjchem-2673	70	3	was	be	AUX
eurjchem-2673	70	4	performed	perform	VERB
eurjchem-2673	70	5	using	use	VERB
eurjchem-2673	70	6	the	the	DET
eurjchem-2673	70	7	multiscan	multiscan	ADJ
eurjchem-2673	70	8	method	method	NOUN
eurjchem-2673	70	9	.	.	PUNCT
eurjchem-2673	71	1	these	these	DET
eurjchem-2673	71	2	data	datum	NOUN
eurjchem-2673	71	3	are	be	AUX
eurjchem-2673	71	4	available	available	ADJ
eurjchem-2673	71	5	free	free	ADJ
eurjchem-2673	71	6	of	of	ADP
eurjchem-2673	71	7	charge	charge	NOUN
eurjchem-2673	71	8	from	from	ADP
eurjchem-2673	71	9	the	the	DET
eurjchem-2673	71	10	cambridge	cambridge	PROPN
eurjchem-2673	71	11	crystallographic	crystallographic	PROPN
eurjchem-2673	71	12	data	data	PROPN
eurjchem-2673	71	13	center	center	NOUN
eurjchem-2673	71	14	at	at	ADP
eurjchem-2673	71	15	www.ccdc.cam.ac.uk/data_request/cif	www.ccdc.cam.ac.uk/data_request/cif	NOUN
eurjchem-2673	71	16	.	.	PUNCT
eurjchem-2673	72	1	http://www.ccdc.cam.ac.uk/data_request/cif	http://www.ccdc.cam.ac.uk/data_request/cif	X
eurjchem-2673	72	2	aydin	aydin	NOUN
eurjchem-2673	72	3	and	and	CCONJ
eurjchem-2673	72	4	kiraz	kiraz	PROPN
eurjchem-2673	72	5	/	/	SYM
eurjchem-2673	72	6	european	european	PROPN
eurjchem-2673	72	7	journal	journal	PROPN
eurjchem-2673	72	8	of	of	ADP
eurjchem-2673	72	9	chemistry	chemistry	NOUN
eurjchem-2673	72	10	16	16	NUM
eurjchem-2673	72	11	(	(	PUNCT
eurjchem-2673	72	12	2	2	NUM
eurjchem-2673	72	13	)	)	PUNCT
eurjchem-2673	72	14	(	(	PUNCT
eurjchem-2673	72	15	2025	2025	NUM
eurjchem-2673	72	16	)	)	PUNCT
eurjchem-2673	72	17	117	117	NUM
eurjchem-2673	72	18	-	-	SYM
eurjchem-2673	72	19	128	128	NUM
eurjchem-2673	72	20	119	119	NUM
eurjchem-2673	72	21	2025	2025	NUM
eurjchem-2673	72	22	–	–	PUNCT
eurjchem-2673	72	23	european	european	ADJ
eurjchem-2673	72	24	journal	journal	NOUN
eurjchem-2673	72	25	of	of	ADP
eurjchem-2673	72	26	chemistry	chemistry	NOUN
eurjchem-2673	72	27	–	–	PUNCT
eurjchem-2673	72	28	cc	cc	NOUN
eurjchem-2673	72	29	by	by	ADP
eurjchem-2673	72	30	nc	nc	PROPN
eurjchem-2673	72	31	–	–	PUNCT
eurjchem-2673	72	32	doi	doi	NOUN
eurjchem-2673	72	33	:	:	PUNCT
eurjchem-2673	72	34	10.5155	10.5155	NUM
eurjchem-2673	72	35	/	/	SYM
eurjchem-2673	72	36	eurjchem.16.2.117	eurjchem.16.2.117	VERB
eurjchem-2673	72	37	-	-	SYM
eurjchem-2673	72	38	128.2673	128.2673	NUM
eurjchem-2673	72	39	table	table	NOUN
eurjchem-2673	72	40	1	1	NUM
eurjchem-2673	72	41	.	.	PUNCT
eurjchem-2673	73	1	crystal	crystal	NOUN
eurjchem-2673	73	2	data	data	PROPN
eurjchem-2673	73	3	,	,	PUNCT
eurjchem-2673	73	4	data	data	NOUN
eurjchem-2673	73	5	collection	collection	NOUN
eurjchem-2673	73	6	,	,	PUNCT
eurjchem-2673	73	7	and	and	CCONJ
eurjchem-2673	73	8	refinement	refinement	NOUN
eurjchem-2673	73	9	parameters	parameter	NOUN
eurjchem-2673	73	10	for	for	ADP
eurjchem-2673	73	11	the	the	DET
eurjchem-2673	73	12	title	title	NOUN
eurjchem-2673	73	13	compound	compound	NOUN
eurjchem-2673	73	14	,	,	PUNCT
eurjchem-2673	73	15	2	2	NUM
eurjchem-2673	73	16	-	-	PUNCT
eurjchem-2673	73	17	pyrtppc	pyrtppc	NOUN
eurjchem-2673	73	18	.	.	PUNCT
eurjchem-2673	74	1	empirical	empirical	ADJ
eurjchem-2673	74	2	formula	formula	NOUN
eurjchem-2673	74	3	c16h11n5o7s	c16h11n5o7s	NOUN
eurjchem-2673	74	4	formula	formula	NOUN
eurjchem-2673	74	5	weight	weight	NOUN
eurjchem-2673	74	6	(	(	PUNCT
eurjchem-2673	74	7	g	g	NOUN
eurjchem-2673	74	8	/	/	SYM
eurjchem-2673	74	9	mol	mol	NOUN
eurjchem-2673	74	10	)	)	PUNCT
eurjchem-2673	74	11	417.36	417.36	NUM
eurjchem-2673	74	12	temperature	temperature	NOUN
eurjchem-2673	74	13	(	(	PUNCT
eurjchem-2673	74	14	k	k	NOUN
eurjchem-2673	74	15	)	)	PUNCT
eurjchem-2673	74	16	273(2	273(2	NUM
eurjchem-2673	74	17	)	)	PUNCT
eurjchem-2673	74	18	crystal	crystal	NOUN
eurjchem-2673	74	19	system	system	NOUN
eurjchem-2673	74	20	monoclinic	monoclinic	ADJ
eurjchem-2673	74	21	space	space	NOUN
eurjchem-2673	74	22	group	group	NOUN
eurjchem-2673	74	23	p21	p21	PROPN
eurjchem-2673	74	24	/	/	SYM
eurjchem-2673	74	25	c	c	PROPN
eurjchem-2673	74	26	a	a	PRON
eurjchem-2673	74	27	(	(	PUNCT
eurjchem-2673	74	28	å	å	NOUN
eurjchem-2673	74	29	)	)	PUNCT
eurjchem-2673	74	30	16.876(4	16.876(4	NOUN
eurjchem-2673	74	31	)	)	PUNCT
eurjchem-2673	74	32	b	b	PROPN
eurjchem-2673	74	33	(	(	PUNCT
eurjchem-2673	74	34	å	å	NOUN
eurjchem-2673	74	35	)	)	PUNCT
eurjchem-2673	74	36	7.6675(18	7.6675(18	NUM
eurjchem-2673	74	37	)	)	PUNCT
eurjchem-2673	75	1	c	c	NOUN
eurjchem-2673	75	2	(	(	PUNCT
eurjchem-2673	75	3	å	å	NOUN
eurjchem-2673	75	4	)	)	PUNCT
eurjchem-2673	75	5	13.846(3	13.846(3	NOUN
eurjchem-2673	75	6	)	)	PUNCT
eurjchem-2673	76	1	α	α	PROPN
eurjchem-2673	76	2	(	(	PUNCT
eurjchem-2673	76	3	°	°	PROPN
eurjchem-2673	76	4	)	)	PUNCT
eurjchem-2673	76	5	90	90	NUM
eurjchem-2673	76	6	β	β	X
eurjchem-2673	76	7	(	(	PUNCT
eurjchem-2673	76	8	°	°	NOUN
eurjchem-2673	76	9	)	)	PUNCT
eurjchem-2673	76	10	99.543(7	99.543(7	NOUN
eurjchem-2673	76	11	)	)	PUNCT
eurjchem-2673	76	12	γ	γ	PROPN
eurjchem-2673	76	13	(	(	PUNCT
eurjchem-2673	76	14	°	°	PROPN
eurjchem-2673	76	15	)	)	PUNCT
eurjchem-2673	76	16	90	90	NUM
eurjchem-2673	76	17	volume	volume	NOUN
eurjchem-2673	76	18	(	(	PUNCT
eurjchem-2673	76	19	å3	å3	PROPN
eurjchem-2673	76	20	)	)	PUNCT
eurjchem-2673	76	21	1766.9(7	1766.9(7	NOUN
eurjchem-2673	76	22	)	)	PUNCT
eurjchem-2673	76	23	z	z	NOUN
eurjchem-2673	76	24	4	4	NUM
eurjchem-2673	76	25	ρcalc	ρcalc	NOUN
eurjchem-2673	76	26	(	(	PUNCT
eurjchem-2673	76	27	g	g	NOUN
eurjchem-2673	76	28	/	/	SYM
eurjchem-2673	76	29	cm3	cm3	NOUN
eurjchem-2673	76	30	)	)	PUNCT
eurjchem-2673	76	31	1.569	1.569	NUM
eurjchem-2673	76	32	μ	μ	NOUN
eurjchem-2673	76	33	(	(	PUNCT
eurjchem-2673	76	34	mm-1	mm-1	NOUN
eurjchem-2673	76	35	)	)	PUNCT
eurjchem-2673	76	36	0.237	0.237	NUM
eurjchem-2673	76	37	f	f	PROPN
eurjchem-2673	76	38	(	(	PUNCT
eurjchem-2673	76	39	000	000	NUM
eurjchem-2673	76	40	)	)	PUNCT
eurjchem-2673	76	41	856.0	856.0	NUM
eurjchem-2673	76	42	crystal	crystal	NOUN
eurjchem-2673	76	43	size	size	NOUN
eurjchem-2673	76	44	(	(	PUNCT
eurjchem-2673	76	45	mm3	mm3	PROPN
eurjchem-2673	76	46	)	)	PUNCT
eurjchem-2673	76	47	0.4	0.4	NUM
eurjchem-2673	76	48	×	×	NOUN
eurjchem-2673	76	49	0.27	0.27	NUM
eurjchem-2673	76	50	×	×	NOUN
eurjchem-2673	76	51	0.18	0.18	NUM
eurjchem-2673	76	52	radiation	radiation	NOUN
eurjchem-2673	76	53	mokα	mokα	NOUN
eurjchem-2673	76	54	(	(	PUNCT
eurjchem-2673	76	55	λ	λ	X
eurjchem-2673	76	56	=	=	SYM
eurjchem-2673	76	57	0.71073	0.71073	NUM
eurjchem-2673	76	58	)	)	PUNCT
eurjchem-2673	76	59	2θ	2θ	NUM
eurjchem-2673	76	60	range	range	VERB
eurjchem-2673	76	61	for	for	ADP
eurjchem-2673	76	62	data	data	NOUN
eurjchem-2673	76	63	collection	collection	NOUN
eurjchem-2673	76	64	(	(	PUNCT
eurjchem-2673	76	65	°	°	ADP
eurjchem-2673	76	66	)	)	PUNCT
eurjchem-2673	76	67	2.4	2.4	NUM
eurjchem-2673	76	68	to	to	PART
eurjchem-2673	76	69	53.48	53.48	NUM
eurjchem-2673	76	70	index	index	NOUN
eurjchem-2673	76	71	ranges	range	VERB
eurjchem-2673	76	72	-21	-21	NUM
eurjchem-2673	76	73	≤	≤	NUM
eurjchem-2673	76	74	h	h	NOUN
eurjchem-2673	76	75	≤	≤	NUM
eurjchem-2673	76	76	21	21	NUM
eurjchem-2673	76	77	,	,	PUNCT
eurjchem-2673	76	78	-9	-9	PROPN
eurjchem-2673	76	79	≤	≤	NUM
eurjchem-2673	76	80	k	k	NOUN
eurjchem-2673	76	81	≤	≤	NUM
eurjchem-2673	76	82	9	9	NUM
eurjchem-2673	76	83	,	,	PUNCT
eurjchem-2673	76	84	-17	-17	PUNCT
eurjchem-2673	76	85	≤	≤	NUM
eurjchem-2673	76	86	l	l	NOUN
eurjchem-2673	76	87	≤	≤	NUM
eurjchem-2673	76	88	17	17	NUM
eurjchem-2673	76	89	reflections	reflection	NOUN
eurjchem-2673	76	90	collected	collect	VERB
eurjchem-2673	76	91	30487	30487	NUM
eurjchem-2673	76	92	independent	independent	ADJ
eurjchem-2673	76	93	reflections	reflection	NOUN
eurjchem-2673	76	94	3741	3741	NUM
eurjchem-2673	77	1	[	[	X
eurjchem-2673	77	2	rint	rint	X
eurjchem-2673	77	3	=	=	SYM
eurjchem-2673	77	4	0.0387	0.0387	NUM
eurjchem-2673	77	5	,	,	PUNCT
eurjchem-2673	77	6	rsigma	rsigma	ADJ
eurjchem-2673	77	7	=	=	SYM
eurjchem-2673	77	8	0.0313	0.0313	NUM
eurjchem-2673	77	9	]	]	PUNCT
eurjchem-2673	77	10	data	data	NOUN
eurjchem-2673	77	11	/	/	SYM
eurjchem-2673	77	12	restraints	restraint	NOUN
eurjchem-2673	77	13	/	/	SYM
eurjchem-2673	77	14	parameters	parameter	NOUN
eurjchem-2673	77	15	3741/0/306	3741/0/306	NUM
eurjchem-2673	77	16	goodness	goodness	NOUN
eurjchem-2673	77	17	-	-	PUNCT
eurjchem-2673	77	18	of	of	ADP
eurjchem-2673	77	19	-	-	PUNCT
eurjchem-2673	77	20	fit	fit	NOUN
eurjchem-2673	77	21	on	on	ADP
eurjchem-2673	77	22	f2	f2	PROPN
eurjchem-2673	77	23	1.018	1.018	NUM
eurjchem-2673	77	24	final	final	ADJ
eurjchem-2673	77	25	r	r	NOUN
eurjchem-2673	77	26	indexes	index	NOUN
eurjchem-2673	77	27	[	[	X
eurjchem-2673	77	28	i≥2σ(i	i≥2σ(i	NOUN
eurjchem-2673	77	29	)	)	PUNCT
eurjchem-2673	77	30	]	]	PUNCT
eurjchem-2673	78	1	r1	r1	PROPN
eurjchem-2673	78	2	=	=	SYM
eurjchem-2673	78	3	0.0469	0.0469	PROPN
eurjchem-2673	78	4	,	,	PUNCT
eurjchem-2673	78	5	wr2	wr2	PROPN
eurjchem-2673	78	6	=	=	PROPN
eurjchem-2673	78	7	0.1039	0.1039	NUM
eurjchem-2673	78	8	final	final	ADJ
eurjchem-2673	78	9	r	r	NOUN
eurjchem-2673	78	10	indexes	index	NOUN
eurjchem-2673	78	11	[	[	X
eurjchem-2673	78	12	all	all	DET
eurjchem-2673	78	13	data	datum	NOUN
eurjchem-2673	78	14	]	]	PUNCT
eurjchem-2673	78	15	r1	r1	PROPN
eurjchem-2673	78	16	=	=	SYM
eurjchem-2673	78	17	0.0768	0.0768	PROPN
eurjchem-2673	78	18	,	,	PUNCT
eurjchem-2673	78	19	wr2	wr2	PROPN
eurjchem-2673	78	20	=	=	NOUN
eurjchem-2673	78	21	0.1221	0.1221	NUM
eurjchem-2673	78	22	largest	large	ADJ
eurjchem-2673	78	23	diff	diff	NOUN
eurjchem-2673	78	24	.	.	PUNCT
eurjchem-2673	78	25	peak	peak	PROPN
eurjchem-2673	78	26	/	/	SYM
eurjchem-2673	78	27	hole	hole	NOUN
eurjchem-2673	78	28	(	(	PUNCT
eurjchem-2673	78	29	e.å-3	e.å-3	PROPN
eurjchem-2673	78	30	)	)	PUNCT
eurjchem-2673	78	31	0.33/-0.28	0.33/-0.28	NOUN
eurjchem-2673	78	32	measurement	measurement	NOUN
eurjchem-2673	78	33	bruker	bruker	PROPN
eurjchem-2673	78	34	kappa	kappa	PROPN
eurjchem-2673	78	35	apexii	apexii	PROPN
eurjchem-2673	78	36	ccd	ccd	PROPN
eurjchem-2673	78	37	programs	program	NOUN
eurjchem-2673	78	38	system	system	VERB
eurjchem-2673	78	39	shelxtl-97	shelxtl-97	PROPN
eurjchem-2673	78	40	structure	structure	NOUN
eurjchem-2673	78	41	determination	determination	NOUN
eurjchem-2673	78	42	shelxs-97	shelxs-97	PROPN
eurjchem-2673	78	43	ccdc	ccdc	PROPN
eurjchem-2673	78	44	deposition	deposition	NOUN
eurjchem-2673	78	45	number	number	NOUN
eurjchem-2673	78	46	2335699	2335699	NUM
eurjchem-2673	78	47	2.4	2.4	NUM
eurjchem-2673	78	48	.	.	PUNCT
eurjchem-2673	79	1	computational	computational	ADJ
eurjchem-2673	79	2	studies	study	NOUN
eurjchem-2673	79	3	quantum	quantum	ADJ
eurjchem-2673	79	4	chemical	chemical	NOUN
eurjchem-2673	79	5	calculations	calculation	NOUN
eurjchem-2673	79	6	were	be	AUX
eurjchem-2673	79	7	carried	carry	VERB
eurjchem-2673	79	8	out	out	ADP
eurjchem-2673	79	9	in	in	ADP
eurjchem-2673	79	10	the	the	DET
eurjchem-2673	79	11	neutral	neutral	ADJ
eurjchem-2673	79	12	ground	ground	NOUN
eurjchem-2673	79	13	state	state	NOUN
eurjchem-2673	79	14	of	of	ADP
eurjchem-2673	79	15	the	the	DET
eurjchem-2673	79	16	title	title	NOUN
eurjchem-2673	79	17	compound	compound	NOUN
eurjchem-2673	79	18	(	(	PUNCT
eurjchem-2673	79	19	charge	charge	NOUN
eurjchem-2673	79	20	:	:	PUNCT
eurjchem-2673	79	21	0	0	NUM
eurjchem-2673	79	22	,	,	PUNCT
eurjchem-2673	79	23	multiplicity	multiplicity	NOUN
eurjchem-2673	79	24	:	:	PUNCT
eurjchem-2673	79	25	1	1	X
eurjchem-2673	79	26	)	)	PUNCT
eurjchem-2673	79	27	using	use	VERB
eurjchem-2673	79	28	gaussian16	gaussian16	NOUN
eurjchem-2673	79	29	[	[	X
eurjchem-2673	79	30	26	26	NUM
eurjchem-2673	79	31	]	]	PUNCT
eurjchem-2673	79	32	and	and	CCONJ
eurjchem-2673	79	33	gaussview	gaussview	VERB
eurjchem-2673	79	34	6.0	6.0	NUM
eurjchem-2673	79	35	[	[	SYM
eurjchem-2673	79	36	27	27	NUM
eurjchem-2673	79	37	]	]	PUNCT
eurjchem-2673	79	38	.	.	PUNCT
eurjchem-2673	80	1	the	the	DET
eurjchem-2673	80	2	gaussian	gaussian	ADJ
eurjchem-2673	80	3	package	package	NOUN
eurjchem-2673	80	4	is	be	AUX
eurjchem-2673	80	5	a	a	DET
eurjchem-2673	80	6	tool	tool	NOUN
eurjchem-2673	80	7	that	that	PRON
eurjchem-2673	80	8	uses	use	VERB
eurjchem-2673	80	9	model	model	NOUN
eurjchem-2673	80	10	chemistry	chemistry	NOUN
eurjchem-2673	80	11	to	to	PART
eurjchem-2673	80	12	determine	determine	VERB
eurjchem-2673	80	13	the	the	DET
eurjchem-2673	80	14	shapes	shape	NOUN
eurjchem-2673	80	15	and	and	CCONJ
eurjchem-2673	80	16	energies	energy	NOUN
eurjchem-2673	80	17	of	of	ADP
eurjchem-2673	80	18	orbitals	orbital	NOUN
eurjchem-2673	80	19	in	in	ADP
eurjchem-2673	80	20	a	a	DET
eurjchem-2673	80	21	given	give	VERB
eurjchem-2673	80	22	molecule	molecule	NOUN
eurjchem-2673	80	23	.	.	PUNCT
eurjchem-2673	81	1	however	however	ADV
eurjchem-2673	81	2	,	,	PUNCT
eurjchem-2673	81	3	density	density	NOUN
eurjchem-2673	81	4	functional	functional	ADJ
eurjchem-2673	81	5	theory	theory	NOUN
eurjchem-2673	81	6	(	(	PUNCT
eurjchem-2673	81	7	dft	dft	NOUN
eurjchem-2673	81	8	)	)	PUNCT
eurjchem-2673	81	9	methods	method	NOUN
eurjchem-2673	81	10	describe	describe	VERB
eurjchem-2673	81	11	the	the	DET
eurjchem-2673	81	12	interaction	interaction	NOUN
eurjchem-2673	81	13	between	between	ADP
eurjchem-2673	81	14	electrons	electron	NOUN
eurjchem-2673	81	15	and	and	CCONJ
eurjchem-2673	81	16	the	the	DET
eurjchem-2673	81	17	total	total	ADJ
eurjchem-2673	81	18	electron	electron	NOUN
eurjchem-2673	81	19	density	density	NOUN
eurjchem-2673	81	20	.	.	PUNCT
eurjchem-2673	82	1	the	the	DET
eurjchem-2673	82	2	most	most	ADV
eurjchem-2673	82	3	commonly	commonly	ADV
eurjchem-2673	82	4	used	use	VERB
eurjchem-2673	82	5	dft	dft	NOUN
eurjchem-2673	82	6	method	method	NOUN
eurjchem-2673	82	7	is	be	AUX
eurjchem-2673	82	8	the	the	DET
eurjchem-2673	82	9	becke3	becke3	PROPN
eurjchem-2673	82	10	parameter	parameter	NOUN
eurjchem-2673	82	11	,	,	PUNCT
eurjchem-2673	82	12	which	which	PRON
eurjchem-2673	82	13	calculates	calculate	VERB
eurjchem-2673	82	14	the	the	DET
eurjchem-2673	82	15	molecular	molecular	ADJ
eurjchem-2673	82	16	energy	energy	NOUN
eurjchem-2673	82	17	for	for	ADP
eurjchem-2673	82	18	overlapping	overlap	VERB
eurjchem-2673	82	19	orbitals	orbital	NOUN
eurjchem-2673	82	20	.	.	PUNCT
eurjchem-2673	83	1	basis	basis	NOUN
eurjchem-2673	83	2	sets	set	NOUN
eurjchem-2673	83	3	are	be	AUX
eurjchem-2673	83	4	used	use	VERB
eurjchem-2673	83	5	to	to	PART
eurjchem-2673	83	6	increase	increase	VERB
eurjchem-2673	83	7	the	the	DET
eurjchem-2673	83	8	number	number	NOUN
eurjchem-2673	83	9	of	of	ADP
eurjchem-2673	83	10	basis	basis	NOUN
eurjchem-2673	83	11	functions	function	NOUN
eurjchem-2673	83	12	per	per	ADP
eurjchem-2673	83	13	atom	atom	NOUN
eurjchem-2673	83	14	.	.	PUNCT
eurjchem-2673	84	1	the	the	DET
eurjchem-2673	84	2	split	split	ADJ
eurjchem-2673	84	3	-	-	PUNCT
eurjchem-2673	84	4	valence	valence	NOUN
eurjchem-2673	84	5	triple	triple	ADJ
eurjchem-2673	84	6	-	-	PUNCT
eurjchem-2673	84	7	zeta	zeta	NOUN
eurjchem-2673	84	8	basis	basis	NOUN
eurjchem-2673	84	9	set	set	VERB
eurjchem-2673	84	10	6	6	NUM
eurjchem-2673	84	11	-	-	SYM
eurjchem-2673	84	12	311g(d	311g(d	NUM
eurjchem-2673	84	13	,	,	PUNCT
eurjchem-2673	84	14	p	p	NOUN
eurjchem-2673	84	15	)	)	PUNCT
eurjchem-2673	84	16	is	be	AUX
eurjchem-2673	84	17	a	a	DET
eurjchem-2673	84	18	popular	popular	ADJ
eurjchem-2673	84	19	choice	choice	NOUN
eurjchem-2673	84	20	because	because	SCONJ
eurjchem-2673	84	21	it	it	PRON
eurjchem-2673	84	22	allows	allow	VERB
eurjchem-2673	84	23	orbitals	orbital	NOUN
eurjchem-2673	84	24	to	to	PART
eurjchem-2673	84	25	change	change	VERB
eurjchem-2673	84	26	size	size	NOUN
eurjchem-2673	84	27	but	but	CCONJ
eurjchem-2673	84	28	not	not	PART
eurjchem-2673	84	29	shape	shape	NOUN
eurjchem-2673	84	30	.	.	PUNCT
eurjchem-2673	85	1	this	this	DET
eurjchem-2673	85	2	basis	basis	NOUN
eurjchem-2673	85	3	set	set	NOUN
eurjchem-2673	85	4	has	have	VERB
eurjchem-2673	85	5	various	various	ADJ
eurjchem-2673	85	6	origins	origin	NOUN
eurjchem-2673	85	7	and	and	CCONJ
eurjchem-2673	85	8	is	be	AUX
eurjchem-2673	85	9	recommended	recommend	VERB
eurjchem-2673	85	10	by	by	ADP
eurjchem-2673	85	11	foresman	foresman	NOUN
eurjchem-2673	85	12	and	and	CCONJ
eurjchem-2673	85	13	frisch	frisch	VERB
eurjchem-2673	85	14	for	for	ADP
eurjchem-2673	85	15	atoms	atom	NOUN
eurjchem-2673	85	16	in	in	ADP
eurjchem-2673	85	17	the	the	DET
eurjchem-2673	85	18	periodic	periodic	ADJ
eurjchem-2673	85	19	table	table	NOUN
eurjchem-2673	85	20	from	from	ADP
eurjchem-2673	85	21	hydrogen	hydrogen	NOUN
eurjchem-2673	85	22	to	to	PART
eurjchem-2673	85	23	bromine	bromine	VERB
eurjchem-2673	85	24	[	[	X
eurjchem-2673	85	25	28	28	NUM
eurjchem-2673	85	26	]	]	PUNCT
eurjchem-2673	85	27	.	.	PUNCT
eurjchem-2673	86	1	for	for	ADP
eurjchem-2673	86	2	modeling	modeling	NOUN
eurjchem-2673	86	3	,	,	PUNCT
eurjchem-2673	86	4	the	the	DET
eurjchem-2673	86	5	initial	initial	ADJ
eurjchem-2673	86	6	guess	guess	NOUN
eurjchem-2673	86	7	of	of	ADP
eurjchem-2673	86	8	picrate	picrate	NOUN
eurjchem-2673	86	9	was	be	AUX
eurjchem-2673	86	10	obtained	obtain	VERB
eurjchem-2673	86	11	first	first	ADV
eurjchem-2673	86	12	from	from	ADP
eurjchem-2673	86	13	the	the	DET
eurjchem-2673	86	14	x	x	NOUN
eurjchem-2673	86	15	-	-	NOUN
eurjchem-2673	86	16	ray	ray	NOUN
eurjchem-2673	86	17	coordinates	coordinate	NOUN
eurjchem-2673	86	18	and	and	CCONJ
eurjchem-2673	86	19	transformed	transform	VERB
eurjchem-2673	86	20	into	into	ADP
eurjchem-2673	86	21	the	the	DET
eurjchem-2673	86	22	z	z	NOUN
eurjchem-2673	86	23	-	-	PUNCT
eurjchem-2673	86	24	matrix	matrix	NOUN
eurjchem-2673	86	25	format	format	NOUN
eurjchem-2673	86	26	with	with	ADP
eurjchem-2673	86	27	the	the	DET
eurjchem-2673	86	28	babel	babel	NOUN
eurjchem-2673	86	29	program	program	NOUN
eurjchem-2673	86	30	[	[	X
eurjchem-2673	86	31	29	29	NUM
eurjchem-2673	86	32	]	]	PUNCT
eurjchem-2673	86	33	;	;	PUNCT
eurjchem-2673	86	34	the	the	DET
eurjchem-2673	86	35	model	model	NOUN
eurjchem-2673	86	36	starting	start	VERB
eurjchem-2673	86	37	geometry	geometry	NOUN
eurjchem-2673	86	38	of	of	ADP
eurjchem-2673	86	39	picrate	picrate	NOUN
eurjchem-2673	86	40	was	be	AUX
eurjchem-2673	86	41	obtained	obtain	VERB
eurjchem-2673	86	42	and	and	CCONJ
eurjchem-2673	86	43	applying	apply	VERB
eurjchem-2673	86	44	ab	ab	PROPN
eurjchem-2673	86	45	initio	initio	NOUN
eurjchem-2673	86	46	optimization	optimization	NOUN
eurjchem-2673	86	47	at	at	ADP
eurjchem-2673	86	48	b3lyp/6311g(d	b3lyp/6311g(d	PROPN
eurjchem-2673	86	49	,	,	PUNCT
eurjchem-2673	86	50	p	p	NOUN
eurjchem-2673	86	51	)	)	PUNCT
eurjchem-2673	86	52	level	level	NOUN
eurjchem-2673	86	53	.	.	PUNCT
eurjchem-2673	87	1	3	3	X
eurjchem-2673	87	2	.	.	NOUN
eurjchem-2673	87	3	results	result	NOUN
eurjchem-2673	87	4	and	and	CCONJ
eurjchem-2673	87	5	discussion	discussion	NOUN
eurjchem-2673	87	6	3.1	3.1	NUM
eurjchem-2673	87	7	.	.	PUNCT
eurjchem-2673	87	8	synthesis	synthesis	NOUN
eurjchem-2673	87	9	aliphatic	aliphatic	ADJ
eurjchem-2673	87	10	and	and	CCONJ
eurjchem-2673	87	11	aromatic	aromatic	ADJ
eurjchem-2673	87	12	amine	amine	ADJ
eurjchem-2673	87	13	picrate	picrate	ADJ
eurjchem-2673	87	14	complexes	complex	NOUN
eurjchem-2673	87	15	are	be	AUX
eurjchem-2673	87	16	generally	generally	ADV
eurjchem-2673	87	17	formed	form	VERB
eurjchem-2673	87	18	from	from	ADP
eurjchem-2673	87	19	the	the	DET
eurjchem-2673	87	20	interactions	interaction	NOUN
eurjchem-2673	87	21	of	of	ADP
eurjchem-2673	87	22	various	various	ADJ
eurjchem-2673	87	23	amine	amine	ADJ
eurjchem-2673	87	24	compounds	compound	NOUN
eurjchem-2673	87	25	with	with	ADP
eurjchem-2673	87	26	picric	picric	ADJ
eurjchem-2673	87	27	acid	acid	NOUN
eurjchem-2673	87	28	.	.	PUNCT
eurjchem-2673	88	1	however	however	ADV
eurjchem-2673	88	2	,	,	PUNCT
eurjchem-2673	88	3	due	due	ADP
eurjchem-2673	88	4	to	to	ADP
eurjchem-2673	88	5	the	the	DET
eurjchem-2673	88	6	difference	difference	NOUN
eurjchem-2673	88	7	in	in	ADP
eurjchem-2673	88	8	lewis	lewis	PROPN
eurjchem-2673	88	9	basic	basic	ADJ
eurjchem-2673	88	10	properties	property	NOUN
eurjchem-2673	88	11	of	of	ADP
eurjchem-2673	88	12	thiols	thiol	NOUN
eurjchem-2673	88	13	and	and	CCONJ
eurjchem-2673	88	14	amines	amine	NOUN
eurjchem-2673	88	15	,	,	PUNCT
eurjchem-2673	88	16	the	the	DET
eurjchem-2673	88	17	proton	proton	NOUN
eurjchem-2673	88	18	transfer	transfer	NOUN
eurjchem-2673	88	19	region	region	NOUN
eurjchem-2673	88	20	in	in	ADP
eurjchem-2673	88	21	picrate	picrate	ADJ
eurjchem-2673	88	22	complexes	complex	NOUN
eurjchem-2673	88	23	changes	change	NOUN
eurjchem-2673	88	24	.	.	PUNCT
eurjchem-2673	89	1	in	in	ADP
eurjchem-2673	89	2	our	our	PRON
eurjchem-2673	89	3	study	study	NOUN
eurjchem-2673	89	4	using	use	VERB
eurjchem-2673	89	5	the	the	DET
eurjchem-2673	89	6	2mercaptopyridine	2mercaptopyridine	NUM
eurjchem-2673	89	7	compound	compound	NOUN
eurjchem-2673	89	8	,	,	PUNCT
eurjchem-2673	89	9	it	it	PRON
eurjchem-2673	89	10	was	be	AUX
eurjchem-2673	89	11	observed	observe	VERB
eurjchem-2673	89	12	that	that	SCONJ
eurjchem-2673	89	13	it	it	PRON
eurjchem-2673	89	14	was	be	AUX
eurjchem-2673	89	15	not	not	PART
eurjchem-2673	89	16	2mercaptopyridinium	2mercaptopyridinium	NUM
eurjchem-2673	89	17	picrate	picrate	ADJ
eurjchem-2673	89	18	(	(	PUNCT
eurjchem-2673	89	19	c5h5ns·c6h3n3o7	c5h5ns·c6h3n3o7	NOUN
eurjchem-2673	89	20	)	)	PUNCT
eurjchem-2673	89	21	but	but	CCONJ
eurjchem-2673	89	22	2(pyridin-2	2(pyridin-2	NUM
eurjchem-2673	89	23	-	-	PUNCT
eurjchem-2673	89	24	ylthio)pyridin-1	ylthio)pyridin-1	NOUN
eurjchem-2673	89	25	-	-	PUNCT
eurjchem-2673	89	26	ium	ium	NOUN
eurjchem-2673	89	27	picrate,(c10h8n2s·c6h3n3o7	picrate,(c10h8n2s·c6h3n3o7	PROPN
eurjchem-2673	89	28	)	)	PUNCT
eurjchem-2673	89	29	was	be	AUX
eurjchem-2673	89	30	formed	form	VERB
eurjchem-2673	89	31	via	via	ADP
eurjchem-2673	89	32	a	a	DET
eurjchem-2673	89	33	different	different	ADJ
eurjchem-2673	89	34	mechanism	mechanism	NOUN
eurjchem-2673	89	35	due	due	ADP
eurjchem-2673	89	36	to	to	ADP
eurjchem-2673	89	37	the	the	DET
eurjchem-2673	89	38	structure	structure	NOUN
eurjchem-2673	89	39	and	and	CCONJ
eurjchem-2673	89	40	region	region	NOUN
eurjchem-2673	89	41	of	of	ADP
eurjchem-2673	89	42	the	the	DET
eurjchem-2673	89	43	proton	proton	NOUN
eurjchem-2673	89	44	transfer	transfer	NOUN
eurjchem-2673	89	45	center	center	NOUN
eurjchem-2673	89	46	.	.	PUNCT
eurjchem-2673	90	1	the	the	DET
eurjchem-2673	90	2	c	c	NOUN
eurjchem-2673	90	3	-	-	PUNCT
eurjchem-2673	90	4	h	h	NOUN
eurjchem-2673	90	5	protons	proton	NOUN
eurjchem-2673	90	6	,	,	PUNCT
eurjchem-2673	90	7	which	which	PRON
eurjchem-2673	90	8	are	be	AUX
eurjchem-2673	90	9	consistent	consistent	ADJ
eurjchem-2673	90	10	with	with	ADP
eurjchem-2673	90	11	the	the	DET
eurjchem-2673	90	12	protons	proton	NOUN
eurjchem-2673	90	13	of	of	ADP
eurjchem-2673	90	14	the	the	DET
eurjchem-2673	90	15	pyridinium	pyridinium	NOUN
eurjchem-2673	90	16	ring	ring	NOUN
eurjchem-2673	90	17	,	,	PUNCT
eurjchem-2673	90	18	resonate	resonate	VERB
eurjchem-2673	90	19	around	around	ADP
eurjchem-2673	90	20	δ	δ	PROPN
eurjchem-2673	90	21	6.84	6.84	NUM
eurjchem-2673	90	22	-	-	SYM
eurjchem-2673	90	23	7.71	7.71	NUM
eurjchem-2673	90	24	ppm	ppm	NOUN
eurjchem-2673	90	25	from	from	ADP
eurjchem-2673	90	26	tms	tms	PROPN
eurjchem-2673	90	27	.	.	PUNCT
eurjchem-2673	91	1	the	the	DET
eurjchem-2673	91	2	n	n	CCONJ
eurjchem-2673	91	3	-	-	PUNCT
eurjchem-2673	91	4	h	h	NOUN
eurjchem-2673	91	5	protons	proton	NOUN
eurjchem-2673	91	6	of	of	ADP
eurjchem-2673	91	7	the	the	DET
eurjchem-2673	91	8	pyridinium	pyridinium	NOUN
eurjchem-2673	91	9	salt	salt	NOUN
eurjchem-2673	91	10	are	be	AUX
eurjchem-2673	91	11	responsible	responsible	ADJ
eurjchem-2673	91	12	for	for	ADP
eurjchem-2673	91	13	the	the	DET
eurjchem-2673	91	14	broad	broad	ADJ
eurjchem-2673	91	15	signal	signal	NOUN
eurjchem-2673	91	16	observed	observe	VERB
eurjchem-2673	91	17	at	at	ADP
eurjchem-2673	91	18	δ	δ	PROPN
eurjchem-2673	91	19	14.07	14.07	NUM
eurjchem-2673	91	20	ppm	ppm	NOUN
eurjchem-2673	91	21	from	from	ADP
eurjchem-2673	91	22	tms	tms	PROPN
eurjchem-2673	91	23	[	[	X
eurjchem-2673	91	24	30	30	NUM
eurjchem-2673	91	25	]	]	PUNCT
eurjchem-2673	91	26	.	.	PUNCT
eurjchem-2673	92	1	the	the	DET
eurjchem-2673	92	2	ipso	ipso	ADJ
eurjchem-2673	92	3	carbon	carbon	NOUN
eurjchem-2673	92	4	(	(	PUNCT
eurjchem-2673	92	5	c19	c19	NOUN
eurjchem-2673	92	6	)	)	PUNCT
eurjchem-2673	92	7	of	of	ADP
eurjchem-2673	92	8	the	the	DET
eurjchem-2673	92	9	picrate	picrate	ADJ
eurjchem-2673	92	10	moiety	moiety	NOUN
eurjchem-2673	92	11	is	be	AUX
eurjchem-2673	92	12	responsible	responsible	ADJ
eurjchem-2673	92	13	for	for	ADP
eurjchem-2673	92	14	the	the	DET
eurjchem-2673	92	15	faint	faint	ADJ
eurjchem-2673	92	16	carbon	carbon	NOUN
eurjchem-2673	92	17	signal	signal	NOUN
eurjchem-2673	92	18	at	at	ADP
eurjchem-2673	92	19	δ	δ	PROPN
eurjchem-2673	92	20	176.45	176.45	NUM
eurjchem-2673	92	21	ppm	ppm	NOUN
eurjchem-2673	92	22	.	.	PUNCT
eurjchem-2673	93	1	the	the	DET
eurjchem-2673	93	2	aromatic	aromatic	ADJ
eurjchem-2673	93	3	carbons	carbon	NOUN
eurjchem-2673	93	4	(	(	PUNCT
eurjchem-2673	93	5	c21	c21	NOUN
eurjchem-2673	93	6	and	and	CCONJ
eurjchem-2673	93	7	c24	c24	PROPN
eurjchem-2673	93	8	)	)	PUNCT
eurjchem-2673	93	9	of	of	ADP
eurjchem-2673	93	10	the	the	DET
eurjchem-2673	93	11	pyridinium	pyridinium	PROPN
eurjchem-2673	93	12	group	group	NOUN
eurjchem-2673	93	13	bonded	bond	VERB
eurjchem-2673	93	14	to	to	ADP
eurjchem-2673	93	15	the	the	DET
eurjchem-2673	93	16	sulfur	sulfur	NOUN
eurjchem-2673	93	17	atom	atom	NOUN
eurjchem-2673	93	18	appear	appear	VERB
eurjchem-2673	93	19	at	at	ADP
eurjchem-2673	93	20	δ	δ	PROPN
eurjchem-2673	93	21	156.10	156.10	NUM
eurjchem-2673	93	22	ppm	ppm	NOUN
eurjchem-2673	93	23	.	.	PUNCT
eurjchem-2673	94	1	at	at	ADP
eurjchem-2673	94	2	δ	δ	PROPN
eurjchem-2673	94	3	137.87	137.87	NUM
eurjchem-2673	94	4	ppm	ppm	NOUN
eurjchem-2673	94	5	,	,	PUNCT
eurjchem-2673	94	6	the	the	DET
eurjchem-2673	94	7	aromatic	aromatic	ADJ
eurjchem-2673	94	8	carbon	carbon	NOUN
eurjchem-2673	94	9	atoms	atom	NOUN
eurjchem-2673	94	10	c17	c17	NOUN
eurjchem-2673	94	11	and	and	CCONJ
eurjchem-2673	94	12	c18	c18	NOUN
eurjchem-2673	94	13	of	of	ADP
eurjchem-2673	94	14	the	the	DET
eurjchem-2673	94	15	same	same	ADJ
eurjchem-2673	94	16	type	type	NOUN
eurjchem-2673	94	17	appear	appear	VERB
eurjchem-2673	94	18	in	in	ADP
eurjchem-2673	94	19	the	the	DET
eurjchem-2673	94	20	picrate	picrate	ADJ
eurjchem-2673	94	21	moiety	moiety	NOUN
eurjchem-2673	94	22	.	.	PUNCT
eurjchem-2673	95	1	the	the	DET
eurjchem-2673	95	2	carbon	carbon	NOUN
eurjchem-2673	95	3	atoms	atom	NOUN
eurjchem-2673	95	4	c15	c15	NOUN
eurjchem-2673	95	5	,	,	PUNCT
eurjchem-2673	95	6	c16	c16	PROPN
eurjchem-2673	95	7	,	,	PUNCT
eurjchem-2673	95	8	c14	c14	NOUN
eurjchem-2673	95	9	and	and	CCONJ
eurjchem-2673	95	10	c20	c20	NOUN
eurjchem-2673	95	11	-	-	PUNCT
eurjchem-2673	95	12	c29	c29	NOUN
eurjchem-2673	95	13	in	in	ADP
eurjchem-2673	95	14	the	the	DET
eurjchem-2673	95	15	other	other	ADJ
eurjchem-2673	95	16	aromatic	aromatic	ADJ
eurjchem-2673	95	17	moieties	moiety	NOUN
eurjchem-2673	95	18	of	of	ADP
eurjchem-2673	95	19	the	the	DET
eurjchem-2673	95	20	complex	complex	NOUN
eurjchem-2673	95	21	were	be	AUX
eurjchem-2673	95	22	assigned	assign	VERB
eurjchem-2673	95	23	to	to	ADP
eurjchem-2673	95	24	the	the	DET
eurjchem-2673	95	25	peak	peak	NOUN
eurjchem-2673	95	26	that	that	PRON
eurjchem-2673	95	27	appeared	appear	VERB
eurjchem-2673	95	28	at	at	ADP
eurjchem-2673	95	29	δ	δ	PROPN
eurjchem-2673	95	30	149.93	149.93	NUM
eurjchem-2673	95	31	,	,	PUNCT
eurjchem-2673	95	32	137.76	137.76	NUM
eurjchem-2673	95	33	,	,	PUNCT
eurjchem-2673	95	34	133.20	133.20	NUM
eurjchem-2673	95	35	,	,	PUNCT
eurjchem-2673	95	36	126.30	126.30	NUM
eurjchem-2673	95	37	,	,	PUNCT
eurjchem-2673	95	38	122.18	122.18	NUM
eurjchem-2673	95	39	,	,	PUNCT
eurjchem-2673	95	40	116.93	116.93	NUM
eurjchem-2673	95	41	,	,	PUNCT
eurjchem-2673	95	42	and	and	CCONJ
eurjchem-2673	95	43	114.56	114.56	NUM
eurjchem-2673	95	44	ppm	ppm	NOUN
eurjchem-2673	95	45	,	,	PUNCT
eurjchem-2673	95	46	respectively	respectively	ADV
eurjchem-2673	95	47	.	.	PUNCT
eurjchem-2673	96	1	3.2	3.2	NUM
eurjchem-2673	96	2	.	.	PUNCT
eurjchem-2673	97	1	crystal	crystal	NOUN
eurjchem-2673	97	2	structure	structure	NOUN
eurjchem-2673	97	3	and	and	CCONJ
eurjchem-2673	97	4	optimized	optimize	VERB
eurjchem-2673	97	5	geometry	geometry	NOUN
eurjchem-2673	97	6	the	the	DET
eurjchem-2673	97	7	crystal	crystal	NOUN
eurjchem-2673	97	8	structure	structure	NOUN
eurjchem-2673	97	9	of	of	ADP
eurjchem-2673	97	10	2-(pyridine-2	2-(pyridine-2	NUM
eurjchem-2673	97	11	-	-	PUNCT
eurjchem-2673	97	12	ylthio)-pyridine-1ium	ylthio)-pyridine-1ium	NOUN
eurjchem-2673	97	13	picrate	picrate	NOUN
eurjchem-2673	97	14	is	be	AUX
eurjchem-2673	97	15	monoclinic	monoclinic	ADJ
eurjchem-2673	97	16	with	with	ADP
eurjchem-2673	97	17	the	the	DET
eurjchem-2673	97	18	space	space	NOUN
eurjchem-2673	97	19	group	group	NOUN
eurjchem-2673	97	20	p21	p21	PROPN
eurjchem-2673	97	21	/	/	SYM
eurjchem-2673	97	22	c	c	PROPN
eurjchem-2673	97	23	with	with	ADP
eurjchem-2673	97	24	z	z	NOUN
eurjchem-2673	97	25	=	=	SYM
eurjchem-2673	97	26	4	4	NUM
eurjchem-2673	97	27	in	in	ADP
eurjchem-2673	97	28	the	the	DET
eurjchem-2673	97	29	unit	unit	NOUN
eurjchem-2673	97	30	cell	cell	NOUN
eurjchem-2673	97	31	.	.	PUNCT
eurjchem-2673	98	1	the	the	DET
eurjchem-2673	98	2	asymmetric	asymmetric	ADJ
eurjchem-2673	98	3	unit	unit	NOUN
eurjchem-2673	98	4	contains	contain	VERB
eurjchem-2673	98	5	one	one	NUM
eurjchem-2673	98	6	pyridinium	pyridinium	NOUN
eurjchem-2673	98	7	and	and	CCONJ
eurjchem-2673	98	8	one	one	NUM
eurjchem-2673	98	9	picrate	picrate	ADJ
eurjchem-2673	98	10	ion	ion	NOUN
eurjchem-2673	98	11	.	.	PUNCT
eurjchem-2673	99	1	due	due	ADP
eurjchem-2673	99	2	to	to	ADP
eurjchem-2673	99	3	the	the	DET
eurjchem-2673	99	4	functional	functional	ADJ
eurjchem-2673	99	5	groups	group	NOUN
eurjchem-2673	99	6	of	of	ADP
eurjchem-2673	99	7	the	the	DET
eurjchem-2673	99	8	title	title	NOUN
eurjchem-2673	99	9	compound	compound	NOUN
eurjchem-2673	99	10	,	,	PUNCT
eurjchem-2673	99	11	the	the	DET
eurjchem-2673	99	12	b	b	NOUN
eurjchem-2673	99	13	-	-	PUNCT
eurjchem-2673	99	14	axis	axis	NOUN
eurjchem-2673	99	15	and	and	CCONJ
eurjchem-2673	99	16	the	the	DET
eurjchem-2673	99	17	c	c	NOUN
eurjchem-2673	99	18	-	-	PUNCT
eurjchem-2673	99	19	axis	axis	NOUN
eurjchem-2673	99	20	(	(	PUNCT
eurjchem-2673	99	21	7.6675(18	7.6675(18	NUM
eurjchem-2673	99	22	)	)	PUNCT
eurjchem-2673	99	23	and	and	CCONJ
eurjchem-2673	99	24	13.846(3	13.846(3	NUM
eurjchem-2673	99	25	)	)	PUNCT
eurjchem-2673	99	26	å	å	NOUN
eurjchem-2673	99	27	,	,	PUNCT
eurjchem-2673	99	28	respectively	respectively	ADV
eurjchem-2673	99	29	)	)	PUNCT
eurjchem-2673	99	30	are	be	AUX
eurjchem-2673	99	31	larger	large	ADJ
eurjchem-2673	99	32	than	than	ADP
eurjchem-2673	99	33	the	the	DET
eurjchem-2673	99	34	a	a	DET
eurjchem-2673	99	35	-	-	PUNCT
eurjchem-2673	99	36	axis	axis	NOUN
eurjchem-2673	99	37	(	(	PUNCT
eurjchem-2673	99	38	16.876(4	16.876(4	NOUN
eurjchem-2673	99	39	)	)	PUNCT
eurjchem-2673	99	40	å	å	NOUN
eurjchem-2673	99	41	)	)	PUNCT
eurjchem-2673	99	42	in	in	ADP
eurjchem-2673	99	43	the	the	DET
eurjchem-2673	99	44	crystal	crystal	NOUN
eurjchem-2673	99	45	dimensions	dimension	NOUN
eurjchem-2673	99	46	.	.	PUNCT
eurjchem-2673	100	1	all	all	DET
eurjchem-2673	100	2	non	non	ADJ
eurjchem-2673	100	3	-	-	ADJ
eurjchem-2673	100	4	hydrogen	hydrogen	ADJ
eurjchem-2673	100	5	atoms	atom	NOUN
eurjchem-2673	100	6	were	be	AUX
eurjchem-2673	100	7	refined	refine	VERB
eurjchem-2673	100	8	anisotropically	anisotropically	ADV
eurjchem-2673	100	9	;	;	PUNCT
eurjchem-2673	100	10	all	all	DET
eurjchem-2673	100	11	other	other	ADJ
eurjchem-2673	100	12	hydrogen	hydrogen	NOUN
eurjchem-2673	100	13	atoms	atom	NOUN
eurjchem-2673	100	14	were	be	AUX
eurjchem-2673	100	15	calculated	calculate	VERB
eurjchem-2673	100	16	to	to	ADP
eurjchem-2673	100	17	their	their	PRON
eurjchem-2673	100	18	idealized	idealized	ADJ
eurjchem-2673	100	19	positions	position	NOUN
eurjchem-2673	100	20	and	and	CCONJ
eurjchem-2673	100	21	a	a	DET
eurjchem-2673	100	22	riding	ride	VERB
eurjchem-2673	100	23	model	model	NOUN
eurjchem-2673	100	24	was	be	AUX
eurjchem-2673	100	25	used	use	VERB
eurjchem-2673	100	26	.	.	PUNCT
eurjchem-2673	101	1	information	information	NOUN
eurjchem-2673	101	2	on	on	ADP
eurjchem-2673	101	3	the	the	DET
eurjchem-2673	101	4	crystal	crystal	NOUN
eurjchem-2673	101	5	data	datum	NOUN
eurjchem-2673	101	6	,	,	PUNCT
eurjchem-2673	101	7	experimental	experimental	ADJ
eurjchem-2673	101	8	conditions	condition	NOUN
eurjchem-2673	101	9	and	and	CCONJ
eurjchem-2673	101	10	structural	structural	ADJ
eurjchem-2673	101	11	refinement	refinement	NOUN
eurjchem-2673	101	12	can	can	AUX
eurjchem-2673	101	13	be	be	AUX
eurjchem-2673	101	14	found	find	VERB
eurjchem-2673	101	15	in	in	ADP
eurjchem-2673	101	16	table	table	NOUN
eurjchem-2673	101	17	1	1	NUM
eurjchem-2673	101	18	.	.	PUNCT
eurjchem-2673	102	1	the	the	DET
eurjchem-2673	102	2	ortep	ortep	NOUN
eurjchem-2673	102	3	view	view	NOUN
eurjchem-2673	102	4	of	of	ADP
eurjchem-2673	102	5	the	the	DET
eurjchem-2673	102	6	molecular	molecular	ADJ
eurjchem-2673	102	7	structure	structure	NOUN
eurjchem-2673	102	8	of	of	ADP
eurjchem-2673	102	9	the	the	DET
eurjchem-2673	102	10	picrate	picrate	ADJ
eurjchem-2673	102	11	crystal	crystal	NOUN
eurjchem-2673	102	12	is	be	AUX
eurjchem-2673	102	13	shown	show	VERB
eurjchem-2673	102	14	in	in	ADP
eurjchem-2673	102	15	figure	figure	NOUN
eurjchem-2673	102	16	2	2	NUM
eurjchem-2673	102	17	.	.	PUNCT
eurjchem-2673	103	1	furthermore	furthermore	ADV
eurjchem-2673	103	2	,	,	PUNCT
eurjchem-2673	103	3	the	the	DET
eurjchem-2673	103	4	optimized	optimize	VERB
eurjchem-2673	103	5	geometric	geometric	ADJ
eurjchem-2673	103	6	structure	structure	NOUN
eurjchem-2673	103	7	of	of	ADP
eurjchem-2673	103	8	the	the	DET
eurjchem-2673	103	9	title	title	NOUN
eurjchem-2673	103	10	compound	compound	NOUN
eurjchem-2673	103	11	obtained	obtain	VERB
eurjchem-2673	103	12	from	from	ADP
eurjchem-2673	103	13	the	the	DET
eurjchem-2673	103	14	dft	dft	PROPN
eurjchem-2673	103	15	/	/	SYM
eurjchem-2673	103	16	b3lyp/6	b3lyp/6	PROPN
eurjchem-2673	103	17	-	-	NOUN
eurjchem-2673	103	18	311g(d	311g(d	NUM
eurjchem-2673	103	19	,	,	PUNCT
eurjchem-2673	103	20	p	p	NOUN
eurjchem-2673	103	21	)	)	PUNCT
eurjchem-2673	103	22	method	method	NOUN
eurjchem-2673	103	23	is	be	AUX
eurjchem-2673	103	24	shown	show	VERB
eurjchem-2673	103	25	in	in	ADP
eurjchem-2673	103	26	figure	figure	NOUN
eurjchem-2673	103	27	3	3	NUM
eurjchem-2673	103	28	with	with	ADP
eurjchem-2673	103	29	the	the	DET
eurjchem-2673	103	30	atom	atom	NOUN
eurjchem-2673	103	31	numbering	numbering	NOUN
eurjchem-2673	103	32	scheme	scheme	NOUN
eurjchem-2673	103	33	.	.	PUNCT
eurjchem-2673	104	1	table	table	NOUN
eurjchem-2673	104	2	2	2	NUM
eurjchem-2673	104	3	shows	show	VERB
eurjchem-2673	104	4	the	the	DET
eurjchem-2673	104	5	final	final	ADJ
eurjchem-2673	104	6	positional	positional	ADJ
eurjchem-2673	104	7	parameters	parameter	NOUN
eurjchem-2673	104	8	of	of	ADP
eurjchem-2673	104	9	the	the	DET
eurjchem-2673	104	10	title	title	NOUN
eurjchem-2673	104	11	compound	compound	NOUN
eurjchem-2673	104	12	.	.	PUNCT
eurjchem-2673	105	1	the	the	DET
eurjchem-2673	105	2	molecule	molecule	NOUN
eurjchem-2673	105	3	is	be	AUX
eurjchem-2673	105	4	composed	compose	VERB
eurjchem-2673	105	5	of	of	ADP
eurjchem-2673	105	6	six	six	NUM
eurjchem-2673	105	7	-	-	PUNCT
eurjchem-2673	105	8	membered	membere	VERB
eurjchem-2673	105	9	two	two	NUM
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eurjchem-2673	105	17	.	.	PUNCT
eurjchem-2673	106	1	in	in	ADP
eurjchem-2673	106	2	the	the	DET
eurjchem-2673	106	3	six	six	NUM
eurjchem-2673	106	4	-	-	PUNCT
eurjchem-2673	106	5	membered	membere	VERB
eurjchem-2673	106	6	pyridine	pyridine	NOUN
eurjchem-2673	106	7	rings	ring	NOUN
eurjchem-2673	106	8	c20	c20	PROPN
eurjchem-2673	106	9	/	/	SYM
eurjchem-2673	106	10	c23	c23	PROPN
eurjchem-2673	106	11	/	/	SYM
eurjchem-2673	106	12	c29	c29	NOUN
eurjchem-2673	106	13	/	/	SYM
eurjchem-2673	106	14	c28	c28	NOUN
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eurjchem-2673	106	16	c24	c24	PROPN
eurjchem-2673	106	17	/	/	SYM
eurjchem-2673	106	18	n12	n12	PROPN
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eurjchem-2673	106	20	c21	c21	NOUN
eurjchem-2673	106	21	/	/	SYM
eurjchem-2673	106	22	c22	c22	PROPN
eurjchem-2673	106	23	/	/	SYM
eurjchem-2673	106	24	c26	c26	NOUN
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eurjchem-2673	106	28	/	/	SYM
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eurjchem-2673	106	36	qt	qt	NOUN
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eurjchem-2673	106	39	)	)	PUNCT
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eurjchem-2673	107	3	φ2	φ2	NOUN
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eurjchem-2673	107	6	)	)	PUNCT
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eurjchem-2673	107	8	,	,	PUNCT
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eurjchem-2673	107	12	)	)	PUNCT
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eurjchem-2673	107	14	]	]	PUNCT
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eurjchem-2673	107	17	)	)	PUNCT
eurjchem-2673	108	1	[	[	X
eurjchem-2673	108	2	φ2	φ2	NOUN
eurjchem-2673	108	3	=	=	SYM
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eurjchem-2673	108	5	)	)	PUNCT
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eurjchem-2673	108	7	,	,	PUNCT
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eurjchem-2673	108	11	)	)	PUNCT
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eurjchem-2673	109	10	/	/	SYM
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eurjchem-2673	109	13	c18/	c18/	PROPN
eurjchem-2673	109	14	c19	c19	PROPN
eurjchem-2673	109	15	/	/	SYM
eurjchem-2673	109	16	c17	c17	PROPN
eurjchem-2673	109	17	/	/	SYM
eurjchem-2673	109	18	c16	c16	PROPN
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eurjchem-2673	109	21	coplanar	coplanar	ADJ
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eurjchem-2673	109	23	the	the	DET
eurjchem-2673	109	24	parameters	parameter	NOUN
eurjchem-2673	109	25	qt	qt	VERB
eurjchem-2673	109	26	=	=	SYM
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eurjchem-2673	109	28	)	)	PUNCT
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eurjchem-2673	110	2	,	,	PUNCT
eurjchem-2673	110	3	[	[	X
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eurjchem-2673	110	5	=	=	SYM
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eurjchem-2673	110	7	)	)	PUNCT
eurjchem-2673	110	8	°	°	NOUN
eurjchem-2673	110	9	,	,	PUNCT
eurjchem-2673	110	10	θ2	θ2	NOUN
eurjchem-2673	110	11	=	=	SYM
eurjchem-2673	110	12	92.44(2.72	92.44(2.72	NUM
eurjchem-2673	110	13	)	)	PUNCT
eurjchem-2673	110	14	°	°	NOUN
eurjchem-2673	111	1	[	[	X
eurjchem-2673	111	2	31	31	NUM
eurjchem-2673	111	3	]	]	PUNCT
eurjchem-2673	111	4	.	.	PUNCT
eurjchem-2673	112	1	the	the	DET
eurjchem-2673	112	2	bond	bond	NOUN
eurjchem-2673	112	3	lengths	length	NOUN
eurjchem-2673	112	4	,	,	PUNCT
eurjchem-2673	112	5	bond	bond	NOUN
eurjchem-2673	112	6	angles	angle	NOUN
eurjchem-2673	112	7	and	and	CCONJ
eurjchem-2673	112	8	dihedral	dihedral	ADJ
eurjchem-2673	112	9	angles	angle	NOUN
eurjchem-2673	112	10	are	be	AUX
eurjchem-2673	112	11	obtained	obtain	VERB
eurjchem-2673	112	12	from	from	ADP
eurjchem-2673	112	13	the	the	DET
eurjchem-2673	112	14	geometry	geometry	NOUN
eurjchem-2673	112	15	optimization	optimization	NOUN
eurjchem-2673	112	16	which	which	PRON
eurjchem-2673	112	17	used	use	VERB
eurjchem-2673	112	18	starting	starting	NOUN
eurjchem-2673	112	19	geometries	geometry	NOUN
eurjchem-2673	112	20	taken	take	VERB
eurjchem-2673	112	21	from	from	ADP
eurjchem-2673	112	22	the	the	DET
eurjchem-2673	112	23	x	x	NOUN
eurjchem-2673	112	24	-	-	NOUN
eurjchem-2673	112	25	ray	ray	NOUN
eurjchem-2673	112	26	structure	structure	NOUN
eurjchem-2673	112	27	determination	determination	NOUN
eurjchem-2673	112	28	.	.	PUNCT
eurjchem-2673	113	1	120	120	NUM
eurjchem-2673	113	2	aydin	aydin	NOUN
eurjchem-2673	113	3	and	and	CCONJ
eurjchem-2673	113	4	kiraz	kiraz	PROPN
eurjchem-2673	113	5	/	/	SYM
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eurjchem-2673	113	10	16	16	NUM
eurjchem-2673	113	11	(	(	PUNCT
eurjchem-2673	113	12	2	2	NUM
eurjchem-2673	113	13	)	)	PUNCT
eurjchem-2673	113	14	(	(	PUNCT
eurjchem-2673	113	15	2025	2025	NUM
eurjchem-2673	113	16	)	)	PUNCT
eurjchem-2673	113	17	117	117	NUM
eurjchem-2673	113	18	-	-	SYM
eurjchem-2673	113	19	128	128	NUM
eurjchem-2673	113	20	2025	2025	NUM
eurjchem-2673	113	21	–	–	PUNCT
eurjchem-2673	113	22	european	european	ADJ
eurjchem-2673	113	23	journal	journal	NOUN
eurjchem-2673	113	24	of	of	ADP
eurjchem-2673	113	25	chemistry	chemistry	NOUN
eurjchem-2673	113	26	–	–	PUNCT
eurjchem-2673	113	27	cc	cc	NOUN
eurjchem-2673	113	28	by	by	ADP
eurjchem-2673	113	29	nc	nc	PROPN
eurjchem-2673	113	30	–	–	PUNCT
eurjchem-2673	113	31	doi	doi	NOUN
eurjchem-2673	113	32	:	:	PUNCT
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eurjchem-2673	113	34	/	/	SYM
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eurjchem-2673	113	36	-	-	SYM
eurjchem-2673	113	37	128.2673	128.2673	NUM
eurjchem-2673	113	38	table	table	NOUN
eurjchem-2673	113	39	2	2	NUM
eurjchem-2673	113	40	.	.	PUNCT
eurjchem-2673	113	41	selected	select	VERB
eurjchem-2673	113	42	experimental	experimental	ADJ
eurjchem-2673	113	43	and	and	CCONJ
eurjchem-2673	113	44	optimized	optimize	VERB
eurjchem-2673	113	45	structural	structural	ADJ
eurjchem-2673	113	46	parameters	parameter	NOUN
eurjchem-2673	113	47	of	of	ADP
eurjchem-2673	113	48	the	the	DET
eurjchem-2673	113	49	title	title	NOUN
eurjchem-2673	113	50	compound	compound	NOUN
eurjchem-2673	113	51	,	,	PUNCT
eurjchem-2673	113	52	2	2	NUM
eurjchem-2673	113	53	-	-	PUNCT
eurjchem-2673	113	54	pyrtppc	pyrtppc	NOUN
eurjchem-2673	113	55	.	.	PUNCT
eurjchem-2673	114	1	parameters	parameter	NOUN
eurjchem-2673	114	2	b3lyp/6	b3lyp/6	PROPN
eurjchem-2673	114	3	-	-	PROPN
eurjchem-2673	114	4	311g(d	311g(d	NUM
eurjchem-2673	114	5	,	,	PUNCT
eurjchem-2673	114	6	p	p	NOUN
eurjchem-2673	114	7	)	)	PUNCT
eurjchem-2673	114	8	exp	exp	NOUN
eurjchem-2673	114	9	.	.	PUNCT
eurjchem-2673	115	1	(	(	PUNCT
eurjchem-2673	115	2	present	present	ADJ
eurjchem-2673	115	3	work	work	NOUN
eurjchem-2673	115	4	)	)	PUNCT
eurjchem-2673	115	5	parameter	parameter	NOUN
eurjchem-2673	115	6	b3lyp/	b3lyp/	NOUN
eurjchem-2673	115	7	6	6	NUM
eurjchem-2673	115	8	-	-	SYM
eurjchem-2673	115	9	311g(d	311g(d	NUM
eurjchem-2673	115	10	,	,	PUNCT
eurjchem-2673	115	11	p	p	NOUN
eurjchem-2673	115	12	)	)	PUNCT
eurjchem-2673	115	13	exp	exp	NOUN
eurjchem-2673	115	14	.	.	PUNCT
eurjchem-2673	116	1	(	(	PUNCT
eurjchem-2673	116	2	present	present	ADJ
eurjchem-2673	116	3	work	work	NOUN
eurjchem-2673	116	4	)	)	PUNCT
eurjchem-2673	116	5	bond	bond	NOUN
eurjchem-2673	116	6	lengths	length	NOUN
eurjchem-2673	116	7	(	(	PUNCT
eurjchem-2673	116	8	å	å	NOUN
eurjchem-2673	116	9	)	)	PUNCT
eurjchem-2673	116	10	s1	s1	NOUN
eurjchem-2673	116	11	-	-	PUNCT
eurjchem-2673	116	12	c21	c21	NOUN
eurjchem-2673	116	13	1.768	1.768	NUM
eurjchem-2673	116	14	1.749(3	1.749(3	NUM
eurjchem-2673	116	15	)	)	PUNCT
eurjchem-2673	116	16	n9	n9	NOUN
eurjchem-2673	116	17	-	-	PUNCT
eurjchem-2673	116	18	o13	o13	VERB
eurjchem-2673	116	19	1.235	1.235	NUM
eurjchem-2673	116	20	1.220(3	1.220(3	NUM
eurjchem-2673	116	21	)	)	PUNCT
eurjchem-2673	116	22	s1	s1	NOUN
eurjchem-2673	116	23	-	-	PUNCT
eurjchem-2673	116	24	c24	c24	NOUN
eurjchem-2673	116	25	1.793	1.793	NUM
eurjchem-2673	116	26	1.779(3	1.779(3	NUM
eurjchem-2673	116	27	)	)	PUNCT
eurjchem-2673	116	28	n9	n9	PROPN
eurjchem-2673	116	29	-	-	PUNCT
eurjchem-2673	116	30	o10	o10	NUM
eurjchem-2673	116	31	1.227	1.227	NUM
eurjchem-2673	116	32	1.229(3	1.229(3	NUM
eurjchem-2673	116	33	)	)	PUNCT
eurjchem-2673	116	34	o2	o2	PROPN
eurjchem-2673	116	35	-	-	PUNCT
eurjchem-2673	116	36	n5	n5	PROPN
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eurjchem-2673	116	38	1.233(2	1.233(2	NUM
eurjchem-2673	116	39	)	)	PUNCT
eurjchem-2673	116	40	n9	n9	PROPN
eurjchem-2673	116	41	-	-	PUNCT
eurjchem-2673	116	42	c18	c18	NOUN
eurjchem-2673	116	43	1.457	1.457	NUM
eurjchem-2673	116	44	1.456(3	1.456(3	NUM
eurjchem-2673	116	45	)	)	PUNCT
eurjchem-2673	116	46	o3	o3	PROPN
eurjchem-2673	116	47	-	-	PUNCT
eurjchem-2673	116	48	n5	n5	PROPN
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eurjchem-2673	116	50	1.231(2	1.231(2	NUM
eurjchem-2673	116	51	)	)	PUNCT
eurjchem-2673	116	52	n12	n12	NOUN
eurjchem-2673	116	53	-	-	PUNCT
eurjchem-2673	116	54	c24	c24	NOUN
eurjchem-2673	116	55	1.334	1.334	NUM
eurjchem-2673	116	56	1.337(3	1.337(3	NUM
eurjchem-2673	116	57	)	)	PUNCT
eurjchem-2673	116	58	o4	o4	PROPN
eurjchem-2673	116	59	-	-	PUNCT
eurjchem-2673	116	60	n8	n8	PROPN
eurjchem-2673	116	61	1.227	1.227	NUM
eurjchem-2673	116	62	1.225(3	1.225(3	NUM
eurjchem-2673	116	63	)	)	PUNCT
eurjchem-2673	116	64	n12	n12	NOUN
eurjchem-2673	116	65	-	-	PUNCT
eurjchem-2673	116	66	c20	c20	NOUN
eurjchem-2673	116	67	1.343	1.343	NUM
eurjchem-2673	116	68	1.347(3	1.347(3	NUM
eurjchem-2673	116	69	)	)	PUNCT
eurjchem-2673	116	70	n5	n5	PROPN
eurjchem-2673	116	71	-	-	PUNCT
eurjchem-2673	116	72	c14	c14	NOUN
eurjchem-2673	116	73	1.453	1.453	NUM
eurjchem-2673	116	74	1.447(3	1.447(3	NUM
eurjchem-2673	116	75	)	)	PUNCT
eurjchem-2673	116	76	c14	c14	NOUN
eurjchem-2673	116	77	-	-	PUNCT
eurjchem-2673	116	78	c15	c15	PROPN
eurjchem-2673	116	79	1.392	1.392	NUM
eurjchem-2673	116	80	1.382(3	1.382(3	NUM
eurjchem-2673	116	81	)	)	PUNCT
eurjchem-2673	116	82	n7	n7	PROPN
eurjchem-2673	116	83	-	-	PUNCT
eurjchem-2673	116	84	c21	c21	NOUN
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eurjchem-2673	116	86	1.342(3	1.342(3	NUM
eurjchem-2673	116	87	)	)	PUNCT
eurjchem-2673	116	88	c14	c14	NOUN
eurjchem-2673	116	89	-	-	PUNCT
eurjchem-2673	116	90	c16	c16	PROPN
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eurjchem-2673	116	92	1.389(3	1.389(3	NUM
eurjchem-2673	116	93	)	)	PUNCT
eurjchem-2673	116	94	n7	n7	PROPN
eurjchem-2673	116	95	-	-	PUNCT
eurjchem-2673	116	96	c25	c25	PROPN
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eurjchem-2673	116	99	)	)	PUNCT
eurjchem-2673	116	100	c15	c15	PROPN
eurjchem-2673	116	101	-	-	PUNCT
eurjchem-2673	116	102	c18	c18	NOUN
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eurjchem-2673	116	107	-	-	PUNCT
eurjchem-2673	116	108	o11	o11	PROPN
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eurjchem-2673	116	112	c16	c16	PROPN
eurjchem-2673	116	113	-	-	PUNCT
eurjchem-2673	116	114	c17	c17	NOUN
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eurjchem-2673	116	116	1.361(3	1.361(3	NUM
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eurjchem-2673	116	118	n8	n8	NOUN
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eurjchem-2673	116	120	c17	c17	NOUN
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eurjchem-2673	116	123	)	)	PUNCT
eurjchem-2673	116	124	c17	c17	NOUN
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eurjchem-2673	116	129	)	)	PUNCT
eurjchem-2673	116	130	bond	bond	NOUN
eurjchem-2673	116	131	angles	angle	NOUN
eurjchem-2673	116	132	(	(	PUNCT
eurjchem-2673	116	133	°	°	NOUN
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eurjchem-2673	116	135	o2	o2	PROPN
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eurjchem-2673	116	137	n5	n5	PROPN
eurjchem-2673	116	138	-	-	PUNCT
eurjchem-2673	116	139	c14	c14	NOUN
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eurjchem-2673	116	141	118.20(19	118.20(19	NUM
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eurjchem-2673	116	143	n9	n9	PROPN
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eurjchem-2673	116	145	c18	c18	NOUN
eurjchem-2673	116	146	-	-	PUNCT
eurjchem-2673	116	147	c19	c19	NOUN
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eurjchem-2673	116	149	119.42(19	119.42(19	NUM
eurjchem-2673	116	150	)	)	PUNCT
eurjchem-2673	116	151	o3	o3	PROPN
eurjchem-2673	116	152	-	-	PUNCT
eurjchem-2673	116	153	n5	n5	PROPN
eurjchem-2673	116	154	-	-	PUNCT
eurjchem-2673	116	155	o2	o2	ADJ
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eurjchem-2673	116	158	)	)	PUNCT
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eurjchem-2673	116	257	n9	n9	NOUN
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eurjchem-2673	119	1	to	to	PART
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eurjchem-2673	119	3	the	the	DET
eurjchem-2673	119	4	theoretical	theoretical	ADJ
eurjchem-2673	119	5	results	result	NOUN
eurjchem-2673	119	6	with	with	ADP
eurjchem-2673	119	7	the	the	DET
eurjchem-2673	119	8	experimental	experimental	ADJ
eurjchem-2673	119	9	one	one	NUM
eurjchem-2673	119	10	,	,	PUNCT
eurjchem-2673	119	11	some	some	DET
eurjchem-2673	119	12	selected	select	VERB
eurjchem-2673	119	13	geometrical	geometrical	ADJ
eurjchem-2673	119	14	parameters	parameter	NOUN
eurjchem-2673	119	15	are	be	AUX
eurjchem-2673	119	16	gathered	gather	VERB
eurjchem-2673	119	17	in	in	ADP
eurjchem-2673	119	18	table	table	NOUN
eurjchem-2673	119	19	2	2	NUM
eurjchem-2673	119	20	.	.	PUNCT
eurjchem-2673	120	1	the	the	DET
eurjchem-2673	120	2	calculated	calculate	VERB
eurjchem-2673	120	3	s	s	NOUN
eurjchem-2673	120	4	-	-	PUNCT
eurjchem-2673	120	5	c	c	NOUN
eurjchem-2673	120	6	,	,	PUNCT
eurjchem-2673	120	7	n	n	CCONJ
eurjchem-2673	120	8	-	-	SYM
eurjchem-2673	120	9	c	c	NOUN
eurjchem-2673	120	10	,	,	PUNCT
eurjchem-2673	120	11	and	and	CCONJ
eurjchem-2673	120	12	o	o	NOUN
eurjchem-2673	120	13	-	-	ADJ
eurjchem-2673	120	14	n	n	PRON
eurjchem-2673	120	15	bond	bond	NOUN
eurjchem-2673	120	16	lengths	length	NOUN
eurjchem-2673	120	17	agree	agree	VERB
eurjchem-2673	120	18	well	well	ADV
eurjchem-2673	120	19	with	with	ADP
eurjchem-2673	120	20	the	the	DET
eurjchem-2673	120	21	experimental	experimental	ADJ
eurjchem-2673	120	22	bond	bond	NOUN
eurjchem-2673	120	23	lengths	length	NOUN
eurjchem-2673	120	24	,	,	PUNCT
eurjchem-2673	120	25	while	while	SCONJ
eurjchem-2673	120	26	the	the	DET
eurjchem-2673	120	27	o4	o4	PROPN
eurjchem-2673	120	28	-	-	PUNCT
eurjchem-2673	120	29	n8	n8	NOUN
eurjchem-2673	120	30	,	,	PUNCT
eurjchem-2673	120	31	n8c17	n8c17	PROPN
eurjchem-2673	120	32	,	,	PUNCT
eurjchem-2673	120	33	n9	n9	PROPN
eurjchem-2673	120	34	-	-	PUNCT
eurjchem-2673	120	35	o10	o10	NOUN
eurjchem-2673	120	36	bond	bond	NOUN
eurjchem-2673	120	37	lenghts	lenght	NOUN
eurjchem-2673	120	38	are	be	AUX
eurjchem-2673	120	39	nearly	nearly	ADV
eurjchem-2673	120	40	0.002	0.002	NUM
eurjchem-2673	120	41	å	å	NOUN
eurjchem-2673	120	42	and	and	CCONJ
eurjchem-2673	120	43	the	the	DET
eurjchem-2673	120	44	n9	n9	PROPN
eurjchem-2673	120	45	-	-	PUNCT
eurjchem-2673	120	46	c18	c18	NOUN
eurjchem-2673	120	47	bond	bond	NOUN
eurjchem-2673	120	48	length	length	NOUN
eurjchem-2673	120	49	is	be	AUX
eurjchem-2673	120	50	nearly	nearly	ADV
eurjchem-2673	120	51	0.001	0.001	NUM
eurjchem-2673	120	52	å	å	NOUN
eurjchem-2673	120	53	longer	long	ADV
eurjchem-2673	120	54	.	.	PUNCT
eurjchem-2673	121	1	the	the	DET
eurjchem-2673	121	2	calculated	calculated	ADJ
eurjchem-2673	121	3	c	c	NOUN
eurjchem-2673	121	4	-	-	PUNCT
eurjchem-2673	121	5	c	c	NOUN
eurjchem-2673	121	6	and	and	CCONJ
eurjchem-2673	121	7	c	c	X
eurjchem-2673	121	8	=	=	NOUN
eurjchem-2673	121	9	c	c	NOUN
eurjchem-2673	121	10	bond	bond	NOUN
eurjchem-2673	121	11	lengths	length	NOUN
eurjchem-2673	121	12	are	be	AUX
eurjchem-2673	121	13	also	also	ADV
eurjchem-2673	121	14	close	close	ADJ
eurjchem-2673	121	15	to	to	ADP
eurjchem-2673	121	16	those	those	PRON
eurjchem-2673	121	17	from	from	ADP
eurjchem-2673	121	18	the	the	DET
eurjchem-2673	121	19	x	x	NOUN
eurjchem-2673	121	20	-	-	NOUN
eurjchem-2673	121	21	ray	ray	NOUN
eurjchem-2673	121	22	data	datum	NOUN
eurjchem-2673	121	23	.	.	PUNCT
eurjchem-2673	122	1	the	the	DET
eurjchem-2673	122	2	calculated	calculated	ADJ
eurjchem-2673	122	3	o	o	NOUN
eurjchem-2673	122	4	-	-	PUNCT
eurjchem-2673	122	5	n	n	CCONJ
eurjchem-2673	122	6	-	-	PUNCT
eurjchem-2673	122	7	c	c	NOUN
eurjchem-2673	122	8	,	,	PUNCT
eurjchem-2673	122	9	o	o	NOUN
eurjchem-2673	122	10	-	-	ADJ
eurjchem-2673	122	11	c	c	NOUN
eurjchem-2673	122	12	-	-	PUNCT
eurjchem-2673	122	13	c	c	NOUN
eurjchem-2673	122	14	,	,	PUNCT
eurjchem-2673	122	15	n	n	CCONJ
eurjchem-2673	122	16	-	-	PUNCT
eurjchem-2673	122	17	c	c	NOUN
eurjchem-2673	122	18	-	-	PUNCT
eurjchem-2673	122	19	s	s	NOUN
eurjchem-2673	122	20	,	,	PUNCT
eurjchem-2673	122	21	n	n	CCONJ
eurjchem-2673	122	22	-	-	PUNCT
eurjchem-2673	122	23	c	c	NOUN
eurjchem-2673	122	24	-	-	PUNCT
eurjchem-2673	122	25	c	c	NOUN
eurjchem-2673	122	26	,	,	PUNCT
eurjchem-2673	122	27	o	o	NOUN
eurjchem-2673	122	28	-	-	PUNCT
eurjchem-2673	122	29	n	n	CCONJ
eurjchem-2673	122	30	-	-	PUNCT
eurjchem-2673	122	31	o	o	NOUN
eurjchem-2673	122	32	,	,	PUNCT
eurjchem-2673	122	33	c	c	X
eurjchem-2673	122	34	-	-	PUNCT
eurjchem-2673	122	35	c	c	NOUN
eurjchem-2673	122	36	-	-	PUNCT
eurjchem-2673	122	37	s	s	NOUN
eurjchem-2673	122	38	,	,	PUNCT
eurjchem-2673	122	39	c	c	X
eurjchem-2673	122	40	-	-	PUNCT
eurjchem-2673	122	41	s	s	NOUN
eurjchem-2673	122	42	-	-	PUNCT
eurjchem-2673	122	43	c	c	NOUN
eurjchem-2673	122	44	,	,	PUNCT
eurjchem-2673	122	45	and	and	CCONJ
eurjchem-2673	122	46	c	c	X
eurjchem-2673	122	47	-	-	PUNCT
eurjchem-2673	122	48	c	c	NOUN
eurjchem-2673	122	49	-	-	PUNCT
eurjchem-2673	122	50	c	c	NOUN
eurjchem-2673	122	51	bond	bond	NOUN
eurjchem-2673	122	52	angles	angle	NOUN
eurjchem-2673	122	53	are	be	AUX
eurjchem-2673	122	54	consistent	consistent	ADJ
eurjchem-2673	122	55	with	with	ADP
eurjchem-2673	122	56	the	the	DET
eurjchem-2673	122	57	experimental	experimental	ADJ
eurjchem-2673	122	58	data	datum	NOUN
eurjchem-2673	122	59	except	except	SCONJ
eurjchem-2673	122	60	for	for	ADP
eurjchem-2673	122	61	the	the	DET
eurjchem-2673	122	62	n12	n12	NOUN
eurjchem-2673	122	63	-	-	PUNCT
eurjchem-2673	122	64	c24	c24	NOUN
eurjchem-2673	122	65	-	-	PUNCT
eurjchem-2673	122	66	s1	s1	NOUN
eurjchem-2673	122	67	bond	bond	NOUN
eurjchem-2673	122	68	angle	angle	NOUN
eurjchem-2673	122	69	.	.	PUNCT
eurjchem-2673	123	1	the	the	DET
eurjchem-2673	123	2	theoretical	theoretical	ADJ
eurjchem-2673	123	3	value	value	NOUN
eurjchem-2673	123	4	of	of	ADP
eurjchem-2673	123	5	this	this	DET
eurjchem-2673	123	6	angle	angle	NOUN
eurjchem-2673	123	7	is	be	AUX
eurjchem-2673	123	8	slightly	slightly	ADV
eurjchem-2673	123	9	different	different	ADJ
eurjchem-2673	123	10	from	from	ADP
eurjchem-2673	123	11	the	the	DET
eurjchem-2673	123	12	experimental	experimental	ADJ
eurjchem-2673	123	13	value	value	NOUN
eurjchem-2673	123	14	,	,	PUNCT
eurjchem-2673	123	15	with	with	ADP
eurjchem-2673	123	16	the	the	DET
eurjchem-2673	123	17	n12	n12	NOUN
eurjchem-2673	123	18	-	-	PUNCT
eurjchem-2673	123	19	c24	c24	NOUN
eurjchem-2673	123	20	-	-	PUNCT
eurjchem-2673	123	21	s1	s1	NOUN
eurjchem-2673	123	22	bond	bond	NOUN
eurjchem-2673	123	23	angle	angle	NOUN
eurjchem-2673	123	24	being	be	AUX
eurjchem-2673	123	25	theoretically	theoretically	ADV
eurjchem-2673	123	26	122.06	122.06	NUM
eurjchem-2673	123	27	°	°	NUM
eurjchem-2673	123	28	and	and	CCONJ
eurjchem-2673	123	29	experimentally	experimentally	ADV
eurjchem-2673	123	30	120.39(19)	120.39(19)	NUM
eurjchem-2673	123	31	°	°	PROPN
eurjchem-2673	123	32	.	.	PUNCT
eurjchem-2673	124	1	this	this	DET
eurjchem-2673	124	2	difference	difference	NOUN
eurjchem-2673	124	3	in	in	ADP
eurjchem-2673	124	4	angle	angle	NOUN
eurjchem-2673	124	5	is	be	AUX
eurjchem-2673	124	6	due	due	ADJ
eurjchem-2673	124	7	to	to	ADP
eurjchem-2673	124	8	the	the	DET
eurjchem-2673	124	9	limitations	limitation	NOUN
eurjchem-2673	124	10	of	of	ADP
eurjchem-2673	124	11	the	the	DET
eurjchem-2673	124	12	dft	dft	PROPN
eurjchem-2673	124	13	method	method	NOUN
eurjchem-2673	124	14	[	[	X
eurjchem-2673	124	15	32	32	NUM
eurjchem-2673	124	16	]	]	PUNCT
eurjchem-2673	124	17	.	.	PUNCT
eurjchem-2673	125	1	aydin	aydin	NOUN
eurjchem-2673	125	2	and	and	CCONJ
eurjchem-2673	125	3	kiraz	kiraz	PROPN
eurjchem-2673	125	4	/	/	SYM
eurjchem-2673	125	5	european	european	PROPN
eurjchem-2673	125	6	journal	journal	PROPN
eurjchem-2673	125	7	of	of	ADP
eurjchem-2673	125	8	chemistry	chemistry	NOUN
eurjchem-2673	125	9	16	16	NUM
eurjchem-2673	125	10	(	(	PUNCT
eurjchem-2673	125	11	2	2	NUM
eurjchem-2673	125	12	)	)	PUNCT
eurjchem-2673	125	13	(	(	PUNCT
eurjchem-2673	125	14	2025	2025	NUM
eurjchem-2673	125	15	)	)	PUNCT
eurjchem-2673	125	16	117	117	NUM
eurjchem-2673	125	17	-	-	SYM
eurjchem-2673	125	18	128	128	NUM
eurjchem-2673	125	19	121	121	NUM
eurjchem-2673	125	20	2025	2025	NUM
eurjchem-2673	125	21	–	–	PUNCT
eurjchem-2673	125	22	european	european	ADJ
eurjchem-2673	125	23	journal	journal	NOUN
eurjchem-2673	125	24	of	of	ADP
eurjchem-2673	125	25	chemistry	chemistry	NOUN
eurjchem-2673	125	26	–	–	PUNCT
eurjchem-2673	125	27	cc	cc	NOUN
eurjchem-2673	125	28	by	by	ADP
eurjchem-2673	125	29	nc	nc	PROPN
eurjchem-2673	125	30	–	–	PUNCT
eurjchem-2673	125	31	doi	doi	NOUN
eurjchem-2673	125	32	:	:	PUNCT
eurjchem-2673	125	33	10.5155	10.5155	NUM
eurjchem-2673	125	34	/	/	SYM
eurjchem-2673	125	35	eurjchem.16.2.117	eurjchem.16.2.117	VERB
eurjchem-2673	125	36	-	-	SYM
eurjchem-2673	125	37	128.2673	128.2673	NUM
eurjchem-2673	125	38	table	table	NOUN
eurjchem-2673	125	39	3	3	NUM
eurjchem-2673	125	40	.	.	PUNCT
eurjchem-2673	126	1	hydrogen	hydrogen	NOUN
eurjchem-2673	126	2	bond	bond	NOUN
eurjchem-2673	126	3	between	between	ADP
eurjchem-2673	126	4	some	some	DET
eurjchem-2673	126	5	atom	atom	NOUN
eurjchem-2673	126	6	(	(	PUNCT
eurjchem-2673	126	7	å	å	PROPN
eurjchem-2673	126	8	,	,	PUNCT
eurjchem-2673	126	9	°	°	NUM
eurjchem-2673	126	10	)	)	PUNCT
eurjchem-2673	126	11	for	for	ADP
eurjchem-2673	126	12	the	the	DET
eurjchem-2673	126	13	compound	compound	NOUN
eurjchem-2673	126	14	,	,	PUNCT
eurjchem-2673	126	15	2	2	NUM
eurjchem-2673	126	16	-	-	PUNCT
eurjchem-2673	126	17	pyrtppc	pyrtppc	NOUN
eurjchem-2673	126	18	.	.	PUNCT
eurjchem-2673	127	1	d	d	X
eurjchem-2673	127	2	-	-	PUNCT
eurjchem-2673	127	3	h···a	h···a	ADJ
eurjchem-2673	127	4	d	d	NOUN
eurjchem-2673	127	5	-	-	PUNCT
eurjchem-2673	127	6	h	h	NOUN
eurjchem-2673	127	7	(	(	PUNCT
eurjchem-2673	127	8	å	å	NOUN
eurjchem-2673	127	9	)	)	PUNCT
eurjchem-2673	127	10	d···a	d···a	NOUN
eurjchem-2673	127	11	(	(	PUNCT
eurjchem-2673	127	12	å	å	NOUN
eurjchem-2673	127	13	)	)	PUNCT
eurjchem-2673	127	14	h···a	h···a	PROPN
eurjchem-2673	127	15	(	(	PUNCT
eurjchem-2673	127	16	å	å	NOUN
eurjchem-2673	127	17	)	)	PUNCT
eurjchem-2673	127	18	d	d	NOUN
eurjchem-2673	127	19	-	-	PUNCT
eurjchem-2673	127	20	h···a	h···a	NOUN
eurjchem-2673	127	21	(	(	PUNCT
eurjchem-2673	127	22	o	o	NOUN
eurjchem-2673	127	23	)	)	PUNCT
eurjchem-2673	127	24	n7	n7	PROPN
eurjchem-2673	127	25	-	-	PUNCT
eurjchem-2673	127	26	h40···n12i	h40···n12i	NOUN
eurjchem-2673	127	27	0.85(3	0.85(3	NUM
eurjchem-2673	127	28	)	)	PUNCT
eurjchem-2673	127	29	2.630(3	2.630(3	NUM
eurjchem-2673	127	30	)	)	PUNCT
eurjchem-2673	127	31	1.85(3	1.85(3	NUM
eurjchem-2673	127	32	)	)	PUNCT
eurjchem-2673	127	33	150(3	150(3	NUM
eurjchem-2673	127	34	)	)	PUNCT
eurjchem-2673	127	35	c16	c16	NOUN
eurjchem-2673	127	36	-	-	PUNCT
eurjchem-2673	127	37	h30···o2ii	h30···o2ii	PROPN
eurjchem-2673	127	38	0.96(2	0.96(2	PROPN
eurjchem-2673	127	39	)	)	PUNCT
eurjchem-2673	127	40	3.255(3	3.255(3	NUM
eurjchem-2673	127	41	)	)	PUNCT
eurjchem-2673	127	42	2.59(2	2.59(2	NUM
eurjchem-2673	127	43	)	)	PUNCT
eurjchem-2673	127	44	127.12(17	127.12(17	NUM
eurjchem-2673	127	45	)	)	PUNCT
eurjchem-2673	127	46	c15	c15	PROPN
eurjchem-2673	127	47	-	-	PUNCT
eurjchem-2673	127	48	h31···o10i	h31···o10i	PROPN
eurjchem-2673	127	49	0.93(2	0.93(2	NUM
eurjchem-2673	127	50	)	)	PUNCT
eurjchem-2673	127	51	2.703(3	2.703(3	NUM
eurjchem-2673	127	52	)	)	PUNCT
eurjchem-2673	127	53	2.38(2	2.38(2	NUM
eurjchem-2673	127	54	)	)	PUNCT
eurjchem-2673	127	55	100.1(16	100.1(16	NOUN
eurjchem-2673	127	56	)	)	PUNCT
eurjchem-2673	127	57	c26	c26	NOUN
eurjchem-2673	127	58	-	-	PUNCT
eurjchem-2673	127	59	h32···o6ii	h32···o6ii	PROPN
eurjchem-2673	127	60	0.98(3	0.98(3	PROPN
eurjchem-2673	127	61	)	)	PUNCT
eurjchem-2673	127	62	3.128(4	3.128(4	NUM
eurjchem-2673	127	63	)	)	PUNCT
eurjchem-2673	127	64	2.36(3	2.36(3	NUM
eurjchem-2673	127	65	)	)	PUNCT
eurjchem-2673	127	66	135(2	135(2	NUM
eurjchem-2673	127	67	)	)	PUNCT
eurjchem-2673	127	68	c25	c25	NOUN
eurjchem-2673	127	69	-	-	PUNCT
eurjchem-2673	127	70	h34···o6iii	h34···o6iii	X
eurjchem-2673	127	71	0.95(3	0.95(3	NOUN
eurjchem-2673	127	72	)	)	PUNCT
eurjchem-2673	127	73	3.252(3	3.252(3	NUM
eurjchem-2673	127	74	)	)	PUNCT
eurjchem-2673	127	75	2.35(3	2.35(3	NUM
eurjchem-2673	127	76	)	)	PUNCT
eurjchem-2673	127	77	159(2	159(2	NUM
eurjchem-2673	127	78	)	)	PUNCT
eurjchem-2673	127	79	c25	c25	NOUN
eurjchem-2673	127	80	-	-	PUNCT
eurjchem-2673	127	81	h34···o11iii	h34···o11iii	NOUN
eurjchem-2673	127	82	0.95(3	0.95(3	NOUN
eurjchem-2673	127	83	)	)	PUNCT
eurjchem-2673	127	84	3.097(3	3.097(3	NUM
eurjchem-2673	127	85	)	)	PUNCT
eurjchem-2673	127	86	2.41(3	2.41(3	NUM
eurjchem-2673	127	87	)	)	PUNCT
eurjchem-2673	127	88	128(2	128(2	NUM
eurjchem-2673	127	89	)	)	PUNCT
eurjchem-2673	127	90	symmetry	symmetry	NOUN
eurjchem-2673	127	91	codes	code	NOUN
eurjchem-2673	127	92	:	:	PUNCT
eurjchem-2673	127	93	(	(	PUNCT
eurjchem-2673	127	94	i	i	NOUN
eurjchem-2673	127	95	)	)	PUNCT
eurjchem-2673	127	96	x	x	PROPN
eurjchem-2673	127	97	,	,	PUNCT
eurjchem-2673	127	98	y	y	PROPN
eurjchem-2673	127	99	,	,	PUNCT
eurjchem-2673	127	100	z	z	NOUN
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eurjchem-2673	127	102	(	(	PUNCT
eurjchem-2673	127	103	ii	ii	NOUN
eurjchem-2673	127	104	)	)	PUNCT
eurjchem-2673	127	105	-x	-x	X
eurjchem-2673	127	106	,	,	PUNCT
eurjchem-2673	127	107	1	1	NUM
eurjchem-2673	127	108	-	-	SYM
eurjchem-2673	127	109	y	y	NUM
eurjchem-2673	127	110	,	,	PUNCT
eurjchem-2673	127	111	1	1	NUM
eurjchem-2673	127	112	-	-	SYM
eurjchem-2673	127	113	z	z	NOUN
eurjchem-2673	127	114	;	;	PUNCT
eurjchem-2673	127	115	(	(	PUNCT
eurjchem-2673	127	116	iii	iii	X
eurjchem-2673	127	117	)	)	PUNCT
eurjchem-2673	127	118	x	x	NOUN
eurjchem-2673	127	119	,	,	PUNCT
eurjchem-2673	127	120	3/2	3/2	NUM
eurjchem-2673	127	121	-	-	SYM
eurjchem-2673	127	122	y	y	NOUN
eurjchem-2673	127	123	,	,	PUNCT
eurjchem-2673	127	124	-1/2+z	-1/2+z	PROPN
eurjchem-2673	127	125	.	.	PUNCT
eurjchem-2673	127	126	figure	figure	NOUN
eurjchem-2673	127	127	3	3	NUM
eurjchem-2673	127	128	.	.	PUNCT
eurjchem-2673	128	1	the	the	DET
eurjchem-2673	128	2	ground	ground	NOUN
eurjchem-2673	128	3	state	state	NOUN
eurjchem-2673	128	4	optimized	optimize	VERB
eurjchem-2673	128	5	geometry	geometry	NOUN
eurjchem-2673	128	6	for	for	ADP
eurjchem-2673	128	7	the	the	DET
eurjchem-2673	128	8	title	title	NOUN
eurjchem-2673	128	9	compound	compound	NOUN
eurjchem-2673	128	10	,	,	PUNCT
eurjchem-2673	128	11	2	2	NUM
eurjchem-2673	128	12	-	-	PUNCT
eurjchem-2673	128	13	pyrtppc	pyrtppc	NOUN
eurjchem-2673	128	14	.	.	PUNCT
eurjchem-2673	129	1	figure	figure	NOUN
eurjchem-2673	129	2	4	4	NUM
eurjchem-2673	129	3	.	.	NOUN
eurjchem-2673	129	4	intramolecular	intramolecular	ADJ
eurjchem-2673	129	5	and	and	CCONJ
eurjchem-2673	129	6	intermolecular	intermolecular	ADJ
eurjchem-2673	129	7	h	h	NOUN
eurjchem-2673	129	8	-	-	PUNCT
eurjchem-2673	129	9	bonds	bond	NOUN
eurjchem-2673	129	10	in	in	ADP
eurjchem-2673	129	11	the	the	DET
eurjchem-2673	129	12	dimer	dimer	NOUN
eurjchem-2673	129	13	.	.	PUNCT
eurjchem-2673	130	1	the	the	DET
eurjchem-2673	130	2	dotted	dotted	ADJ
eurjchem-2673	130	3	lines	line	NOUN
eurjchem-2673	130	4	represent	represent	VERB
eurjchem-2673	130	5	c	c	PROPN
eurjchem-2673	130	6	–	–	PUNCT
eurjchem-2673	130	7	h∙∙∙o	h∙∙∙o	PROPN
eurjchem-2673	130	8	and	and	CCONJ
eurjchem-2673	130	9	n	n	CCONJ
eurjchem-2673	130	10	-	-	PUNCT
eurjchem-2673	130	11	h∙∙∙n	h∙∙∙n	NOUN
eurjchem-2673	130	12	hydrogen	hydrogen	NOUN
eurjchem-2673	130	13	interactions	interaction	NOUN
eurjchem-2673	130	14	of	of	ADP
eurjchem-2673	130	15	the	the	DET
eurjchem-2673	130	16	title	title	NOUN
eurjchem-2673	130	17	compound	compound	NOUN
eurjchem-2673	130	18	,	,	PUNCT
eurjchem-2673	130	19	2	2	NUM
eurjchem-2673	130	20	-	-	PUNCT
eurjchem-2673	130	21	pyrtppc	pyrtppc	NOUN
eurjchem-2673	130	22	.	.	PUNCT
eurjchem-2673	131	1	the	the	DET
eurjchem-2673	131	2	crystal	crystal	NOUN
eurjchem-2673	131	3	structure	structure	NOUN
eurjchem-2673	131	4	is	be	AUX
eurjchem-2673	131	5	an	an	DET
eurjchem-2673	131	6	impressive	impressive	ADJ
eurjchem-2673	131	7	display	display	NOUN
eurjchem-2673	131	8	of	of	ADP
eurjchem-2673	131	9	molecular	molecular	ADJ
eurjchem-2673	131	10	architecture	architecture	NOUN
eurjchem-2673	131	11	,	,	PUNCT
eurjchem-2673	131	12	with	with	ADP
eurjchem-2673	131	13	interand	interand	VERB
eurjchem-2673	131	14	intramolecular	intramolecular	ADJ
eurjchem-2673	131	15	hydrogen	hydrogen	NOUN
eurjchem-2673	131	16	bonding	bonding	NOUN
eurjchem-2673	131	17	playing	play	VERB
eurjchem-2673	131	18	a	a	DET
eurjchem-2673	131	19	crucial	crucial	ADJ
eurjchem-2673	131	20	role	role	NOUN
eurjchem-2673	131	21	.	.	PUNCT
eurjchem-2673	132	1	the	the	DET
eurjchem-2673	132	2	arrangement	arrangement	NOUN
eurjchem-2673	132	3	of	of	ADP
eurjchem-2673	132	4	these	these	DET
eurjchem-2673	132	5	bonds	bond	NOUN
eurjchem-2673	132	6	has	have	AUX
eurjchem-2673	132	7	been	be	AUX
eurjchem-2673	132	8	carefully	carefully	ADV
eurjchem-2673	132	9	planned	plan	VERB
eurjchem-2673	132	10	to	to	PART
eurjchem-2673	132	11	ensure	ensure	VERB
eurjchem-2673	132	12	optimal	optimal	ADJ
eurjchem-2673	132	13	balance	balance	NOUN
eurjchem-2673	132	14	and	and	CCONJ
eurjchem-2673	132	15	stability	stability	NOUN
eurjchem-2673	132	16	within	within	ADP
eurjchem-2673	132	17	the	the	DET
eurjchem-2673	132	18	structure	structure	NOUN
eurjchem-2673	132	19	.	.	PUNCT
eurjchem-2673	133	1	this	this	DET
eurjchem-2673	133	2	systematic	systematic	ADJ
eurjchem-2673	133	3	design	design	NOUN
eurjchem-2673	133	4	provides	provide	VERB
eurjchem-2673	133	5	a	a	DET
eurjchem-2673	133	6	comprehensive	comprehensive	ADJ
eurjchem-2673	133	7	overview	overview	NOUN
eurjchem-2673	133	8	of	of	ADP
eurjchem-2673	133	9	the	the	DET
eurjchem-2673	133	10	structural	structural	ADJ
eurjchem-2673	133	11	dynamics	dynamic	NOUN
eurjchem-2673	133	12	involved	involve	VERB
eurjchem-2673	133	13	.	.	PUNCT
eurjchem-2673	134	1	these	these	DET
eurjchem-2673	134	2	balance	balance	NOUN
eurjchem-2673	134	3	and	and	CCONJ
eurjchem-2673	134	4	stability	stability	NOUN
eurjchem-2673	134	5	are	be	AUX
eurjchem-2673	134	6	also	also	ADV
eurjchem-2673	134	7	evident	evident	ADJ
eurjchem-2673	134	8	from	from	ADP
eurjchem-2673	134	9	the	the	DET
eurjchem-2673	134	10	nbo	nbo	PROPN
eurjchem-2673	134	11	analysis	analysis	NOUN
eurjchem-2673	134	12	parameters	parameter	NOUN
eurjchem-2673	134	13	.	.	PUNCT
eurjchem-2673	135	1	the	the	DET
eurjchem-2673	135	2	stabilization	stabilization	NOUN
eurjchem-2673	135	3	energies	energy	NOUN
eurjchem-2673	135	4	between	between	ADP
eurjchem-2673	135	5	the	the	DET
eurjchem-2673	135	6	donor	donor	NOUN
eurjchem-2673	135	7	s1(lp	s1(lp	PROPN
eurjchem-2673	135	8	)	)	PUNCT
eurjchem-2673	135	9	and	and	CCONJ
eurjchem-2673	135	10	the	the	DET
eurjchem-2673	135	11	acceptor	acceptor	NOUN
eurjchem-2673	135	12	c24	c24	PROPN
eurjchem-2673	135	13	-	-	PUNCT
eurjchem-2673	135	14	n12	n12	NOUN
eurjchem-2673	135	15	bond	bond	NOUN
eurjchem-2673	135	16	were	be	AUX
eurjchem-2673	135	17	found	find	VERB
eurjchem-2673	135	18	to	to	PART
eurjchem-2673	135	19	have	have	VERB
eurjchem-2673	135	20	a	a	DET
eurjchem-2673	135	21	low	low	ADJ
eurjchem-2673	135	22	value	value	NOUN
eurjchem-2673	135	23	of	of	ADP
eurjchem-2673	135	24	4.31	4.31	NUM
eurjchem-2673	135	25	kcal	kcal	NOUN
eurjchem-2673	135	26	/	/	SYM
eurjchem-2673	135	27	mol	mol	PROPN
eurjchem-2673	135	28	.	.	PUNCT
eurjchem-2673	136	1	the	the	DET
eurjchem-2673	136	2	orientation	orientation	NOUN
eurjchem-2673	136	3	of	of	ADP
eurjchem-2673	136	4	the	the	DET
eurjchem-2673	136	5	pyridine	pyridine	NOUN
eurjchem-2673	136	6	and	and	CCONJ
eurjchem-2673	136	7	benzene	benzene	NOUN
eurjchem-2673	136	8	rings	ring	NOUN
eurjchem-2673	136	9	is	be	AUX
eurjchem-2673	136	10	also	also	ADV
eurjchem-2673	136	11	defined	define	VERB
eurjchem-2673	136	12	by	by	ADP
eurjchem-2673	136	13	torsion	torsion	NOUN
eurjchem-2673	136	14	angles	angle	NOUN
eurjchem-2673	136	15	.	.	PUNCT
eurjchem-2673	137	1	the	the	DET
eurjchem-2673	137	2	compound	compound	NOUN
eurjchem-2673	137	3	demonstrates	demonstrate	VERB
eurjchem-2673	137	4	intramolecular	intramolecular	ADJ
eurjchem-2673	137	5	and	and	CCONJ
eurjchem-2673	137	6	intermolecular	intermolecular	ADJ
eurjchem-2673	137	7	n	n	CCONJ
eurjchem-2673	137	8	-	-	PUNCT
eurjchem-2673	137	9	h∙∙∙n	h∙∙∙n	NOUN
eurjchem-2673	137	10	and	and	CCONJ
eurjchem-2673	137	11	c	c	PROPN
eurjchem-2673	137	12	-	-	PUNCT
eurjchem-2673	137	13	h∙∙∙o	h∙∙∙o	PROPN
eurjchem-2673	137	14	hydrogen	hydrogen	NOUN
eurjchem-2673	137	15	bonds	bond	NOUN
eurjchem-2673	137	16	in	in	ADP
eurjchem-2673	137	17	the	the	DET
eurjchem-2673	137	18	crystal	crystal	NOUN
eurjchem-2673	137	19	(	(	PUNCT
eurjchem-2673	137	20	table	table	NOUN
eurjchem-2673	137	21	3	3	NUM
eurjchem-2673	137	22	)	)	PUNCT
eurjchem-2673	137	23	.	.	PUNCT
eurjchem-2673	138	1	this	this	DET
eurjchem-2673	138	2	type	type	NOUN
eurjchem-2673	138	3	of	of	ADP
eurjchem-2673	138	4	c	c	NOUN
eurjchem-2673	138	5	-	-	PUNCT
eurjchem-2673	138	6	h∙∙∙x	h∙∙∙x	PROPN
eurjchem-2673	138	7	(	(	PUNCT
eurjchem-2673	138	8	x	x	PUNCT
eurjchem-2673	138	9	=	=	SYM
eurjchem-2673	138	10	o	o	NOUN
eurjchem-2673	138	11	,	,	PUNCT
eurjchem-2673	138	12	n	n	CCONJ
eurjchem-2673	138	13	)	)	PUNCT
eurjchem-2673	138	14	hydrogen	hydrogen	NOUN
eurjchem-2673	138	15	bond	bond	NOUN
eurjchem-2673	138	16	has	have	AUX
eurjchem-2673	138	17	been	be	AUX
eurjchem-2673	138	18	well	well	ADV
eurjchem-2673	138	19	reviewed	review	VERB
eurjchem-2673	138	20	in	in	ADP
eurjchem-2673	138	21	the	the	DET
eurjchem-2673	138	22	literature	literature	NOUN
eurjchem-2673	138	23	[	[	X
eurjchem-2673	138	24	33	33	NUM
eurjchem-2673	138	25	]	]	PUNCT
eurjchem-2673	138	26	.	.	PUNCT
eurjchem-2673	139	1	the	the	DET
eurjchem-2673	139	2	notable	notable	ADJ
eurjchem-2673	139	3	properties	property	NOUN
eurjchem-2673	139	4	of	of	ADP
eurjchem-2673	139	5	the	the	DET
eurjchem-2673	139	6	crystal	crystal	NOUN
eurjchem-2673	139	7	arise	arise	NOUN
eurjchem-2673	139	8	from	from	ADP
eurjchem-2673	139	9	an	an	DET
eurjchem-2673	139	10	intricately	intricately	ADV
eurjchem-2673	139	11	organized	organize	VERB
eurjchem-2673	139	12	and	and	CCONJ
eurjchem-2673	139	13	balanced	balanced	ADJ
eurjchem-2673	139	14	structural	structural	ADJ
eurjchem-2673	139	15	framework	framework	NOUN
eurjchem-2673	139	16	.	.	PUNCT
eurjchem-2673	140	1	this	this	DET
eurjchem-2673	140	2	framework	framework	NOUN
eurjchem-2673	140	3	is	be	AUX
eurjchem-2673	140	4	formed	form	VERB
eurjchem-2673	140	5	through	through	ADP
eurjchem-2673	140	6	complex	complex	ADJ
eurjchem-2673	140	7	interactions	interaction	NOUN
eurjchem-2673	140	8	that	that	PRON
eurjchem-2673	140	9	involve	involve	VERB
eurjchem-2673	140	10	both	both	CCONJ
eurjchem-2673	140	11	intermolecular	intermolecular	ADJ
eurjchem-2673	140	12	and	and	CCONJ
eurjchem-2673	140	13	intramolecular	intramolecular	ADJ
eurjchem-2673	140	14	hydrogen	hydrogen	NOUN
eurjchem-2673	140	15	bonding	bonding	NOUN
eurjchem-2673	140	16	.	.	PUNCT
eurjchem-2673	141	1	intermolecular	intermolecular	ADJ
eurjchem-2673	141	2	hydrogen	hydrogen	NOUN
eurjchem-2673	141	3	bonds	bond	NOUN
eurjchem-2673	141	4	occur	occur	VERB
eurjchem-2673	141	5	between	between	ADP
eurjchem-2673	141	6	separate	separate	ADJ
eurjchem-2673	141	7	molecules	molecule	NOUN
eurjchem-2673	141	8	,	,	PUNCT
eurjchem-2673	141	9	whereas	whereas	SCONJ
eurjchem-2673	141	10	intramolecular	intramolecular	ADJ
eurjchem-2673	141	11	bonds	bond	NOUN
eurjchem-2673	141	12	form	form	VERB
eurjchem-2673	141	13	within	within	ADP
eurjchem-2673	141	14	a	a	DET
eurjchem-2673	141	15	single	single	ADJ
eurjchem-2673	141	16	molecule	molecule	NOUN
eurjchem-2673	141	17	.	.	PUNCT
eurjchem-2673	142	1	the	the	DET
eurjchem-2673	142	2	synergistic	synergistic	ADJ
eurjchem-2673	142	3	effects	effect	NOUN
eurjchem-2673	142	4	of	of	ADP
eurjchem-2673	142	5	these	these	DET
eurjchem-2673	142	6	bonding	bonding	NOUN
eurjchem-2673	142	7	interactions	interaction	NOUN
eurjchem-2673	142	8	enhance	enhance	VERB
eurjchem-2673	142	9	not	not	PART
eurjchem-2673	142	10	only	only	ADV
eurjchem-2673	142	11	the	the	DET
eurjchem-2673	142	12	stability	stability	NOUN
eurjchem-2673	142	13	of	of	ADP
eurjchem-2673	142	14	the	the	DET
eurjchem-2673	142	15	crystal	crystal	NOUN
eurjchem-2673	142	16	but	but	CCONJ
eurjchem-2673	142	17	also	also	ADV
eurjchem-2673	142	18	the	the	DET
eurjchem-2673	142	19	ability	ability	NOUN
eurjchem-2673	142	20	to	to	PART
eurjchem-2673	142	21	significantly	significantly	ADV
eurjchem-2673	142	22	influence	influence	VERB
eurjchem-2673	142	23	its	its	PRON
eurjchem-2673	142	24	various	various	ADJ
eurjchem-2673	142	25	physical	physical	ADJ
eurjchem-2673	142	26	and	and	CCONJ
eurjchem-2673	142	27	chemical	chemical	NOUN
eurjchem-2673	142	28	properties	property	NOUN
eurjchem-2673	142	29	.	.	PUNCT
eurjchem-2673	143	1	a	a	DET
eurjchem-2673	143	2	comprehensive	comprehensive	ADJ
eurjchem-2673	143	3	analysis	analysis	NOUN
eurjchem-2673	143	4	of	of	ADP
eurjchem-2673	143	5	these	these	DET
eurjchem-2673	143	6	interactions	interaction	NOUN
eurjchem-2673	143	7	and	and	CCONJ
eurjchem-2673	143	8	their	their	PRON
eurjchem-2673	143	9	implications	implication	NOUN
eurjchem-2673	143	10	is	be	AUX
eurjchem-2673	143	11	detailed	detail	VERB
eurjchem-2673	143	12	in	in	ADP
eurjchem-2673	143	13	table	table	NOUN
eurjchem-2673	143	14	3	3	NUM
eurjchem-2673	143	15	.	.	PUNCT
eurjchem-2673	144	1	the	the	DET
eurjchem-2673	144	2	title	title	NOUN
eurjchem-2673	144	3	compound	compound	NOUN
eurjchem-2673	144	4	consists	consist	VERB
eurjchem-2673	144	5	of	of	ADP
eurjchem-2673	144	6	dimeric	dimeric	ADJ
eurjchem-2673	144	7	units	unit	NOUN
eurjchem-2673	144	8	that	that	PRON
eurjchem-2673	144	9	are	be	AUX
eurjchem-2673	144	10	formed	form	VERB
eurjchem-2673	144	11	by	by	ADP
eurjchem-2673	144	12	hydrogen	hydrogen	NOUN
eurjchem-2673	144	13	bonds	bond	NOUN
eurjchem-2673	144	14	between	between	ADP
eurjchem-2673	144	15	the	the	DET
eurjchem-2673	144	16	c	c	PROPN
eurjchem-2673	144	17	-	-	PUNCT
eurjchem-2673	144	18	h∙∙∙o	h∙∙∙o	PROPN
eurjchem-2673	144	19	and	and	CCONJ
eurjchem-2673	144	20	n	n	CCONJ
eurjchem-2673	144	21	-	-	PUNCT
eurjchem-2673	144	22	h∙∙∙n	h∙∙∙n	NOUN
eurjchem-2673	144	23	in	in	ADP
eurjchem-2673	144	24	the	the	DET
eurjchem-2673	144	25	picrate	picrate	ADJ
eurjchem-2673	144	26	rings	ring	NOUN
eurjchem-2673	144	27	.	.	PUNCT
eurjchem-2673	145	1	these	these	DET
eurjchem-2673	145	2	dimeric	dimeric	ADJ
eurjchem-2673	145	3	units	unit	NOUN
eurjchem-2673	145	4	are	be	AUX
eurjchem-2673	145	5	then	then	ADV
eurjchem-2673	145	6	connected	connect	VERB
eurjchem-2673	145	7	by	by	ADP
eurjchem-2673	145	8	paired	pair	VERB
eurjchem-2673	145	9	c	c	PROPN
eurjchem-2673	145	10	-	-	PUNCT
eurjchem-2673	145	11	h∙∙∙o	h∙∙∙o	PROPN
eurjchem-2673	145	12	and	and	CCONJ
eurjchem-2673	145	13	n	n	CCONJ
eurjchem-2673	145	14	-	-	PUNCT
eurjchem-2673	145	15	h∙∙∙n	h∙∙∙n	NOUN
eurjchem-2673	145	16	hydrogen	hydrogen	NOUN
eurjchem-2673	145	17	bonds	bond	NOUN
eurjchem-2673	145	18	,	,	PUNCT
eurjchem-2673	145	19	forming	form	VERB
eurjchem-2673	145	20	sheets	sheet	NOUN
eurjchem-2673	145	21	along	along	ADP
eurjchem-2673	145	22	the	the	DET
eurjchem-2673	145	23	a	a	DET
eurjchem-2673	145	24	-	-	PUNCT
eurjchem-2673	145	25	axis	axis	NOUN
eurjchem-2673	145	26	,	,	PUNCT
eurjchem-2673	145	27	as	as	SCONJ
eurjchem-2673	145	28	shown	show	VERB
eurjchem-2673	145	29	in	in	ADP
eurjchem-2673	145	30	figure	figure	NOUN
eurjchem-2673	145	31	4	4	NUM
eurjchem-2673	145	32	.	.	ADP
eurjchem-2673	145	33	3.3	3.3	NUM
eurjchem-2673	145	34	.	.	PUNCT
eurjchem-2673	146	1	ft	ft	PROPN
eurjchem-2673	146	2	-	-	PUNCT
eurjchem-2673	146	3	ir	ir	PROPN
eurjchem-2673	146	4	and	and	CCONJ
eurjchem-2673	146	5	raman	raman	VERB
eurjchem-2673	146	6	spectral	spectral	ADJ
eurjchem-2673	146	7	analysis	analysis	NOUN
eurjchem-2673	146	8	ft	ft	PROPN
eurjchem-2673	146	9	-	-	PUNCT
eurjchem-2673	146	10	ir	ir	PROPN
eurjchem-2673	146	11	spectra	spectra	NOUN
eurjchem-2673	146	12	confirm	confirm	VERB
eurjchem-2673	146	13	the	the	DET
eurjchem-2673	146	14	presence	presence	NOUN
eurjchem-2673	146	15	of	of	ADP
eurjchem-2673	146	16	various	various	ADJ
eurjchem-2673	146	17	functional	functional	ADJ
eurjchem-2673	146	18	groups	group	NOUN
eurjchem-2673	146	19	and	and	CCONJ
eurjchem-2673	146	20	chemical	chemical	NOUN
eurjchem-2673	146	21	bonds	bond	NOUN
eurjchem-2673	146	22	such	such	ADJ
eurjchem-2673	146	23	as	as	ADP
eurjchem-2673	146	24	hydrogen	hydrogen	NOUN
eurjchem-2673	146	25	bonds	bond	NOUN
eurjchem-2673	146	26	in	in	ADP
eurjchem-2673	146	27	the	the	DET
eurjchem-2673	146	28	compounds	compound	NOUN
eurjchem-2673	146	29	.	.	PUNCT
eurjchem-2673	147	1	in	in	ADP
eurjchem-2673	147	2	the	the	DET
eurjchem-2673	147	3	ft	ft	PROPN
eurjchem-2673	147	4	-	-	PUNCT
eurjchem-2673	147	5	ir	ir	NOUN
eurjchem-2673	147	6	spectrum	spectrum	NOUN
eurjchem-2673	147	7	,	,	PUNCT
eurjchem-2673	147	8	some	some	DET
eurjchem-2673	147	9	functional	functional	ADJ
eurjchem-2673	147	10	groups	group	NOUN
eurjchem-2673	147	11	have	have	AUX
eurjchem-2673	147	12	disappeared	disappear	VERB
eurjchem-2673	147	13	,	,	PUNCT
eurjchem-2673	147	14	while	while	SCONJ
eurjchem-2673	147	15	others	other	NOUN
eurjchem-2673	147	16	have	have	AUX
eurjchem-2673	147	17	appeared	appear	VERB
eurjchem-2673	147	18	due	due	ADJ
eurjchem-2673	147	19	to	to	ADP
eurjchem-2673	147	20	picrate	picrate	ADJ
eurjchem-2673	147	21	salts	salt	NOUN
eurjchem-2673	147	22	(	(	PUNCT
eurjchem-2673	147	23	figure	figure	NOUN
eurjchem-2673	147	24	5	5	NUM
eurjchem-2673	147	25	)	)	PUNCT
eurjchem-2673	147	26	.	.	PUNCT
eurjchem-2673	148	1	122	122	NUM
eurjchem-2673	148	2	aydin	aydin	NOUN
eurjchem-2673	148	3	and	and	CCONJ
eurjchem-2673	148	4	kiraz	kiraz	PROPN
eurjchem-2673	148	5	/	/	SYM
eurjchem-2673	148	6	european	european	PROPN
eurjchem-2673	148	7	journal	journal	PROPN
eurjchem-2673	148	8	of	of	ADP
eurjchem-2673	148	9	chemistry	chemistry	NOUN
eurjchem-2673	148	10	16	16	NUM
eurjchem-2673	148	11	(	(	PUNCT
eurjchem-2673	148	12	2	2	NUM
eurjchem-2673	148	13	)	)	PUNCT
eurjchem-2673	148	14	(	(	PUNCT
eurjchem-2673	148	15	2025	2025	NUM
eurjchem-2673	148	16	)	)	PUNCT
eurjchem-2673	148	17	117	117	NUM
eurjchem-2673	148	18	-	-	SYM
eurjchem-2673	148	19	128	128	NUM
eurjchem-2673	148	20	2025	2025	NUM
eurjchem-2673	148	21	–	–	PUNCT
eurjchem-2673	148	22	european	european	ADJ
eurjchem-2673	148	23	journal	journal	NOUN
eurjchem-2673	148	24	of	of	ADP
eurjchem-2673	148	25	chemistry	chemistry	NOUN
eurjchem-2673	148	26	–	–	PUNCT
eurjchem-2673	148	27	cc	cc	NOUN
eurjchem-2673	148	28	by	by	ADP
eurjchem-2673	148	29	nc	nc	PROPN
eurjchem-2673	148	30	–	–	PUNCT
eurjchem-2673	148	31	doi	doi	NOUN
eurjchem-2673	148	32	:	:	PUNCT
eurjchem-2673	148	33	10.5155	10.5155	NUM
eurjchem-2673	148	34	/	/	SYM
eurjchem-2673	148	35	eurjchem.16.2.117	eurjchem.16.2.117	VERB
eurjchem-2673	148	36	-	-	SYM
eurjchem-2673	148	37	128.2673	128.2673	NUM
eurjchem-2673	148	38	figure	figure	NOUN
eurjchem-2673	148	39	5	5	NUM
eurjchem-2673	148	40	.	.	PUNCT
eurjchem-2673	148	41	ft	ft	PROPN
eurjchem-2673	148	42	-	-	PUNCT
eurjchem-2673	148	43	ir	ir	NOUN
eurjchem-2673	148	44	spectrum	spectrum	NOUN
eurjchem-2673	148	45	of	of	ADP
eurjchem-2673	148	46	2-(pyridine-2	2-(pyridine-2	PROPN
eurjchem-2673	148	47	-	-	PUNCT
eurjchem-2673	148	48	ylthio)pyridine-1	ylthio)pyridine-1	NOUN
eurjchem-2673	148	49	-	-	PUNCT
eurjchem-2673	148	50	ium	ium	NOUN
eurjchem-2673	148	51	picrate	picrate	NOUN
eurjchem-2673	148	52	(	(	PUNCT
eurjchem-2673	148	53	2	2	NUM
eurjchem-2673	148	54	-	-	PUNCT
eurjchem-2673	148	55	pyrtppc	pyrtppc	NOUN
eurjchem-2673	148	56	)	)	PUNCT
eurjchem-2673	148	57	,	,	PUNCT
eurjchem-2673	148	58	2	2	NUM
eurjchem-2673	148	59	-	-	PUNCT
eurjchem-2673	148	60	mercaptopyridine	mercaptopyridine	NOUN
eurjchem-2673	148	61	,	,	PUNCT
eurjchem-2673	148	62	2,4,6	2,4,6	NUM
eurjchem-2673	148	63	-	-	NOUN
eurjchem-2673	148	64	trinitrophenol	trinitrophenol	NOUN
eurjchem-2673	148	65	(	(	PUNCT
eurjchem-2673	148	66	picric	picric	ADJ
eurjchem-2673	148	67	acid	acid	NOUN
eurjchem-2673	148	68	)	)	PUNCT
eurjchem-2673	148	69	(	(	PUNCT
eurjchem-2673	148	70	red	red	ADJ
eurjchem-2673	148	71	,	,	PUNCT
eurjchem-2673	148	72	blue	blue	ADJ
eurjchem-2673	148	73	,	,	PUNCT
eurjchem-2673	148	74	and	and	CCONJ
eurjchem-2673	148	75	green	green	ADJ
eurjchem-2673	148	76	line	line	NOUN
eurjchem-2673	148	77	,	,	PUNCT
eurjchem-2673	148	78	respectively	respectively	ADV
eurjchem-2673	148	79	)	)	PUNCT
eurjchem-2673	148	80	.	.	PUNCT
eurjchem-2673	149	1	figure	figure	VERB
eurjchem-2673	149	2	6	6	NUM
eurjchem-2673	149	3	.	.	PUNCT
eurjchem-2673	149	4	raman	raman	NOUN
eurjchem-2673	149	5	spectrum	spectrum	NOUN
eurjchem-2673	149	6	of	of	ADP
eurjchem-2673	149	7	the	the	DET
eurjchem-2673	149	8	title	title	NOUN
eurjchem-2673	149	9	compound	compound	NOUN
eurjchem-2673	149	10	,	,	PUNCT
eurjchem-2673	149	11	2	2	NUM
eurjchem-2673	149	12	-	-	PUNCT
eurjchem-2673	149	13	pyrtppc	pyrtppc	NOUN
eurjchem-2673	149	14	.	.	PUNCT
eurjchem-2673	150	1	the	the	DET
eurjchem-2673	150	2	experimental	experimental	ADJ
eurjchem-2673	150	3	characteristic	characteristic	ADJ
eurjchem-2673	150	4	ft	ft	PROPN
eurjchem-2673	150	5	-	-	PUNCT
eurjchem-2673	150	6	ir	ir	PROPN
eurjchem-2673	150	7	and	and	CCONJ
eurjchem-2673	150	8	raman	raman	ADJ
eurjchem-2673	150	9	spectra	spectra	NOUN
eurjchem-2673	150	10	along	along	ADP
eurjchem-2673	150	11	with	with	ADP
eurjchem-2673	150	12	the	the	DET
eurjchem-2673	150	13	calculated	calculate	VERB
eurjchem-2673	150	14	(	(	PUNCT
eurjchem-2673	150	15	dft	dft	PROPN
eurjchem-2673	150	16	,	,	PUNCT
eurjchem-2673	150	17	b3lyp	b3lyp	X
eurjchem-2673	150	18	method	method	NOUN
eurjchem-2673	150	19	at	at	ADP
eurjchem-2673	150	20	6	6	NUM
eurjchem-2673	150	21	-	-	SYM
eurjchem-2673	150	22	311g(d	311g(d	NUM
eurjchem-2673	150	23	,	,	PUNCT
eurjchem-2673	150	24	p	p	NOUN
eurjchem-2673	150	25	)	)	PUNCT
eurjchem-2673	150	26	level	level	NOUN
eurjchem-2673	150	27	)	)	PUNCT
eurjchem-2673	150	28	in	in	ADP
eurjchem-2673	150	29	the	the	DET
eurjchem-2673	150	30	gas	gas	NOUN
eurjchem-2673	150	31	-	-	PUNCT
eurjchem-2673	150	32	phase	phase	NOUN
eurjchem-2673	150	33	transmission	transmission	NOUN
eurjchem-2673	150	34	spectra	spectra	NOUN
eurjchem-2673	150	35	of	of	ADP
eurjchem-2673	150	36	the	the	DET
eurjchem-2673	150	37	title	title	NOUN
eurjchem-2673	150	38	compound	compound	NOUN
eurjchem-2673	150	39	are	be	AUX
eurjchem-2673	150	40	shown	show	VERB
eurjchem-2673	150	41	in	in	ADP
eurjchem-2673	150	42	figures	figure	NOUN
eurjchem-2673	150	43	5	5	NUM
eurjchem-2673	150	44	-	-	SYM
eurjchem-2673	150	45	7	7	NUM
eurjchem-2673	150	46	.	.	PUNCT
eurjchem-2673	151	1	the	the	DET
eurjchem-2673	151	2	calculated	calculate	VERB
eurjchem-2673	151	3	wavenumbers	wavenumber	NOUN
eurjchem-2673	151	4	corresponding	correspond	VERB
eurjchem-2673	151	5	to	to	ADP
eurjchem-2673	151	6	the	the	DET
eurjchem-2673	151	7	normal	normal	ADJ
eurjchem-2673	151	8	modes	mode	NOUN
eurjchem-2673	151	9	of	of	ADP
eurjchem-2673	151	10	the	the	DET
eurjchem-2673	151	11	ft	ft	PROPN
eurjchem-2673	151	12	-	-	PUNCT
eurjchem-2673	151	13	ir	ir	PROPN
eurjchem-2673	151	14	spectra	spectra	NOUN
eurjchem-2673	151	15	are	be	AUX
eurjchem-2673	151	16	listed	list	VERB
eurjchem-2673	151	17	in	in	ADP
eurjchem-2673	151	18	table	table	NOUN
eurjchem-2673	151	19	4	4	NUM
eurjchem-2673	151	20	.	.	PUNCT
eurjchem-2673	151	21	protonation	protonation	NOUN
eurjchem-2673	151	22	of	of	ADP
eurjchem-2673	151	23	pyridine	pyridine	ADJ
eurjchem-2673	151	24	nitrogen	nitrogen	NOUN
eurjchem-2673	151	25	to	to	PART
eurjchem-2673	151	26	form	form	VERB
eurjchem-2673	151	27	the	the	DET
eurjchem-2673	151	28	pyridinium	pyridinium	NOUN
eurjchem-2673	151	29	salt	salt	NOUN
eurjchem-2673	151	30	gives	give	VERB
eurjchem-2673	151	31	rise	rise	NOUN
eurjchem-2673	151	32	to	to	ADP
eurjchem-2673	151	33	several	several	ADJ
eurjchem-2673	151	34	bands	band	NOUN
eurjchem-2673	151	35	from	from	ADP
eurjchem-2673	151	36	the	the	DET
eurjchem-2673	151	37	n+-h	n+-h	PROPN
eurjchem-2673	151	38	stretching	stretch	VERB
eurjchem-2673	151	39	between	between	ADP
eurjchem-2673	151	40	3300	3300	NUM
eurjchem-2673	151	41	and	and	CCONJ
eurjchem-2673	151	42	1950	1950	NUM
eurjchem-2673	151	43	cm-1	cm-1	NOUN
eurjchem-2673	151	44	that	that	PRON
eurjchem-2673	151	45	have	have	VERB
eurjchem-2673	151	46	moderate	moderate	ADJ
eurjchem-2673	151	47	ir	ir	PROPN
eurjchem-2673	151	48	intensity	intensity	NOUN
eurjchem-2673	151	49	,	,	PUNCT
eurjchem-2673	151	50	but	but	CCONJ
eurjchem-2673	151	51	are	be	AUX
eurjchem-2673	151	52	weak	weak	ADJ
eurjchem-2673	151	53	in	in	ADP
eurjchem-2673	151	54	the	the	DET
eurjchem-2673	151	55	raman	raman	NOUN
eurjchem-2673	151	56	spectrum	spectrum	NOUN
eurjchem-2673	151	57	.	.	PUNCT
eurjchem-2673	152	1	due	due	ADP
eurjchem-2673	152	2	to	to	ADP
eurjchem-2673	152	3	the	the	DET
eurjchem-2673	152	4	strong	strong	ADJ
eurjchem-2673	152	5	intermolecular	intermolecular	ADJ
eurjchem-2673	152	6	hydrogen	hydrogen	NOUN
eurjchem-2673	152	7	bond	bond	NOUN
eurjchem-2673	152	8	between	between	ADP
eurjchem-2673	152	9	the	the	DET
eurjchem-2673	152	10	nitrogen	nitrogen	NOUN
eurjchem-2673	152	11	atoms	atom	NOUN
eurjchem-2673	152	12	of	of	ADP
eurjchem-2673	152	13	the	the	DET
eurjchem-2673	152	14	other	other	ADJ
eurjchem-2673	152	15	pyridine	pyridine	NOUN
eurjchem-2673	152	16	,	,	PUNCT
eurjchem-2673	152	17	the	the	DET
eurjchem-2673	152	18	characteristic	characteristic	ADJ
eurjchem-2673	152	19	peak	peak	NOUN
eurjchem-2673	152	20	of	of	ADP
eurjchem-2673	152	21	the	the	DET
eurjchem-2673	152	22	n+-h	n+-h	PROPN
eurjchem-2673	152	23	group	group	NOUN
eurjchem-2673	152	24	was	be	AUX
eurjchem-2673	152	25	observed	observe	VERB
eurjchem-2673	152	26	in	in	ADP
eurjchem-2673	152	27	the	the	DET
eurjchem-2673	152	28	vibrational	vibrational	ADJ
eurjchem-2673	152	29	spectra	spectra	NOUN
eurjchem-2673	152	30	of	of	ADP
eurjchem-2673	152	31	the	the	DET
eurjchem-2673	152	32	pyridinium	pyridinium	NOUN
eurjchem-2673	152	33	moiety	moiety	NOUN
eurjchem-2673	152	34	at	at	ADP
eurjchem-2673	152	35	3471	3471	NUM
eurjchem-2673	152	36	and	and	CCONJ
eurjchem-2673	152	37	3443	3443	NUM
eurjchem-2673	152	38	cm-1	cm-1	X
eurjchem-2673	153	1	[	[	X
eurjchem-2673	153	2	34	34	NUM
eurjchem-2673	153	3	]	]	PUNCT
eurjchem-2673	153	4	.	.	PUNCT
eurjchem-2673	154	1	in	in	ADP
eurjchem-2673	154	2	the	the	DET
eurjchem-2673	154	3	raman	raman	NOUN
eurjchem-2673	154	4	spectrum	spectrum	NOUN
eurjchem-2673	154	5	,	,	PUNCT
eurjchem-2673	154	6	these	these	DET
eurjchem-2673	154	7	peaks	peak	NOUN
eurjchem-2673	154	8	do	do	AUX
eurjchem-2673	154	9	not	not	PART
eurjchem-2673	154	10	appear	appear	VERB
eurjchem-2673	154	11	very	very	ADV
eurjchem-2673	154	12	prominent	prominent	ADJ
eurjchem-2673	154	13	(	(	PUNCT
eurjchem-2673	154	14	figure	figure	NOUN
eurjchem-2673	154	15	7	7	NUM
eurjchem-2673	154	16	)	)	PUNCT
eurjchem-2673	154	17	.	.	PUNCT
eurjchem-2673	155	1	the	the	DET
eurjchem-2673	155	2	c	c	NOUN
eurjchem-2673	155	3	-	-	PUNCT
eurjchem-2673	155	4	h	h	NOUN
eurjchem-2673	155	5	vibrations	vibration	NOUN
eurjchem-2673	155	6	cover	cover	VERB
eurjchem-2673	155	7	the	the	DET
eurjchem-2673	155	8	asymmetric	asymmetric	ADJ
eurjchem-2673	155	9	and	and	CCONJ
eurjchem-2673	155	10	symmetric	symmetric	ADJ
eurjchem-2673	155	11	stretching	stretching	NOUN
eurjchem-2673	155	12	modes	mode	NOUN
eurjchem-2673	155	13	of	of	ADP
eurjchem-2673	155	14	two	two	NUM
eurjchem-2673	155	15	different	different	ADJ
eurjchem-2673	155	16	pyridine	pyridine	NOUN
eurjchem-2673	155	17	rings	ring	NOUN
eurjchem-2673	155	18	in	in	ADP
eurjchem-2673	155	19	the	the	DET
eurjchem-2673	155	20	phenolic	phenolic	ADJ
eurjchem-2673	155	21	group	group	NOUN
eurjchem-2673	155	22	.	.	PUNCT
eurjchem-2673	156	1	absorption	absorption	NOUN
eurjchem-2673	156	2	above	above	ADP
eurjchem-2673	156	3	3000	3000	NUM
eurjchem-2673	156	4	cm-1(3369	cm-1(3369	NOUN
eurjchem-2673	156	5	,	,	PUNCT
eurjchem-2673	156	6	3314	3314	NUM
eurjchem-2673	156	7	,	,	PUNCT
eurjchem-2673	156	8	and	and	CCONJ
eurjchem-2673	156	9	3213	3213	NUM
eurjchem-2673	156	10	cm-1	cm-1	NOUN
eurjchem-2673	156	11	)	)	PUNCT
eurjchem-2673	156	12	is	be	AUX
eurjchem-2673	156	13	attributed	attribute	VERB
eurjchem-2673	156	14	to	to	ADP
eurjchem-2673	156	15	the	the	DET
eurjchem-2673	156	16	stretching	stretch	VERB
eurjchem-2673	156	17	vibrations	vibration	NOUN
eurjchem-2673	156	18	of	of	ADP
eurjchem-2673	156	19	ν(cring	ν(cre	VERB
eurjchem-2673	156	20	-	-	PUNCT
eurjchem-2673	156	21	h	h	NOUN
eurjchem-2673	156	22	)	)	PUNCT
eurjchem-2673	156	23	of	of	ADP
eurjchem-2673	156	24	the	the	DET
eurjchem-2673	156	25	aromatic	aromatic	ADJ
eurjchem-2673	156	26	rings	ring	NOUN
eurjchem-2673	156	27	,	,	PUNCT
eurjchem-2673	156	28	such	such	ADJ
eurjchem-2673	156	29	as	as	ADP
eurjchem-2673	156	30	pyridinium	pyridinium	NOUN
eurjchem-2673	156	31	rings	ring	NOUN
eurjchem-2673	156	32	and	and	CCONJ
eurjchem-2673	156	33	phenolic	phenolic	NOUN
eurjchem-2673	156	34	rings	ring	NOUN
eurjchem-2673	156	35	[	[	X
eurjchem-2673	156	36	35	35	NUM
eurjchem-2673	156	37	]	]	PUNCT
eurjchem-2673	156	38	.	.	PUNCT
eurjchem-2673	157	1	the	the	DET
eurjchem-2673	157	2	calculated	calculated	ADJ
eurjchem-2673	157	3	infrared	infrared	ADJ
eurjchem-2673	157	4	stretching	stretch	VERB
eurjchem-2673	157	5	vibrations	vibration	NOUN
eurjchem-2673	157	6	of	of	ADP
eurjchem-2673	157	7	the	the	DET
eurjchem-2673	157	8	c	c	NOUN
eurjchem-2673	157	9	-	-	PUNCT
eurjchem-2673	157	10	h	h	NOUN
eurjchem-2673	157	11	bond	bond	NOUN
eurjchem-2673	157	12	of	of	ADP
eurjchem-2673	157	13	the	the	DET
eurjchem-2673	157	14	aromatic	aromatic	ADJ
eurjchem-2673	157	15	ring	ring	NOUN
eurjchem-2673	157	16	are	be	AUX
eurjchem-2673	157	17	around	around	ADV
eurjchem-2673	157	18	2970	2970	NUM
eurjchem-2673	157	19	-	-	SYM
eurjchem-2673	157	20	2880	2880	NUM
eurjchem-2673	157	21	cm-1	cm-1	NOUN
eurjchem-2673	157	22	,	,	PUNCT
eurjchem-2673	157	23	whereas	whereas	SCONJ
eurjchem-2673	157	24	these	these	DET
eurjchem-2673	157	25	peaks	peak	NOUN
eurjchem-2673	157	26	of	of	ADP
eurjchem-2673	157	27	the	the	DET
eurjchem-2673	157	28	experimental	experimental	ADJ
eurjchem-2673	157	29	spectrum	spectrum	NOUN
eurjchem-2673	157	30	appear	appear	VERB
eurjchem-2673	157	31	around	around	ADP
eurjchem-2673	157	32	3085	3085	NUM
eurjchem-2673	157	33	-	-	SYM
eurjchem-2673	157	34	2999	2999	NUM
eurjchem-2673	157	35	and	and	CCONJ
eurjchem-2673	157	36	3000	3000	NUM
eurjchem-2673	157	37	cm-1	cm-1	NOUN
eurjchem-2673	157	38	,	,	PUNCT
eurjchem-2673	157	39	respectively	respectively	ADV
eurjchem-2673	157	40	[	[	X
eurjchem-2673	157	41	36	36	NUM
eurjchem-2673	157	42	]	]	PUNCT
eurjchem-2673	157	43	.	.	PUNCT
eurjchem-2673	158	1	in	in	ADP
eurjchem-2673	158	2	addition	addition	NOUN
eurjchem-2673	158	3	,	,	PUNCT
eurjchem-2673	158	4	the	the	DET
eurjchem-2673	158	5	symmetric	symmetric	ADJ
eurjchem-2673	158	6	and	and	CCONJ
eurjchem-2673	158	7	asymmetric	asymmetric	ADJ
eurjchem-2673	158	8	stretching	stretch	VERB
eurjchem-2673	158	9	vibrations	vibration	NOUN
eurjchem-2673	158	10	of	of	ADP
eurjchem-2673	158	11	the	the	DET
eurjchem-2673	158	12	c	c	PROPN
eurjchem-2673	158	13	-	-	PUNCT
eurjchem-2673	158	14	s	s	NOUN
eurjchem-2673	158	15	bond	bond	NOUN
eurjchem-2673	158	16	of	of	ADP
eurjchem-2673	158	17	the	the	DET
eurjchem-2673	158	18	aromatic	aromatic	ADJ
eurjchem-2673	158	19	thioether	thioether	ADJ
eurjchem-2673	158	20	moiety	moiety	NOUN
eurjchem-2673	158	21	of	of	ADP
eurjchem-2673	158	22	the	the	DET
eurjchem-2673	158	23	title	title	NOUN
eurjchem-2673	158	24	compound	compound	NOUN
eurjchem-2673	158	25	,	,	PUNCT
eurjchem-2673	158	26	which	which	PRON
eurjchem-2673	158	27	are	be	AUX
eurjchem-2673	158	28	experimentally	experimentally	ADV
eurjchem-2673	158	29	found	find	VERB
eurjchem-2673	158	30	at	at	ADP
eurjchem-2673	158	31	771	771	NUM
eurjchem-2673	158	32	,	,	PUNCT
eurjchem-2673	158	33	738	738	NUM
eurjchem-2673	158	34	,	,	PUNCT
eurjchem-2673	158	35	and	and	CCONJ
eurjchem-2673	158	36	707	707	NUM
eurjchem-2673	158	37	cm-1	cm-1	NOUN
eurjchem-2673	158	38	,	,	PUNCT
eurjchem-2673	158	39	are	be	AUX
eurjchem-2673	158	40	attributed	attribute	VERB
eurjchem-2673	158	41	to	to	ADP
eurjchem-2673	158	42	the	the	DET
eurjchem-2673	158	43	calculated	calculate	VERB
eurjchem-2673	158	44	peaks	peak	NOUN
eurjchem-2673	158	45	at	at	ADP
eurjchem-2673	158	46	734	734	NUM
eurjchem-2673	158	47	,	,	PUNCT
eurjchem-2673	158	48	712	712	NUM
eurjchem-2673	158	49	,	,	PUNCT
eurjchem-2673	158	50	and	and	CCONJ
eurjchem-2673	158	51	486	486	NUM
eurjchem-2673	158	52	cm-1	cm-1	NOUN
eurjchem-2673	158	53	,	,	PUNCT
eurjchem-2673	158	54	respectively	respectively	ADV
eurjchem-2673	158	55	[	[	X
eurjchem-2673	158	56	37	37	NUM
eurjchem-2673	158	57	]	]	PUNCT
eurjchem-2673	158	58	.	.	PUNCT
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eurjchem-2673	159	2	the	the	DET
eurjchem-2673	159	3	other	other	ADJ
eurjchem-2673	159	4	hand	hand	NOUN
eurjchem-2673	159	5	,	,	PUNCT
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eurjchem-2673	159	10	stretching	stretch	VERB
eurjchem-2673	159	11	vibrations	vibration	NOUN
eurjchem-2673	159	12	of	of	ADP
eurjchem-2673	159	13	the	the	DET
eurjchem-2673	159	14	no2	no2	NOUN
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eurjchem-2673	159	18	picrate	picrate	ADJ
eurjchem-2673	159	19	anion	anion	NOUN
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eurjchem-2673	159	23	the	the	DET
eurjchem-2673	159	24	sharp	sharp	ADJ
eurjchem-2673	159	25	bands	band	NOUN
eurjchem-2673	159	26	that	that	PRON
eurjchem-2673	159	27	appear	appear	VERB
eurjchem-2673	159	28	experimentally	experimentally	ADV
eurjchem-2673	159	29	at	at	ADP
eurjchem-2673	159	30	1487	1487	NUM
eurjchem-2673	159	31	-	-	SYM
eurjchem-2673	159	32	1422	1422	NUM
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eurjchem-2673	159	35	the	the	DET
eurjchem-2673	159	36	ft	ft	PROPN
eurjchem-2673	159	37	-	-	PUNCT
eurjchem-2673	159	38	ir	ir	NOUN
eurjchem-2673	159	39	and	and	CCONJ
eurjchem-2673	159	40	at	at	ADP
eurjchem-2673	159	41	1481	1481	NUM
eurjchem-2673	159	42	and	and	CCONJ
eurjchem-2673	159	43	1446	1446	NUM
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eurjchem-2673	159	48	spectra	spectra	NOUN
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eurjchem-2673	160	3	]	]	PUNCT
eurjchem-2673	160	4	.	.	PUNCT
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eurjchem-2673	161	2	comparison	comparison	NOUN
eurjchem-2673	161	3	between	between	ADP
eurjchem-2673	161	4	raman	raman	NOUN
eurjchem-2673	161	5	and	and	CCONJ
eurjchem-2673	161	6	ir	ir	PROPN
eurjchem-2673	161	7	spectra	spectra	NOUN
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eurjchem-2673	161	10	vibrational	vibrational	ADJ
eurjchem-2673	161	11	modes	mode	NOUN
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eurjchem-2673	161	13	the	the	DET
eurjchem-2673	161	14	title	title	NOUN
eurjchem-2673	161	15	compound	compound	NOUN
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eurjchem-2673	162	9	732	732	NUM
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eurjchem-2673	162	45	nitro	nitro	NOUN
eurjchem-2673	162	46	groups	group	NOUN
eurjchem-2673	162	47	,	,	PUNCT
eurjchem-2673	162	48	respectively	respectively	ADV
eurjchem-2673	162	49	[	[	X
eurjchem-2673	162	50	39	39	NUM
eurjchem-2673	162	51	]	]	PUNCT
eurjchem-2673	162	52	.	.	PUNCT
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eurjchem-2673	163	2	assignments	assignment	NOUN
eurjchem-2673	163	3	are	be	AUX
eurjchem-2673	163	4	very	very	ADV
eurjchem-2673	163	5	characteristic	characteristic	ADJ
eurjchem-2673	163	6	of	of	ADP
eurjchem-2673	163	7	the	the	DET
eurjchem-2673	163	8	picrate	picrate	ADJ
eurjchem-2673	163	9	anion	anion	NOUN
eurjchem-2673	163	10	.	.	PUNCT
eurjchem-2673	164	1	these	these	DET
eurjchem-2673	164	2	assignments	assignment	NOUN
eurjchem-2673	164	3	are	be	AUX
eurjchem-2673	164	4	very	very	ADV
eurjchem-2673	164	5	characteristic	characteristic	ADJ
eurjchem-2673	164	6	of	of	ADP
eurjchem-2673	164	7	picrate	picrate	ADJ
eurjchem-2673	164	8	anions	anion	NOUN
eurjchem-2673	164	9	[	[	X
eurjchem-2673	164	10	40	40	NUM
eurjchem-2673	164	11	]	]	PUNCT
eurjchem-2673	164	12	.	.	PUNCT
eurjchem-2673	165	1	the	the	DET
eurjchem-2673	165	2	experimental	experimental	ADJ
eurjchem-2673	165	3	and	and	CCONJ
eurjchem-2673	165	4	the	the	DET
eurjchem-2673	165	5	calculated	calculated	ADJ
eurjchem-2673	165	6	vibrational	vibrational	ADJ
eurjchem-2673	165	7	frequencies	frequency	NOUN
eurjchem-2673	165	8	agree	agree	VERB
eurjchem-2673	165	9	well	well	ADV
eurjchem-2673	165	10	and	and	CCONJ
eurjchem-2673	165	11	confirm	confirm	VERB
eurjchem-2673	165	12	the	the	DET
eurjchem-2673	165	13	formation	formation	NOUN
eurjchem-2673	165	14	of	of	ADP
eurjchem-2673	165	15	the	the	DET
eurjchem-2673	165	16	structure	structure	NOUN
eurjchem-2673	165	17	of	of	ADP
eurjchem-2673	165	18	the	the	DET
eurjchem-2673	165	19	title	title	NOUN
eurjchem-2673	165	20	compound	compound	NOUN
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eurjchem-2673	166	1	30	30	NUM
eurjchem-2673	166	2	40	40	NUM
eurjchem-2673	166	3	50	50	NUM
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eurjchem-2673	166	5	70	70	NUM
eurjchem-2673	166	6	80	80	NUM
eurjchem-2673	166	7	90	90	NUM
eurjchem-2673	166	8	100	100	NUM
eurjchem-2673	166	9	65010501450185022502650305034503850	65010501450185022502650305034503850	NUM
eurjchem-2673	166	10	%	%	NOUN
eurjchem-2673	166	11	t	t	PROPN
eurjchem-2673	166	12	ra	ra	PROPN
eurjchem-2673	167	1	ns	ns	INTJ
eurjchem-2673	167	2	m	m	PROPN
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eurjchem-2673	167	4	an	an	DET
eurjchem-2673	167	5	ce	ce	PROPN
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eurjchem-2673	167	7	(	(	PUNCT
eurjchem-2673	167	8	cm-1	cm-1	NOUN
eurjchem-2673	167	9	)	)	PUNCT
eurjchem-2673	167	10	aydin	aydin	NOUN
eurjchem-2673	167	11	and	and	CCONJ
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eurjchem-2673	167	13	/	/	SYM
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eurjchem-2673	167	17	chemistry	chemistry	NOUN
eurjchem-2673	167	18	16	16	NUM
eurjchem-2673	167	19	(	(	PUNCT
eurjchem-2673	167	20	2	2	NUM
eurjchem-2673	167	21	)	)	PUNCT
eurjchem-2673	167	22	(	(	PUNCT
eurjchem-2673	167	23	2025	2025	NUM
eurjchem-2673	167	24	)	)	PUNCT
eurjchem-2673	167	25	117	117	NUM
eurjchem-2673	167	26	-	-	SYM
eurjchem-2673	167	27	128	128	NUM
eurjchem-2673	167	28	123	123	NUM
eurjchem-2673	167	29	2025	2025	NUM
eurjchem-2673	167	30	–	–	PUNCT
eurjchem-2673	167	31	european	european	ADJ
eurjchem-2673	167	32	journal	journal	NOUN
eurjchem-2673	167	33	of	of	ADP
eurjchem-2673	167	34	chemistry	chemistry	NOUN
eurjchem-2673	167	35	–	–	PUNCT
eurjchem-2673	167	36	cc	cc	NOUN
eurjchem-2673	167	37	by	by	ADP
eurjchem-2673	167	38	nc	nc	PROPN
eurjchem-2673	167	39	–	–	PUNCT
eurjchem-2673	167	40	doi	doi	NOUN
eurjchem-2673	167	41	:	:	PUNCT
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eurjchem-2673	167	43	/	/	SYM
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eurjchem-2673	167	45	-	-	SYM
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eurjchem-2673	167	47	table	table	NOUN
eurjchem-2673	167	48	4	4	NUM
eurjchem-2673	167	49	.	.	PUNCT
eurjchem-2673	167	50	vibrational	vibrational	ADJ
eurjchem-2673	167	51	wavenumbers	wavenumber	NOUN
eurjchem-2673	167	52	of	of	ADP
eurjchem-2673	167	53	the	the	DET
eurjchem-2673	167	54	title	title	NOUN
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eurjchem-2673	167	59	pyrtppc	pyrtppc	NOUN
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eurjchem-2673	167	61	from	from	ADP
eurjchem-2673	167	62	b3lyp/6	b3lyp/6	PROPN
eurjchem-2673	167	63	-	-	NOUN
eurjchem-2673	167	64	311g(d	311g(d	NUM
eurjchem-2673	167	65	,	,	PUNCT
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eurjchem-2673	167	67	)	)	PUNCT
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eurjchem-2673	167	70	,	,	PUNCT
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eurjchem-2673	167	75	total	total	ADJ
eurjchem-2673	167	76	energy	energy	NOUN
eurjchem-2673	167	77	distribution	distribution	NOUN
eurjchem-2673	167	78	)	)	PUNCT
eurjchem-2673	167	79	.	.	PUNCT
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eurjchem-2673	168	6	assignment	assignment	NOUN
eurjchem-2673	168	7	[	[	X
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eurjchem-2673	168	9	]	]	X
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eurjchem-2673	168	20	)	)	PUNCT
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eurjchem-2673	168	33	)	)	PUNCT
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eurjchem-2673	168	46	%	%	NOUN
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eurjchem-2673	168	54	)	)	PUNCT
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eurjchem-2673	172	203	)	)	PUNCT
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eurjchem-2673	176	3	)	)	PUNCT
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eurjchem-2673	176	6	)	)	PUNCT
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eurjchem-2673	178	5	to	to	PART
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eurjchem-2673	178	8	stability	stability	NOUN
eurjchem-2673	178	9	and	and	CCONJ
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eurjchem-2673	178	25	detailed	detailed	ADJ
eurjchem-2673	178	26	analysis	analysis	NOUN
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eurjchem-2673	178	28	several	several	ADJ
eurjchem-2673	178	29	key	key	ADJ
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eurjchem-2673	179	1	among	among	ADP
eurjchem-2673	179	2	these	these	PRON
eurjchem-2673	179	3	,	,	PUNCT
eurjchem-2673	179	4	frontier	frontier	NOUN
eurjchem-2673	179	5	molecular	molecular	ADJ
eurjchem-2673	179	6	orbitals	orbital	NOUN
eurjchem-2673	179	7	(	(	PUNCT
eurjchem-2673	179	8	fmo	fmo	NOUN
eurjchem-2673	179	9	)	)	PUNCT
eurjchem-2673	179	10	are	be	AUX
eurjchem-2673	179	11	vital	vital	ADJ
eurjchem-2673	179	12	to	to	PART
eurjchem-2673	179	13	elucidate	elucidate	VERB
eurjchem-2673	179	14	the	the	DET
eurjchem-2673	179	15	electronic	electronic	ADJ
eurjchem-2673	179	16	structure	structure	NOUN
eurjchem-2673	179	17	of	of	ADP
eurjchem-2673	179	18	molecules	molecule	NOUN
eurjchem-2673	179	19	,	,	PUNCT
eurjchem-2673	179	20	as	as	SCONJ
eurjchem-2673	179	21	they	they	PRON
eurjchem-2673	179	22	represent	represent	VERB
eurjchem-2673	179	23	the	the	DET
eurjchem-2673	179	24	highest	high	ADJ
eurjchem-2673	179	25	occupied	occupy	VERB
eurjchem-2673	179	26	orbitals	orbital	NOUN
eurjchem-2673	179	27	(	(	PUNCT
eurjchem-2673	179	28	homo	homo	NOUN
eurjchem-2673	179	29	)	)	PUNCT
eurjchem-2673	179	30	and	and	CCONJ
eurjchem-2673	179	31	lowest	low	ADJ
eurjchem-2673	179	32	unoccupied	unoccupied	ADJ
eurjchem-2673	179	33	orbitals	orbital	NOUN
eurjchem-2673	179	34	(	(	PUNCT
eurjchem-2673	179	35	lumo	lumo	NOUN
eurjchem-2673	179	36	)	)	PUNCT
eurjchem-2673	179	37	involved	involve	VERB
eurjchem-2673	179	38	in	in	ADP
eurjchem-2673	179	39	chemical	chemical	ADJ
eurjchem-2673	179	40	bonding	bonding	NOUN
eurjchem-2673	179	41	and	and	CCONJ
eurjchem-2673	179	42	reactions	reaction	NOUN
eurjchem-2673	179	43	[	[	X
eurjchem-2673	179	44	41	41	NUM
eurjchem-2673	179	45	]	]	PUNCT
eurjchem-2673	179	46	.	.	PUNCT
eurjchem-2673	180	1	the	the	DET
eurjchem-2673	180	2	energy	energy	NOUN
eurjchem-2673	180	3	difference	difference	NOUN
eurjchem-2673	180	4	between	between	ADP
eurjchem-2673	180	5	these	these	DET
eurjchem-2673	180	6	orbitals	orbital	NOUN
eurjchem-2673	180	7	is	be	AUX
eurjchem-2673	180	8	critical	critical	ADJ
eurjchem-2673	180	9	,	,	PUNCT
eurjchem-2673	180	10	as	as	SCONJ
eurjchem-2673	180	11	it	it	PRON
eurjchem-2673	180	12	directly	directly	ADV
eurjchem-2673	180	13	influences	influence	VERB
eurjchem-2673	180	14	a	a	DET
eurjchem-2673	180	15	compound	compound	NOUN
eurjchem-2673	180	16	’s	’s	PART
eurjchem-2673	180	17	reactivity	reactivity	NOUN
eurjchem-2673	180	18	;	;	PUNCT
eurjchem-2673	180	19	narrower	narrow	ADJ
eurjchem-2673	180	20	gaps	gap	NOUN
eurjchem-2673	180	21	often	often	ADV
eurjchem-2673	180	22	correspond	correspond	VERB
eurjchem-2673	180	23	to	to	ADP
eurjchem-2673	180	24	increased	increase	VERB
eurjchem-2673	180	25	reactivity	reactivity	NOUN
eurjchem-2673	180	26	due	due	ADP
eurjchem-2673	180	27	to	to	ADP
eurjchem-2673	180	28	the	the	DET
eurjchem-2673	180	29	ease	ease	NOUN
eurjchem-2673	180	30	of	of	ADP
eurjchem-2673	180	31	electron	electron	NOUN
eurjchem-2673	180	32	excitation	excitation	NOUN
eurjchem-2673	180	33	[	[	X
eurjchem-2673	180	34	42	42	NUM
eurjchem-2673	180	35	]	]	PUNCT
eurjchem-2673	180	36	.	.	PUNCT
eurjchem-2673	181	1	hardness	hardness	PROPN
eurjchem-2673	181	2	refers	refer	VERB
eurjchem-2673	181	3	to	to	ADP
eurjchem-2673	181	4	the	the	DET
eurjchem-2673	181	5	resistance	resistance	NOUN
eurjchem-2673	181	6	of	of	ADP
eurjchem-2673	181	7	a	a	DET
eurjchem-2673	181	8	molecule	molecule	NOUN
eurjchem-2673	181	9	to	to	ADP
eurjchem-2673	181	10	deformation	deformation	NOUN
eurjchem-2673	181	11	and	and	CCONJ
eurjchem-2673	181	12	chemical	chemical	NOUN
eurjchem-2673	181	13	change	change	NOUN
eurjchem-2673	181	14	,	,	PUNCT
eurjchem-2673	181	15	while	while	SCONJ
eurjchem-2673	181	16	softness	softness	NOUN
eurjchem-2673	181	17	indicates	indicate	VERB
eurjchem-2673	181	18	a	a	DET
eurjchem-2673	181	19	tendency	tendency	NOUN
eurjchem-2673	181	20	to	to	PART
eurjchem-2673	181	21	engage	engage	VERB
eurjchem-2673	181	22	in	in	ADP
eurjchem-2673	181	23	chemical	chemical	ADJ
eurjchem-2673	181	24	interactions	interaction	NOUN
eurjchem-2673	182	1	[	[	X
eurjchem-2673	182	2	43	43	NUM
eurjchem-2673	182	3	]	]	PUNCT
eurjchem-2673	182	4	.	.	PUNCT
eurjchem-2673	183	1	these	these	DET
eurjchem-2673	183	2	characteristics	characteristic	NOUN
eurjchem-2673	183	3	provide	provide	VERB
eurjchem-2673	183	4	valuable	valuable	ADJ
eurjchem-2673	183	5	insights	insight	NOUN
eurjchem-2673	183	6	into	into	ADP
eurjchem-2673	183	7	the	the	DET
eurjchem-2673	183	8	anticipated	anticipate	VERB
eurjchem-2673	183	9	behavior	behavior	NOUN
eurjchem-2673	183	10	of	of	ADP
eurjchem-2673	183	11	compounds	compound	NOUN
eurjchem-2673	183	12	in	in	ADP
eurjchem-2673	183	13	various	various	ADJ
eurjchem-2673	183	14	chemical	chemical	ADJ
eurjchem-2673	183	15	environments	environment	NOUN
eurjchem-2673	183	16	.	.	PUNCT
eurjchem-2673	184	1	furthermore	furthermore	ADV
eurjchem-2673	184	2	,	,	PUNCT
eurjchem-2673	184	3	the	the	DET
eurjchem-2673	184	4	chemical	chemical	NOUN
eurjchem-2673	184	5	potential	potential	NOUN
eurjchem-2673	184	6	is	be	AUX
eurjchem-2673	184	7	analyzed	analyze	VERB
eurjchem-2673	184	8	to	to	PART
eurjchem-2673	184	9	understand	understand	VERB
eurjchem-2673	184	10	the	the	DET
eurjchem-2673	184	11	likelihood	likelihood	NOUN
eurjchem-2673	184	12	that	that	SCONJ
eurjchem-2673	184	13	a	a	DET
eurjchem-2673	184	14	compound	compound	NOUN
eurjchem-2673	184	15	changes	change	NOUN
eurjchem-2673	184	16	in	in	ADP
eurjchem-2673	184	17	response	response	NOUN
eurjchem-2673	184	18	to	to	ADP
eurjchem-2673	184	19	variations	variation	NOUN
eurjchem-2673	184	20	in	in	ADP
eurjchem-2673	184	21	external	external	ADJ
eurjchem-2673	184	22	conditions	condition	NOUN
eurjchem-2673	184	23	.	.	PUNCT
eurjchem-2673	185	1	this	this	DET
eurjchem-2673	185	2	potential	potential	NOUN
eurjchem-2673	185	3	illustrates	illustrate	VERB
eurjchem-2673	185	4	how	how	SCONJ
eurjchem-2673	185	5	a	a	DET
eurjchem-2673	185	6	substance	substance	NOUN
eurjchem-2673	185	7	interacts	interact	VERB
eurjchem-2673	185	8	with	with	ADP
eurjchem-2673	185	9	its	its	PRON
eurjchem-2673	185	10	environment	environment	NOUN
eurjchem-2673	185	11	,	,	PUNCT
eurjchem-2673	185	12	affecting	affect	VERB
eurjchem-2673	185	13	its	its	PRON
eurjchem-2673	185	14	stability	stability	NOUN
eurjchem-2673	185	15	and	and	CCONJ
eurjchem-2673	185	16	reactivity	reactivity	NOUN
eurjchem-2673	185	17	.	.	PUNCT
eurjchem-2673	186	1	these	these	DET
eurjchem-2673	186	2	comprehensive	comprehensive	ADJ
eurjchem-2673	186	3	analyzes	analyze	NOUN
eurjchem-2673	186	4	not	not	PART
eurjchem-2673	186	5	only	only	ADV
eurjchem-2673	186	6	improve	improve	VERB
eurjchem-2673	186	7	our	our	PRON
eurjchem-2673	186	8	understanding	understanding	NOUN
eurjchem-2673	186	9	of	of	ADP
eurjchem-2673	186	10	the	the	DET
eurjchem-2673	186	11	intrinsic	intrinsic	ADJ
eurjchem-2673	186	12	properties	property	NOUN
eurjchem-2673	186	13	of	of	ADP
eurjchem-2673	186	14	chemical	chemical	NOUN
eurjchem-2673	186	15	compounds	compound	NOUN
eurjchem-2673	186	16	,	,	PUNCT
eurjchem-2673	186	17	but	but	CCONJ
eurjchem-2673	186	18	also	also	ADV
eurjchem-2673	186	19	help	help	VERB
eurjchem-2673	186	20	predict	predict	VERB
eurjchem-2673	186	21	their	their	PRON
eurjchem-2673	186	22	behavior	behavior	NOUN
eurjchem-2673	186	23	in	in	ADP
eurjchem-2673	186	24	real	real	ADJ
eurjchem-2673	186	25	-	-	PUNCT
eurjchem-2673	186	26	world	world	NOUN
eurjchem-2673	186	27	applications	application	NOUN
eurjchem-2673	186	28	and	and	CCONJ
eurjchem-2673	186	29	reactions	reaction	NOUN
eurjchem-2673	186	30	under	under	ADP
eurjchem-2673	186	31	various	various	ADJ
eurjchem-2673	186	32	conditions	condition	NOUN
eurjchem-2673	186	33	[	[	X
eurjchem-2673	186	34	44	44	NUM
eurjchem-2673	186	35	]	]	PUNCT
eurjchem-2673	186	36	.	.	PUNCT
eurjchem-2673	187	1	the	the	DET
eurjchem-2673	187	2	energy	energy	NOUN
eurjchem-2673	187	3	difference	difference	NOUN
eurjchem-2673	187	4	between	between	ADP
eurjchem-2673	187	5	the	the	DET
eurjchem-2673	187	6	homo	homo	NOUN
eurjchem-2673	187	7	-	-	PUNCT
eurjchem-2673	187	8	lumo	lumo	NOUN
eurjchem-2673	187	9	orbitals	orbital	NOUN
eurjchem-2673	187	10	and	and	CCONJ
eurjchem-2673	187	11	other	other	ADJ
eurjchem-2673	187	12	global	global	ADJ
eurjchem-2673	187	13	reactivates	reactivate	VERB
eurjchem-2673	187	14	for	for	SCONJ
eurjchem-2673	187	15	the	the	DET
eurjchem-2673	187	16	title	title	NOUN
eurjchem-2673	187	17	compound	compound	NOUN
eurjchem-2673	187	18	was	be	AUX
eurjchem-2673	187	19	calculated	calculate	VERB
eurjchem-2673	187	20	in	in	ADP
eurjchem-2673	187	21	table	table	NOUN
eurjchem-2673	187	22	5	5	NUM
eurjchem-2673	187	23	.	.	PUNCT
eurjchem-2673	188	1	as	as	SCONJ
eurjchem-2673	188	2	can	can	AUX
eurjchem-2673	188	3	be	be	AUX
eurjchem-2673	188	4	seen	see	VERB
eurjchem-2673	188	5	from	from	ADP
eurjchem-2673	188	6	the	the	DET
eurjchem-2673	188	7	plot	plot	NOUN
eurjchem-2673	188	8	of	of	ADP
eurjchem-2673	188	9	the	the	DET
eurjchem-2673	188	10	homo	homo	NOUN
eurjchem-2673	188	11	level	level	NOUN
eurjchem-2673	188	12	,	,	PUNCT
eurjchem-2673	188	13	all	all	DET
eurjchem-2673	188	14	negative	negative	ADJ
eurjchem-2673	188	15	regions	region	NOUN
eurjchem-2673	188	16	are	be	AUX
eurjchem-2673	188	17	spread	spread	VERB
eurjchem-2673	188	18	over	over	ADP
eurjchem-2673	188	19	the	the	DET
eurjchem-2673	188	20	picrate	picrate	ADJ
eurjchem-2673	188	21	anion	anion	NOUN
eurjchem-2673	188	22	of	of	ADP
eurjchem-2673	188	23	the	the	DET
eurjchem-2673	188	24	title	title	NOUN
eurjchem-2673	188	25	molecule	molecule	NOUN
eurjchem-2673	188	26	.	.	PUNCT
eurjchem-2673	189	1	at	at	ADP
eurjchem-2673	189	2	the	the	DET
eurjchem-2673	189	3	lumo	lumo	ADJ
eurjchem-2673	189	4	level	level	NOUN
eurjchem-2673	189	5	,	,	PUNCT
eurjchem-2673	189	6	the	the	DET
eurjchem-2673	189	7	negative	negative	ADJ
eurjchem-2673	189	8	regions	region	NOUN
eurjchem-2673	189	9	are	be	AUX
eurjchem-2673	189	10	spread	spread	VERB
eurjchem-2673	189	11	over	over	ADP
eurjchem-2673	189	12	the	the	DET
eurjchem-2673	189	13	2-(pyridine-2	2-(pyridine-2	NUM
eurjchem-2673	189	14	-	-	PUNCT
eurjchem-2673	189	15	ylthio)-pyridine-1	ylthio)-pyridine-1	NOUN
eurjchem-2673	189	16	-	-	PROPN
eurjchem-2673	189	17	ium	ium	NOUN
eurjchem-2673	189	18	moiety	moiety	NOUN
eurjchem-2673	189	19	.	.	PUNCT
eurjchem-2673	190	1	the	the	DET
eurjchem-2673	190	2	atomic	atomic	ADJ
eurjchem-2673	190	3	orbital	orbital	ADJ
eurjchem-2673	190	4	compositions	composition	NOUN
eurjchem-2673	190	5	of	of	ADP
eurjchem-2673	190	6	the	the	DET
eurjchem-2673	190	7	molecular	molecular	ADJ
eurjchem-2673	190	8	orbitals	orbital	NOUN
eurjchem-2673	190	9	are	be	AUX
eurjchem-2673	190	10	shown	show	VERB
eurjchem-2673	190	11	in	in	ADP
eurjchem-2673	190	12	figure	figure	NOUN
eurjchem-2673	190	13	8	8	NUM
eurjchem-2673	190	14	.	.	PUNCT
eurjchem-2673	191	1	the	the	DET
eurjchem-2673	191	2	homo	homo	NOUN
eurjchem-2673	191	3	value	value	NOUN
eurjchem-2673	191	4	is	be	AUX
eurjchem-2673	191	5	-5.70	-5.70	NOUN
eurjchem-2673	191	6	ev	ev	ADP
eurjchem-2673	191	7	,	,	PUNCT
eurjchem-2673	191	8	while	while	SCONJ
eurjchem-2673	191	9	the	the	DET
eurjchem-2673	191	10	lumo	lumo	NOUN
eurjchem-2673	191	11	value	value	NOUN
eurjchem-2673	191	12	is	be	AUX
eurjchem-2673	191	13	-3.15	-3.15	NOUN
eurjchem-2673	191	14	ev	ev	NOUN
eurjchem-2673	191	15	,	,	PUNCT
eurjchem-2673	191	16	and	and	CCONJ
eurjchem-2673	191	17	the	the	DET
eurjchem-2673	191	18	δe	δe	ADJ
eurjchem-2673	191	19	value	value	NOUN
eurjchem-2673	191	20	calculated	calculate	VERB
eurjchem-2673	191	21	at	at	ADP
eurjchem-2673	191	22	the	the	DET
eurjchem-2673	191	23	dft	dft	NOUN
eurjchem-2673	191	24	level	level	NOUN
eurjchem-2673	191	25	is	be	AUX
eurjchem-2673	191	26	2.55	2.55	NUM
eurjchem-2673	191	27	ev	ev	NOUN
eurjchem-2673	191	28	.	.	PUNCT
eurjchem-2673	192	1	this	this	DET
eurjchem-2673	192	2	small	small	ADJ
eurjchem-2673	192	3	energy	energy	NOUN
eurjchem-2673	192	4	value	value	NOUN
eurjchem-2673	192	5	of	of	ADP
eurjchem-2673	192	6	the	the	DET
eurjchem-2673	192	7	title	title	NOUN
eurjchem-2673	192	8	compound	compound	NOUN
eurjchem-2673	192	9	explains	explain	VERB
eurjchem-2673	192	10	the	the	DET
eurjchem-2673	192	11	high	high	ADJ
eurjchem-2673	192	12	chemical	chemical	NOUN
eurjchem-2673	192	13	reactivity	reactivity	NOUN
eurjchem-2673	192	14	and	and	CCONJ
eurjchem-2673	192	15	the	the	DET
eurjchem-2673	192	16	low	low	ADJ
eurjchem-2673	192	17	kinetic	kinetic	ADJ
eurjchem-2673	192	18	stability	stability	NOUN
eurjchem-2673	192	19	due	due	ADP
eurjchem-2673	192	20	to	to	ADP
eurjchem-2673	192	21	the	the	DET
eurjchem-2673	192	22	narrow	narrow	ADJ
eurjchem-2673	192	23	energy	energy	NOUN
eurjchem-2673	192	24	space	space	NOUN
eurjchem-2673	192	25	of	of	ADP
eurjchem-2673	192	26	electronic	electronic	ADJ
eurjchem-2673	192	27	transitions	transition	NOUN
eurjchem-2673	192	28	[	[	X
eurjchem-2673	192	29	45,46	45,46	NOUN
eurjchem-2673	192	30	]	]	PUNCT
eurjchem-2673	192	31	.	.	PUNCT
eurjchem-2673	193	1	3.5	3.5	NUM
eurjchem-2673	193	2	.	.	PUNCT
eurjchem-2673	194	1	molecular	molecular	ADJ
eurjchem-2673	194	2	electrostatic	electrostatic	ADJ
eurjchem-2673	194	3	potential	potential	NOUN
eurjchem-2673	194	4	(	(	PUNCT
eurjchem-2673	194	5	mep	mep	PROPN
eurjchem-2673	194	6	)	)	PUNCT
eurjchem-2673	194	7	analysis	analysis	NOUN
eurjchem-2673	194	8	mep	mep	PROPN
eurjchem-2673	194	9	is	be	AUX
eurjchem-2673	194	10	used	use	VERB
eurjchem-2673	194	11	for	for	ADP
eurjchem-2673	194	12	prediction	prediction	NOUN
eurjchem-2673	194	13	by	by	ADP
eurjchem-2673	194	14	highlighting	highlight	VERB
eurjchem-2673	194	15	the	the	DET
eurjchem-2673	194	16	areas	area	NOUN
eurjchem-2673	194	17	of	of	ADP
eurjchem-2673	194	18	nucleophilic	nucleophilic	ADJ
eurjchem-2673	194	19	and	and	CCONJ
eurjchem-2673	194	20	electrophilic	electrophilic	ADJ
eurjchem-2673	194	21	attack	attack	NOUN
eurjchem-2673	194	22	depending	depend	VERB
eurjchem-2673	194	23	on	on	ADP
eurjchem-2673	194	24	the	the	DET
eurjchem-2673	194	25	electron	electron	NOUN
eurjchem-2673	194	26	densities	density	NOUN
eurjchem-2673	194	27	(	(	PUNCT
eurjchem-2673	194	28	ed	ed	NOUN
eurjchem-2673	194	29	)	)	PUNCT
eurjchem-2673	194	30	on	on	ADP
eurjchem-2673	194	31	the	the	DET
eurjchem-2673	194	32	molecule	molecule	NOUN
eurjchem-2673	194	33	.	.	PUNCT
eurjchem-2673	195	1	it	it	PRON
eurjchem-2673	195	2	also	also	ADV
eurjchem-2673	195	3	identifies	identify	VERB
eurjchem-2673	195	4	the	the	DET
eurjchem-2673	195	5	hydrogen	hydrogen	NOUN
eurjchem-2673	195	6	bond	bond	NOUN
eurjchem-2673	195	7	interaction	interaction	NOUN
eurjchem-2673	195	8	sites	site	NOUN
eurjchem-2673	195	9	[	[	X
eurjchem-2673	195	10	47	47	NUM
eurjchem-2673	195	11	]	]	PUNCT
eurjchem-2673	195	12	.	.	PUNCT
eurjchem-2673	196	1	the	the	DET
eurjchem-2673	196	2	electrophilic	electrophilic	ADJ
eurjchem-2673	196	3	and	and	CCONJ
eurjchem-2673	196	4	nucleophilic	nucleophilic	ADJ
eurjchem-2673	196	5	reactivity	reactivity	NOUN
eurjchem-2673	196	6	by	by	ADP
eurjchem-2673	196	7	the	the	DET
eurjchem-2673	196	8	map	map	NOUN
eurjchem-2673	196	9	of	of	ADP
eurjchem-2673	196	10	mep	mep	PROPN
eurjchem-2673	196	11	are	be	AUX
eurjchem-2673	196	12	represented	represent	VERB
eurjchem-2673	196	13	as	as	ADP
eurjchem-2673	196	14	different	different	ADJ
eurjchem-2673	196	15	colors	color	NOUN
eurjchem-2673	196	16	such	such	ADJ
eurjchem-2673	196	17	as	as	ADP
eurjchem-2673	196	18	blue	blue	ADJ
eurjchem-2673	196	19	,	,	PUNCT
eurjchem-2673	196	20	green	green	ADJ
eurjchem-2673	196	21	,	,	PUNCT
eurjchem-2673	196	22	and	and	CCONJ
eurjchem-2673	196	23	yellow	yellow	ADJ
eurjchem-2673	196	24	or	or	CCONJ
eurjchem-2673	196	25	red	red	ADJ
eurjchem-2673	196	26	from	from	ADP
eurjchem-2673	196	27	positive	positive	ADJ
eurjchem-2673	196	28	,	,	PUNCT
eurjchem-2673	196	29	neutral	neutral	ADJ
eurjchem-2673	196	30	to	to	ADP
eurjchem-2673	196	31	negative	negative	ADJ
eurjchem-2673	196	32	regions	region	NOUN
eurjchem-2673	196	33	,	,	PUNCT
eurjchem-2673	196	34	respectively	respectively	ADV
eurjchem-2673	196	35	.	.	PUNCT
eurjchem-2673	197	1	the	the	DET
eurjchem-2673	197	2	red	red	ADJ
eurjchem-2673	197	3	and	and	CCONJ
eurjchem-2673	197	4	blue	blue	ADJ
eurjchem-2673	197	5	colors	color	NOUN
eurjchem-2673	197	6	in	in	ADP
eurjchem-2673	197	7	the	the	DET
eurjchem-2673	197	8	mep	mep	PROPN
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eurjchem-2673	197	11	more	more	ADJ
eurjchem-2673	197	12	electron	electron	NOUN
eurjchem-2673	197	13	-	-	PUNCT
eurjchem-2673	197	14	rich	rich	ADJ
eurjchem-2673	197	15	regions	region	NOUN
eurjchem-2673	197	16	and	and	CCONJ
eurjchem-2673	197	17	less	less	ADJ
eurjchem-2673	197	18	electron	electron	NOUN
eurjchem-2673	197	19	-	-	PUNCT
eurjchem-2673	197	20	rich	rich	ADJ
eurjchem-2673	197	21	regions	region	NOUN
eurjchem-2673	197	22	,	,	PUNCT
eurjchem-2673	197	23	respectively	respectively	ADV
eurjchem-2673	197	24	[	[	X
eurjchem-2673	197	25	48	48	NUM
eurjchem-2673	197	26	]	]	PUNCT
eurjchem-2673	197	27	.	.	PUNCT
eurjchem-2673	198	1	dft	dft	PROPN
eurjchem-2673	198	2	calculations	calculation	NOUN
eurjchem-2673	198	3	using	use	VERB
eurjchem-2673	198	4	the	the	DET
eurjchem-2673	198	5	optimized	optimize	VERB
eurjchem-2673	198	6	structure	structure	NOUN
eurjchem-2673	198	7	with	with	ADP
eurjchem-2673	198	8	the	the	DET
eurjchem-2673	198	9	b3lyp/6	b3lyp/6	NOUN
eurjchem-2673	198	10	-	-	NOUN
eurjchem-2673	198	11	311g(d	311g(d	NUM
eurjchem-2673	198	12	,	,	PUNCT
eurjchem-2673	198	13	p	p	NOUN
eurjchem-2673	198	14	)	)	PUNCT
eurjchem-2673	198	15	basis	basis	NOUN
eurjchem-2673	198	16	set	set	NOUN
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eurjchem-2673	198	19	to	to	PART
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eurjchem-2673	198	22	mep	mep	PROPN
eurjchem-2673	198	23	surface	surface	NOUN
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eurjchem-2673	198	26	title	title	NOUN
eurjchem-2673	198	27	compound	compound	NOUN
eurjchem-2673	198	28	.	.	PUNCT
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eurjchem-2673	199	2	and	and	CCONJ
eurjchem-2673	199	3	kiraz	kiraz	PROPN
eurjchem-2673	199	4	/	/	SYM
eurjchem-2673	199	5	european	european	PROPN
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eurjchem-2673	199	8	chemistry	chemistry	NOUN
eurjchem-2673	199	9	16	16	NUM
eurjchem-2673	199	10	(	(	PUNCT
eurjchem-2673	199	11	2	2	NUM
eurjchem-2673	199	12	)	)	PUNCT
eurjchem-2673	199	13	(	(	PUNCT
eurjchem-2673	199	14	2025	2025	NUM
eurjchem-2673	199	15	)	)	PUNCT
eurjchem-2673	199	16	117	117	NUM
eurjchem-2673	199	17	-	-	SYM
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eurjchem-2673	199	19	125	125	NUM
eurjchem-2673	199	20	2025	2025	NUM
eurjchem-2673	199	21	–	–	PUNCT
eurjchem-2673	199	22	european	european	ADJ
eurjchem-2673	199	23	journal	journal	NOUN
eurjchem-2673	199	24	of	of	ADP
eurjchem-2673	199	25	chemistry	chemistry	NOUN
eurjchem-2673	199	26	–	–	PUNCT
eurjchem-2673	199	27	cc	cc	NOUN
eurjchem-2673	199	28	by	by	ADP
eurjchem-2673	199	29	nc	nc	PROPN
eurjchem-2673	199	30	–	–	PUNCT
eurjchem-2673	199	31	doi	doi	NOUN
eurjchem-2673	199	32	:	:	PUNCT
eurjchem-2673	199	33	10.5155	10.5155	NUM
eurjchem-2673	199	34	/	/	SYM
eurjchem-2673	199	35	eurjchem.16.2.117	eurjchem.16.2.117	VERB
eurjchem-2673	199	36	-	-	SYM
eurjchem-2673	199	37	128.2673	128.2673	NUM
eurjchem-2673	199	38	table	table	NOUN
eurjchem-2673	199	39	5	5	NUM
eurjchem-2673	199	40	.	.	PUNCT
eurjchem-2673	199	41	calculated	calculate	VERB
eurjchem-2673	199	42	electronic	electronic	ADJ
eurjchem-2673	199	43	parameters	parameter	NOUN
eurjchem-2673	199	44	of	of	ADP
eurjchem-2673	199	45	the	the	DET
eurjchem-2673	199	46	title	title	NOUN
eurjchem-2673	199	47	compound	compound	NOUN
eurjchem-2673	199	48	,	,	PUNCT
eurjchem-2673	199	49	2	2	NUM
eurjchem-2673	199	50	-	-	PUNCT
eurjchem-2673	199	51	pyrtppc	pyrtppc	NOUN
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eurjchem-2673	199	53	the	the	DET
eurjchem-2673	199	54	dft	dft	PROPN
eurjchem-2673	199	55	method	method	NOUN
eurjchem-2673	199	56	at	at	ADP
eurjchem-2673	199	57	the	the	DET
eurjchem-2673	199	58	b3lyp/6	b3lyp/6	NOUN
eurjchem-2673	199	59	-	-	NOUN
eurjchem-2673	199	60	311g(d	311g(d	NUM
eurjchem-2673	199	61	,	,	PUNCT
eurjchem-2673	199	62	p	p	NOUN
eurjchem-2673	199	63	)	)	PUNCT
eurjchem-2673	199	64	level	level	NOUN
eurjchem-2673	199	65	.	.	PUNCT
eurjchem-2673	200	1	parameters	parameter	NOUN
eurjchem-2673	200	2	gas	gas	NOUN
eurjchem-2673	200	3	phase	phase	NOUN
eurjchem-2673	200	4	electronic	electronic	ADJ
eurjchem-2673	200	5	energy	energy	NOUN
eurjchem-2673	200	6	(	(	PUNCT
eurjchem-2673	200	7	a.u	a.u	PROPN
eurjchem-2673	200	8	.	.	PUNCT
eurjchem-2673	200	9	)	)	PUNCT
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eurjchem-2673	201	4	(	(	PUNCT
eurjchem-2673	201	5	ev	ev	NOUN
eurjchem-2673	201	6	)	)	PUNCT
eurjchem-2673	201	7	2.065	2.065	NUM
eurjchem-2673	201	8	ehomo	ehomo	NOUN
eurjchem-2673	201	9	(	(	PUNCT
eurjchem-2673	201	10	ev	ev	INTJ
eurjchem-2673	201	11	)	)	PUNCT
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eurjchem-2673	201	13	elumo	elumo	ADJ
eurjchem-2673	201	14	(	(	PUNCT
eurjchem-2673	201	15	ev	ev	INTJ
eurjchem-2673	201	16	)	)	PUNCT
eurjchem-2673	201	17	-3.15	-3.15	NOUN
eurjchem-2673	201	18	energy	energy	NOUN
eurjchem-2673	201	19	band	band	NOUN
eurjchem-2673	201	20	gap	gap	NOUN
eurjchem-2673	201	21	[	[	X
eurjchem-2673	201	22	δe	δe	X
eurjchem-2673	201	23	=	=	PUNCT
eurjchem-2673	201	24	elumo	elumo	ADJ
eurjchem-2673	201	25	-	-	PUNCT
eurjchem-2673	201	26	ehomo	ehomo	NOUN
eurjchem-2673	201	27	]	]	PUNCT
eurjchem-2673	201	28	(	(	PUNCT
eurjchem-2673	201	29	ev	ev	INTJ
eurjchem-2673	201	30	)	)	PUNCT
eurjchem-2673	201	31	2.55	2.55	NUM
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eurjchem-2673	201	33	energy	energy	NOUN
eurjchem-2673	202	1	[	[	X
eurjchem-2673	202	2	i	i	NOUN
eurjchem-2673	202	3	=	=	SYM
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eurjchem-2673	202	5	]	]	PUNCT
eurjchem-2673	202	6	(	(	PUNCT
eurjchem-2673	202	7	ev	ev	INTJ
eurjchem-2673	202	8	)	)	PUNCT
eurjchem-2673	202	9	5.70	5.70	NUM
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eurjchem-2673	203	1	[	[	X
eurjchem-2673	203	2	a	a	X
eurjchem-2673	203	3	=	=	PUNCT
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eurjchem-2673	203	5	]	]	PUNCT
eurjchem-2673	203	6	(	(	PUNCT
eurjchem-2673	203	7	ev	ev	INTJ
eurjchem-2673	203	8	)	)	PUNCT
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eurjchem-2673	204	1	[	[	X
eurjchem-2673	204	2	χ	χ	ADP
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eurjchem-2673	204	4	i+a)/2	i+a)/2	PROPN
eurjchem-2673	204	5	]	]	PUNCT
eurjchem-2673	204	6	(	(	PUNCT
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eurjchem-2673	204	8	)	)	PUNCT
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eurjchem-2673	205	1	[	[	X
eurjchem-2673	205	2	η	η	NOUN
eurjchem-2673	205	3	=(	=(	PROPN
eurjchem-2673	205	4	i	i	PROPN
eurjchem-2673	205	5	-	-	PUNCT
eurjchem-2673	205	6	a)/2	a)/2	PROPN
eurjchem-2673	205	7	)	)	PUNCT
eurjchem-2673	205	8	]	]	PUNCT
eurjchem-2673	205	9	(	(	PUNCT
eurjchem-2673	205	10	ev	ev	INTJ
eurjchem-2673	205	11	)	)	PUNCT
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eurjchem-2673	205	16	ζ	ζ	NOUN
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eurjchem-2673	205	20	(	(	PUNCT
eurjchem-2673	205	21	ev-1	ev-1	X
eurjchem-2673	205	22	)	)	PUNCT
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eurjchem-2673	205	26	[	[	X
eurjchem-2673	205	27	µ	µ	X
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eurjchem-2673	205	30	]	]	X
eurjchem-2673	205	31	(	(	PUNCT
eurjchem-2673	205	32	ev	ev	INTJ
eurjchem-2673	205	33	)	)	PUNCT
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eurjchem-2673	205	36	index	index	NOUN
eurjchem-2673	205	37	[	[	X
eurjchem-2673	205	38	ω	ω	X
eurjchem-2673	205	39	=	=	X
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eurjchem-2673	205	41	/(2η	/(2η	NOUN
eurjchem-2673	205	42	)	)	PUNCT
eurjchem-2673	205	43	]	]	PUNCT
eurjchem-2673	205	44	(	(	PUNCT
eurjchem-2673	205	45	ev	ev	INTJ
eurjchem-2673	205	46	)	)	PUNCT
eurjchem-2673	205	47	7.68	7.68	NUM
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eurjchem-2673	206	3	-	-	PUNCT
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eurjchem-2673	206	23	2	2	NUM
eurjchem-2673	206	24	-	-	PUNCT
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eurjchem-2673	206	28	dft	dft	PROPN
eurjchem-2673	206	29	/	/	SYM
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eurjchem-2673	206	31	-	-	NOUN
eurjchem-2673	206	32	311g(d	311g(d	NUM
eurjchem-2673	206	33	,	,	PUNCT
eurjchem-2673	206	34	p	p	NOUN
eurjchem-2673	206	35	)	)	PUNCT
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eurjchem-2673	206	37	.	.	PUNCT
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eurjchem-2673	207	2	nbo(i	nbo(i	ADJ
eurjchem-2673	207	3	)	)	PUNCT
eurjchem-2673	207	4	acceptor	acceptor	NOUN
eurjchem-2673	207	5	nbo(j	nbo(j	PROPN
eurjchem-2673	207	6	)	)	PUNCT
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eurjchem-2673	207	8	e(j)-e(i)b	e(j)-e(i)b	CCONJ
eurjchem-2673	207	9	a.u	a.u	PROPN
eurjchem-2673	207	10	.	.	PROPN
eurjchem-2673	208	1	f(i	f(i	NUM
eurjchem-2673	208	2	,	,	PUNCT
eurjchem-2673	208	3	j)c	j)c	X
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eurjchem-2673	208	8	)	)	PUNCT
eurjchem-2673	208	9	lp(1	lp(1	PROPN
eurjchem-2673	208	10	)	)	PUNCT
eurjchem-2673	208	11	c22	c22	NOUN
eurjchem-2673	208	12	13.46	13.46	NUM
eurjchem-2673	208	13	0.27	0.27	NUM
eurjchem-2673	208	14	0.069	0.069	NUM
eurjchem-2673	208	15	π(n7	π(n7	PROPN
eurjchem-2673	208	16	-c21	-c21	NOUN
eurjchem-2673	208	17	)	)	PUNCT
eurjchem-2673	208	18	π*(c25	π*(c25	NOUN
eurjchem-2673	208	19	-c27	-c27	PROPN
eurjchem-2673	208	20	)	)	PUNCT
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eurjchem-2673	208	25	-c20	-c20	NOUN
eurjchem-2673	208	26	)	)	PUNCT
eurjchem-2673	209	1	π*(c23	π*(c23	PROPN
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eurjchem-2673	209	3	)	)	PUNCT
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eurjchem-2673	209	7	π*(c24	π*(c24	PROPN
eurjchem-2673	209	8	-c28	-c28	NOUN
eurjchem-2673	209	9	)	)	PUNCT
eurjchem-2673	209	10	25.77	25.77	NUM
eurjchem-2673	209	11	0.32	0.32	NUM
eurjchem-2673	209	12	0.084	0.084	NUM
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eurjchem-2673	209	14	-h35	-h35	NOUN
eurjchem-2673	209	15	)	)	PUNCT
eurjchem-2673	209	16	σ*(n12	σ*(n12	NOUN
eurjchem-2673	209	17	-c24	-c24	NUM
eurjchem-2673	209	18	)	)	PUNCT
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eurjchem-2673	209	20	1.04	1.04	NUM
eurjchem-2673	209	21	0.070	0.070	NUM
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eurjchem-2673	209	23	-h33	-h33	PRON
eurjchem-2673	209	24	)	)	PUNCT
eurjchem-2673	209	25	σ*(n7	σ*(n7	PROPN
eurjchem-2673	209	26	-c21	-c21	NOUN
eurjchem-2673	209	27	)	)	PUNCT
eurjchem-2673	209	28	5.68	5.68	NUM
eurjchem-2673	209	29	0.95	0.95	NUM
eurjchem-2673	209	30	0.066	0.066	NUM
eurjchem-2673	209	31	π(c23	π(c23	NOUN
eurjchem-2673	209	32	-c29	-c29	CCONJ
eurjchem-2673	209	33	)	)	PUNCT
eurjchem-2673	209	34	π*(n12	π*(n12	PROPN
eurjchem-2673	209	35	-c20	-c20	PROPN
eurjchem-2673	209	36	)	)	PUNCT
eurjchem-2673	209	37	35.19	35.19	NUM
eurjchem-2673	209	38	0.24	0.24	NUM
eurjchem-2673	209	39	0.084	0.084	NUM
eurjchem-2673	209	40	π*(c24	π*(c24	NOUN
eurjchem-2673	209	41	-c28	-c28	NOUN
eurjchem-2673	209	42	)	)	PUNCT
eurjchem-2673	209	43	20.28	20.28	NUM
eurjchem-2673	209	44	0.26	0.26	NUM
eurjchem-2673	209	45	0.065	0.065	NUM
eurjchem-2673	209	46	π(c24	π(c24	NOUN
eurjchem-2673	209	47	-c28	-c28	NOUN
eurjchem-2673	209	48	)	)	PUNCT
eurjchem-2673	209	49	π*(n12	π*(n12	PROPN
eurjchem-2673	209	50	-c20	-c20	PROPN
eurjchem-2673	209	51	)	)	PUNCT
eurjchem-2673	209	52	17.25	17.25	NUM
eurjchem-2673	209	53	0.26	0.26	NUM
eurjchem-2673	209	54	0.061	0.061	NUM
eurjchem-2673	209	55	π*(c23	π*(c23	PROPN
eurjchem-2673	209	56	-c29	-c29	PROPN
eurjchem-2673	209	57	)	)	PUNCT
eurjchem-2673	209	58	21.75	21.75	NUM
eurjchem-2673	209	59	0.30	0.30	NUM
eurjchem-2673	209	60	0.073	0.073	NUM
eurjchem-2673	209	61	π(c25	π(c25	NOUN
eurjchem-2673	209	62	-c27	-c27	PUNCT
eurjchem-2673	209	63	)	)	PUNCT
eurjchem-2673	209	64	lp*(1	lp*(1	PROPN
eurjchem-2673	209	65	)	)	PUNCT
eurjchem-2673	209	66	c26	c26	NOUN
eurjchem-2673	209	67	45.02	45.02	NUM
eurjchem-2673	209	68	0.18	0.18	NUM
eurjchem-2673	209	69	0.094	0.094	NUM
eurjchem-2673	209	70	π*(n7	π*(n7	PROPN
eurjchem-2673	209	71	-c21	-c21	PROPN
eurjchem-2673	209	72	)	)	PUNCT
eurjchem-2673	209	73	14.17	14.17	NUM
eurjchem-2673	209	74	0.21	0.21	NUM
eurjchem-2673	209	75	0.053	0.053	NUM
eurjchem-2673	209	76	σ(c28	σ(c28	NOUN
eurjchem-2673	209	77	-h37	-h37	SYM
eurjchem-2673	209	78	)	)	PUNCT
eurjchem-2673	209	79	σ*(n12	σ*(n12	NOUN
eurjchem-2673	209	80	-c24	-c24	NUM
eurjchem-2673	209	81	)	)	PUNCT
eurjchem-2673	209	82	5.25	5.25	NUM
eurjchem-2673	209	83	1.04	1.04	NUM
eurjchem-2673	209	84	0.066	0.066	NUM
eurjchem-2673	209	85	lp(1	lp(1	NOUN
eurjchem-2673	209	86	)	)	PUNCT
eurjchem-2673	209	87	s1	s1	PROPN
eurjchem-2673	209	88	σ*(n7	σ*(n7	PROPN
eurjchem-2673	209	89	-c21	-c21	NOUN
eurjchem-2673	209	90	)	)	PUNCT
eurjchem-2673	209	91	5.18	5.18	NUM
eurjchem-2673	209	92	1.07	1.07	NUM
eurjchem-2673	209	93	0.067	0.067	NUM
eurjchem-2673	209	94	lp(2	lp(2	NOUN
eurjchem-2673	209	95	)	)	PUNCT
eurjchem-2673	209	96	s1	s1	NOUN
eurjchem-2673	209	97	π*(n7	π*(n7	PROPN
eurjchem-2673	209	98	-c21	-c21	PROPN
eurjchem-2673	209	99	)	)	PUNCT
eurjchem-2673	209	100	35.21	35.21	NUM
eurjchem-2673	209	101	0.18	0.18	NUM
eurjchem-2673	209	102	0.078	0.078	NUM
eurjchem-2673	209	103	π*(c24	π*(c24	PROPN
eurjchem-2673	209	104	-c28	-c28	NOUN
eurjchem-2673	209	105	)	)	PUNCT
eurjchem-2673	209	106	19.21	19.21	NUM
eurjchem-2673	209	107	0.25	0.25	NUM
eurjchem-2673	209	108	0.063	0.063	NUM
eurjchem-2673	209	109	lp(1	lp(1	NOUN
eurjchem-2673	209	110	)	)	PUNCT
eurjchem-2673	209	111	n12	n12	PROPN
eurjchem-2673	209	112	σ*(n7	σ*(n7	PROPN
eurjchem-2673	209	113	-h40	-h40	PROPN
eurjchem-2673	209	114	)	)	PUNCT
eurjchem-2673	209	115	25.07	25.07	NUM
eurjchem-2673	209	116	0.75	0.75	NUM
eurjchem-2673	209	117	0.124	0.124	NUM
eurjchem-2673	209	118	σ*(c20	σ*(c20	PROPN
eurjchem-2673	209	119	-c23	-c23	NUM
eurjchem-2673	209	120	)	)	PUNCT
eurjchem-2673	209	121	7.76	7.76	NUM
eurjchem-2673	209	122	0.93	0.93	NUM
eurjchem-2673	209	123	0.078	0.078	NUM
eurjchem-2673	209	124	σ*(c24	σ*(c24	PROPN
eurjchem-2673	209	125	-c28	-c28	NOUN
eurjchem-2673	209	126	)	)	PUNCT
eurjchem-2673	209	127	9.43	9.43	NUM
eurjchem-2673	209	128	0.90	0.90	NUM
eurjchem-2673	209	129	0.085	0.085	NUM
eurjchem-2673	209	130	lp(1	lp(1	PROPN
eurjchem-2673	209	131	)	)	PUNCT
eurjchem-2673	209	132	c22	c22	NOUN
eurjchem-2673	209	133	π*(n7	π*(n7	PROPN
eurjchem-2673	209	134	-c21	-c21	PROPN
eurjchem-2673	209	135	)	)	PUNCT
eurjchem-2673	209	136	432.40	432.40	NUM
eurjchem-2673	209	137	0.03	0.03	NUM
eurjchem-2673	209	138	0.124	0.124	NUM
eurjchem-2673	209	139	lp*(1	lp*(1	NOUN
eurjchem-2673	209	140	)	)	PUNCT
eurjchem-2673	209	141	c26	c26	NOUN
eurjchem-2673	209	142	π*(c25	π*(c25	PROPN
eurjchem-2673	209	143	-c27	-c27	PROPN
eurjchem-2673	209	144	)	)	PUNCT
eurjchem-2673	209	145	61.28	61.28	NUM
eurjchem-2673	209	146	0.11	0.11	NUM
eurjchem-2673	209	147	0.101	0.101	NUM
eurjchem-2673	209	148	π*(n7	π*(n7	PROPN
eurjchem-2673	209	149	-c21	-c21	NOUN
eurjchem-2673	209	150	)	)	PUNCT
eurjchem-2673	209	151	π*(c25	π*(c25	NOUN
eurjchem-2673	209	152	-c27	-c27	PROPN
eurjchem-2673	209	153	)	)	PUNCT
eurjchem-2673	209	154	31.87	31.87	NUM
eurjchem-2673	209	155	0.08	0.08	NUM
eurjchem-2673	209	156	0.069	0.069	NUM
eurjchem-2673	209	157	π*(n12	π*(n12	PROPN
eurjchem-2673	209	158	-c20	-c20	NOUN
eurjchem-2673	209	159	)	)	PUNCT
eurjchem-2673	209	160	π*(c23	π*(c23	PROPN
eurjchem-2673	209	161	-c29	-c29	PROPN
eurjchem-2673	209	162	)	)	PUNCT
eurjchem-2673	209	163	103.18	103.18	NUM
eurjchem-2673	209	164	0.04	0.04	NUM
eurjchem-2673	209	165	0.088	0.088	NUM
eurjchem-2673	209	166	π*(c24	π*(c24	PROPN
eurjchem-2673	209	167	-c28	-c28	NOUN
eurjchem-2673	209	168	)	)	PUNCT
eurjchem-2673	209	169	159.65	159.65	NUM
eurjchem-2673	209	170	0.02	0.02	NUM
eurjchem-2673	209	171	0.076	0.076	NUM
eurjchem-2673	209	172	π*(c24	π*(c24	PROPN
eurjchem-2673	209	173	-c28	-c28	NOUN
eurjchem-2673	209	174	)	)	PUNCT
eurjchem-2673	209	175	π*(c23	π*(c23	PROPN
eurjchem-2673	209	176	-c29	-c29	PROPN
eurjchem-2673	209	177	)	)	PUNCT
eurjchem-2673	209	178	178.71	178.71	NUM
eurjchem-2673	209	179	0.02	0.02	NUM
eurjchem-2673	209	180	0.084	0.084	NUM
eurjchem-2673	209	181	a	a	DET
eurjchem-2673	209	182	e(2	e(2	NOUN
eurjchem-2673	209	183	)	)	PUNCT
eurjchem-2673	209	184	means	mean	VERB
eurjchem-2673	209	185	the	the	DET
eurjchem-2673	209	186	energy	energy	NOUN
eurjchem-2673	209	187	of	of	ADP
eurjchem-2673	209	188	hyperconjugative	hyperconjugative	ADJ
eurjchem-2673	209	189	interactions	interaction	NOUN
eurjchem-2673	209	190	.	.	PUNCT
eurjchem-2673	210	1	b	b	DET
eurjchem-2673	210	2	energy	energy	NOUN
eurjchem-2673	210	3	difference	difference	NOUN
eurjchem-2673	210	4	between	between	ADP
eurjchem-2673	210	5	donor	donor	NOUN
eurjchem-2673	210	6	and	and	CCONJ
eurjchem-2673	210	7	acceptor	acceptor	NOUN
eurjchem-2673	210	8	i	i	PRON
eurjchem-2673	210	9	and	and	CCONJ
eurjchem-2673	210	10	j	j	PROPN
eurjchem-2673	210	11	nbo	nbo	PROPN
eurjchem-2673	210	12	orbitals	orbital	NOUN
eurjchem-2673	210	13	.	.	PUNCT
eurjchem-2673	211	1	c	c	PROPN
eurjchem-2673	212	1	f(i	f(i	PROPN
eurjchem-2673	212	2	,	,	PUNCT
eurjchem-2673	212	3	j	j	NOUN
eurjchem-2673	212	4	)	)	PUNCT
eurjchem-2673	212	5	is	be	AUX
eurjchem-2673	212	6	the	the	DET
eurjchem-2673	212	7	fock	fock	ADJ
eurjchem-2673	212	8	matrix	matrix	NOUN
eurjchem-2673	212	9	element	element	NOUN
eurjchem-2673	212	10	between	between	ADP
eurjchem-2673	212	11	the	the	DET
eurjchem-2673	212	12	i	i	PROPN
eurjchem-2673	212	13	and	and	CCONJ
eurjchem-2673	212	14	j	j	PROPN
eurjchem-2673	212	15	nbo	nbo	PROPN
eurjchem-2673	212	16	orbitals	orbital	NOUN
eurjchem-2673	212	17	.	.	PUNCT
eurjchem-2673	213	1	elumo	elumo	ADJ
eurjchem-2673	213	2	=	=	PUNCT
eurjchem-2673	213	3	3.15	3.15	NUM
eurjchem-2673	213	4	ev	ev	X
eurjchem-2673	213	5	∆e	∆e	PROPN
eurjchem-2673	213	6	=	=	PROPN
eurjchem-2673	213	7	2.55	2.55	NUM
eurjchem-2673	213	8	ev	ev	INTJ
eurjchem-2673	213	9	ehomo	ehomo	NOUN
eurjchem-2673	213	10	=	=	SYM
eurjchem-2673	213	11	5.70	5.70	NUM
eurjchem-2673	213	12	ev	ev	INTJ
eurjchem-2673	213	13	figure	figure	NOUN
eurjchem-2673	213	14	8	8	NUM
eurjchem-2673	213	15	.	.	PUNCT
eurjchem-2673	213	16	frontier	frontier	NOUN
eurjchem-2673	213	17	molecular	molecular	ADJ
eurjchem-2673	213	18	orbitals	orbital	NOUN
eurjchem-2673	213	19	(	(	PUNCT
eurjchem-2673	213	20	homo	homo	NOUN
eurjchem-2673	213	21	and	and	CCONJ
eurjchem-2673	213	22	lumo	lumo	NOUN
eurjchem-2673	213	23	)	)	PUNCT
eurjchem-2673	213	24	diagram	diagram	NOUN
eurjchem-2673	213	25	for	for	ADP
eurjchem-2673	213	26	the	the	DET
eurjchem-2673	213	27	title	title	NOUN
eurjchem-2673	213	28	compound	compound	NOUN
eurjchem-2673	213	29	,	,	PUNCT
eurjchem-2673	213	30	2	2	NUM
eurjchem-2673	213	31	-	-	PUNCT
eurjchem-2673	213	32	pyrtppc	pyrtppc	NOUN
eurjchem-2673	213	33	.	.	PUNCT
eurjchem-2673	214	1	figure	figure	NOUN
eurjchem-2673	214	2	9	9	NUM
eurjchem-2673	214	3	shows	show	VERB
eurjchem-2673	214	4	the	the	DET
eurjchem-2673	214	5	mapped	map	VERB
eurjchem-2673	214	6	mep	mep	PROPN
eurjchem-2673	214	7	surface	surface	NOUN
eurjchem-2673	214	8	of	of	ADP
eurjchem-2673	214	9	the	the	DET
eurjchem-2673	214	10	investigated	investigate	VERB
eurjchem-2673	214	11	compound	compound	NOUN
eurjchem-2673	214	12	.	.	PUNCT
eurjchem-2673	215	1	the	the	DET
eurjchem-2673	215	2	color	color	NOUN
eurjchem-2673	215	3	code	code	NOUN
eurjchem-2673	215	4	of	of	ADP
eurjchem-2673	215	5	the	the	DET
eurjchem-2673	215	6	title	title	NOUN
eurjchem-2673	215	7	compound	compound	NOUN
eurjchem-2673	215	8	is	be	AUX
eurjchem-2673	215	9	in	in	ADP
eurjchem-2673	215	10	the	the	DET
eurjchem-2673	215	11	range	range	NOUN
eurjchem-2673	215	12	of	of	ADP
eurjchem-2673	215	13	-8.765e-2	-8.765e-2	INTJ
eurjchem-2673	215	14	to	to	ADP
eurjchem-2673	215	15	8.765e-2	8.765e-2	PROPN
eurjchem-2673	215	16	.	.	PROPN
eurjchem-2673	215	17	in	in	ADP
eurjchem-2673	215	18	the	the	DET
eurjchem-2673	215	19	mep	mep	PROPN
eurjchem-2673	215	20	mapping	mapping	NOUN
eurjchem-2673	215	21	,	,	PUNCT
eurjchem-2673	215	22	the	the	DET
eurjchem-2673	215	23	picrate	picrate	ADJ
eurjchem-2673	215	24	anion	anion	NOUN
eurjchem-2673	215	25	moiety	moiety	NOUN
eurjchem-2673	215	26	with	with	ADP
eurjchem-2673	215	27	three	three	NUM
eurjchem-2673	215	28	nitro	nitro	NOUN
eurjchem-2673	215	29	groups	group	NOUN
eurjchem-2673	215	30	is	be	AUX
eurjchem-2673	215	31	highlighted	highlight	VERB
eurjchem-2673	215	32	in	in	ADP
eurjchem-2673	215	33	red	red	ADJ
eurjchem-2673	215	34	,	,	PUNCT
eurjchem-2673	215	35	while	while	SCONJ
eurjchem-2673	215	36	the	the	DET
eurjchem-2673	215	37	2-(pyridine-2	2-(pyridine-2	NUM
eurjchem-2673	215	38	-	-	PUNCT
eurjchem-2673	215	39	ylthio)pyridine-1	ylthio)pyridine-1	NOUN
eurjchem-2673	215	40	-	-	PUNCT
eurjchem-2673	215	41	ium	ium	NOUN
eurjchem-2673	215	42	moiety	moiety	NOUN
eurjchem-2673	215	43	is	be	AUX
eurjchem-2673	215	44	highlighted	highlight	VERB
eurjchem-2673	215	45	in	in	ADP
eurjchem-2673	215	46	blue	blue	ADJ
eurjchem-2673	215	47	.	.	PUNCT
eurjchem-2673	216	1	therefore	therefore	ADV
eurjchem-2673	216	2	,	,	PUNCT
eurjchem-2673	216	3	it	it	PRON
eurjchem-2673	216	4	can	can	AUX
eurjchem-2673	216	5	be	be	AUX
eurjchem-2673	216	6	seen	see	VERB
eurjchem-2673	216	7	from	from	ADP
eurjchem-2673	216	8	figure	figure	NOUN
eurjchem-2673	216	9	9	9	NUM
eurjchem-2673	216	10	that	that	SCONJ
eurjchem-2673	216	11	the	the	DET
eurjchem-2673	216	12	anionic	anionic	ADJ
eurjchem-2673	216	13	moiety	moiety	NOUN
eurjchem-2673	216	14	is	be	AUX
eurjchem-2673	216	15	the	the	DET
eurjchem-2673	216	16	electronegative	electronegative	ADJ
eurjchem-2673	216	17	region	region	NOUN
eurjchem-2673	216	18	,	,	PUNCT
eurjchem-2673	216	19	while	while	SCONJ
eurjchem-2673	216	20	the	the	DET
eurjchem-2673	216	21	cationic	cationic	ADJ
eurjchem-2673	216	22	moiety	moiety	NOUN
eurjchem-2673	216	23	is	be	AUX
eurjchem-2673	216	24	the	the	DET
eurjchem-2673	216	25	electropositive	electropositive	ADJ
eurjchem-2673	216	26	region	region	NOUN
eurjchem-2673	216	27	.	.	PUNCT
eurjchem-2673	217	1	126	126	NUM
eurjchem-2673	217	2	aydin	aydin	NOUN
eurjchem-2673	217	3	and	and	CCONJ
eurjchem-2673	217	4	kiraz	kiraz	PROPN
eurjchem-2673	217	5	/	/	SYM
eurjchem-2673	217	6	european	european	PROPN
eurjchem-2673	217	7	journal	journal	PROPN
eurjchem-2673	217	8	of	of	ADP
eurjchem-2673	217	9	chemistry	chemistry	NOUN
eurjchem-2673	217	10	16	16	NUM
eurjchem-2673	217	11	(	(	PUNCT
eurjchem-2673	217	12	2	2	NUM
eurjchem-2673	217	13	)	)	PUNCT
eurjchem-2673	217	14	(	(	PUNCT
eurjchem-2673	217	15	2025	2025	NUM
eurjchem-2673	217	16	)	)	PUNCT
eurjchem-2673	217	17	117	117	NUM
eurjchem-2673	217	18	-	-	SYM
eurjchem-2673	217	19	128	128	NUM
eurjchem-2673	217	20	2025	2025	NUM
eurjchem-2673	217	21	–	–	PUNCT
eurjchem-2673	217	22	european	european	ADJ
eurjchem-2673	217	23	journal	journal	NOUN
eurjchem-2673	217	24	of	of	ADP
eurjchem-2673	217	25	chemistry	chemistry	NOUN
eurjchem-2673	217	26	–	–	PUNCT
eurjchem-2673	217	27	cc	cc	NOUN
eurjchem-2673	217	28	by	by	ADP
eurjchem-2673	217	29	nc	nc	PROPN
eurjchem-2673	217	30	–	–	PUNCT
eurjchem-2673	217	31	doi	doi	NOUN
eurjchem-2673	217	32	:	:	PUNCT
eurjchem-2673	217	33	10.5155	10.5155	NUM
eurjchem-2673	217	34	/	/	SYM
eurjchem-2673	217	35	eurjchem.16.2.117	eurjchem.16.2.117	VERB
eurjchem-2673	217	36	-	-	SYM
eurjchem-2673	217	37	128.2673	128.2673	NUM
eurjchem-2673	217	38	table	table	NOUN
eurjchem-2673	217	39	7	7	NUM
eurjchem-2673	217	40	.	.	PUNCT
eurjchem-2673	217	41	calculated	calculate	VERB
eurjchem-2673	217	42	thermodynamic	thermodynamic	ADJ
eurjchem-2673	217	43	parameters	parameter	NOUN
eurjchem-2673	217	44	of	of	ADP
eurjchem-2673	217	45	the	the	DET
eurjchem-2673	217	46	title	title	NOUN
eurjchem-2673	217	47	compound	compound	NOUN
eurjchem-2673	217	48	parameters	parameter	NOUN
eurjchem-2673	217	49	b3lyp/6	b3lyp/6	PROPN
eurjchem-2673	217	50	-	-	NOUN
eurjchem-2673	217	51	311g(d	311g(d	NUM
eurjchem-2673	217	52	,	,	PUNCT
eurjchem-2673	217	53	p	p	NOUN
eurjchem-2673	217	54	)	)	PUNCT
eurjchem-2673	217	55	temperature	temperature	NOUN
eurjchem-2673	217	56	(	(	PUNCT
eurjchem-2673	217	57	k	k	NOUN
eurjchem-2673	217	58	)	)	PUNCT
eurjchem-2673	217	59	298.15	298.15	NUM
eurjchem-2673	217	60	pressure	pressure	NOUN
eurjchem-2673	217	61	(	(	PUNCT
eurjchem-2673	217	62	atm	atm	NOUN
eurjchem-2673	217	63	)	)	PUNCT
eurjchem-2673	217	64	1	1	NUM
eurjchem-2673	217	65	the	the	DET
eurjchem-2673	217	66	sum	sum	NOUN
eurjchem-2673	217	67	of	of	ADP
eurjchem-2673	217	68	electronic	electronic	ADJ
eurjchem-2673	217	69	and	and	CCONJ
eurjchem-2673	217	70	zero	zero	NUM
eurjchem-2673	217	71	-	-	PUNCT
eurjchem-2673	217	72	point	point	NOUN
eurjchem-2673	217	73	energies	energy	NOUN
eurjchem-2673	217	74	(	(	PUNCT
eurjchem-2673	217	75	a.u	a.u	PROPN
eurjchem-2673	217	76	.	.	PUNCT
eurjchem-2673	217	77	)	)	PUNCT
eurjchem-2673	218	1	-1814.636376	-1814.636376	NOUN
eurjchem-2673	218	2	zero	zero	NUM
eurjchem-2673	218	3	-	-	PUNCT
eurjchem-2673	218	4	point	point	NOUN
eurjchem-2673	218	5	vibrational	vibrational	ADJ
eurjchem-2673	218	6	energy	energy	NOUN
eurjchem-2673	218	7	(	(	PUNCT
eurjchem-2673	218	8	kcal	kcal	NOUN
eurjchem-2673	218	9	/	/	SYM
eurjchem-2673	218	10	mol	mol	NOUN
eurjchem-2673	218	11	)	)	PUNCT
eurjchem-2673	218	12	170.16634	170.16634	NUM
eurjchem-2673	218	13	rotational	rotational	ADJ
eurjchem-2673	218	14	constants	constant	NOUN
eurjchem-2673	218	15	(	(	PUNCT
eurjchem-2673	218	16	ghz	ghz	NOUN
eurjchem-2673	218	17	)	)	PUNCT
eurjchem-2673	218	18	0.29215	0.29215	NUM
eurjchem-2673	218	19	0.06797	0.06797	NUM
eurjchem-2673	218	20	0.05720	0.05720	NUM
eurjchem-2673	218	21	e	e	X
eurjchem-2673	218	22	(	(	PUNCT
eurjchem-2673	218	23	thermal	thermal	ADJ
eurjchem-2673	218	24	)	)	PUNCT
eurjchem-2673	218	25	(	(	PUNCT
eurjchem-2673	218	26	kcal	kcal	NOUN
eurjchem-2673	218	27	/	/	SYM
eurjchem-2673	218	28	mol	mol	NOUN
eurjchem-2673	218	29	)	)	PUNCT
eurjchem-2673	218	30	186.008	186.008	NUM
eurjchem-2673	218	31	specific	specific	ADJ
eurjchem-2673	218	32	heat	heat	NOUN
eurjchem-2673	218	33	(	(	PUNCT
eurjchem-2673	218	34	cv	cv	PROPN
eurjchem-2673	218	35	)	)	PUNCT
eurjchem-2673	218	36	(	(	PUNCT
eurjchem-2673	218	37	cal	cal	X
eurjchem-2673	218	38	/mol	/mol	PUNCT
eurjchem-2673	219	1	k	k	X
eurjchem-2673	219	2	)	)	PUNCT
eurjchem-2673	219	3	91.777	91.777	NUM
eurjchem-2673	219	4	entropy	entropy	NOUN
eurjchem-2673	219	5	(	(	PUNCT
eurjchem-2673	219	6	s	s	NOUN
eurjchem-2673	219	7	)	)	PUNCT
eurjchem-2673	219	8	(	(	PUNCT
eurjchem-2673	219	9	cal	cal	PROPN
eurjchem-2673	219	10	/	/	SYM
eurjchem-2673	219	11	mol	mol	ADP
eurjchem-2673	219	12	k	k	NOUN
eurjchem-2673	219	13	)	)	PUNCT
eurjchem-2673	219	14	183.977	183.977	NUM
eurjchem-2673	219	15	dipole	dipole	NOUN
eurjchem-2673	219	16	moment	moment	NOUN
eurjchem-2673	219	17	(	(	PUNCT
eurjchem-2673	219	18	debye	debye	ADJ
eurjchem-2673	219	19	)	)	PUNCT
eurjchem-2673	219	20	24.6258	24.6258	NUM
eurjchem-2673	219	21	table	table	NOUN
eurjchem-2673	219	22	8	8	NUM
eurjchem-2673	219	23	.	.	PUNCT
eurjchem-2673	220	1	the	the	DET
eurjchem-2673	220	2	thermodynamic	thermodynamic	ADJ
eurjchem-2673	220	3	properties	property	NOUN
eurjchem-2673	220	4	of	of	ADP
eurjchem-2673	220	5	the	the	DET
eurjchem-2673	220	6	title	title	NOUN
eurjchem-2673	220	7	compound	compound	NOUN
eurjchem-2673	220	8	,	,	PUNCT
eurjchem-2673	220	9	2	2	NUM
eurjchem-2673	220	10	-	-	PUNCT
eurjchem-2673	220	11	pyrtppc	pyrtppc	NOUN
eurjchem-2673	220	12	at	at	ADP
eurjchem-2673	220	13	different	different	ADJ
eurjchem-2673	220	14	temperatures	temperature	NOUN
eurjchem-2673	220	15	at	at	ADP
eurjchem-2673	220	16	b3lyp/6	b3lyp/6	PROPN
eurjchem-2673	220	17	-	-	NOUN
eurjchem-2673	220	18	311g(d	311g(d	NUM
eurjchem-2673	220	19	,	,	PUNCT
eurjchem-2673	220	20	p	p	NOUN
eurjchem-2673	220	21	)	)	PUNCT
eurjchem-2673	220	22	level	level	NOUN
eurjchem-2673	220	23	.	.	PUNCT
eurjchem-2673	221	1	t	t	NOUN
eurjchem-2673	221	2	(	(	PUNCT
eurjchem-2673	221	3	k	k	NOUN
eurjchem-2673	221	4	)	)	PUNCT
eurjchem-2673	221	5	c	c	NOUN
eurjchem-2673	221	6	°	°	ADP
eurjchem-2673	221	7	p	p	NOUN
eurjchem-2673	221	8	,	,	PUNCT
eurjchem-2673	221	9	m	m	PROPN
eurjchem-2673	221	10	(	(	PUNCT
eurjchem-2673	221	11	cal	cal	PROPN
eurjchem-2673	221	12	/	/	SYM
eurjchem-2673	221	13	mol.k	mol.k	NOUN
eurjchem-2673	221	14	)	)	PUNCT
eurjchem-2673	221	15	s	s	PART
eurjchem-2673	221	16	°	°	NOUN
eurjchem-2673	221	17	m	m	PROPN
eurjchem-2673	221	18	(	(	PUNCT
eurjchem-2673	221	19	cal	cal	PROPN
eurjchem-2673	221	20	/	/	SYM
eurjchem-2673	221	21	mol.k	mol.k	NOUN
eurjchem-2673	221	22	)	)	PUNCT
eurjchem-2673	221	23	δh	δh	ADP
eurjchem-2673	221	24	°	°	NOUN
eurjchem-2673	221	25	(	(	PUNCT
eurjchem-2673	221	26	kcal	kcal	PROPN
eurjchem-2673	221	27	/	/	SYM
eurjchem-2673	221	28	mol	mol	NOUN
eurjchem-2673	221	29	)	)	PUNCT
eurjchem-2673	221	30	100	100	NUM
eurjchem-2673	221	31	182.981	182.981	NUM
eurjchem-2673	221	32	476.807	476.807	NUM
eurjchem-2673	221	33	11.903	11.903	NUM
eurjchem-2673	221	34	200	200	NUM
eurjchem-2673	221	35	287.291	287.291	NUM
eurjchem-2673	221	36	635.564	635.564	NUM
eurjchem-2673	221	37	35.403	35.403	NUM
eurjchem-2673	221	38	298.15	298.15	NUM
eurjchem-2673	221	39	392.310	392.310	NUM
eurjchem-2673	221	40	769.872	769.872	NUM
eurjchem-2673	221	41	68.761	68.761	NUM
eurjchem-2673	221	42	300	300	NUM
eurjchem-2673	221	43	394.257	394.257	NUM
eurjchem-2673	221	44	772.305	772.305	NUM
eurjchem-2673	221	45	69.489	69.489	NUM
eurjchem-2673	221	46	400	400	NUM
eurjchem-2673	221	47	493.125	493.125	NUM
eurjchem-2673	221	48	899.605	899.605	NUM
eurjchem-2673	221	49	113.976	113.976	NUM
eurjchem-2673	221	50	500	500	NUM
eurjchem-2673	221	51	575.378	575.378	NUM
eurjchem-2673	221	52	1018.809	1018.809	NUM
eurjchem-2673	221	53	167.550	167.550	NUM
eurjchem-2673	221	54	600	600	NUM
eurjchem-2673	221	55	640.781	640.781	NUM
eurjchem-2673	221	56	1129.730	1129.730	NUM
eurjchem-2673	221	57	228.487	228.487	NUM
eurjchem-2673	221	58	700	700	NUM
eurjchem-2673	221	59	692.455	692.455	NUM
eurjchem-2673	221	60	1232.541	1232.541	NUM
eurjchem-2673	221	61	295.248	295.248	NUM
eurjchem-2673	221	62	800	800	NUM
eurjchem-2673	221	63	733.703	733.703	NUM
eurjchem-2673	221	64	1327.798	1327.798	NUM
eurjchem-2673	221	65	366.631	366.631	NUM
eurjchem-2673	221	66	900	900	NUM
eurjchem-2673	221	67	767.108	767.108	NUM
eurjchem-2673	221	68	1416.211	1416.211	NUM
eurjchem-2673	221	69	441.728	441.728	NUM
eurjchem-2673	221	70	1000	1000	NUM
eurjchem-2673	221	71	794.535	794.535	NUM
eurjchem-2673	221	72	1498.499	1498.499	NUM
eurjchem-2673	221	73	519.854	519.854	NUM
eurjchem-2673	221	74	figure	figure	NOUN
eurjchem-2673	221	75	9	9	NUM
eurjchem-2673	221	76	.	.	PUNCT
eurjchem-2673	222	1	molecular	molecular	ADJ
eurjchem-2673	222	2	electrostatic	electrostatic	ADJ
eurjchem-2673	222	3	potential	potential	ADJ
eurjchem-2673	222	4	map	map	NOUN
eurjchem-2673	222	5	calculated	calculate	VERB
eurjchem-2673	222	6	at	at	ADP
eurjchem-2673	222	7	b3lyp/6	b3lyp/6	PROPN
eurjchem-2673	222	8	-	-	NOUN
eurjchem-2673	222	9	311g(d	311g(d	NUM
eurjchem-2673	222	10	,	,	PUNCT
eurjchem-2673	222	11	p	p	NOUN
eurjchem-2673	222	12	)	)	PUNCT
eurjchem-2673	222	13	level	level	NOUN
eurjchem-2673	222	14	for	for	ADP
eurjchem-2673	222	15	the	the	DET
eurjchem-2673	222	16	title	title	NOUN
eurjchem-2673	222	17	compound	compound	NOUN
eurjchem-2673	222	18	,	,	PUNCT
eurjchem-2673	222	19	2	2	NUM
eurjchem-2673	222	20	-	-	PUNCT
eurjchem-2673	222	21	pyrtppc	pyrtppc	NOUN
eurjchem-2673	222	22	.	.	PUNCT
eurjchem-2673	223	1	3.6	3.6	NUM
eurjchem-2673	223	2	.	.	PUNCT
eurjchem-2673	223	3	natural	natural	ADJ
eurjchem-2673	223	4	bond	bond	NOUN
eurjchem-2673	223	5	orbital	orbital	NOUN
eurjchem-2673	223	6	(	(	PUNCT
eurjchem-2673	223	7	nbo	nbo	NOUN
eurjchem-2673	223	8	)	)	PUNCT
eurjchem-2673	223	9	analysis	analysis	NOUN
eurjchem-2673	223	10	nbo	nbo	NOUN
eurjchem-2673	223	11	analysis	analysis	NOUN
eurjchem-2673	223	12	provides	provide	VERB
eurjchem-2673	223	13	sufficient	sufficient	ADJ
eurjchem-2673	223	14	fundamentals	fundamental	NOUN
eurjchem-2673	223	15	for	for	ADP
eurjchem-2673	223	16	the	the	DET
eurjchem-2673	223	17	investigation	investigation	NOUN
eurjchem-2673	223	18	of	of	ADP
eurjchem-2673	223	19	charge	charge	NOUN
eurjchem-2673	223	20	transfer	transfer	NOUN
eurjchem-2673	223	21	or	or	CCONJ
eurjchem-2673	223	22	conjugative	conjugative	VERB
eurjchem-2673	223	23	interactions	interaction	NOUN
eurjchem-2673	223	24	in	in	ADP
eurjchem-2673	223	25	molecular	molecular	ADJ
eurjchem-2673	223	26	systems	system	NOUN
eurjchem-2673	223	27	and	and	CCONJ
eurjchem-2673	223	28	also	also	ADV
eurjchem-2673	223	29	provides	provide	VERB
eurjchem-2673	223	30	abundant	abundant	ADJ
eurjchem-2673	223	31	methods	method	NOUN
eurjchem-2673	223	32	for	for	ADP
eurjchem-2673	223	33	studying	study	VERB
eurjchem-2673	223	34	intramolecular	intramolecular	ADJ
eurjchem-2673	223	35	and	and	CCONJ
eurjchem-2673	223	36	intermolecular	intermolecular	ADJ
eurjchem-2673	223	37	bonding	bonding	NOUN
eurjchem-2673	223	38	and	and	CCONJ
eurjchem-2673	223	39	interaction	interaction	NOUN
eurjchem-2673	223	40	among	among	ADP
eurjchem-2673	223	41	bonds	bond	NOUN
eurjchem-2673	223	42	[	[	X
eurjchem-2673	223	43	49	49	NUM
eurjchem-2673	223	44	]	]	PUNCT
eurjchem-2673	223	45	.	.	PUNCT
eurjchem-2673	224	1	the	the	DET
eurjchem-2673	224	2	interacting	interact	VERB
eurjchem-2673	224	3	stabilization	stabilization	NOUN
eurjchem-2673	224	4	energy	energy	NOUN
eurjchem-2673	224	5	,	,	PUNCT
eurjchem-2673	224	6	some	some	DET
eurjchem-2673	224	7	electron	electron	NOUN
eurjchem-2673	224	8	donor	donor	NOUN
eurjchem-2673	224	9	orbital	orbital	ADJ
eurjchem-2673	224	10	and	and	CCONJ
eurjchem-2673	224	11	acceptor	acceptor	NOUN
eurjchem-2673	224	12	orbital	orbital	ADJ
eurjchem-2673	224	13	disturbance	disturbance	NOUN
eurjchem-2673	224	14	theory	theory	NOUN
eurjchem-2673	224	15	are	be	AUX
eurjchem-2673	224	16	declared	declare	VERB
eurjchem-2673	224	17	[	[	PUNCT
eurjchem-2673	224	18	50,51	50,51	NOUN
eurjchem-2673	224	19	]	]	X
eurjchem-2673	224	20	.	.	PUNCT
eurjchem-2673	225	1	the	the	DET
eurjchem-2673	225	2	e(2	e(2	NOUN
eurjchem-2673	225	3	)	)	PUNCT
eurjchem-2673	225	4	value	value	NOUN
eurjchem-2673	225	5	exhibits	exhibit	VERB
eurjchem-2673	225	6	the	the	DET
eurjchem-2673	225	7	interaction	interaction	NOUN
eurjchem-2673	225	8	energy	energy	NOUN
eurjchem-2673	225	9	between	between	ADP
eurjchem-2673	225	10	the	the	DET
eurjchem-2673	225	11	electron	electron	NOUN
eurjchem-2673	225	12	acceptor	acceptor	NOUN
eurjchem-2673	225	13	and	and	CCONJ
eurjchem-2673	225	14	the	the	DET
eurjchem-2673	225	15	electron	electron	NOUN
eurjchem-2673	225	16	donors	donor	NOUN
eurjchem-2673	225	17	,	,	PUNCT
eurjchem-2673	225	18	and	and	CCONJ
eurjchem-2673	225	19	this	this	DET
eurjchem-2673	225	20	value	value	NOUN
eurjchem-2673	225	21	is	be	AUX
eurjchem-2673	225	22	greater	great	ADJ
eurjchem-2673	225	23	than	than	ADP
eurjchem-2673	225	24	the	the	DET
eurjchem-2673	225	25	dependence	dependence	NOUN
eurjchem-2673	225	26	of	of	ADP
eurjchem-2673	225	27	the	the	DET
eurjchem-2673	225	28	electron	electron	NOUN
eurjchem-2673	225	29	donation	donation	NOUN
eurjchem-2673	225	30	from	from	ADP
eurjchem-2673	225	31	the	the	DET
eurjchem-2673	225	32	donor	donor	NOUN
eurjchem-2673	225	33	to	to	ADP
eurjchem-2673	225	34	the	the	DET
eurjchem-2673	225	35	acceptor	acceptor	NOUN
eurjchem-2673	225	36	.	.	PUNCT
eurjchem-2673	226	1	the	the	DET
eurjchem-2673	226	2	delocalization	delocalization	NOUN
eurjchem-2673	226	3	of	of	ADP
eurjchem-2673	226	4	electron	electron	NOUN
eurjchem-2673	226	5	density	density	NOUN
eurjchem-2673	226	6	between	between	ADP
eurjchem-2673	226	7	occupied	occupy	VERB
eurjchem-2673	226	8	lewis	lewis	PROPN
eurjchem-2673	226	9	type	type	NOUN
eurjchem-2673	226	10	(	(	PUNCT
eurjchem-2673	226	11	bond	bond	NOUN
eurjchem-2673	226	12	or	or	CCONJ
eurjchem-2673	226	13	lone	lone	ADJ
eurjchem-2673	226	14	pair	pair	NOUN
eurjchem-2673	226	15	)	)	PUNCT
eurjchem-2673	226	16	nbo	nbo	NOUN
eurjchem-2673	226	17	orbitals	orbital	NOUN
eurjchem-2673	226	18	and	and	CCONJ
eurjchem-2673	226	19	formally	formally	ADV
eurjchem-2673	226	20	unoccupied	unoccupied	ADJ
eurjchem-2673	226	21	(	(	PUNCT
eurjchem-2673	226	22	antibonding	antibonde	VERB
eurjchem-2673	226	23	or	or	CCONJ
eurjchem-2673	226	24	rydberg	rydberg	PROPN
eurjchem-2673	226	25	)	)	PUNCT
eurjchem-2673	226	26	non	non	PROPN
eurjchem-2673	226	27	-	-	PROPN
eurjchem-2673	226	28	lewis	lewis	ADJ
eurjchem-2673	226	29	nbo	nbo	PROPN
eurjchem-2673	226	30	orbitals	orbital	NOUN
eurjchem-2673	226	31	corresponds	correspond	VERB
eurjchem-2673	226	32	to	to	ADP
eurjchem-2673	226	33	a	a	DET
eurjchem-2673	226	34	stabling	stabling	NOUN
eurjchem-2673	226	35	donor	donor	NOUN
eurjchem-2673	226	36	-	-	PUNCT
eurjchem-2673	226	37	acceptor	acceptor	NOUN
eurjchem-2673	226	38	interaction	interaction	NOUN
eurjchem-2673	226	39	[	[	X
eurjchem-2673	226	40	52	52	NUM
eurjchem-2673	226	41	]	]	PUNCT
eurjchem-2673	226	42	.	.	PUNCT
eurjchem-2673	227	1	table	table	NOUN
eurjchem-2673	227	2	6	6	NUM
eurjchem-2673	227	3	displays	display	VERB
eurjchem-2673	227	4	the	the	DET
eurjchem-2673	227	5	most	most	ADV
eurjchem-2673	227	6	potent	potent	ADJ
eurjchem-2673	227	7	interactions	interaction	NOUN
eurjchem-2673	227	8	and	and	CCONJ
eurjchem-2673	227	9	electron	electron	NOUN
eurjchem-2673	227	10	delocalization	delocalization	NOUN
eurjchem-2673	227	11	values	value	NOUN
eurjchem-2673	227	12	.	.	PUNCT
eurjchem-2673	228	1	this	this	DET
eurjchem-2673	228	2	information	information	NOUN
eurjchem-2673	228	3	is	be	AUX
eurjchem-2673	228	4	critical	critical	ADJ
eurjchem-2673	228	5	in	in	ADP
eurjchem-2673	228	6	understanding	understand	VERB
eurjchem-2673	228	7	the	the	DET
eurjchem-2673	228	8	underlying	underlying	ADJ
eurjchem-2673	228	9	chemical	chemical	NOUN
eurjchem-2673	228	10	mechanisms	mechanism	NOUN
eurjchem-2673	228	11	and	and	CCONJ
eurjchem-2673	228	12	can	can	AUX
eurjchem-2673	228	13	significantly	significantly	ADV
eurjchem-2673	228	14	enhance	enhance	VERB
eurjchem-2673	228	15	our	our	PRON
eurjchem-2673	228	16	ability	ability	NOUN
eurjchem-2673	228	17	to	to	PART
eurjchem-2673	228	18	predict	predict	VERB
eurjchem-2673	228	19	molecular	molecular	ADJ
eurjchem-2673	228	20	behavior	behavior	NOUN
eurjchem-2673	228	21	with	with	ADP
eurjchem-2673	228	22	greater	great	ADJ
eurjchem-2673	228	23	accuracy	accuracy	NOUN
eurjchem-2673	228	24	.	.	PUNCT
eurjchem-2673	229	1	3.7	3.7	NUM
eurjchem-2673	229	2	.	.	PUNCT
eurjchem-2673	230	1	thermal	thermal	ADJ
eurjchem-2673	230	2	analysis	analysis	NOUN
eurjchem-2673	230	3	the	the	DET
eurjchem-2673	230	4	tg	tg	PROPN
eurjchem-2673	230	5	curve	curve	NOUN
eurjchem-2673	230	6	of	of	ADP
eurjchem-2673	230	7	the	the	DET
eurjchem-2673	230	8	title	title	NOUN
eurjchem-2673	230	9	compound	compound	NOUN
eurjchem-2673	230	10	is	be	AUX
eurjchem-2673	230	11	shown	show	VERB
eurjchem-2673	230	12	in	in	ADP
eurjchem-2673	230	13	figure	figure	NOUN
eurjchem-2673	230	14	10	10	NUM
eurjchem-2673	230	15	.	.	PUNCT
eurjchem-2673	231	1	important	important	ADJ
eurjchem-2673	231	2	information	information	NOUN
eurjchem-2673	231	3	about	about	ADP
eurjchem-2673	231	4	thermal	thermal	ADJ
eurjchem-2673	231	5	stability	stability	NOUN
eurjchem-2673	231	6	,	,	PUNCT
eurjchem-2673	231	7	compound	compound	NOUN
eurjchem-2673	231	8	decomposition	decomposition	NOUN
eurjchem-2673	231	9	,	,	PUNCT
eurjchem-2673	231	10	and	and	CCONJ
eurjchem-2673	231	11	crystal	crystal	NOUN
eurjchem-2673	231	12	purity	purity	NOUN
eurjchem-2673	231	13	can	can	AUX
eurjchem-2673	231	14	be	be	AUX
eurjchem-2673	231	15	obtained	obtain	VERB
eurjchem-2673	231	16	by	by	ADP
eurjchem-2673	231	17	thermogravimetry	thermogravimetry	NOUN
eurjchem-2673	231	18	and	and	CCONJ
eurjchem-2673	231	19	differential	differential	PROPN
eurjchem-2673	231	20	thermogravimetry	thermogravimetry	NOUN
eurjchem-2673	231	21	(	(	PUNCT
eurjchem-2673	231	22	tg	tg	PROPN
eurjchem-2673	231	23	/	/	SYM
eurjchem-2673	231	24	dtg	dtg	PROPN
eurjchem-2673	231	25	)	)	PUNCT
eurjchem-2673	232	1	[	[	X
eurjchem-2673	232	2	53	53	NUM
eurjchem-2673	232	3	]	]	PUNCT
eurjchem-2673	232	4	.	.	PUNCT
eurjchem-2673	233	1	from	from	ADP
eurjchem-2673	233	2	the	the	DET
eurjchem-2673	233	3	tg	tg	PROPN
eurjchem-2673	233	4	curve	curve	NOUN
eurjchem-2673	233	5	,	,	PUNCT
eurjchem-2673	233	6	it	it	PRON
eurjchem-2673	233	7	is	be	AUX
eurjchem-2673	233	8	clear	clear	ADJ
eurjchem-2673	233	9	that	that	SCONJ
eurjchem-2673	233	10	there	there	PRON
eurjchem-2673	233	11	is	be	VERB
eurjchem-2673	233	12	no	no	DET
eurjchem-2673	233	13	weight	weight	NOUN
eurjchem-2673	233	14	loss	loss	NOUN
eurjchem-2673	233	15	between	between	ADP
eurjchem-2673	233	16	30	30	NUM
eurjchem-2673	233	17	and	and	CCONJ
eurjchem-2673	233	18	157	157	NUM
eurjchem-2673	233	19	°	°	NOUN
eurjchem-2673	233	20	c	c	NOUN
eurjchem-2673	233	21	and	and	CCONJ
eurjchem-2673	233	22	shows	show	VERB
eurjchem-2673	233	23	that	that	SCONJ
eurjchem-2673	233	24	the	the	DET
eurjchem-2673	233	25	title	title	NOUN
eurjchem-2673	233	26	compound	compound	NOUN
eurjchem-2673	233	27	is	be	AUX
eurjchem-2673	233	28	stable	stable	ADJ
eurjchem-2673	233	29	up	up	ADP
eurjchem-2673	233	30	to	to	ADP
eurjchem-2673	233	31	157.46	157.46	NUM
eurjchem-2673	233	32	°	°	ADP
eurjchem-2673	233	33	c	c	NOUN
eurjchem-2673	233	34	and	and	CCONJ
eurjchem-2673	233	35	moisture	moisture	NOUN
eurjchem-2673	233	36	-	-	PUNCT
eurjchem-2673	233	37	free	free	ADJ
eurjchem-2673	233	38	.	.	PUNCT
eurjchem-2673	234	1	furthermore	furthermore	ADV
eurjchem-2673	234	2	,	,	PUNCT
eurjchem-2673	234	3	the	the	DET
eurjchem-2673	234	4	crystal	crystal	NOUN
eurjchem-2673	234	5	has	have	VERB
eurjchem-2673	234	6	a	a	DET
eurjchem-2673	234	7	one	one	NUM
eurjchem-2673	234	8	-	-	PUNCT
eurjchem-2673	234	9	step	step	NOUN
eurjchem-2673	234	10	decomposition	decomposition	NOUN
eurjchem-2673	234	11	.	.	PUNCT
eurjchem-2673	235	1	after	after	ADP
eurjchem-2673	235	2	157.46	157.46	NUM
eurjchem-2673	235	3	°	°	NOUN
eurjchem-2673	235	4	c	c	NOUN
eurjchem-2673	235	5	,	,	PUNCT
eurjchem-2673	235	6	there	there	PRON
eurjchem-2673	235	7	is	be	VERB
eurjchem-2673	235	8	no	no	DET
eurjchem-2673	235	9	residue	residue	NOUN
eurjchem-2673	235	10	left	leave	VERB
eurjchem-2673	235	11	due	due	ADP
eurjchem-2673	235	12	to	to	ADP
eurjchem-2673	235	13	decomposition	decomposition	NOUN
eurjchem-2673	235	14	resulting	result	VERB
eurjchem-2673	235	15	in	in	ADP
eurjchem-2673	235	16	the	the	DET
eurjchem-2673	235	17	release	release	NOUN
eurjchem-2673	235	18	of	of	ADP
eurjchem-2673	235	19	volatile	volatile	ADJ
eurjchem-2673	235	20	substances	substance	NOUN
eurjchem-2673	235	21	such	such	ADJ
eurjchem-2673	235	22	as	as	ADP
eurjchem-2673	235	23	ch4	ch4	PROPN
eurjchem-2673	235	24	,	,	PUNCT
eurjchem-2673	235	25	no2	no2	PROPN
eurjchem-2673	235	26	,	,	PUNCT
eurjchem-2673	235	27	nh3	nh3	NOUN
eurjchem-2673	235	28	,	,	PUNCT
eurjchem-2673	235	29	co	co	NOUN
eurjchem-2673	235	30	,	,	PUNCT
eurjchem-2673	235	31	co2	co2	NOUN
eurjchem-2673	235	32	and	and	CCONJ
eurjchem-2673	235	33	h2s	h2s	NOUN
eurjchem-2673	235	34	molecules	molecule	NOUN
eurjchem-2673	235	35	[	[	X
eurjchem-2673	235	36	54	54	NUM
eurjchem-2673	235	37	]	]	PUNCT
eurjchem-2673	235	38	.	.	PUNCT
eurjchem-2673	236	1	the	the	DET
eurjchem-2673	236	2	purity	purity	NOUN
eurjchem-2673	236	3	of	of	ADP
eurjchem-2673	236	4	the	the	DET
eurjchem-2673	236	5	title	title	NOUN
eurjchem-2673	236	6	compound	compound	NOUN
eurjchem-2673	236	7	crystal	crystal	NOUN
eurjchem-2673	236	8	is	be	AUX
eurjchem-2673	236	9	also	also	ADV
eurjchem-2673	236	10	illustrated	illustrate	VERB
eurjchem-2673	236	11	by	by	ADP
eurjchem-2673	236	12	the	the	DET
eurjchem-2673	236	13	sharpness	sharpness	NOUN
eurjchem-2673	236	14	of	of	ADP
eurjchem-2673	236	15	the	the	DET
eurjchem-2673	236	16	thermogram	thermogram	NOUN
eurjchem-2673	236	17	.	.	PUNCT
eurjchem-2673	237	1	figure	figure	NOUN
eurjchem-2673	237	2	10	10	NUM
eurjchem-2673	237	3	.	.	PUNCT
eurjchem-2673	238	1	tg	tg	PROPN
eurjchem-2673	238	2	/	/	SYM
eurjchem-2673	238	3	dtg	dtg	PROPN
eurjchem-2673	238	4	thermograms	thermogram	NOUN
eurjchem-2673	238	5	of	of	ADP
eurjchem-2673	238	6	the	the	DET
eurjchem-2673	238	7	title	title	NOUN
eurjchem-2673	238	8	compound	compound	NOUN
eurjchem-2673	238	9	,	,	PUNCT
eurjchem-2673	238	10	2	2	NUM
eurjchem-2673	238	11	-	-	PUNCT
eurjchem-2673	238	12	pyrtppc	pyrtppc	NOUN
eurjchem-2673	238	13	.	.	PUNCT
eurjchem-2673	239	1	3.8	3.8	NUM
eurjchem-2673	239	2	.	.	PUNCT
eurjchem-2673	240	1	thermodynamic	thermodynamic	ADJ
eurjchem-2673	240	2	properties	property	NOUN
eurjchem-2673	240	3	statistically	statistically	ADV
eurjchem-2673	240	4	thermodynamic	thermodynamic	ADJ
eurjchem-2673	240	5	parameters	parameter	NOUN
eurjchem-2673	240	6	such	such	ADJ
eurjchem-2673	240	7	as	as	ADP
eurjchem-2673	240	8	specific	specific	ADJ
eurjchem-2673	240	9	heat	heat	NOUN
eurjchem-2673	240	10	capacity	capacity	NOUN
eurjchem-2673	240	11	(	(	PUNCT
eurjchem-2673	240	12	cp	cp	NOUN
eurjchem-2673	240	13	)	)	PUNCT
eurjchem-2673	240	14	,	,	PUNCT
eurjchem-2673	240	15	enthalpy	enthalpy	NOUN
eurjchem-2673	240	16	(	(	PUNCT
eurjchem-2673	240	17	h	h	NOUN
eurjchem-2673	240	18	)	)	PUNCT
eurjchem-2673	240	19	,	,	PUNCT
eurjchem-2673	240	20	entropy	entropy	NOUN
eurjchem-2673	240	21	(	(	PUNCT
eurjchem-2673	240	22	s	s	NOUN
eurjchem-2673	240	23	)	)	PUNCT
eurjchem-2673	240	24	,	,	PUNCT
eurjchem-2673	240	25	zero	zero	NUM
eurjchem-2673	240	26	-	-	PUNCT
eurjchem-2673	240	27	point	point	NOUN
eurjchem-2673	240	28	aydin	aydin	NOUN
eurjchem-2673	240	29	and	and	CCONJ
eurjchem-2673	240	30	kiraz	kiraz	PROPN
eurjchem-2673	240	31	/	/	SYM
eurjchem-2673	240	32	european	european	PROPN
eurjchem-2673	240	33	journal	journal	PROPN
eurjchem-2673	240	34	of	of	ADP
eurjchem-2673	240	35	chemistry	chemistry	NOUN
eurjchem-2673	240	36	16	16	NUM
eurjchem-2673	240	37	(	(	PUNCT
eurjchem-2673	240	38	2	2	NUM
eurjchem-2673	240	39	)	)	PUNCT
eurjchem-2673	240	40	(	(	PUNCT
eurjchem-2673	240	41	2025	2025	NUM
eurjchem-2673	240	42	)	)	PUNCT
eurjchem-2673	240	43	117	117	NUM
eurjchem-2673	240	44	-	-	SYM
eurjchem-2673	240	45	128	128	NUM
eurjchem-2673	240	46	127	127	NUM
eurjchem-2673	240	47	2025	2025	NUM
eurjchem-2673	240	48	–	–	PUNCT
eurjchem-2673	240	49	european	european	ADJ
eurjchem-2673	240	50	journal	journal	NOUN
eurjchem-2673	240	51	of	of	ADP
eurjchem-2673	240	52	chemistry	chemistry	NOUN
eurjchem-2673	240	53	–	–	PUNCT
eurjchem-2673	240	54	cc	cc	NOUN
eurjchem-2673	240	55	by	by	ADP
eurjchem-2673	240	56	nc	nc	PROPN
eurjchem-2673	240	57	–	–	PUNCT
eurjchem-2673	240	58	doi	doi	NOUN
eurjchem-2673	240	59	:	:	PUNCT
eurjchem-2673	240	60	10.5155	10.5155	NUM
eurjchem-2673	240	61	/	/	SYM
eurjchem-2673	240	62	eurjchem.16.2.117	eurjchem.16.2.117	VERB
eurjchem-2673	240	63	-	-	PUNCT
eurjchem-2673	240	64	128.2673	128.2673	NUM
eurjchem-2673	240	65	vibration	vibration	NOUN
eurjchem-2673	240	66	energy	energy	NOUN
eurjchem-2673	240	67	(	(	PUNCT
eurjchem-2673	240	68	zpve	zpve	NOUN
eurjchem-2673	240	69	)	)	PUNCT
eurjchem-2673	240	70	,	,	PUNCT
eurjchem-2673	240	71	rotation	rotation	NOUN
eurjchem-2673	240	72	constants	constant	NOUN
eurjchem-2673	240	73	,	,	PUNCT
eurjchem-2673	240	74	and	and	CCONJ
eurjchem-2673	240	75	rotational	rotational	ADJ
eurjchem-2673	240	76	temperature	temperature	NOUN
eurjchem-2673	240	77	thermodynamic	thermodynamic	ADJ
eurjchem-2673	240	78	parameters	parameter	NOUN
eurjchem-2673	240	79	were	be	AUX
eurjchem-2673	240	80	calculated	calculate	VERB
eurjchem-2673	240	81	using	use	VERB
eurjchem-2673	240	82	the	the	DET
eurjchem-2673	240	83	b3lyp/6	b3lyp/6	NOUN
eurjchem-2673	240	84	-	-	NOUN
eurjchem-2673	240	85	311g(d	311g(d	NUM
eurjchem-2673	240	86	,	,	PUNCT
eurjchem-2673	240	87	p	p	NOUN
eurjchem-2673	240	88	)	)	PUNCT
eurjchem-2673	240	89	method	method	NOUN
eurjchem-2673	240	90	in	in	ADP
eurjchem-2673	240	91	the	the	DET
eurjchem-2673	240	92	ground	ground	NOUN
eurjchem-2673	240	93	state	state	NOUN
eurjchem-2673	240	94	(	(	PUNCT
eurjchem-2673	240	95	table	table	NOUN
eurjchem-2673	240	96	7	7	NUM
eurjchem-2673	240	97	)	)	PUNCT
eurjchem-2673	240	98	.	.	PUNCT
eurjchem-2673	241	1	the	the	DET
eurjchem-2673	241	2	determination	determination	NOUN
eurjchem-2673	241	3	of	of	ADP
eurjchem-2673	241	4	thermochemical	thermochemical	ADJ
eurjchem-2673	241	5	parameters	parameter	NOUN
eurjchem-2673	241	6	such	such	ADJ
eurjchem-2673	241	7	as	as	ADP
eurjchem-2673	241	8	the	the	DET
eurjchem-2673	241	9	standard	standard	ADJ
eurjchem-2673	241	10	heat	heat	NOUN
eurjchem-2673	241	11	capacity	capacity	NOUN
eurjchem-2673	241	12	of	of	ADP
eurjchem-2673	241	13	constant	constant	ADJ
eurjchem-2673	241	14	pressure	pressure	NOUN
eurjchem-2673	241	15	(	(	PUNCT
eurjchem-2673	241	16	cp	cp	NOUN
eurjchem-2673	241	17	)	)	PUNCT
eurjchem-2673	241	18	,	,	PUNCT
eurjchem-2673	241	19	enthalpy	enthalpy	NOUN
eurjchem-2673	241	20	(	(	PUNCT
eurjchem-2673	241	21	h	h	NOUN
eurjchem-2673	241	22	)	)	PUNCT
eurjchem-2673	241	23	and	and	CCONJ
eurjchem-2673	241	24	entropy	entropy	NOUN
eurjchem-2673	241	25	(	(	PUNCT
eurjchem-2673	241	26	s	s	NOUN
eurjchem-2673	241	27	)	)	PUNCT
eurjchem-2673	241	28	and	and	CCONJ
eurjchem-2673	241	29	identification	identification	NOUN
eurjchem-2673	241	30	of	of	ADP
eurjchem-2673	241	31	the	the	DET
eurjchem-2673	241	32	behavior	behavior	NOUN
eurjchem-2673	241	33	of	of	ADP
eurjchem-2673	241	34	chemical	chemical	NOUN
eurjchem-2673	241	35	compounds	compound	NOUN
eurjchem-2673	241	36	under	under	ADP
eurjchem-2673	241	37	temperature	temperature	NOUN
eurjchem-2673	241	38	is	be	AUX
eurjchem-2673	241	39	quite	quite	ADV
eurjchem-2673	241	40	important	important	ADJ
eurjchem-2673	241	41	[	[	X
eurjchem-2673	241	42	55	55	NUM
eurjchem-2673	241	43	]	]	PUNCT
eurjchem-2673	241	44	.	.	PUNCT
eurjchem-2673	242	1	properties	property	NOUN
eurjchem-2673	242	2	of	of	ADP
eurjchem-2673	242	3	interest	interest	NOUN
eurjchem-2673	242	4	exert	exert	VERB
eurjchem-2673	242	5	a	a	DET
eurjchem-2673	242	6	direct	direct	ADJ
eurjchem-2673	242	7	influence	influence	NOUN
eurjchem-2673	242	8	on	on	ADP
eurjchem-2673	242	9	the	the	DET
eurjchem-2673	242	10	vibrational	vibrational	ADJ
eurjchem-2673	242	11	dynamics	dynamic	NOUN
eurjchem-2673	242	12	between	between	ADP
eurjchem-2673	242	13	the	the	DET
eurjchem-2673	242	14	atoms	atom	NOUN
eurjchem-2673	242	15	within	within	ADP
eurjchem-2673	242	16	chemical	chemical	ADJ
eurjchem-2673	242	17	compounds	compound	NOUN
eurjchem-2673	242	18	.	.	PUNCT
eurjchem-2673	243	1	furthermore	furthermore	ADV
eurjchem-2673	243	2	,	,	PUNCT
eurjchem-2673	243	3	they	they	PRON
eurjchem-2673	243	4	play	play	VERB
eurjchem-2673	243	5	a	a	DET
eurjchem-2673	243	6	crucial	crucial	ADJ
eurjchem-2673	243	7	role	role	NOUN
eurjchem-2673	243	8	in	in	ADP
eurjchem-2673	243	9	the	the	DET
eurjchem-2673	243	10	assessment	assessment	NOUN
eurjchem-2673	243	11	of	of	ADP
eurjchem-2673	243	12	the	the	DET
eurjchem-2673	243	13	energy	energy	NOUN
eurjchem-2673	243	14	and	and	CCONJ
eurjchem-2673	243	15	heat	heat	NOUN
eurjchem-2673	243	16	associated	associate	VERB
eurjchem-2673	243	17	with	with	ADP
eurjchem-2673	243	18	both	both	DET
eurjchem-2673	243	19	chemical	chemical	ADJ
eurjchem-2673	243	20	reactions	reaction	NOUN
eurjchem-2673	243	21	and	and	CCONJ
eurjchem-2673	243	22	physical	physical	ADJ
eurjchem-2673	243	23	transformations	transformation	NOUN
eurjchem-2673	243	24	,	,	PUNCT
eurjchem-2673	243	25	as	as	SCONJ
eurjchem-2673	243	26	outlined	outline	VERB
eurjchem-2673	243	27	in	in	ADP
eurjchem-2673	243	28	table	table	NOUN
eurjchem-2673	243	29	8	8	NUM
eurjchem-2673	243	30	.	.	NOUN
eurjchem-2673	243	31	4	4	NUM
eurjchem-2673	243	32	.	.	PUNCT
eurjchem-2673	243	33	conclusions	conclusion	NOUN
eurjchem-2673	243	34	using	use	VERB
eurjchem-2673	243	35	a	a	DET
eurjchem-2673	243	36	different	different	ADJ
eurjchem-2673	243	37	route	route	NOUN
eurjchem-2673	243	38	,	,	PUNCT
eurjchem-2673	243	39	we	we	PRON
eurjchem-2673	243	40	synthesized	synthesize	VERB
eurjchem-2673	243	41	a	a	DET
eurjchem-2673	243	42	new	new	ADJ
eurjchem-2673	243	43	picrate	picrate	ADJ
eurjchem-2673	243	44	salt	salt	NOUN
eurjchem-2673	243	45	.	.	PUNCT
eurjchem-2673	244	1	ft	ft	PROPN
eurjchem-2673	244	2	-	-	PUNCT
eurjchem-2673	244	3	ir	ir	PROPN
eurjchem-2673	244	4	,	,	PUNCT
eurjchem-2673	244	5	1h	1h	NUM
eurjchem-2673	244	6	nmr	nmr	NOUN
eurjchem-2673	244	7	,	,	PUNCT
eurjchem-2673	244	8	and	and	CCONJ
eurjchem-2673	244	9	13c	13c	NOUN
eurjchem-2673	244	10	nmr	nmr	NOUN
eurjchem-2673	244	11	spectral	spectral	ADJ
eurjchem-2673	244	12	techniques	technique	NOUN
eurjchem-2673	244	13	were	be	AUX
eurjchem-2673	244	14	used	use	VERB
eurjchem-2673	244	15	to	to	PART
eurjchem-2673	244	16	characterize	characterize	VERB
eurjchem-2673	244	17	the	the	DET
eurjchem-2673	244	18	molecular	molecular	ADJ
eurjchem-2673	244	19	structure	structure	NOUN
eurjchem-2673	244	20	of	of	ADP
eurjchem-2673	244	21	the	the	DET
eurjchem-2673	244	22	title	title	NOUN
eurjchem-2673	244	23	compound	compound	NOUN
eurjchem-2673	244	24	.	.	PUNCT
eurjchem-2673	245	1	the	the	DET
eurjchem-2673	245	2	single	single	ADJ
eurjchem-2673	245	3	crystals	crystal	NOUN
eurjchem-2673	245	4	were	be	AUX
eurjchem-2673	245	5	deliberately	deliberately	ADV
eurjchem-2673	245	6	grown	grow	VERB
eurjchem-2673	245	7	using	use	VERB
eurjchem-2673	245	8	a	a	DET
eurjchem-2673	245	9	meticulous	meticulous	ADJ
eurjchem-2673	245	10	slow	slow	ADJ
eurjchem-2673	245	11	evaporation	evaporation	NOUN
eurjchem-2673	245	12	method	method	NOUN
eurjchem-2673	245	13	with	with	ADP
eurjchem-2673	245	14	tetrahydrofuran	tetrahydrofuran	NOUN
eurjchem-2673	245	15	as	as	ADP
eurjchem-2673	245	16	a	a	DET
eurjchem-2673	245	17	solvent	solvent	NOUN
eurjchem-2673	245	18	.	.	PUNCT
eurjchem-2673	246	1	the	the	DET
eurjchem-2673	246	2	molecular	molecular	ADJ
eurjchem-2673	246	3	form	form	NOUN
eurjchem-2673	246	4	was	be	AUX
eurjchem-2673	246	5	determined	determine	VERB
eurjchem-2673	246	6	conclusively	conclusively	ADV
eurjchem-2673	246	7	by	by	ADP
eurjchem-2673	246	8	rigorous	rigorous	ADJ
eurjchem-2673	246	9	x	x	ADJ
eurjchem-2673	246	10	-	-	NOUN
eurjchem-2673	246	11	ray	ray	NOUN
eurjchem-2673	246	12	structure	structure	NOUN
eurjchem-2673	246	13	analysis	analysis	NOUN
eurjchem-2673	246	14	,	,	PUNCT
eurjchem-2673	246	15	enabling	enable	VERB
eurjchem-2673	246	16	the	the	DET
eurjchem-2673	246	17	precise	precise	ADJ
eurjchem-2673	246	18	calculation	calculation	NOUN
eurjchem-2673	246	19	of	of	ADP
eurjchem-2673	246	20	geometrical	geometrical	ADJ
eurjchem-2673	246	21	parameters	parameter	NOUN
eurjchem-2673	246	22	.	.	PUNCT
eurjchem-2673	247	1	in	in	ADP
eurjchem-2673	247	2	general	general	ADJ
eurjchem-2673	247	3	,	,	PUNCT
eurjchem-2673	247	4	while	while	SCONJ
eurjchem-2673	247	5	the	the	DET
eurjchem-2673	247	6	formation	formation	NOUN
eurjchem-2673	247	7	of	of	ADP
eurjchem-2673	247	8	the	the	DET
eurjchem-2673	247	9	picrate	picrate	ADJ
eurjchem-2673	247	10	salt	salt	NOUN
eurjchem-2673	247	11	of	of	ADP
eurjchem-2673	247	12	the	the	DET
eurjchem-2673	247	13	aromatic	aromatic	ADJ
eurjchem-2673	247	14	amine	amine	NOUN
eurjchem-2673	247	15	is	be	AUX
eurjchem-2673	247	16	expected	expect	VERB
eurjchem-2673	247	17	,	,	PUNCT
eurjchem-2673	247	18	the	the	DET
eurjchem-2673	247	19	formation	formation	NOUN
eurjchem-2673	247	20	of	of	ADP
eurjchem-2673	247	21	the	the	DET
eurjchem-2673	247	22	picrate	picrate	ADJ
eurjchem-2673	247	23	salt	salt	NOUN
eurjchem-2673	247	24	of	of	ADP
eurjchem-2673	247	25	the	the	DET
eurjchem-2673	247	26	amine	amine	NOUN
eurjchem-2673	247	27	synthesized	synthesize	VERB
eurjchem-2673	247	28	through	through	ADP
eurjchem-2673	247	29	the	the	DET
eurjchem-2673	247	30	reactions	reaction	NOUN
eurjchem-2673	247	31	of	of	ADP
eurjchem-2673	247	32	substituted	substitute	VERB
eurjchem-2673	247	33	benzyne(pyridyne)-type	benzyne(pyridyne)-type	PROPN
eurjchem-2673	247	34	intermediates	intermediate	NOUN
eurjchem-2673	247	35	is	be	AUX
eurjchem-2673	247	36	assumed	assume	VERB
eurjchem-2673	247	37	according	accord	VERB
eurjchem-2673	247	38	to	to	ADP
eurjchem-2673	247	39	the	the	DET
eurjchem-2673	247	40	spectral	spectral	ADJ
eurjchem-2673	247	41	data	datum	NOUN
eurjchem-2673	247	42	.	.	PUNCT
eurjchem-2673	248	1	experimental	experimental	ADJ
eurjchem-2673	248	2	data	datum	NOUN
eurjchem-2673	248	3	such	such	ADJ
eurjchem-2673	248	4	as	as	ADP
eurjchem-2673	248	5	x	x	NOUN
eurjchem-2673	248	6	-	-	NOUN
eurjchem-2673	248	7	ray	ray	NOUN
eurjchem-2673	248	8	,	,	PUNCT
eurjchem-2673	248	9	ftir	ftir	NOUN
eurjchem-2673	248	10	,	,	PUNCT
eurjchem-2673	248	11	and	and	CCONJ
eurjchem-2673	248	12	raman	raman	VERB
eurjchem-2673	248	13	with	with	ADP
eurjchem-2673	248	14	optimized	optimize	VERB
eurjchem-2673	248	15	geometric	geometric	ADJ
eurjchem-2673	248	16	parameters	parameter	NOUN
eurjchem-2673	248	17	,	,	PUNCT
eurjchem-2673	248	18	and	and	CCONJ
eurjchem-2673	248	19	the	the	DET
eurjchem-2673	248	20	vibrational	vibrational	ADJ
eurjchem-2673	248	21	frequency	frequency	NOUN
eurjchem-2673	248	22	data	datum	NOUN
eurjchem-2673	248	23	obtained	obtain	VERB
eurjchem-2673	248	24	as	as	ADP
eurjchem-2673	248	25	the	the	DET
eurjchem-2673	248	26	theoretical	theoretical	ADJ
eurjchem-2673	248	27	calculations	calculation	NOUN
eurjchem-2673	248	28	have	have	AUX
eurjchem-2673	248	29	been	be	AUX
eurjchem-2673	248	30	tested	test	VERB
eurjchem-2673	248	31	using	use	VERB
eurjchem-2673	248	32	the	the	DET
eurjchem-2673	248	33	b3lyp/6311	b3lyp/6311	PROPN
eurjchem-2673	248	34	g	g	PROPN
eurjchem-2673	248	35	(	(	PUNCT
eurjchem-2673	248	36	d	d	PROPN
eurjchem-2673	248	37	,	,	PUNCT
eurjchem-2673	248	38	p	p	NOUN
eurjchem-2673	248	39	)	)	PUNCT
eurjchem-2673	248	40	basis	basis	NOUN
eurjchem-2673	248	41	set	set	NOUN
eurjchem-2673	248	42	.	.	PUNCT
eurjchem-2673	249	1	furthermore	furthermore	ADV
eurjchem-2673	249	2	,	,	PUNCT
eurjchem-2673	249	3	using	use	VERB
eurjchem-2673	249	4	these	these	DET
eurjchem-2673	249	5	data	datum	NOUN
eurjchem-2673	249	6	,	,	PUNCT
eurjchem-2673	249	7	the	the	DET
eurjchem-2673	249	8	analysis	analysis	NOUN
eurjchem-2673	249	9	of	of	ADP
eurjchem-2673	249	10	homo	homo	NOUN
eurjchem-2673	249	11	and	and	CCONJ
eurjchem-2673	249	12	lumo	lumo	NOUN
eurjchem-2673	249	13	energy	energy	NOUN
eurjchem-2673	249	14	,	,	PUNCT
eurjchem-2673	249	15	electronegativity	electronegativity	NOUN
eurjchem-2673	249	16	(	(	PUNCT
eurjchem-2673	249	17	χ	χ	NOUN
eurjchem-2673	249	18	)	)	PUNCT
eurjchem-2673	249	19	,	,	PUNCT
eurjchem-2673	249	20	hardness	hardness	X
eurjchem-2673	249	21	(	(	PUNCT
eurjchem-2673	249	22	η	η	NOUN
eurjchem-2673	249	23	)	)	PUNCT
eurjchem-2673	249	24	,	,	PUNCT
eurjchem-2673	249	25	softness	softness	NOUN
eurjchem-2673	249	26	(	(	PUNCT
eurjchem-2673	249	27	s	s	NOUN
eurjchem-2673	249	28	)	)	PUNCT
eurjchem-2673	249	29	,	,	PUNCT
eurjchem-2673	249	30	mep	mep	PROPN
eurjchem-2673	249	31	and	and	CCONJ
eurjchem-2673	249	32	nbo	nbo	PROPN
eurjchem-2673	249	33	of	of	ADP
eurjchem-2673	249	34	the	the	DET
eurjchem-2673	249	35	picrate	picrate	ADJ
eurjchem-2673	249	36	compound	compound	NOUN
eurjchem-2673	249	37	were	be	AUX
eurjchem-2673	249	38	also	also	ADV
eurjchem-2673	249	39	calculated	calculate	VERB
eurjchem-2673	249	40	.	.	PUNCT
eurjchem-2673	250	1	the	the	DET
eurjchem-2673	250	2	properties	property	NOUN
eurjchem-2673	250	3	of	of	ADP
eurjchem-2673	250	4	interest	interest	NOUN
eurjchem-2673	250	5	directly	directly	ADV
eurjchem-2673	250	6	affect	affect	VERB
eurjchem-2673	250	7	the	the	DET
eurjchem-2673	250	8	vibrational	vibrational	ADJ
eurjchem-2673	250	9	dynamics	dynamic	NOUN
eurjchem-2673	250	10	of	of	ADP
eurjchem-2673	250	11	atoms	atom	NOUN
eurjchem-2673	250	12	within	within	ADP
eurjchem-2673	250	13	chemical	chemical	ADJ
eurjchem-2673	250	14	compounds	compound	NOUN
eurjchem-2673	250	15	.	.	PUNCT
eurjchem-2673	251	1	these	these	DET
eurjchem-2673	251	2	measurements	measurement	NOUN
eurjchem-2673	251	3	are	be	AUX
eurjchem-2673	251	4	essential	essential	ADJ
eurjchem-2673	251	5	for	for	ADP
eurjchem-2673	251	6	evaluating	evaluate	VERB
eurjchem-2673	251	7	energy	energy	NOUN
eurjchem-2673	251	8	transfer	transfer	NOUN
eurjchem-2673	251	9	and	and	CCONJ
eurjchem-2673	251	10	thermal	thermal	ADJ
eurjchem-2673	251	11	changes	change	NOUN
eurjchem-2673	251	12	during	during	ADP
eurjchem-2673	251	13	chemical	chemical	ADJ
eurjchem-2673	251	14	reactions	reaction	NOUN
eurjchem-2673	251	15	and	and	CCONJ
eurjchem-2673	251	16	physical	physical	ADJ
eurjchem-2673	251	17	transformations	transformation	NOUN
eurjchem-2673	251	18	.	.	PUNCT
eurjchem-2673	252	1	a	a	DET
eurjchem-2673	252	2	thorough	thorough	ADJ
eurjchem-2673	252	3	analysis	analysis	NOUN
eurjchem-2673	252	4	of	of	ADP
eurjchem-2673	252	5	these	these	DET
eurjchem-2673	252	6	processes	process	NOUN
eurjchem-2673	252	7	provides	provide	VERB
eurjchem-2673	252	8	valuable	valuable	ADJ
eurjchem-2673	252	9	insights	insight	NOUN
eurjchem-2673	252	10	into	into	ADP
eurjchem-2673	252	11	the	the	DET
eurjchem-2673	252	12	interactions	interaction	NOUN
eurjchem-2673	252	13	among	among	ADP
eurjchem-2673	252	14	substances	substance	NOUN
eurjchem-2673	252	15	,	,	PUNCT
eurjchem-2673	252	16	such	such	ADJ
eurjchem-2673	252	17	as	as	ADP
eurjchem-2673	252	18	the	the	DET
eurjchem-2673	252	19	mechanisms	mechanism	NOUN
eurjchem-2673	252	20	by	by	ADP
eurjchem-2673	252	21	which	which	PRON
eurjchem-2673	252	22	energy	energy	NOUN
eurjchem-2673	252	23	is	be	AUX
eurjchem-2673	252	24	absorbed	absorb	VERB
eurjchem-2673	252	25	or	or	CCONJ
eurjchem-2673	252	26	released	release	VERB
eurjchem-2673	252	27	.	.	PUNCT
eurjchem-2673	253	1	tg	tg	PROPN
eurjchem-2673	253	2	-	-	PUNCT
eurjchem-2673	253	3	dtg	dtg	PROPN
eurjchem-2673	253	4	analysis	analysis	NOUN
eurjchem-2673	253	5	demonstrated	demonstrate	VERB
eurjchem-2673	253	6	the	the	DET
eurjchem-2673	253	7	thermal	thermal	ADJ
eurjchem-2673	253	8	stability	stability	NOUN
eurjchem-2673	253	9	of	of	ADP
eurjchem-2673	253	10	the	the	DET
eurjchem-2673	253	11	2	2	NUM
eurjchem-2673	253	12	-	-	PUNCT
eurjchem-2673	253	13	pyrtppc	pyrtppc	NOUN
eurjchem-2673	253	14	crystal	crystal	NOUN
eurjchem-2673	253	15	and	and	CCONJ
eurjchem-2673	253	16	indicated	indicate	VERB
eurjchem-2673	253	17	its	its	PRON
eurjchem-2673	253	18	good	good	ADJ
eurjchem-2673	253	19	crystallinity	crystallinity	NOUN
eurjchem-2673	253	20	with	with	ADP
eurjchem-2673	253	21	single	single	ADJ
eurjchem-2673	253	22	-	-	PUNCT
eurjchem-2673	253	23	stage	stage	NOUN
eurjchem-2673	253	24	decomposition	decomposition	NOUN
eurjchem-2673	253	25	.	.	PUNCT
eurjchem-2673	254	1	acknowledgements	acknowledgement	NOUN
eurjchem-2673	254	2	we	we	PRON
eurjchem-2673	254	3	are	be	AUX
eurjchem-2673	254	4	also	also	ADV
eurjchem-2673	254	5	grateful	grateful	ADJ
eurjchem-2673	254	6	to	to	PART
eurjchem-2673	254	7	tubitak	tubitak	VERB
eurjchem-2673	254	8	ulakbim	ulakbim	NOUN
eurjchem-2673	254	9	,	,	PUNCT
eurjchem-2673	254	10	the	the	DET
eurjchem-2673	254	11	high	high	ADJ
eurjchem-2673	254	12	performance	performance	NOUN
eurjchem-2673	254	13	and	and	CCONJ
eurjchem-2673	254	14	grid	grid	NOUN
eurjchem-2673	254	15	computing	computing	NOUN
eurjchem-2673	254	16	center	center	NOUN
eurjchem-2673	254	17	(	(	PUNCT
eurjchem-2673	254	18	truba	truba	PROPN
eurjchem-2673	254	19	resources	resource	NOUN
eurjchem-2673	254	20	)	)	PUNCT
eurjchem-2673	254	21	.	.	PUNCT
eurjchem-2673	255	1	credit	credit	NOUN
eurjchem-2673	255	2	authorship	authorship	NOUN
eurjchem-2673	255	3	contribution	contribution	NOUN
eurjchem-2673	255	4	statement	statement	NOUN
eurjchem-2673	255	5	conceptualization	conceptualization	NOUN
eurjchem-2673	255	6	:	:	PUNCT
eurjchem-2673	255	7	fatma	fatma	PROPN
eurjchem-2673	255	8	aydin	aydin	NOUN
eurjchem-2673	255	9	;	;	PUNCT
eurjchem-2673	255	10	methodology	methodology	NOUN
eurjchem-2673	255	11	:	:	PUNCT
eurjchem-2673	255	12	fatma	fatma	PROPN
eurjchem-2673	255	13	aydin	aydin	PROPN
eurjchem-2673	255	14	;	;	PUNCT
eurjchem-2673	255	15	software	software	NOUN
eurjchem-2673	255	16	:	:	PUNCT
eurjchem-2673	256	1	asli	asli	PROPN
eurjchem-2673	256	2	ozturk	ozturk	PROPN
eurjchem-2673	256	3	kiraz	kiraz	PROPN
eurjchem-2673	256	4	;	;	PUNCT
eurjchem-2673	256	5	validation	validation	NOUN
eurjchem-2673	256	6	:	:	PUNCT
eurjchem-2673	256	7	fatma	fatma	PROPN
eurjchem-2673	256	8	aydin	aydin	PROPN
eurjchem-2673	256	9	,	,	PUNCT
eurjchem-2673	256	10	asli	asli	PROPN
eurjchem-2673	256	11	ozturk	ozturk	PROPN
eurjchem-2673	256	12	kiraz	kiraz	PROPN
eurjchem-2673	256	13	;	;	PUNCT
eurjchem-2673	256	14	formal	formal	ADJ
eurjchem-2673	256	15	analysis	analysis	NOUN
eurjchem-2673	256	16	:	:	PUNCT
eurjchem-2673	256	17	asli	asli	PROPN
eurjchem-2673	256	18	ozturk	ozturk	PROPN
eurjchem-2673	256	19	kiraz	kiraz	PROPN
eurjchem-2673	256	20	;	;	PUNCT
eurjchem-2673	256	21	investigation	investigation	NOUN
eurjchem-2673	256	22	:	:	PUNCT
eurjchem-2673	256	23	fatma	fatma	PROPN
eurjchem-2673	256	24	aydin	aydin	PROPN
eurjchem-2673	256	25	;	;	PUNCT
eurjchem-2673	256	26	resources	resource	NOUN
eurjchem-2673	256	27	:	:	PUNCT
eurjchem-2673	256	28	fatma	fatma	PROPN
eurjchem-2673	256	29	aydin	aydin	PROPN
eurjchem-2673	256	30	;	;	PUNCT
eurjchem-2673	256	31	data	datum	NOUN
eurjchem-2673	256	32	curation	curation	NOUN
eurjchem-2673	256	33	:	:	PUNCT
eurjchem-2673	256	34	fatma	fatma	PROPN
eurjchem-2673	256	35	aydin	aydin	PROPN
eurjchem-2673	256	36	,	,	PUNCT
eurjchem-2673	256	37	asli	asli	PROPN
eurjchem-2673	256	38	ozturk	ozturk	PROPN
eurjchem-2673	256	39	kiraz	kiraz	PROPN
eurjchem-2673	256	40	;	;	PUNCT
eurjchem-2673	256	41	writing	write	VERB
eurjchem-2673	256	42	-	-	PUNCT
eurjchem-2673	256	43	original	original	ADJ
eurjchem-2673	256	44	draft	draft	NOUN
eurjchem-2673	256	45	:	:	PUNCT
eurjchem-2673	256	46	fatma	fatma	PROPN
eurjchem-2673	256	47	aydin	aydin	PROPN
eurjchem-2673	256	48	,	,	PUNCT
eurjchem-2673	256	49	asli	asli	PROPN
eurjchem-2673	256	50	ozturk	ozturk	PROPN
eurjchem-2673	256	51	kiraz	kiraz	PROPN
eurjchem-2673	256	52	;	;	PUNCT
eurjchem-2673	256	53	writing	write	VERB
eurjchem-2673	256	54	-	-	PUNCT
eurjchem-2673	256	55	review	review	NOUN
eurjchem-2673	256	56	and	and	CCONJ
eurjchem-2673	256	57	editing	editing	NOUN
eurjchem-2673	256	58	:	:	PUNCT
eurjchem-2673	256	59	fatma	fatma	PROPN
eurjchem-2673	256	60	aydin	aydin	PROPN
eurjchem-2673	256	61	,	,	PUNCT
eurjchem-2673	256	62	asli	asli	PROPN
eurjchem-2673	256	63	ozturk	ozturk	PROPN
eurjchem-2673	256	64	kiraz	kiraz	PROPN
eurjchem-2673	256	65	;	;	PUNCT
eurjchem-2673	256	66	visualization	visualization	NOUN
eurjchem-2673	256	67	:	:	PUNCT
eurjchem-2673	256	68	fatma	fatma	PROPN
eurjchem-2673	256	69	aydin	aydin	PROPN
eurjchem-2673	256	70	,	,	PUNCT
eurjchem-2673	256	71	asli	asli	PROPN
eurjchem-2673	256	72	ozturk	ozturk	PROPN
eurjchem-2673	256	73	kiraz	kiraz	PROPN
eurjchem-2673	256	74	;	;	PUNCT
eurjchem-2673	256	75	funding	funding	NOUN
eurjchem-2673	256	76	acquisition	acquisition	NOUN
eurjchem-2673	256	77	:	:	PUNCT
eurjchem-2673	256	78	fatma	fatma	PROPN
eurjchem-2673	256	79	aydin	aydin	PROPN
eurjchem-2673	256	80	,	,	PUNCT
eurjchem-2673	256	81	asli	asli	PROPN
eurjchem-2673	256	82	ozturk	ozturk	PROPN
eurjchem-2673	256	83	kiraz	kiraz	PROPN
eurjchem-2673	256	84	;	;	PUNCT
eurjchem-2673	256	85	project	project	NOUN
eurjchem-2673	256	86	administration	administration	NOUN
eurjchem-2673	256	87	:	:	PUNCT
eurjchem-2673	256	88	fatma	fatma	PROPN
eurjchem-2673	256	89	aydin	aydin	PROPN
eurjchem-2673	256	90	.	.	PUNCT
eurjchem-2673	257	1	disclosure	disclosure	NOUN
eurjchem-2673	257	2	statement	statement	NOUN
eurjchem-2673	257	3	conflict	conflict	NOUN
eurjchem-2673	257	4	of	of	ADP
eurjchem-2673	257	5	interest	interest	NOUN
eurjchem-2673	257	6	:	:	PUNCT
eurjchem-2673	257	7	the	the	DET
eurjchem-2673	257	8	authors	author	NOUN
eurjchem-2673	257	9	declare	declare	VERB
eurjchem-2673	257	10	no	no	DET
eurjchem-2673	257	11	financial	financial	ADJ
eurjchem-2673	257	12	interest	interest	NOUN
eurjchem-2673	257	13	/	/	SYM
eurjchem-2673	257	14	personal	personal	ADJ
eurjchem-2673	257	15	relationships	relationship	NOUN
eurjchem-2673	257	16	which	which	PRON
eurjchem-2673	257	17	may	may	AUX
eurjchem-2673	257	18	be	be	AUX
eurjchem-2673	257	19	considered	consider	VERB
eurjchem-2673	257	20	as	as	ADP
eurjchem-2673	257	21	potential	potential	ADJ
eurjchem-2673	257	22	competing	compete	VERB
eurjchem-2673	257	23	interests	interest	NOUN
eurjchem-2673	257	24	.	.	PUNCT
eurjchem-2673	258	1	ethical	ethical	ADJ
eurjchem-2673	258	2	approval	approval	NOUN
eurjchem-2673	258	3	:	:	PUNCT
eurjchem-2673	259	1	all	all	DET
eurjchem-2673	259	2	ethical	ethical	ADJ
eurjchem-2673	259	3	guidelines	guideline	NOUN
eurjchem-2673	259	4	have	have	AUX
eurjchem-2673	259	5	been	be	AUX
eurjchem-2673	259	6	adhered	adhere	VERB
eurjchem-2673	259	7	.	.	PUNCT
eurjchem-2673	260	1	sample	sample	NOUN
eurjchem-2673	260	2	availability	availability	NOUN
eurjchem-2673	260	3	:	:	PUNCT
eurjchem-2673	260	4	samples	sample	NOUN
eurjchem-2673	260	5	of	of	ADP
eurjchem-2673	260	6	the	the	DET
eurjchem-2673	260	7	compounds	compound	NOUN
eurjchem-2673	260	8	are	be	AUX
eurjchem-2673	260	9	available	available	ADJ
eurjchem-2673	260	10	from	from	ADP
eurjchem-2673	260	11	the	the	DET
eurjchem-2673	260	12	author	author	NOUN
eurjchem-2673	260	13	.	.	PUNCT
eurjchem-2673	261	1	supporting	support	VERB
eurjchem-2673	261	2	information	information	NOUN
eurjchem-2673	261	3	ccdc-2335699	ccdc-2335699	NOUN
eurjchem-2673	261	4	contains	contain	VERB
eurjchem-2673	261	5	the	the	DET
eurjchem-2673	261	6	supplementary	supplementary	ADJ
eurjchem-2673	261	7	crystallographic	crystallographic	ADJ
eurjchem-2673	261	8	data	datum	NOUN
eurjchem-2673	261	9	for	for	ADP
eurjchem-2673	261	10	the	the	DET
eurjchem-2673	261	11	structure	structure	NOUN
eurjchem-2673	261	12	reported	report	VERB
eurjchem-2673	261	13	in	in	ADP
eurjchem-2673	261	14	this	this	DET
eurjchem-2673	261	15	article	article	NOUN
eurjchem-2673	261	16	.	.	PUNCT
eurjchem-2673	262	1	these	these	DET
eurjchem-2673	262	2	data	datum	NOUN
eurjchem-2673	262	3	can	can	AUX
eurjchem-2673	262	4	be	be	AUX
eurjchem-2673	262	5	obtained	obtain	VERB
eurjchem-2673	262	6	free	free	ADJ
eurjchem-2673	262	7	of	of	ADP
eurjchem-2673	262	8	charge	charge	NOUN
eurjchem-2673	262	9	via	via	ADP
eurjchem-2673	262	10	http://www.ccdc.cam.ac.uk/data_request/cif	http://www.ccdc.cam.ac.uk/data_request/cif	PROPN
eurjchem-2673	262	11	,	,	PUNCT
eurjchem-2673	262	12	by	by	ADP
eurjchem-2673	262	13	e	e	NOUN
eurjchem-2673	262	14	-	-	ADJ
eurjchem-2673	262	15	mailing	mailing	ADJ
eurjchem-2673	262	16	data_request	data_requ	ADJ
eurjchem-2673	262	17	@ccdc.cam.ac.uk	@ccdc.cam.ac.uk	PROPN
eurjchem-2673	262	18	or	or	CCONJ
eurjchem-2673	262	19	by	by	ADP
eurjchem-2673	262	20	contacting	contact	VERB
eurjchem-2673	262	21	the	the	DET
eurjchem-2673	262	22	cambridge	cambridge	PROPN
eurjchem-2673	262	23	crystallographic	crystallographic	PROPN
eurjchem-2673	262	24	data	data	PROPN
eurjchem-2673	262	25	centre	centre	NOUN
eurjchem-2673	262	26	,	,	PUNCT
eurjchem-2673	262	27	12	12	NUM
eurjchem-2673	262	28	,	,	PUNCT
eurjchem-2673	262	29	union	union	NOUN
eurjchem-2673	262	30	road	road	NOUN
eurjchem-2673	262	31	,	,	PUNCT
eurjchem-2673	262	32	cambridge	cambridge	PROPN
eurjchem-2673	262	33	cb2	cb2	PROPN
eurjchem-2673	262	34	1ez	1ez	PROPN
eurjchem-2673	262	35	,	,	PUNCT
eurjchem-2673	262	36	uk	uk	PROPN
eurjchem-2673	262	37	;	;	PUNCT
eurjchem-2673	262	38	fax:+44	fax:+44	NOUN
eurjchem-2673	262	39	-	-	PUNCT
eurjchem-2673	262	40	1223	1223	NUM
eurjchem-2673	262	41	-	-	PUNCT
eurjchem-2673	262	42	336033	336033	NUM
eurjchem-2673	262	43	.	.	PUNCT
eurjchem-2673	263	1	funding	fund	VERB
eurjchem-2673	263	2	this	this	DET
eurjchem-2673	263	3	work	work	NOUN
eurjchem-2673	263	4	was	be	AUX
eurjchem-2673	263	5	financially	financially	ADV
eurjchem-2673	263	6	supported	support	VERB
eurjchem-2673	263	7	by	by	ADP
eurjchem-2673	263	8	the	the	DET
eurjchem-2673	263	9	çanakkale	çanakkale	NOUN
eurjchem-2673	263	10	onsekiz	onsekiz	PROPN
eurjchem-2673	263	11	mart	mart	PROPN
eurjchem-2673	263	12	university	university	PROPN
eurjchem-2673	263	13	(	(	PUNCT
eurjchem-2673	263	14	grant	grant	PROPN
eurjchem-2673	263	15	number	number	NOUN
eurjchem-2673	263	16	:	:	PUNCT
eurjchem-2673	263	17	fba-2016	fba-2016	NOUN
eurjchem-2673	263	18	-	-	PUNCT
eurjchem-2673	263	19	672	672	NUM
eurjchem-2673	263	20	)	)	PUNCT
eurjchem-2673	263	21	and	and	CCONJ
eurjchem-2673	263	22	pamukkale	pamukkale	PROPN
eurjchem-2673	263	23	university	university	PROPN
eurjchem-2673	263	24	(	(	PUNCT
eurjchem-2673	263	25	grant	grant	NOUN
eurjchem-2673	263	26	numbers	number	NOUN
eurjchem-2673	263	27	:	:	PUNCT
eurjchem-2673	263	28	2018febe002	2018febe002	NUM
eurjchem-2673	263	29	and	and	CCONJ
eurjchem-2673	263	30	2020febe012	2020febe012	NUM
eurjchem-2673	263	31	)	)	PUNCT
eurjchem-2673	263	32	.	.	PUNCT
eurjchem-2673	264	1	orcid	orcid	NOUN
eurjchem-2673	264	2	and	and	CCONJ
eurjchem-2673	264	3	email	email	NOUN
eurjchem-2673	264	4	fatma	fatma	PROPN
eurjchem-2673	264	5	aydin	aydin	PROPN
eurjchem-2673	264	6	faydin@comu.edu.tr	faydin@comu.edu.tr	PROPN
eurjchem-2673	264	7	https://orcid.org/0000-0002-7219-6407	https://orcid.org/0000-0002-7219-6407	PROPN
eurjchem-2673	264	8	asli	asli	PROPN
eurjchem-2673	264	9	ozturk	ozturk	PROPN
eurjchem-2673	264	10	kiraz	kiraz	PROPN
eurjchem-2673	264	11	aslio@pau.edu.tr	aslio@pau.edu.tr	PROPN
eurjchem-2673	264	12	https://orcid.org/0000-0001-9837-0779	https://orcid.org/0000-0001-9837-0779	PROPN
eurjchem-2673	264	13	references	reference	NOUN
eurjchem-2673	264	14	[	[	X
eurjchem-2673	264	15	1	1	NUM
eurjchem-2673	264	16	]	]	PUNCT
eurjchem-2673	264	17	.	.	PUNCT
eurjchem-2673	265	1	moran	moran	PROPN
eurjchem-2673	265	2	,	,	PUNCT
eurjchem-2673	265	3	d.	d.	PROPN
eurjchem-2673	265	4	;	;	PUNCT
eurjchem-2673	265	5	sukcharoenphon	sukcharoenphon	PROPN
eurjchem-2673	265	6	,	,	PUNCT
eurjchem-2673	265	7	k.	k.	PROPN
eurjchem-2673	265	8	;	;	PUNCT
eurjchem-2673	265	9	puchta	puchta	PROPN
eurjchem-2673	265	10	,	,	PUNCT
eurjchem-2673	265	11	r.	r.	PROPN
eurjchem-2673	265	12	;	;	PUNCT
eurjchem-2673	265	13	schaefer	schaefer	PROPN
eurjchem-2673	265	14	,	,	PUNCT
eurjchem-2673	265	15	h.	h.	PROPN
eurjchem-2673	265	16	f.	f.	PROPN
eurjchem-2673	265	17	;	;	PUNCT
eurjchem-2673	265	18	schleyer	schleyer	PROPN
eurjchem-2673	265	19	,	,	PUNCT
eurjchem-2673	265	20	p.	p.	NOUN
eurjchem-2673	265	21	v.	v.	PROPN
eurjchem-2673	265	22	;	;	PUNCT
eurjchem-2673	265	23	hoff	hoff	PROPN
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eurjchem-2673	265	25	c.	c.	PROPN
eurjchem-2673	265	26	d.	d.	PROPN
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eurjchem-2673	265	28	-	-	PUNCT
eurjchem-2673	265	29	pyridinethiol/2	pyridinethiol/2	NOUN
eurjchem-2673	265	30	-	-	PUNCT
eurjchem-2673	265	31	pyridinethione	pyridinethione	ADJ
eurjchem-2673	265	32	tautomeric	tautomeric	ADJ
eurjchem-2673	265	33	equilibrium	equilibrium	NOUN
eurjchem-2673	265	34	.	.	PUNCT
eurjchem-2673	266	1	a	a	DET
eurjchem-2673	266	2	comparative	comparative	ADJ
eurjchem-2673	266	3	experimental	experimental	ADJ
eurjchem-2673	266	4	and	and	CCONJ
eurjchem-2673	266	5	computational	computational	ADJ
eurjchem-2673	266	6	study	study	NOUN
eurjchem-2673	266	7	.	.	PUNCT
eurjchem-2673	267	1	j.	j.	PROPN
eurjchem-2673	267	2	org	org	PROPN
eurjchem-2673	267	3	.	.	PUNCT
eurjchem-2673	267	4	chem	chem	PROPN
eurjchem-2673	267	5	.	.	PUNCT
eurjchem-2673	268	1	2002	2002	NUM
eurjchem-2673	268	2	,	,	PUNCT
eurjchem-2673	268	3	67	67	NUM
eurjchem-2673	268	4	(	(	PUNCT
eurjchem-2673	268	5	25	25	NUM
eurjchem-2673	268	6	)	)	PUNCT
eurjchem-2673	268	7	,	,	PUNCT
eurjchem-2673	268	8	9061–9069	9061–9069	NUM
eurjchem-2673	268	9	.	.	PUNCT
eurjchem-2673	269	1	[	[	X
eurjchem-2673	269	2	2	2	NUM
eurjchem-2673	269	3	]	]	PUNCT
eurjchem-2673	269	4	.	.	PUNCT
eurjchem-2673	270	1	jones	jones	PROPN
eurjchem-2673	270	2	,	,	PUNCT
eurjchem-2673	270	3	r.	r.	PROPN
eurjchem-2673	270	4	a.	a.	PROPN
eurjchem-2673	270	5	;	;	PUNCT
eurjchem-2673	270	6	katritzky	katritzky	PROPN
eurjchem-2673	270	7	,	,	PUNCT
eurjchem-2673	270	8	a.	a.	PROPN
eurjchem-2673	270	9	r.	r.	PROPN
eurjchem-2673	270	10	721	721	NUM
eurjchem-2673	270	11	.	.	PUNCT
eurjchem-2673	271	1	tautomeric	tautomeric	ADJ
eurjchem-2673	271	2	pyridines	pyridine	NOUN
eurjchem-2673	271	3	.	.	PUNCT
eurjchem-2673	272	1	part	part	PROPN
eurjchem-2673	272	2	i.	i.	PROPN
eurjchem-2673	272	3	pyrid-2	pyrid-2	NUM
eurjchem-2673	272	4	and	and	CCONJ
eurjchem-2673	272	5	-4	-4	INTJ
eurjchem-2673	272	6	-	-	PUNCT
eurjchem-2673	272	7	thione	thione	NOUN
eurjchem-2673	272	8	.	.	PUNCT
eurjchem-2673	273	1	j.	j.	PROPN
eurjchem-2673	273	2	chem	chem	PROPN
eurjchem-2673	273	3	.	.	PUNCT
eurjchem-2673	274	1	soc	soc	PROPN
eurjchem-2673	274	2	.	.	PUNCT
eurjchem-2673	275	1	1958	1958	NUM
eurjchem-2673	275	2	,	,	PUNCT
eurjchem-2673	275	3	3610	3610	NUM
eurjchem-2673	275	4	.	.	PUNCT
eurjchem-2673	276	1	[	[	X
eurjchem-2673	276	2	3	3	NUM
eurjchem-2673	276	3	]	]	PUNCT
eurjchem-2673	276	4	.	.	PUNCT
eurjchem-2673	277	1	barton	barton	PROPN
eurjchem-2673	277	2	,	,	PUNCT
eurjchem-2673	277	3	d.	d.	PROPN
eurjchem-2673	277	4	h.	h.	PROPN
eurjchem-2673	277	5	;	;	PUNCT
eurjchem-2673	277	6	hesse	hesse	PROPN
eurjchem-2673	277	7	,	,	PUNCT
eurjchem-2673	277	8	r.	r.	PROPN
eurjchem-2673	277	9	h.	h.	PROPN
eurjchem-2673	277	10	;	;	PUNCT
eurjchem-2673	277	11	o'sullivan	o'sullivan	PROPN
eurjchem-2673	277	12	,	,	PUNCT
eurjchem-2673	277	13	a.	a.	PROPN
eurjchem-2673	277	14	c.	c.	PROPN
eurjchem-2673	277	15	;	;	PUNCT
eurjchem-2673	277	16	pechet	pechet	NOUN
eurjchem-2673	277	17	,	,	PUNCT
eurjchem-2673	277	18	m.	m.	NOUN
eurjchem-2673	277	19	m.	m.	NOUN
eurjchem-2673	277	20	a	a	DET
eurjchem-2673	277	21	new	new	ADJ
eurjchem-2673	277	22	procedure	procedure	NOUN
eurjchem-2673	277	23	for	for	ADP
eurjchem-2673	277	24	the	the	DET
eurjchem-2673	277	25	conversion	conversion	NOUN
eurjchem-2673	277	26	of	of	ADP
eurjchem-2673	277	27	thiols	thiol	NOUN
eurjchem-2673	277	28	into	into	ADP
eurjchem-2673	277	29	reactive	reactive	ADJ
eurjchem-2673	277	30	sulfenylating	sulfenylating	NOUN
eurjchem-2673	277	31	agents	agent	NOUN
eurjchem-2673	277	32	.	.	PUNCT
eurjchem-2673	278	1	j.	j.	PROPN
eurjchem-2673	278	2	org	org	PROPN
eurjchem-2673	278	3	.	.	PUNCT
eurjchem-2673	278	4	chem	chem	PROPN
eurjchem-2673	278	5	.	.	PUNCT
eurjchem-2673	279	1	1991	1991	NUM
eurjchem-2673	279	2	,	,	PUNCT
eurjchem-2673	279	3	56	56	NUM
eurjchem-2673	279	4	(	(	PUNCT
eurjchem-2673	279	5	23	23	NUM
eurjchem-2673	279	6	)	)	PUNCT
eurjchem-2673	279	7	,	,	PUNCT
eurjchem-2673	279	8	6697–6702	6697–6702	NUM
eurjchem-2673	279	9	.	.	PUNCT
eurjchem-2673	280	1	[	[	X
eurjchem-2673	280	2	4	4	NUM
eurjchem-2673	280	3	]	]	PUNCT
eurjchem-2673	280	4	.	.	PUNCT
eurjchem-2673	281	1	hoogerheide	hoogerheide	PROPN
eurjchem-2673	281	2	,	,	PUNCT
eurjchem-2673	281	3	j.	j.	PROPN
eurjchem-2673	281	4	;	;	PUNCT
eurjchem-2673	281	5	scott	scott	PROPN
eurjchem-2673	281	6	,	,	PUNCT
eurjchem-2673	281	7	r.	r.	PROPN
eurjchem-2673	281	8	use	use	NOUN
eurjchem-2673	281	9	of	of	ADP
eurjchem-2673	281	10	2	2	NUM
eurjchem-2673	281	11	-	-	PUNCT
eurjchem-2673	281	12	mercaptopyridine	mercaptopyridine	NOUN
eurjchem-2673	281	13	for	for	ADP
eurjchem-2673	281	14	the	the	DET
eurjchem-2673	281	15	determination	determination	NOUN
eurjchem-2673	281	16	of	of	ADP
eurjchem-2673	281	17	alkylating	alkylate	VERB
eurjchem-2673	281	18	agents	agent	NOUN
eurjchem-2673	281	19	in	in	ADP
eurjchem-2673	281	20	complex	complex	ADJ
eurjchem-2673	281	21	matrices	matrix	NOUN
eurjchem-2673	281	22	:	:	PUNCT
eurjchem-2673	281	23	application	application	NOUN
eurjchem-2673	281	24	to	to	ADP
eurjchem-2673	281	25	dimethyl	dimethyl	NOUN
eurjchem-2673	281	26	sulfate	sulfate	NOUN
eurjchem-2673	281	27	.	.	PUNCT
eurjchem-2673	282	1	talanta	talanta	PROPN
eurjchem-2673	282	2	2005	2005	NUM
eurjchem-2673	282	3	,	,	PUNCT
eurjchem-2673	282	4	65	65	NUM
eurjchem-2673	282	5	(	(	PUNCT
eurjchem-2673	282	6	2	2	NUM
eurjchem-2673	282	7	)	)	PUNCT
eurjchem-2673	282	8	,	,	PUNCT
eurjchem-2673	282	9	453–460	453–460	NUM
eurjchem-2673	282	10	.	.	PUNCT
eurjchem-2673	283	1	[	[	X
eurjchem-2673	283	2	5	5	NUM
eurjchem-2673	283	3	]	]	PUNCT
eurjchem-2673	283	4	.	.	PUNCT
eurjchem-2673	283	5	de	de	PROPN
eurjchem-2673	283	6	c.t	c.t	PROPN
eurjchem-2673	283	7	.	.	PROPN
eurjchem-2673	283	8	carrondo	carrondo	PROPN
eurjchem-2673	283	9	,	,	PUNCT
eurjchem-2673	283	10	m.	m.	NOUN
eurjchem-2673	283	11	;	;	PUNCT
eurjchem-2673	283	12	dias	dias	PROPN
eurjchem-2673	283	13	,	,	PUNCT
eurjchem-2673	283	14	a.	a.	NOUN
eurjchem-2673	283	15	;	;	PUNCT
eurjchem-2673	283	16	garcia	garcia	PROPN
eurjchem-2673	283	17	,	,	PUNCT
eurjchem-2673	283	18	m.	m.	PROPN
eurjchem-2673	283	19	h.	h.	PROPN
eurjchem-2673	283	20	;	;	PUNCT
eurjchem-2673	283	21	mirpuri	mirpuri	PROPN
eurjchem-2673	283	22	,	,	PUNCT
eurjchem-2673	283	23	a.	a.	NOUN
eurjchem-2673	283	24	;	;	PUNCT
eurjchem-2673	283	25	fátima	fátima	NOUN
eurjchem-2673	283	26	,	,	PUNCT
eurjchem-2673	283	27	m.	m.	NOUN
eurjchem-2673	283	28	;	;	PUNCT
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eurjchem-2673	283	30	,	,	PUNCT
eurjchem-2673	283	31	m.	m.	NOUN
eurjchem-2673	283	32	;	;	PUNCT
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eurjchem-2673	283	34	,	,	PUNCT
eurjchem-2673	283	35	m.	m.	PROPN
eurjchem-2673	283	36	s.	s.	PROPN
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eurjchem-2673	283	41	and	and	CCONJ
eurjchem-2673	283	42	-tungsten	-tungsten	ADJ
eurjchem-2673	283	43	:	:	PUNCT
eurjchem-2673	283	44	preparation	preparation	NOUN
eurjchem-2673	283	45	and	and	CCONJ
eurjchem-2673	283	46	electrochemistry	electrochemistry	NOUN
eurjchem-2673	283	47	.	.	PUNCT
eurjchem-2673	284	1	the	the	DET
eurjchem-2673	284	2	structure	structure	NOUN
eurjchem-2673	284	3	of	of	ADP
eurjchem-2673	284	4	[	[	PUNCT
eurjchem-2673	284	5	mo(η5	mo(η5	NOUN
eurjchem-2673	284	6	-	-	ADJ
eurjchem-2673	284	7	c5h5)2(2	c5h5)2(2	NOUN
eurjchem-2673	284	8	-	-	PUNCT
eurjchem-2673	284	9	snc5h4)][pf6	snc5h4)][pf6	PROPN
eurjchem-2673	284	10	]	]	PUNCT
eurjchem-2673	284	11	.	.	PUNCT
eurjchem-2673	285	1	polyhedron	polyhedron	NOUN
eurjchem-2673	285	2	1989	1989	NUM
eurjchem-2673	285	3	,	,	PUNCT
eurjchem-2673	285	4	8	8	NUM
eurjchem-2673	285	5	(	(	PUNCT
eurjchem-2673	285	6	20	20	NUM
eurjchem-2673	285	7	)	)	PUNCT
eurjchem-2673	285	8	,	,	PUNCT
eurjchem-2673	285	9	2439–2447	2439–2447	NUM
eurjchem-2673	285	10	.	.	PUNCT
eurjchem-2673	286	1	[	[	X
eurjchem-2673	286	2	6	6	NUM
eurjchem-2673	286	3	]	]	PUNCT
eurjchem-2673	286	4	.	.	PUNCT
eurjchem-2673	287	1	yoon	yoon	PROPN
eurjchem-2673	287	2	,	,	PUNCT
eurjchem-2673	287	3	s.	s.	PROPN
eurjchem-2673	287	4	a.	a.	PROPN
eurjchem-2673	287	5	;	;	PUNCT
eurjchem-2673	287	6	kim	kim	PROPN
eurjchem-2673	287	7	,	,	PUNCT
eurjchem-2673	287	8	w.	w.	PROPN
eurjchem-2673	287	9	;	;	PUNCT
eurjchem-2673	287	10	sharma	sharma	PROPN
eurjchem-2673	287	11	,	,	PUNCT
eurjchem-2673	287	12	a.	a.	NOUN
eurjchem-2673	287	13	;	;	PUNCT
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eurjchem-2673	287	15	,	,	PUNCT
eurjchem-2673	287	16	p.	p.	NOUN
eurjchem-2673	287	17	;	;	PUNCT
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eurjchem-2673	287	21	;	;	PUNCT
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eurjchem-2673	288	4	-	-	PUNCT
eurjchem-2673	288	5	mercaptopyridine	mercaptopyridine	NOUN
eurjchem-2673	288	6	for	for	ADP
eurjchem-2673	288	7	the	the	DET
eurjchem-2673	288	8	selective	selective	ADJ
eurjchem-2673	288	9	detection	detection	NOUN
eurjchem-2673	288	10	of	of	ADP
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eurjchem-2673	288	12	over	over	ADP
eurjchem-2673	288	13	homocysteine	homocysteine	NOUN
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eurjchem-2673	288	15	cysteine	cysteine	NOUN
eurjchem-2673	288	16	.	.	PUNCT
eurjchem-2673	289	1	sensors	sensor	NOUN
eurjchem-2673	289	2	2018	2018	NUM
eurjchem-2673	289	3	,	,	PUNCT
eurjchem-2673	289	4	18	18	NUM
eurjchem-2673	289	5	(	(	PUNCT
eurjchem-2673	289	6	9	9	NUM
eurjchem-2673	289	7	)	)	PUNCT
eurjchem-2673	289	8	,	,	PUNCT
eurjchem-2673	289	9	2897	2897	NUM
eurjchem-2673	289	10	.	.	PUNCT
eurjchem-2673	290	1	[	[	X
eurjchem-2673	290	2	7	7	NUM
eurjchem-2673	290	3	]	]	PUNCT
eurjchem-2673	290	4	.	.	PUNCT
eurjchem-2673	290	5	maruyama	maruyama	PROPN
eurjchem-2673	290	6	,	,	PUNCT
eurjchem-2673	290	7	k.	k.	PROPN
eurjchem-2673	290	8	;	;	PUNCT
eurjchem-2673	290	9	nagasawa	nagasawa	PROPN
eurjchem-2673	290	10	,	,	PUNCT
eurjchem-2673	290	11	h.	h.	PROPN
eurjchem-2673	290	12	;	;	PUNCT
eurjchem-2673	290	13	suzuki	suzuki	PROPN
eurjchem-2673	290	14	,	,	PUNCT
eurjchem-2673	290	15	a.	a.	NOUN
eurjchem-2673	290	16	2,2′-bispyridyl	2,2′-bispyridyl	NUM
eurjchem-2673	290	17	disulfide	disulfide	NOUN
eurjchem-2673	290	18	rapidly	rapidly	ADV
eurjchem-2673	290	19	induces	induce	VERB
eurjchem-2673	290	20	intramolecular	intramolecular	ADJ
eurjchem-2673	290	21	disulfide	disulfide	NOUN
eurjchem-2673	290	22	bonds	bond	NOUN
eurjchem-2673	290	23	in	in	ADP
eurjchem-2673	290	24	peptides	peptide	NOUN
eurjchem-2673	290	25	.	.	PUNCT
eurjchem-2673	291	1	peptides	peptide	NOUN
eurjchem-2673	291	2	1999	1999	NUM
eurjchem-2673	291	3	,	,	PUNCT
eurjchem-2673	291	4	20	20	NUM
eurjchem-2673	291	5	(	(	PUNCT
eurjchem-2673	291	6	7	7	NUM
eurjchem-2673	291	7	)	)	PUNCT
eurjchem-2673	291	8	,	,	PUNCT
eurjchem-2673	291	9	881–884	881–884	NUM
eurjchem-2673	291	10	.	.	PUNCT
eurjchem-2673	292	1	[	[	X
eurjchem-2673	292	2	8	8	NUM
eurjchem-2673	292	3	]	]	PUNCT
eurjchem-2673	292	4	.	.	PUNCT
eurjchem-2673	293	1	suguna	suguna	PROPN
eurjchem-2673	293	2	,	,	PUNCT
eurjchem-2673	293	3	s.	s.	PROPN
eurjchem-2673	293	4	;	;	PUNCT
eurjchem-2673	293	5	subbareddy	subbareddy	NUM
eurjchem-2673	293	6	,	,	PUNCT
eurjchem-2673	293	7	y.	y.	PROPN
eurjchem-2673	293	8	;	;	PUNCT
eurjchem-2673	293	9	jose	jose	PROPN
eurjchem-2673	293	10	,	,	PUNCT
eurjchem-2673	293	11	t.	t.	PROPN
eurjchem-2673	293	12	j.	j.	PROPN
eurjchem-2673	293	13	;	;	PUNCT
eurjchem-2673	293	14	chand	chand	PROPN
eurjchem-2673	293	15	,	,	PUNCT
eurjchem-2673	293	16	n.	n.	PROPN
eurjchem-2673	293	17	r.	r.	PROPN
eurjchem-2673	293	18	;	;	PUNCT
eurjchem-2673	293	19	ramakrishna	ramakrishna	PROPN
eurjchem-2673	293	20	,	,	PUNCT
eurjchem-2673	293	21	d.	d.	PROPN
eurjchem-2673	293	22	;	;	PUNCT
eurjchem-2673	293	23	praveen	praveen	PROPN
eurjchem-2673	293	24	,	,	PUNCT
eurjchem-2673	293	25	p.	p.	PROPN
eurjchem-2673	293	26	l.	l.	PROPN
eurjchem-2673	293	27	synthesis	synthesis	PROPN
eurjchem-2673	293	28	,	,	PUNCT
eurjchem-2673	293	29	growth	growth	NOUN
eurjchem-2673	293	30	,	,	PUNCT
eurjchem-2673	293	31	and	and	CCONJ
eurjchem-2673	293	32	optical	optical	ADJ
eurjchem-2673	293	33	applications	application	NOUN
eurjchem-2673	293	34	of	of	ADP
eurjchem-2673	293	35	n	n	CCONJ
eurjchem-2673	293	36	,	,	PUNCT
eurjchem-2673	293	37	n′-bis	n′-bis	X
eurjchem-2673	293	38	(	(	PUNCT
eurjchem-2673	293	39	2	2	NUM
eurjchem-2673	293	40	-	-	PUNCT
eurjchem-2673	293	41	aminophenyl	aminophenyl	NOUN
eurjchem-2673	293	42	)	)	PUNCT
eurjchem-2673	293	43	ethane-1,2	ethane-1,2	ADJ
eurjchem-2673	293	44	-	-	PUNCT
eurjchem-2673	293	45	diammonium	diammonium	NOUN
eurjchem-2673	293	46	picrate	picrate	NOUN
eurjchem-2673	293	47	:	:	PUNCT
eurjchem-2673	293	48	an	an	DET
eurjchem-2673	293	49	organic	organic	ADJ
eurjchem-2673	293	50	crystal	crystal	NOUN
eurjchem-2673	293	51	.	.	PUNCT
eurjchem-2673	294	1	j.	j.	PROPN
eurjchem-2673	294	2	mol	mol	PROPN
eurjchem-2673	294	3	.	.	PROPN
eurjchem-2673	294	4	struct	struct	NOUN
eurjchem-2673	294	5	.	.	PUNCT
eurjchem-2673	295	1	2024	2024	NUM
eurjchem-2673	295	2	,	,	PUNCT
eurjchem-2673	295	3	1300	1300	NUM
eurjchem-2673	295	4	,	,	PUNCT
eurjchem-2673	295	5	137295	137295	NUM
eurjchem-2673	295	6	.	.	PUNCT
eurjchem-2673	296	1	[	[	X
eurjchem-2673	296	2	9	9	NUM
eurjchem-2673	296	3	]	]	PUNCT
eurjchem-2673	296	4	.	.	PUNCT
eurjchem-2673	297	1	kolandaivelu	kolandaivelu	PROPN
eurjchem-2673	297	2	,	,	PUNCT
eurjchem-2673	297	3	s.	s.	PROPN
eurjchem-2673	297	4	;	;	PUNCT
eurjchem-2673	297	5	rajamoni	rajamoni	VERB
eurjchem-2673	297	6	,	,	PUNCT
eurjchem-2673	297	7	j.	j.	PROPN
eurjchem-2673	297	8	;	;	PUNCT
eurjchem-2673	297	9	kandasamy	kandasamy	PROPN
eurjchem-2673	297	10	,	,	PUNCT
eurjchem-2673	297	11	s.	s.	PROPN
eurjchem-2673	297	12	n	n	CCONJ
eurjchem-2673	297	13	-	-	PUNCT
eurjchem-2673	297	14	h	h	NOUN
eurjchem-2673	297	15	…	…	PROPN
eurjchem-2673	297	16	o	o	NOUN
eurjchem-2673	297	17	,	,	PUNCT
eurjchem-2673	297	18	c	c	NOUN
eurjchem-2673	297	19	-	-	PUNCT
eurjchem-2673	297	20	h	h	NOUN
eurjchem-2673	297	21	…	…	PUNCT
eurjchem-2673	297	22	o	o	NOUN
eurjchem-2673	297	23	hydrogen	hydrogen	NOUN
eurjchem-2673	297	24	-	-	PUNCT
eurjchem-2673	297	25	bonded	bond	VERB
eurjchem-2673	297	26	supramolecular	supramolecular	ADJ
eurjchem-2673	297	27	frameworks	framework	NOUN
eurjchem-2673	297	28	in	in	ADP
eurjchem-2673	297	29	4	4	NUM
eurjchem-2673	297	30	-	-	PUNCT
eurjchem-2673	297	31	fluoroanilinium	fluoroanilinium	NOUN
eurjchem-2673	297	32	and	and	CCONJ
eurjchem-2673	297	33	dicyclohexylaminium	dicyclohexylaminium	ADJ
eurjchem-2673	297	34	picrate	picrate	ADJ
eurjchem-2673	297	35	salts	salt	NOUN
eurjchem-2673	297	36	.	.	PUNCT
eurjchem-2673	298	1	struct	struct	VERB
eurjchem-2673	298	2	chem	chem	NOUN
eurjchem-2673	298	3	2019	2019	NUM
eurjchem-2673	298	4	,	,	PUNCT
eurjchem-2673	298	5	31	31	NUM
eurjchem-2673	298	6	(	(	PUNCT
eurjchem-2673	298	7	3	3	NUM
eurjchem-2673	298	8	)	)	PUNCT
eurjchem-2673	298	9	,	,	PUNCT
eurjchem-2673	298	10	899–908	899–908	NUM
eurjchem-2673	298	11	.	.	PUNCT
eurjchem-2673	299	1	[	[	X
eurjchem-2673	299	2	10	10	NUM
eurjchem-2673	299	3	]	]	PUNCT
eurjchem-2673	299	4	.	.	PUNCT
eurjchem-2673	300	1	ramarajan	ramarajan	NOUN
eurjchem-2673	300	2	,	,	PUNCT
eurjchem-2673	300	3	d.	d.	PROPN
eurjchem-2673	300	4	;	;	PUNCT
eurjchem-2673	300	5	tamilarasan	tamilarasan	PROPN
eurjchem-2673	300	6	,	,	PUNCT
eurjchem-2673	300	7	k.	k.	PROPN
eurjchem-2673	300	8	;	;	PUNCT
eurjchem-2673	300	9	milenković	milenković	PROPN
eurjchem-2673	300	10	,	,	PUNCT
eurjchem-2673	300	11	d.	d.	PROPN
eurjchem-2673	300	12	;	;	PUNCT
eurjchem-2673	300	13	marković	marković	PROPN
eurjchem-2673	300	14	,	,	PUNCT
eurjchem-2673	300	15	z.	z.	PROPN
eurjchem-2673	300	16	;	;	PUNCT
eurjchem-2673	300	17	sudha	sudha	PROPN
eurjchem-2673	300	18	,	,	PUNCT
eurjchem-2673	300	19	s.	s.	PROPN
eurjchem-2673	300	20	;	;	PUNCT
eurjchem-2673	300	21	subhapriya	subhapriya	VERB
eurjchem-2673	300	22	,	,	PUNCT
eurjchem-2673	300	23	p.	p.	NOUN
eurjchem-2673	300	24	experimental	experimental	ADJ
eurjchem-2673	300	25	and	and	CCONJ
eurjchem-2673	300	26	theoretical	theoretical	ADJ
eurjchem-2673	300	27	investigations	investigation	NOUN
eurjchem-2673	300	28	of	of	ADP
eurjchem-2673	300	29	an	an	DET
eurjchem-2673	300	30	organic	organic	ADJ
eurjchem-2673	300	31	nonlinear	nonlinear	ADJ
eurjchem-2673	300	32	optical	optical	ADJ
eurjchem-2673	300	33	material	material	NOUN
eurjchem-2673	300	34	p	p	NOUN
eurjchem-2673	300	35	-	-	PUNCT
eurjchem-2673	300	36	toluidinium	toluidinium	NOUN
eurjchem-2673	300	37	picrate	picrate	ADJ
eurjchem-2673	300	38	–	–	PUNCT
eurjchem-2673	300	39	a	a	DET
eurjchem-2673	300	40	comparative	comparative	ADJ
eurjchem-2673	300	41	study	study	NOUN
eurjchem-2673	300	42	.	.	PUNCT
eurjchem-2673	301	1	j.	j.	PROPN
eurjchem-2673	301	2	mol	mol	PROPN
eurjchem-2673	301	3	.	.	PROPN
eurjchem-2673	301	4	struct	struct	NOUN
eurjchem-2673	301	5	.	.	PUNCT
eurjchem-2673	302	1	2019	2019	NUM
eurjchem-2673	302	2	,	,	PUNCT
eurjchem-2673	302	3	1195	1195	NUM
eurjchem-2673	302	4	,	,	PUNCT
eurjchem-2673	302	5	73–84	73–84	NOUN
eurjchem-2673	302	6	.	.	PUNCT
eurjchem-2673	303	1	[	[	X
eurjchem-2673	303	2	11	11	NUM
eurjchem-2673	303	3	]	]	PUNCT
eurjchem-2673	303	4	.	.	PUNCT
eurjchem-2673	304	1	arslan	arslan	PROPN
eurjchem-2673	304	2	,	,	PUNCT
eurjchem-2673	304	3	n.	n.	PROPN
eurjchem-2673	304	4	b.	b.	PROPN
eurjchem-2673	304	5	;	;	PUNCT
eurjchem-2673	304	6	aydin	aydin	PROPN
eurjchem-2673	304	7	,	,	PUNCT
eurjchem-2673	304	8	f.	f.	PROPN
eurjchem-2673	305	1	the	the	DET
eurjchem-2673	305	2	crystal	crystal	PROPN
eurjchem-2673	305	3	magnification	magnification	NOUN
eurjchem-2673	305	4	,	,	PUNCT
eurjchem-2673	305	5	characterization	characterization	NOUN
eurjchem-2673	305	6	,	,	PUNCT
eurjchem-2673	305	7	xray	xray	ADJ
eurjchem-2673	305	8	single	single	ADJ
eurjchem-2673	305	9	crystal	crystal	NOUN
eurjchem-2673	305	10	structure	structure	NOUN
eurjchem-2673	305	11	,	,	PUNCT
eurjchem-2673	305	12	thermal	thermal	ADJ
eurjchem-2673	305	13	behavior	behavior	NOUN
eurjchem-2673	305	14	,	,	PUNCT
eurjchem-2673	305	15	and	and	CCONJ
eurjchem-2673	305	16	computational	computational	ADJ
eurjchem-2673	305	17	studies	study	NOUN
eurjchem-2673	305	18	of	of	ADP
eurjchem-2673	305	19	the	the	DET
eurjchem-2673	305	20	2,4,6	2,4,6	NUM
eurjchem-2673	305	21	-	-	PUNCT
eurjchem-2673	305	22	trimethylpyridinium	trimethylpyridinium	NOUN
eurjchem-2673	305	23	picrate	picrate	NOUN
eurjchem-2673	305	24	.	.	PUNCT
eurjchem-2673	306	1	eur	eur	PROPN
eurjchem-2673	306	2	.	.	PUNCT
eurjchem-2673	307	1	j.	j.	PROPN
eurjchem-2673	307	2	chem	chem	PROPN
eurjchem-2673	307	3	.	.	PUNCT
eurjchem-2673	308	1	2022	2022	NUM
eurjchem-2673	308	2	,	,	PUNCT
eurjchem-2673	308	3	13	13	NUM
eurjchem-2673	308	4	(	(	PUNCT
eurjchem-2673	308	5	4	4	NUM
eurjchem-2673	308	6	)	)	PUNCT
eurjchem-2673	308	7	,	,	PUNCT
eurjchem-2673	308	8	468–477	468–477	NUM
eurjchem-2673	308	9	.	.	PUNCT
eurjchem-2673	309	1	[	[	X
eurjchem-2673	309	2	12	12	NUM
eurjchem-2673	309	3	]	]	PUNCT
eurjchem-2673	309	4	.	.	PUNCT
eurjchem-2673	310	1	aydin	aydin	PROPN
eurjchem-2673	310	2	,	,	PUNCT
eurjchem-2673	310	3	f.	f.	PROPN
eurjchem-2673	310	4	;	;	PUNCT
eurjchem-2673	310	5	arslan	arslan	PROPN
eurjchem-2673	310	6	,	,	PUNCT
eurjchem-2673	310	7	n.	n.	PROPN
eurjchem-2673	310	8	b.	b.	PROPN
eurjchem-2673	310	9	synthesis	synthesis	NOUN
eurjchem-2673	310	10	and	and	CCONJ
eurjchem-2673	310	11	structural	structural	ADJ
eurjchem-2673	310	12	characterization	characterization	NOUN
eurjchem-2673	310	13	and	and	CCONJ
eurjchem-2673	310	14	dft	dft	NOUN
eurjchem-2673	310	15	calculations	calculation	NOUN
eurjchem-2673	310	16	of	of	ADP
eurjchem-2673	310	17	the	the	DET
eurjchem-2673	310	18	organic	organic	ADJ
eurjchem-2673	310	19	salt	salt	NOUN
eurjchem-2673	310	20	crystal	crystal	NOUN
eurjchem-2673	310	21	obtaining	obtain	VERB
eurjchem-2673	310	22	9	9	NUM
eurjchem-2673	310	23	-	-	PUNCT
eurjchem-2673	310	24	aminoacridine	aminoacridine	NOUN
eurjchem-2673	310	25	and	and	CCONJ
eurjchem-2673	310	26	picric	picric	ADJ
eurjchem-2673	310	27	acid	acid	NOUN
eurjchem-2673	310	28	:	:	PUNCT
eurjchem-2673	310	29	9	9	NUM
eurjchem-2673	310	30	-	-	PUNCT
eurjchem-2673	310	31	aminoacridinium	aminoacridinium	NOUN
eurjchem-2673	310	32	picrate	picrate	NOUN
eurjchem-2673	310	33	.	.	PUNCT
eurjchem-2673	311	1	eur	eur	PROPN
eurjchem-2673	311	2	.	.	PUNCT
eurjchem-2673	312	1	j.	j.	PROPN
eurjchem-2673	312	2	chem	chem	PROPN
eurjchem-2673	312	3	.	.	PUNCT
eurjchem-2673	313	1	2023	2023	NUM
eurjchem-2673	313	2	,	,	PUNCT
eurjchem-2673	313	3	14	14	NUM
eurjchem-2673	313	4	(	(	PUNCT
eurjchem-2673	313	5	3	3	NUM
eurjchem-2673	313	6	)	)	PUNCT
eurjchem-2673	313	7	,	,	PUNCT
eurjchem-2673	313	8	376–384	376–384	NUM
eurjchem-2673	313	9	.	.	PUNCT
eurjchem-2673	314	1	[	[	X
eurjchem-2673	314	2	13	13	NUM
eurjchem-2673	314	3	]	]	PUNCT
eurjchem-2673	314	4	.	.	PUNCT
eurjchem-2673	314	5	karthigha	karthigha	PROPN
eurjchem-2673	314	6	,	,	PUNCT
eurjchem-2673	314	7	s.	s.	PROPN
eurjchem-2673	314	8	;	;	PUNCT
eurjchem-2673	314	9	krishnamoorthi	krishnamoorthi	PROPN
eurjchem-2673	314	10	,	,	PUNCT
eurjchem-2673	314	11	c.	c.	NOUN
eurjchem-2673	314	12	synthesis	synthesis	NOUN
eurjchem-2673	314	13	,	,	PUNCT
eurjchem-2673	314	14	growth	growth	NOUN
eurjchem-2673	314	15	,	,	PUNCT
eurjchem-2673	314	16	crystal	crystal	NOUN
eurjchem-2673	314	17	structure	structure	NOUN
eurjchem-2673	314	18	,	,	PUNCT
eurjchem-2673	314	19	optical	optical	ADJ
eurjchem-2673	314	20	and	and	CCONJ
eurjchem-2673	314	21	third	third	ADJ
eurjchem-2673	314	22	order	order	NOUN
eurjchem-2673	314	23	nonlinear	nonlinear	ADJ
eurjchem-2673	314	24	optical	optical	ADJ
eurjchem-2673	314	25	properties	property	NOUN
eurjchem-2673	314	26	of	of	ADP
eurjchem-2673	314	27	quinolinium	quinolinium	NOUN
eurjchem-2673	314	28	derivative	derivative	ADJ
eurjchem-2673	314	29	single	single	ADJ
eurjchem-2673	314	30	crystal	crystal	NOUN
eurjchem-2673	314	31	:	:	PUNCT
eurjchem-2673	314	32	pnqi	pnqi	ADJ
eurjchem-2673	314	33	.	.	PUNCT
eurjchem-2673	315	1	j.	j.	PROPN
eurjchem-2673	315	2	phys	phys	PROPN
eurjchem-2673	315	3	.	.	PUNCT
eurjchem-2673	316	1	chem	chem	PROPN
eurjchem-2673	316	2	.	.	PUNCT
eurjchem-2673	317	1	solids	solid	NOUN
eurjchem-2673	317	2	2018	2018	NUM
eurjchem-2673	317	3	,	,	PUNCT
eurjchem-2673	317	4	114	114	NUM
eurjchem-2673	317	5	,	,	PUNCT
eurjchem-2673	317	6	133	133	NUM
eurjchem-2673	317	7	–	–	SYM
eurjchem-2673	317	8	140	140	NUM
eurjchem-2673	317	9	.	.	PUNCT
eurjchem-2673	318	1	[	[	X
eurjchem-2673	318	2	14	14	NUM
eurjchem-2673	318	3	]	]	PUNCT
eurjchem-2673	318	4	.	.	PUNCT
eurjchem-2673	319	1	chandramohan	chandramohan	PROPN
eurjchem-2673	319	2	,	,	PUNCT
eurjchem-2673	319	3	a.	a.	NOUN
eurjchem-2673	319	4	;	;	PUNCT
eurjchem-2673	319	5	bharathikannan	bharathikannan	PROPN
eurjchem-2673	319	6	,	,	PUNCT
eurjchem-2673	319	7	r.	r.	PROPN
eurjchem-2673	319	8	;	;	PUNCT
eurjchem-2673	319	9	kandavelu	kandavelu	PROPN
eurjchem-2673	319	10	,	,	PUNCT
eurjchem-2673	319	11	v.	v.	ADV
eurjchem-2673	319	12	;	;	PUNCT
eurjchem-2673	319	13	chandrasekaran	chandrasekaran	VERB
eurjchem-2673	319	14	,	,	PUNCT
eurjchem-2673	319	15	j.	j.	PROPN
eurjchem-2673	319	16	;	;	PUNCT
eurjchem-2673	319	17	kandhaswamy	kandhaswamy	NOUN
eurjchem-2673	319	18	,	,	PUNCT
eurjchem-2673	319	19	m.	m.	NOUN
eurjchem-2673	319	20	synthesis	synthesis	NOUN
eurjchem-2673	319	21	,	,	PUNCT
eurjchem-2673	319	22	crystal	crystal	NOUN
eurjchem-2673	319	23	growth	growth	NOUN
eurjchem-2673	319	24	,	,	PUNCT
eurjchem-2673	319	25	structural	structural	ADJ
eurjchem-2673	319	26	,	,	PUNCT
eurjchem-2673	319	27	thermal	thermal	ADJ
eurjchem-2673	319	28	and	and	CCONJ
eurjchem-2673	319	29	optical	optical	ADJ
eurjchem-2673	319	30	properties	property	NOUN
eurjchem-2673	319	31	of	of	ADP
eurjchem-2673	319	32	naphthalene	naphthalene	NOUN
eurjchem-2673	319	33	picrate	picrate	VERB
eurjchem-2673	319	34	an	an	DET
eurjchem-2673	319	35	organic	organic	ADJ
eurjchem-2673	319	36	nlo	nlo	NOUN
eurjchem-2673	319	37	material	material	NOUN
eurjchem-2673	319	38	.	.	PUNCT
eurjchem-2673	320	1	spectrochim	spectrochim	PROPN
eurjchem-2673	320	2	.	.	PUNCT
eurjchem-2673	321	1	acta	acta	PROPN
eurjchem-2673	321	2	a	a	DET
eurjchem-2673	321	3	:	:	SYM
eurjchem-2673	321	4	mol	mol	PROPN
eurjchem-2673	321	5	.	.	PROPN
eurjchem-2673	321	6	biomol	biomol	PROPN
eurjchem-2673	321	7	.	.	PUNCT
eurjchem-2673	322	1	spectrosc	spectrosc	PROPN
eurjchem-2673	322	2	.	.	PUNCT
eurjchem-2673	323	1	2008	2008	NUM
eurjchem-2673	323	2	,	,	PUNCT
eurjchem-2673	323	3	71	71	NUM
eurjchem-2673	323	4	(	(	PUNCT
eurjchem-2673	323	5	3	3	NUM
eurjchem-2673	323	6	)	)	PUNCT
eurjchem-2673	323	7	,	,	PUNCT
eurjchem-2673	323	8	755–759	755–759	NUM
eurjchem-2673	323	9	.	.	PUNCT
eurjchem-2673	324	1	[	[	X
eurjchem-2673	324	2	15	15	NUM
eurjchem-2673	324	3	]	]	PUNCT
eurjchem-2673	324	4	.	.	PUNCT
eurjchem-2673	324	5	bozkuş	bozkuş	PROPN
eurjchem-2673	324	6	,	,	PUNCT
eurjchem-2673	324	7	s.	s.	PROPN
eurjchem-2673	324	8	i.	i.	PROPN
eurjchem-2673	324	9	;	;	PUNCT
eurjchem-2673	324	10	hope	hope	PROPN
eurjchem-2673	324	11	,	,	PUNCT
eurjchem-2673	324	12	k.	k.	PROPN
eurjchem-2673	324	13	s.	s.	PROPN
eurjchem-2673	324	14	;	;	PUNCT
eurjchem-2673	324	15	yüksel	yüksel	PROPN
eurjchem-2673	324	16	,	,	PUNCT
eurjchem-2673	324	17	b.	b.	PROPN
eurjchem-2673	324	18	;	;	PUNCT
eurjchem-2673	324	19	atҫeken	atҫeken	VERB
eurjchem-2673	324	20	,	,	PUNCT
eurjchem-2673	324	21	n.	n.	NOUN
eurjchem-2673	324	22	;	;	PUNCT
eurjchem-2673	324	23	nazır	nazır	PROPN
eurjchem-2673	324	24	,	,	PUNCT
eurjchem-2673	324	25	h.	h.	PROPN
eurjchem-2673	324	26	;	;	PUNCT
eurjchem-2673	324	27	atakol	atakol	PROPN
eurjchem-2673	324	28	,	,	PUNCT
eurjchem-2673	324	29	o.	o.	PROPN
eurjchem-2673	324	30	;	;	PUNCT
eurjchem-2673	324	31	şen	şen	NUM
eurjchem-2673	324	32	,	,	PUNCT
eurjchem-2673	324	33	n.	n.	NOUN
eurjchem-2673	324	34	characterization	characterization	NOUN
eurjchem-2673	324	35	and	and	CCONJ
eurjchem-2673	324	36	properties	property	NOUN
eurjchem-2673	324	37	of	of	ADP
eurjchem-2673	324	38	a	a	DET
eurjchem-2673	324	39	novel	novel	ADJ
eurjchem-2673	324	40	energetic	energetic	ADJ
eurjchem-2673	324	41	co	co	NOUN
eurjchem-2673	324	42	-	-	NOUN
eurjchem-2673	324	43	crystal	crystal	NOUN
eurjchem-2673	324	44	formed	form	VERB
eurjchem-2673	324	45	between	between	ADP
eurjchem-2673	324	46	2,4,6	2,4,6	NUM
eurjchem-2673	324	47	-	-	PUNCT
eurjchem-2673	324	48	trinitrophenol	trinitrophenol	NOUN
eurjchem-2673	324	49	and	and	CCONJ
eurjchem-2673	324	50	9	9	NUM
eurjchem-2673	324	51	-	-	PUNCT
eurjchem-2673	324	52	bromoanthracene	bromoanthracene	NOUN
eurjchem-2673	324	53	.	.	PUNCT
eurjchem-2673	325	1	j.	j.	PROPN
eurjchem-2673	325	2	mol	mol	PROPN
eurjchem-2673	325	3	.	.	PROPN
eurjchem-2673	325	4	struct	struct	NOUN
eurjchem-2673	325	5	.	.	PUNCT
eurjchem-2673	326	1	2019	2019	NUM
eurjchem-2673	326	2	,	,	PUNCT
eurjchem-2673	326	3	1192	1192	NUM
eurjchem-2673	326	4	,	,	PUNCT
eurjchem-2673	326	5	145–153	145–153	NUM
eurjchem-2673	326	6	.	.	PUNCT
eurjchem-2673	327	1	[	[	X
eurjchem-2673	327	2	16	16	NUM
eurjchem-2673	327	3	]	]	PUNCT
eurjchem-2673	327	4	.	.	PUNCT
eurjchem-2673	328	1	ghazaryan	ghazaryan	PROPN
eurjchem-2673	328	2	,	,	PUNCT
eurjchem-2673	328	3	v.	v.	PROPN
eurjchem-2673	328	4	;	;	PUNCT
eurjchem-2673	328	5	fleck	fleck	NOUN
eurjchem-2673	328	6	,	,	PUNCT
eurjchem-2673	328	7	m.	m.	NOUN
eurjchem-2673	328	8	;	;	PUNCT
eurjchem-2673	328	9	petrosyan	petrosyan	ADJ
eurjchem-2673	328	10	,	,	PUNCT
eurjchem-2673	328	11	a.	a.	NOUN
eurjchem-2673	328	12	structure	structure	NOUN
eurjchem-2673	328	13	and	and	CCONJ
eurjchem-2673	328	14	vibrational	vibrational	ADJ
eurjchem-2673	328	15	spectra	spectra	NOUN
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eurjchem-2673	328	17	l	l	PROPN
eurjchem-2673	328	18	-	-	NOUN
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eurjchem-2673	328	21	-	-	ADJ
eurjchem-2673	328	22	alaninium	alaninium	ADJ
eurjchem-2673	328	23	picrate	picrate	ADJ
eurjchem-2673	328	24	monohydrate	monohydrate	NOUN
eurjchem-2673	328	25	.	.	PUNCT
eurjchem-2673	329	1	j.	j.	PROPN
eurjchem-2673	329	2	mol	mol	PROPN
eurjchem-2673	329	3	.	.	PROPN
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eurjchem-2673	329	5	.	.	PUNCT
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eurjchem-2673	330	2	,	,	PUNCT
eurjchem-2673	330	3	1015	1015	NUM
eurjchem-2673	330	4	,	,	PUNCT
eurjchem-2673	330	5	51–55	51–55	NUM
eurjchem-2673	330	6	.	.	PUNCT
eurjchem-2673	331	1	http://www.ccdc.cam.ac.uk/data_request/cif	http://www.ccdc.cam.ac.uk/data_request/cif	PRON
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eurjchem-2673	331	8	128	128	NUM
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eurjchem-2673	331	10	and	and	CCONJ
eurjchem-2673	331	11	kiraz	kiraz	PROPN
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eurjchem-2673	331	13	european	european	PROPN
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eurjchem-2673	331	17	16	16	NUM
eurjchem-2673	331	18	(	(	PUNCT
eurjchem-2673	331	19	2	2	NUM
eurjchem-2673	331	20	)	)	PUNCT
eurjchem-2673	331	21	(	(	PUNCT
eurjchem-2673	331	22	2025	2025	NUM
eurjchem-2673	331	23	)	)	PUNCT
eurjchem-2673	331	24	117	117	NUM
eurjchem-2673	331	25	-	-	SYM
eurjchem-2673	331	26	128	128	NUM
eurjchem-2673	331	27	2025	2025	NUM
eurjchem-2673	331	28	–	–	PUNCT
eurjchem-2673	331	29	european	european	ADJ
eurjchem-2673	331	30	journal	journal	NOUN
eurjchem-2673	331	31	of	of	ADP
eurjchem-2673	331	32	chemistry	chemistry	NOUN
eurjchem-2673	331	33	–	–	PUNCT
eurjchem-2673	331	34	cc	cc	NOUN
eurjchem-2673	331	35	by	by	ADP
eurjchem-2673	331	36	nc	nc	PROPN
eurjchem-2673	331	37	–	–	PUNCT
eurjchem-2673	331	38	doi	doi	NOUN
eurjchem-2673	331	39	:	:	PUNCT
eurjchem-2673	331	40	10.5155	10.5155	NUM
eurjchem-2673	331	41	/	/	SYM
eurjchem-2673	331	42	eurjchem.16.2.117	eurjchem.16.2.117	PROPN
eurjchem-2673	331	43	-	-	NUM
eurjchem-2673	331	44	128.2673	128.2673	NUM
eurjchem-2673	331	45	[	[	X
eurjchem-2673	331	46	17	17	NUM
eurjchem-2673	331	47	]	]	SYM
eurjchem-2673	331	48	.	.	PUNCT
eurjchem-2673	332	1	fleck	fleck	PROPN
eurjchem-2673	332	2	,	,	PUNCT
eurjchem-2673	332	3	m.	m.	NOUN
eurjchem-2673	332	4	;	;	PUNCT
eurjchem-2673	332	5	ghazaryan	ghazaryan	NOUN
eurjchem-2673	332	6	,	,	PUNCT
eurjchem-2673	332	7	v.	v.	PROPN
eurjchem-2673	332	8	;	;	PUNCT
eurjchem-2673	332	9	petrosyan	petrosyan	ADJ
eurjchem-2673	332	10	,	,	PUNCT
eurjchem-2673	332	11	a.	a.	NOUN
eurjchem-2673	332	12	β	β	NOUN
eurjchem-2673	332	13	-	-	ADJ
eurjchem-2673	332	14	alaninium	alaninium	ADJ
eurjchem-2673	332	15	picrate	picrate	NOUN
eurjchem-2673	332	16	:	:	PUNCT
eurjchem-2673	332	17	a	a	DET
eurjchem-2673	332	18	new	new	ADJ
eurjchem-2673	332	19	salt	salt	NOUN
eurjchem-2673	332	20	with	with	ADP
eurjchem-2673	332	21	di	di	NOUN
eurjchem-2673	332	22	-	-	PUNCT
eurjchem-2673	332	23	β	β	NOUN
eurjchem-2673	332	24	-	-	ADJ
eurjchem-2673	332	25	alaninium	alaninium	ADJ
eurjchem-2673	332	26	dimeric	dimeric	ADJ
eurjchem-2673	332	27	cation	cation	NOUN
eurjchem-2673	332	28	.	.	PUNCT
eurjchem-2673	333	1	j.	j.	PROPN
eurjchem-2673	333	2	mol	mol	PROPN
eurjchem-2673	333	3	.	.	PROPN
eurjchem-2673	333	4	struct	struct	NOUN
eurjchem-2673	333	5	.	.	PUNCT
eurjchem-2673	334	1	2012	2012	NUM
eurjchem-2673	334	2	,	,	PUNCT
eurjchem-2673	334	3	1019	1019	NUM
eurjchem-2673	334	4	,	,	PUNCT
eurjchem-2673	334	5	91–96	91–96	NUM
eurjchem-2673	334	6	.	.	PUNCT
eurjchem-2673	335	1	[	[	X
eurjchem-2673	335	2	18	18	NUM
eurjchem-2673	335	3	]	]	PUNCT
eurjchem-2673	335	4	.	.	PUNCT
eurjchem-2673	336	1	ghazaryan	ghazaryan	PROPN
eurjchem-2673	336	2	,	,	PUNCT
eurjchem-2673	336	3	v.	v.	ADV
eurjchem-2673	336	4	;	;	PUNCT
eurjchem-2673	336	5	zakharov	zakharov	PROPN
eurjchem-2673	336	6	,	,	PUNCT
eurjchem-2673	336	7	b.	b.	PROPN
eurjchem-2673	336	8	;	;	PUNCT
eurjchem-2673	336	9	boldyreva	boldyreva	PROPN
eurjchem-2673	336	10	,	,	PUNCT
eurjchem-2673	336	11	e.	e.	PROPN
eurjchem-2673	336	12	;	;	PUNCT
eurjchem-2673	336	13	petrosyan	petrosyan	ADJ
eurjchem-2673	336	14	,	,	PUNCT
eurjchem-2673	336	15	a.	a.	NOUN
eurjchem-2673	336	16	lmethioninium	lmethioninium	NOUN
eurjchem-2673	336	17	picrate	picrate	PROPN
eurjchem-2673	336	18	.	.	PUNCT
eurjchem-2673	337	1	spectrochim	spectrochim	PROPN
eurjchem-2673	337	2	.	.	PUNCT
eurjchem-2673	338	1	acta	acta	PROPN
eurjchem-2673	338	2	a	a	DET
eurjchem-2673	338	3	:	:	SYM
eurjchem-2673	338	4	mol	mol	PROPN
eurjchem-2673	338	5	.	.	PROPN
eurjchem-2673	338	6	biomol	biomol	PROPN
eurjchem-2673	338	7	.	.	PUNCT
eurjchem-2673	339	1	spectrosc	spectrosc	PROPN
eurjchem-2673	339	2	.	.	PUNCT
eurjchem-2673	340	1	2015	2015	NUM
eurjchem-2673	340	2	,	,	PUNCT
eurjchem-2673	340	3	142	142	NUM
eurjchem-2673	340	4	,	,	PUNCT
eurjchem-2673	340	5	344–349	344–349	NUM
eurjchem-2673	340	6	.	.	PUNCT
eurjchem-2673	341	1	[	[	X
eurjchem-2673	341	2	19	19	NUM
eurjchem-2673	341	3	]	]	PUNCT
eurjchem-2673	341	4	.	.	PUNCT
eurjchem-2673	342	1	suguna	suguna	PROPN
eurjchem-2673	342	2	,	,	PUNCT
eurjchem-2673	342	3	s.	s.	PROPN
eurjchem-2673	342	4	;	;	PUNCT
eurjchem-2673	342	5	anbuselvi	anbuselvi	PROPN
eurjchem-2673	342	6	,	,	PUNCT
eurjchem-2673	342	7	d.	d.	PROPN
eurjchem-2673	342	8	;	;	PUNCT
eurjchem-2673	342	9	jayaraman	jayaraman	NOUN
eurjchem-2673	342	10	,	,	PUNCT
eurjchem-2673	342	11	d.	d.	PROPN
eurjchem-2673	342	12	;	;	PUNCT
eurjchem-2673	342	13	nagaraja	nagaraja	PROPN
eurjchem-2673	342	14	,	,	PUNCT
eurjchem-2673	342	15	k.	k.	PROPN
eurjchem-2673	342	16	;	;	PUNCT
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eurjchem-2673	342	18	,	,	PUNCT
eurjchem-2673	342	19	b.	b.	PROPN
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eurjchem-2673	342	21	,	,	PUNCT
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eurjchem-2673	342	23	,	,	PUNCT
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eurjchem-2673	342	32	material	material	NOUN
eurjchem-2673	342	33	–	–	PUNCT
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eurjchem-2673	342	35	-	-	PUNCT
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eurjchem-2673	342	39	-	-	PUNCT
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eurjchem-2673	342	41	.	.	PUNCT
eurjchem-2673	343	1	spectrochim	spectrochim	PROPN
eurjchem-2673	343	2	.	.	PUNCT
eurjchem-2673	344	1	acta	acta	PROPN
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eurjchem-2673	344	3	:	:	SYM
eurjchem-2673	344	4	mol	mol	PROPN
eurjchem-2673	344	5	.	.	PROPN
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eurjchem-2673	344	7	.	.	PUNCT
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eurjchem-2673	345	2	.	.	PUNCT
eurjchem-2673	346	1	2014	2014	NUM
eurjchem-2673	346	2	,	,	PUNCT
eurjchem-2673	346	3	132	132	NUM
eurjchem-2673	346	4	,	,	PUNCT
eurjchem-2673	346	5	330–338	330–338	NUM
eurjchem-2673	346	6	.	.	PUNCT
eurjchem-2673	347	1	[	[	X
eurjchem-2673	347	2	20	20	NUM
eurjchem-2673	347	3	]	]	PUNCT
eurjchem-2673	347	4	.	.	PUNCT
eurjchem-2673	348	1	alexandar	alexandar	PROPN
eurjchem-2673	348	2	,	,	PUNCT
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eurjchem-2673	348	4	;	;	PUNCT
eurjchem-2673	348	5	surendran	surendran	NOUN
eurjchem-2673	348	6	,	,	PUNCT
eurjchem-2673	348	7	p.	p.	PROPN
eurjchem-2673	348	8	;	;	PUNCT
eurjchem-2673	348	9	sakthy	sakthy	PROPN
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eurjchem-2673	348	11	,	,	PUNCT
eurjchem-2673	348	12	s.	s.	PROPN
eurjchem-2673	348	13	;	;	PUNCT
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eurjchem-2673	348	15	,	,	PUNCT
eurjchem-2673	348	16	a.	a.	NOUN
eurjchem-2673	348	17	;	;	PUNCT
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eurjchem-2673	348	35	.	.	PUNCT
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eurjchem-2673	349	4	.	.	PUNCT
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eurjchem-2673	350	2	.	.	PUNCT
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eurjchem-2673	351	2	.	.	NOUN
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eurjchem-2673	351	4	,	,	PUNCT
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eurjchem-2673	351	6	(	(	PUNCT
eurjchem-2673	351	7	04	04	NUM
eurjchem-2673	351	8	)	)	PUNCT
eurjchem-2673	351	9	,	,	PUNCT
eurjchem-2673	351	10	1650052	1650052	NUM
eurjchem-2673	351	11	.	.	PUNCT
eurjchem-2673	352	1	[	[	X
eurjchem-2673	352	2	21	21	NUM
eurjchem-2673	352	3	]	]	PUNCT
eurjchem-2673	352	4	.	.	PUNCT
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eurjchem-2673	352	8	;	;	PUNCT
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eurjchem-2673	352	10	,	,	PUNCT
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eurjchem-2673	352	12	w.	w.	PROPN
eurjchem-2673	352	13	rearrangement	rearrangement	PROPN
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eurjchem-2673	352	24	.	.	PUNCT
eurjchem-2673	353	1	science	science	NOUN
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eurjchem-2673	353	3	,	,	PUNCT
eurjchem-2673	353	4	121	121	NUM
eurjchem-2673	353	5	(	(	PUNCT
eurjchem-2673	353	6	3152	3152	NUM
eurjchem-2673	353	7	)	)	PUNCT
eurjchem-2673	353	8	,	,	PUNCT
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eurjchem-2673	353	10	.	.	PUNCT
eurjchem-2673	354	1	[	[	X
eurjchem-2673	354	2	22	22	NUM
eurjchem-2673	354	3	]	]	PUNCT
eurjchem-2673	354	4	.	.	PUNCT
eurjchem-2673	355	1	puleo	puleo	PROPN
eurjchem-2673	355	2	,	,	PUNCT
eurjchem-2673	355	3	t.	t.	PROPN
eurjchem-2673	355	4	r.	r.	PROPN
eurjchem-2673	355	5	;	;	PUNCT
eurjchem-2673	355	6	bandar	bandar	PROPN
eurjchem-2673	355	7	,	,	PUNCT
eurjchem-2673	355	8	j.	j.	PROPN
eurjchem-2673	355	9	s.	s.	PROPN
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eurjchem-2673	355	14	halide	halide	NOUN
eurjchem-2673	355	15	isomerization	isomerization	NOUN
eurjchem-2673	355	16	enables	enable	VERB
eurjchem-2673	355	17	the	the	DET
eurjchem-2673	355	18	4	4	NUM
eurjchem-2673	355	19	-	-	PUNCT
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eurjchem-2673	355	24	-	-	PUNCT
eurjchem-2673	355	25	bromopyridines	bromopyridine	NOUN
eurjchem-2673	355	26	.	.	PUNCT
eurjchem-2673	356	1	chem	chem	NOUN
eurjchem-2673	356	2	.	.	PUNCT
eurjchem-2673	357	1	sci	sci	PROPN
eurjchem-2673	357	2	.	.	PROPN
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eurjchem-2673	357	4	,	,	PUNCT
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eurjchem-2673	357	6	(	(	PUNCT
eurjchem-2673	357	7	38	38	NUM
eurjchem-2673	357	8	)	)	PUNCT
eurjchem-2673	357	9	,	,	PUNCT
eurjchem-2673	357	10	10517–10522	10517–10522	NUM
eurjchem-2673	357	11	.	.	PUNCT
eurjchem-2673	358	1	[	[	X
eurjchem-2673	358	2	23	23	NUM
eurjchem-2673	358	3	]	]	PUNCT
eurjchem-2673	358	4	.	.	PUNCT
eurjchem-2673	359	1	janczak	janczak	PROPN
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eurjchem-2673	359	16	-	-	PUNCT
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eurjchem-2673	359	18	.	.	PUNCT
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eurjchem-2673	360	3	2023	2023	NUM
eurjchem-2673	360	4	,	,	PUNCT
eurjchem-2673	360	5	35	35	NUM
eurjchem-2673	360	6	(	(	PUNCT
eurjchem-2673	360	7	4	4	NUM
eurjchem-2673	360	8	)	)	PUNCT
eurjchem-2673	360	9	,	,	PUNCT
eurjchem-2673	360	10	1183–1198	1183–1198	NUM
eurjchem-2673	360	11	.	.	PUNCT
eurjchem-2673	361	1	[	[	X
eurjchem-2673	361	2	24	24	NUM
eurjchem-2673	361	3	]	]	PUNCT
eurjchem-2673	361	4	.	.	PUNCT
eurjchem-2673	362	1	kannan	kannan	PROPN
eurjchem-2673	362	2	,	,	PUNCT
eurjchem-2673	362	3	v.	v.	PROPN
eurjchem-2673	362	4	;	;	PUNCT
eurjchem-2673	362	5	santha	santha	PROPN
eurjchem-2673	362	6	,	,	PUNCT
eurjchem-2673	362	7	a.	a.	NOUN
eurjchem-2673	362	8	;	;	PUNCT
eurjchem-2673	362	9	sugumar	sugumar	PROPN
eurjchem-2673	362	10	,	,	PUNCT
eurjchem-2673	362	11	p.	p.	PROPN
eurjchem-2673	362	12	;	;	PUNCT
eurjchem-2673	362	13	brahadeeswaran	brahadeeswaran	PROPN
eurjchem-2673	362	14	,	,	PUNCT
eurjchem-2673	362	15	s.	s.	PROPN
eurjchem-2673	362	16	investigations	investigation	NOUN
eurjchem-2673	362	17	on	on	ADP
eurjchem-2673	362	18	thermal	thermal	ADJ
eurjchem-2673	362	19	,	,	PUNCT
eurjchem-2673	362	20	dielectric	dielectric	NOUN
eurjchem-2673	362	21	,	,	PUNCT
eurjchem-2673	362	22	and	and	CCONJ
eurjchem-2673	362	23	quantum	quantum	ADJ
eurjchem-2673	362	24	chemical	chemical	NOUN
eurjchem-2673	362	25	calculations	calculation	NOUN
eurjchem-2673	362	26	of	of	ADP
eurjchem-2673	362	27	2	2	NUM
eurjchem-2673	362	28	-	-	PUNCT
eurjchem-2673	362	29	amino5	amino5	NOUN
eurjchem-2673	362	30	-	-	PUNCT
eurjchem-2673	362	31	chloropyridinium	chloropyridinium	NOUN
eurjchem-2673	362	32	4	4	NUM
eurjchem-2673	362	33	-	-	NOUN
eurjchem-2673	362	34	aminobenzoate	aminobenzoate	NOUN
eurjchem-2673	362	35	:	:	PUNCT
eurjchem-2673	362	36	a	a	DET
eurjchem-2673	362	37	nonlinear	nonlinear	ADJ
eurjchem-2673	362	38	optical	optical	ADJ
eurjchem-2673	362	39	material	material	NOUN
eurjchem-2673	362	40	.	.	PUNCT
eurjchem-2673	363	1	struct	struct	VERB
eurjchem-2673	363	2	chem	chem	NOUN
eurjchem-2673	363	3	2023	2023	NUM
eurjchem-2673	363	4	,	,	PUNCT
eurjchem-2673	363	5	35	35	NUM
eurjchem-2673	363	6	(	(	PUNCT
eurjchem-2673	363	7	3	3	NUM
eurjchem-2673	363	8	)	)	PUNCT
eurjchem-2673	363	9	,	,	PUNCT
eurjchem-2673	363	10	977–991	977–991	NUM
eurjchem-2673	363	11	.	.	PUNCT
eurjchem-2673	364	1	https://doi.org/10.1007/s11224023-02232-x	https://doi.org/10.1007/s11224023-02232-x	X
eurjchem-2673	365	1	[	[	X
eurjchem-2673	365	2	25	25	NUM
eurjchem-2673	365	3	]	]	PUNCT
eurjchem-2673	365	4	.	.	PUNCT
eurjchem-2673	366	1	sheldrick	sheldrick	NOUN
eurjchem-2673	366	2	,	,	PUNCT
eurjchem-2673	366	3	g.	g.	PROPN
eurjchem-2673	366	4	m.	m.	PROPN
eurjchem-2673	366	5	shelxs-97	shelxs-97	PROPN
eurjchem-2673	366	6	and	and	CCONJ
eurjchem-2673	366	7	shelxl-97	shelxl-97	PROPN
eurjchem-2673	366	8	program	program	NOUN
eurjchem-2673	366	9	for	for	ADP
eurjchem-2673	366	10	crystal	crystal	NOUN
eurjchem-2673	366	11	structure	structure	NOUN
eurjchem-2673	366	12	solution	solution	NOUN
eurjchem-2673	366	13	and	and	CCONJ
eurjchem-2673	366	14	refinement	refinement	NOUN
eurjchem-2673	366	15	.	.	PUNCT
eurjchem-2673	367	1	university	university	NOUN
eurjchem-2673	367	2	of	of	ADP
eurjchem-2673	367	3	gottingen	gottingen	PROPN
eurjchem-2673	367	4	,	,	PUNCT
eurjchem-2673	367	5	germany	germany	PROPN
eurjchem-2673	367	6	,	,	PUNCT
eurjchem-2673	367	7	germany	germany	PROPN
eurjchem-2673	367	8	,	,	PUNCT
eurjchem-2673	367	9	1997	1997	NUM
eurjchem-2673	367	10	.	.	PUNCT
eurjchem-2673	368	1	[	[	X
eurjchem-2673	368	2	26	26	NUM
eurjchem-2673	368	3	]	]	PUNCT
eurjchem-2673	368	4	.	.	PUNCT
eurjchem-2673	368	5	frisch	frisch	PROPN
eurjchem-2673	368	6	,	,	PUNCT
eurjchem-2673	368	7	m.	m.	NOUN
eurjchem-2673	368	8	j.	j.	PROPN
eurjchem-2673	368	9	;	;	PUNCT
eurjchem-2673	368	10	trucks	truck	NOUN
eurjchem-2673	368	11	,	,	PUNCT
eurjchem-2673	368	12	g.	g.	PROPN
eurjchem-2673	368	13	w.	w.	PROPN
eurjchem-2673	368	14	;	;	PUNCT
eurjchem-2673	368	15	schlegel	schlegel	PROPN
eurjchem-2673	368	16	,	,	PUNCT
eurjchem-2673	368	17	h.	h.	PROPN
eurjchem-2673	368	18	b.	b.	PROPN
eurjchem-2673	368	19	;	;	PUNCT
eurjchem-2673	368	20	scuseria	scuseria	PROPN
eurjchem-2673	368	21	,	,	PUNCT
eurjchem-2673	368	22	g.	g.	PROPN
eurjchem-2673	368	23	e.	e.	PROPN
eurjchem-2673	368	24	;	;	PUNCT
eurjchem-2673	368	25	robb	robb	NOUN
eurjchem-2673	368	26	,	,	PUNCT
eurjchem-2673	368	27	m.	m.	NOUN
eurjchem-2673	368	28	a.	a.	PROPN
eurjchem-2673	368	29	;	;	PUNCT
eurjchem-2673	368	30	cheeseman	cheeseman	PROPN
eurjchem-2673	368	31	,	,	PUNCT
eurjchem-2673	368	32	j.	j.	PROPN
eurjchem-2673	368	33	r.	r.	PROPN
eurjchem-2673	368	34	;	;	PUNCT
eurjchem-2673	368	35	montgomery	montgomery	PROPN
eurjchem-2673	368	36	,	,	PUNCT
eurjchem-2673	368	37	j.	j.	PROPN
eurjchem-2673	368	38	a.	a.	PROPN
eurjchem-2673	368	39	;	;	PUNCT
eurjchem-2673	368	40	vreven	vreven	VERB
eurjchem-2673	368	41	,	,	PUNCT
eurjchem-2673	368	42	t.	t.	PROPN
eurjchem-2673	368	43	;	;	PUNCT
eurjchem-2673	368	44	kudin	kudin	PROPN
eurjchem-2673	368	45	,	,	PUNCT
eurjchem-2673	368	46	k.	k.	PROPN
eurjchem-2673	368	47	n.	n.	PROPN
eurjchem-2673	368	48	;	;	PUNCT
eurjchem-2673	368	49	burant	burant	PROPN
eurjchem-2673	368	50	,	,	PUNCT
eurjchem-2673	368	51	j.	j.	PROPN
eurjchem-2673	368	52	c.	c.	PROPN
eurjchem-2673	368	53	;	;	PUNCT
eurjchem-2673	368	54	millam	millam	PROPN
eurjchem-2673	368	55	,	,	PUNCT
eurjchem-2673	368	56	j.	j.	PROPN
eurjchem-2673	368	57	m.	m.	PROPN
eurjchem-2673	368	58	;	;	PUNCT
eurjchem-2673	368	59	iyengar	iyengar	PROPN
eurjchem-2673	368	60	,	,	PUNCT
eurjchem-2673	368	61	s.	s.	PROPN
eurjchem-2673	368	62	s.	s.	PROPN
eurjchem-2673	368	63	;	;	PUNCT
eurjchem-2673	368	64	tomasi	tomasi	PROPN
eurjchem-2673	368	65	,	,	PUNCT
eurjchem-2673	368	66	j.	j.	PROPN
eurjchem-2673	368	67	;	;	PUNCT
eurjchem-2673	368	68	barone	barone	PROPN
eurjchem-2673	368	69	,	,	PUNCT
eurjchem-2673	368	70	v.	v.	PROPN
eurjchem-2673	368	71	;	;	PUNCT
eurjchem-2673	368	72	mennucci	mennucci	PROPN
eurjchem-2673	368	73	,	,	PUNCT
eurjchem-2673	368	74	b.	b.	PROPN
eurjchem-2673	368	75	;	;	PUNCT
eurjchem-2673	368	76	cossi	cossi	PROPN
eurjchem-2673	368	77	,	,	PUNCT
eurjchem-2673	368	78	m.	m.	NOUN
eurjchem-2673	368	79	;	;	PUNCT
eurjchem-2673	368	80	scalmani	scalmani	PROPN
eurjchem-2673	368	81	,	,	PUNCT
eurjchem-2673	368	82	g.	g.	PROPN
eurjchem-2673	368	83	;	;	PUNCT
eurjchem-2673	368	84	rega	rega	PROPN
eurjchem-2673	368	85	,	,	PUNCT
eurjchem-2673	368	86	n.	n.	NOUN
eurjchem-2673	368	87	;	;	PUNCT
eurjchem-2673	368	88	petersson	petersson	PROPN
eurjchem-2673	368	89	,	,	PUNCT
eurjchem-2673	368	90	g.	g.	PROPN
eurjchem-2673	368	91	a.	a.	PROPN
eurjchem-2673	368	92	;	;	PUNCT
eurjchem-2673	368	93	nakatsuji	nakatsuji	PROPN
eurjchem-2673	368	94	,	,	PUNCT
eurjchem-2673	368	95	h.	h.	PROPN
eurjchem-2673	368	96	;	;	PUNCT
eurjchem-2673	368	97	hada	hada	PROPN
eurjchem-2673	368	98	,	,	PUNCT
eurjchem-2673	368	99	m.	m.	NOUN
eurjchem-2673	368	100	;	;	PUNCT
eurjchem-2673	368	101	ehara	ehara	PROPN
eurjchem-2673	368	102	,	,	PUNCT
eurjchem-2673	368	103	m.	m.	NOUN
eurjchem-2673	368	104	;	;	PUNCT
eurjchem-2673	368	105	toyota	toyota	PROPN
eurjchem-2673	368	106	,	,	PUNCT
eurjchem-2673	368	107	k.	k.	PROPN
eurjchem-2673	368	108	;	;	PUNCT
eurjchem-2673	368	109	fukuda	fukuda	PROPN
eurjchem-2673	368	110	,	,	PUNCT
eurjchem-2673	368	111	r.	r.	PROPN
eurjchem-2673	368	112	;	;	PUNCT
eurjchem-2673	368	113	hasegawa	hasegawa	PROPN
eurjchem-2673	368	114	,	,	PUNCT
eurjchem-2673	368	115	j.	j.	PROPN
eurjchem-2673	368	116	;	;	PUNCT
eurjchem-2673	368	117	ishida	ishida	PROPN
eurjchem-2673	368	118	,	,	PUNCT
eurjchem-2673	368	119	m.	m.	NOUN
eurjchem-2673	368	120	;	;	PUNCT
eurjchem-2673	368	121	nakajima	nakajima	PROPN
eurjchem-2673	368	122	,	,	PUNCT
eurjchem-2673	368	123	t.	t.	PROPN
eurjchem-2673	368	124	;	;	PUNCT
eurjchem-2673	368	125	honda	honda	NOUN
eurjchem-2673	368	126	,	,	PUNCT
eurjchem-2673	368	127	y.	y.	PROPN
eurjchem-2673	368	128	;	;	PUNCT
eurjchem-2673	368	129	kitao	kitao	PROPN
eurjchem-2673	368	130	,	,	PUNCT
eurjchem-2673	368	131	o.	o.	PROPN
eurjchem-2673	368	132	;	;	PUNCT
eurjchem-2673	368	133	nakai	nakai	PROPN
eurjchem-2673	368	134	,	,	PUNCT
eurjchem-2673	368	135	h.	h.	PROPN
eurjchem-2673	368	136	;	;	PUNCT
eurjchem-2673	368	137	klene	klene	PROPN
eurjchem-2673	368	138	,	,	PUNCT
eurjchem-2673	368	139	m.	m.	NOUN
eurjchem-2673	368	140	;	;	PUNCT
eurjchem-2673	368	141	li	li	PROPN
eurjchem-2673	368	142	,	,	PUNCT
eurjchem-2673	368	143	x.	x.	PROPN
eurjchem-2673	368	144	;	;	PUNCT
eurjchem-2673	368	145	knox	knox	PROPN
eurjchem-2673	368	146	,	,	PUNCT
eurjchem-2673	368	147	j.	j.	PROPN
eurjchem-2673	368	148	e.	e.	PROPN
eurjchem-2673	368	149	;	;	PUNCT
eurjchem-2673	368	150	hratchian	hratchian	PROPN
eurjchem-2673	368	151	,	,	PUNCT
eurjchem-2673	368	152	h.	h.	PROPN
eurjchem-2673	368	153	p.	p.	PROPN
eurjchem-2673	368	154	;	;	PUNCT
eurjchem-2673	368	155	cross	cross	PROPN
eurjchem-2673	368	156	,	,	PUNCT
eurjchem-2673	368	157	j.	j.	PROPN
eurjchem-2673	368	158	b.	b.	PROPN
eurjchem-2673	368	159	;	;	PUNCT
eurjchem-2673	368	160	adamo	adamo	PROPN
eurjchem-2673	368	161	,	,	PUNCT
eurjchem-2673	368	162	c.	c.	PROPN
eurjchem-2673	368	163	;	;	PUNCT
eurjchem-2673	368	164	jaramillo	jaramillo	PROPN
eurjchem-2673	368	165	,	,	PUNCT
eurjchem-2673	368	166	j.	j.	PROPN
eurjchem-2673	368	167	;	;	PUNCT
eurjchem-2673	368	168	gomperts	gomperts	PROPN
eurjchem-2673	368	169	,	,	PUNCT
eurjchem-2673	368	170	r.	r.	PROPN
eurjchem-2673	368	171	;	;	PUNCT
eurjchem-2673	368	172	stratmann	stratmann	PROPN
eurjchem-2673	368	173	,	,	PUNCT
eurjchem-2673	368	174	r.	r.	PROPN
eurjchem-2673	368	175	e.	e.	PROPN
eurjchem-2673	368	176	;	;	PUNCT
eurjchem-2673	368	177	yazyev	yazyev	PROPN
eurjchem-2673	368	178	,	,	PUNCT
eurjchem-2673	368	179	o.	o.	PROPN
eurjchem-2673	368	180	;	;	PUNCT
eurjchem-2673	368	181	austin	austin	PROPN
eurjchem-2673	368	182	,	,	PUNCT
eurjchem-2673	368	183	a.	a.	PROPN
eurjchem-2673	368	184	j.	j.	PROPN
eurjchem-2673	368	185	;	;	PUNCT
eurjchem-2673	368	186	cammi	cammi	PROPN
eurjchem-2673	368	187	,	,	PUNCT
eurjchem-2673	368	188	r.	r.	PROPN
eurjchem-2673	368	189	;	;	PUNCT
eurjchem-2673	368	190	pomelli	pomelli	PROPN
eurjchem-2673	368	191	,	,	PUNCT
eurjchem-2673	368	192	c.	c.	NOUN
eurjchem-2673	368	193	;	;	PUNCT
eurjchem-2673	368	194	ochterski	ochterski	PROPN
eurjchem-2673	368	195	,	,	PUNCT
eurjchem-2673	368	196	j.	j.	PROPN
eurjchem-2673	368	197	w.	w.	PROPN
eurjchem-2673	368	198	;	;	PUNCT
eurjchem-2673	368	199	ayala	ayala	PROPN
eurjchem-2673	368	200	,	,	PUNCT
eurjchem-2673	368	201	p.	p.	PROPN
eurjchem-2673	368	202	y.	y.	PROPN
eurjchem-2673	368	203	;	;	PUNCT
eurjchem-2673	368	204	morokuma	morokuma	PROPN
eurjchem-2673	368	205	,	,	PUNCT
eurjchem-2673	368	206	k.	k.	PROPN
eurjchem-2673	368	207	;	;	PUNCT
eurjchem-2673	368	208	voth	voth	PROPN
eurjchem-2673	368	209	,	,	PUNCT
eurjchem-2673	368	210	g.	g.	PROPN
eurjchem-2673	368	211	a.	a.	PROPN
eurjchem-2673	368	212	;	;	PUNCT
eurjchem-2673	368	213	salvador	salvador	PROPN
eurjchem-2673	368	214	,	,	PUNCT
eurjchem-2673	368	215	p.	p.	PROPN
eurjchem-2673	368	216	;	;	PUNCT
eurjchem-2673	368	217	dannenberg	dannenberg	PROPN
eurjchem-2673	368	218	,	,	PUNCT
eurjchem-2673	368	219	j.	j.	PROPN
eurjchem-2673	368	220	j.	j.	PROPN
eurjchem-2673	368	221	;	;	PUNCT
eurjchem-2673	368	222	zakrzewski	zakrzewski	PROPN
eurjchem-2673	368	223	,	,	PUNCT
eurjchem-2673	368	224	v.	v.	PROPN
eurjchem-2673	368	225	g.	g.	PROPN
eurjchem-2673	368	226	;	;	PUNCT
eurjchem-2673	368	227	dapprich	dapprich	PROPN
eurjchem-2673	368	228	,	,	PUNCT
eurjchem-2673	368	229	s.	s.	PROPN
eurjchem-2673	368	230	;	;	PUNCT
eurjchem-2673	368	231	daniels	daniels	PROPN
eurjchem-2673	368	232	,	,	PUNCT
eurjchem-2673	368	233	a.	a.	PROPN
eurjchem-2673	368	234	d.	d.	PROPN
eurjchem-2673	368	235	;	;	PUNCT
eurjchem-2673	368	236	strain	strain	NOUN
eurjchem-2673	368	237	,	,	PUNCT
eurjchem-2673	368	238	m.	m.	NOUN
eurjchem-2673	368	239	c.	c.	PROPN
eurjchem-2673	368	240	;	;	PUNCT
eurjchem-2673	368	241	farkas	farkas	PROPN
eurjchem-2673	368	242	,	,	PUNCT
eurjchem-2673	368	243	o.	o.	PROPN
eurjchem-2673	368	244	;	;	PUNCT
eurjchem-2673	368	245	malick	malick	PROPN
eurjchem-2673	368	246	,	,	PUNCT
eurjchem-2673	368	247	d.	d.	PROPN
eurjchem-2673	368	248	k.	k.	PROPN
eurjchem-2673	368	249	;	;	PUNCT
eurjchem-2673	368	250	rabuck	rabuck	VERB
eurjchem-2673	368	251	,	,	PUNCT
eurjchem-2673	368	252	a.	a.	PROPN
eurjchem-2673	368	253	d.	d.	PROPN
eurjchem-2673	368	254	;	;	PUNCT
eurjchem-2673	368	255	raghavachari	raghavachari	PROPN
eurjchem-2673	368	256	,	,	PUNCT
eurjchem-2673	368	257	k	k	PROPN
eurjchem-2673	368	258	;	;	PUNCT
eurjchem-2673	368	259	foresman	foresman	PROPN
eurjchem-2673	368	260	,	,	PUNCT
eurjchem-2673	368	261	j.	j.	PROPN
eurjchem-2673	368	262	b.	b.	PROPN
eurjchem-2673	368	263	;	;	PUNCT
eurjchem-2673	368	264	ortiz	ortiz	PROPN
eurjchem-2673	368	265	,	,	PUNCT
eurjchem-2673	368	266	j.	j.	PROPN
eurjchem-2673	368	267	v.	v.	PROPN
eurjchem-2673	368	268	;	;	PUNCT
eurjchem-2673	368	269	cui	cui	PROPN
eurjchem-2673	368	270	,	,	PUNCT
eurjchem-2673	368	271	q.	q.	PROPN
eurjchem-2673	368	272	;	;	PUNCT
eurjchem-2673	368	273	baboul	baboul	ADJ
eurjchem-2673	368	274	,	,	PUNCT
eurjchem-2673	368	275	a.	a.	NOUN
eurjchem-2673	368	276	g.	g.	PROPN
eurjchem-2673	368	277	;	;	PUNCT
eurjchem-2673	368	278	clifford	clifford	PROPN
eurjchem-2673	368	279	,	,	PUNCT
eurjchem-2673	368	280	s.	s.	PROPN
eurjchem-2673	368	281	;	;	PUNCT
eurjchem-2673	368	282	cioslowski	cioslowski	PROPN
eurjchem-2673	368	283	,	,	PUNCT
eurjchem-2673	368	284	j.	j.	PROPN
eurjchem-2673	368	285	;	;	PUNCT
eurjchem-2673	368	286	stefanov	stefanov	PROPN
eurjchem-2673	368	287	,	,	PUNCT
eurjchem-2673	368	288	b.	b.	PROPN
eurjchem-2673	368	289	b.	b.	PROPN
eurjchem-2673	368	290	;	;	PUNCT
eurjchem-2673	368	291	liu	liu	PROPN
eurjchem-2673	368	292	,	,	PUNCT
eurjchem-2673	368	293	g.	g.	PROPN
eurjchem-2673	368	294	;	;	PUNCT
eurjchem-2673	368	295	liashenko	liashenko	PROPN
eurjchem-2673	368	296	,	,	PUNCT
eurjchem-2673	368	297	a.	a.	NOUN
eurjchem-2673	368	298	;	;	PUNCT
eurjchem-2673	368	299	piskorz	piskorz	PROPN
eurjchem-2673	368	300	,	,	PUNCT
eurjchem-2673	368	301	p.	p.	NOUN
eurjchem-2673	368	302	;	;	PUNCT
eurjchem-2673	368	303	komaromi	komaromi	NOUN
eurjchem-2673	368	304	,	,	PUNCT
eurjchem-2673	368	305	i.	i.	NOUN
eurjchem-2673	368	306	;	;	PUNCT
eurjchem-2673	368	307	martin	martin	PROPN
eurjchem-2673	368	308	,	,	PUNCT
eurjchem-2673	368	309	r.	r.	PROPN
eurjchem-2673	368	310	l.	l.	PROPN
eurjchem-2673	368	311	;	;	PUNCT
eurjchem-2673	368	312	fox	fox	PROPN
eurjchem-2673	368	313	,	,	PUNCT
eurjchem-2673	368	314	d.	d.	PROPN
eurjchem-2673	368	315	j.	j.	PROPN
eurjchem-2673	368	316	;	;	PUNCT
eurjchem-2673	368	317	keith	keith	PROPN
eurjchem-2673	368	318	,	,	PUNCT
eurjchem-2673	368	319	t.	t.	PROPN
eurjchem-2673	368	320	;	;	PUNCT
eurjchem-2673	368	321	al	al	PROPN
eurjchem-2673	368	322	-	-	PUNCT
eurjchem-2673	368	323	laham	laham	PROPN
eurjchem-2673	368	324	,	,	PUNCT
eurjchem-2673	368	325	m.	m.	NOUN
eurjchem-2673	368	326	a.	a.	PROPN
eurjchem-2673	368	327	;	;	PUNCT
eurjchem-2673	368	328	peng	peng	PROPN
eurjchem-2673	368	329	,	,	PUNCT
eurjchem-2673	368	330	c.	c.	PROPN
eurjchem-2673	368	331	y.	y.	PROPN
eurjchem-2673	368	332	;	;	PUNCT
eurjchem-2673	368	333	nanayakkara	nanayakkara	PROPN
eurjchem-2673	368	334	,	,	PUNCT
eurjchem-2673	368	335	a.	a.	NOUN
eurjchem-2673	368	336	;	;	PUNCT
eurjchem-2673	368	337	challacombe	challacombe	ADJ
eurjchem-2673	368	338	,	,	PUNCT
eurjchem-2673	368	339	m.	m.	NOUN
eurjchem-2673	368	340	;	;	PUNCT
eurjchem-2673	368	341	gill	gill	PROPN
eurjchem-2673	368	342	,	,	PUNCT
eurjchem-2673	368	343	p.	p.	PROPN
eurjchem-2673	368	344	m.	m.	PROPN
eurjchem-2673	368	345	w.	w.	PROPN
eurjchem-2673	368	346	;	;	PUNCT
eurjchem-2673	368	347	johnson	johnson	PROPN
eurjchem-2673	368	348	,	,	PUNCT
eurjchem-2673	368	349	b.	b.	PROPN
eurjchem-2673	368	350	;	;	PUNCT
eurjchem-2673	368	351	chen	chen	PROPN
eurjchem-2673	368	352	,	,	PUNCT
eurjchem-2673	368	353	w.	w.	PROPN
eurjchem-2673	368	354	;	;	PUNCT
eurjchem-2673	368	355	wong	wong	PROPN
eurjchem-2673	368	356	,	,	PUNCT
eurjchem-2673	368	357	m.	m.	PROPN
eurjchem-2673	368	358	w.	w.	PROPN
eurjchem-2673	368	359	;	;	PUNCT
eurjchem-2673	368	360	gonzalez	gonzalez	PROPN
eurjchem-2673	368	361	,	,	PUNCT
eurjchem-2673	368	362	c.	c.	PROPN
eurjchem-2673	368	363	;	;	PUNCT
eurjchem-2673	368	364	pople	pople	PROPN
eurjchem-2673	368	365	,	,	PUNCT
eurjchem-2673	368	366	j.	j.	PROPN
eurjchem-2673	368	367	a.	a.	PROPN
eurjchem-2673	368	368	gaussian	gaussian	PROPN
eurjchem-2673	368	369	,	,	PUNCT
eurjchem-2673	368	370	inc	inc	PROPN
eurjchem-2673	368	371	.	.	PROPN
eurjchem-2673	368	372	,	,	PUNCT
eurjchem-2673	368	373	wallingford	wallingford	PROPN
eurjchem-2673	368	374	ct	ct	PROPN
eurjchem-2673	368	375	,	,	PUNCT
eurjchem-2673	368	376	2004	2004	NUM
eurjchem-2673	368	377	.	.	PUNCT
eurjchem-2673	369	1	[	[	X
eurjchem-2673	369	2	27	27	NUM
eurjchem-2673	369	3	]	]	PUNCT
eurjchem-2673	369	4	.	.	PUNCT
eurjchem-2673	370	1	dennington	dennington	PROPN
eurjchem-2673	370	2	,	,	PUNCT
eurjchem-2673	370	3	r.	r.	PROPN
eurjchem-2673	370	4	;	;	PUNCT
eurjchem-2673	370	5	keith	keith	PROPN
eurjchem-2673	370	6	,	,	PUNCT
eurjchem-2673	370	7	t.	t.	PROPN
eurjchem-2673	370	8	a.	a.	NOUN
eurjchem-2673	370	9	;	;	PUNCT
eurjchem-2673	370	10	millam	millam	PROPN
eurjchem-2673	370	11	,	,	PUNCT
eurjchem-2673	370	12	j.	j.	PROPN
eurjchem-2673	370	13	m.	m.	PROPN
eurjchem-2673	370	14	gaussview	gaussview	PROPN
eurjchem-2673	370	15	,	,	PUNCT
eurjchem-2673	370	16	version	version	NOUN
eurjchem-2673	370	17	6	6	NUM
eurjchem-2673	370	18	,	,	PUNCT
eurjchem-2673	370	19	semichem	semichem	PROPN
eurjchem-2673	370	20	inc	inc	PROPN
eurjchem-2673	370	21	.	.	PROPN
eurjchem-2673	370	22	;	;	PUNCT
eurjchem-2673	370	23	shawnee	shawnee	NOUN
eurjchem-2673	370	24	mission	mission	NOUN
eurjchem-2673	370	25	,	,	PUNCT
eurjchem-2673	370	26	ks	ks	NOUN
eurjchem-2673	370	27	,	,	PUNCT
eurjchem-2673	370	28	2016	2016	NUM
eurjchem-2673	370	29	.	.	PUNCT
eurjchem-2673	371	1	[	[	X
eurjchem-2673	371	2	28	28	NUM
eurjchem-2673	371	3	]	]	PUNCT
eurjchem-2673	371	4	.	.	PUNCT
eurjchem-2673	372	1	foresman	foresman	PROPN
eurjchem-2673	372	2	,	,	PUNCT
eurjchem-2673	372	3	j.	j.	PROPN
eurjchem-2673	372	4	b.	b.	PROPN
eurjchem-2673	372	5	;	;	PUNCT
eurjchem-2673	372	6	frisch	frisch	PROPN
eurjchem-2673	372	7	,	,	PUNCT
eurjchem-2673	372	8	æ	æ	PROPN
eurjchem-2673	372	9	.	.	PUNCT
eurjchem-2673	373	1	in	in	ADP
eurjchem-2673	373	2	exploring	explore	VERB
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eurjchem-2673	373	4	with	with	ADP
eurjchem-2673	373	5	electronic	electronic	ADJ
eurjchem-2673	373	6	structure	structure	NOUN
eurjchem-2673	373	7	methods	method	NOUN
eurjchem-2673	373	8	,	,	PUNCT
eurjchem-2673	373	9	2nd	2nd	ADJ
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eurjchem-2673	373	11	.	.	PUNCT
eurjchem-2673	373	12	;	;	PUNCT
eurjchem-2673	373	13	gaussian	gaussian	PROPN
eurjchem-2673	373	14	inc	inc	PROPN
eurjchem-2673	373	15	.	.	PROPN
eurjchem-2673	373	16	:	:	PUNCT
eurjchem-2673	374	1	pittsburgh	pittsburgh	PROPN
eurjchem-2673	374	2	,	,	PUNCT
eurjchem-2673	374	3	pa	pa	PROPN
eurjchem-2673	374	4	,	,	PUNCT
eurjchem-2673	374	5	1996	1996	NUM
eurjchem-2673	374	6	.	.	PUNCT
eurjchem-2673	375	1	[	[	X
eurjchem-2673	375	2	29	29	NUM
eurjchem-2673	375	3	]	]	PUNCT
eurjchem-2673	375	4	.	.	PUNCT
eurjchem-2673	376	1	walters	walters	PROPN
eurjchem-2673	376	2	,	,	PUNCT
eurjchem-2673	376	3	p.	p.	PROPN
eurjchem-2673	376	4	;	;	PUNCT
eurjchem-2673	376	5	stahl	stahl	PROPN
eurjchem-2673	376	6	,	,	PUNCT
eurjchem-2673	376	7	m.	m.	NOUN
eurjchem-2673	376	8	babel	babel	PROPN
eurjchem-2673	376	9	,	,	PUNCT
eurjchem-2673	376	10	vversion	vversion	NOUN
eurjchem-2673	376	11	1.1	1.1	NUM
eurjchem-2673	376	12	.	.	PUNCT
eurjchem-2673	377	1	department	department	NOUN
eurjchem-2673	377	2	of	of	ADP
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eurjchem-2673	377	4	,	,	PUNCT
eurjchem-2673	377	5	university	university	PROPN
eurjchem-2673	377	6	of	of	ADP
eurjchem-2673	377	7	arizona	arizona	PROPN
eurjchem-2673	377	8	,	,	PUNCT
eurjchem-2673	377	9	tucson	tucson	PROPN
eurjchem-2673	377	10	,	,	PUNCT
eurjchem-2673	377	11	az	az	PROPN
eurjchem-2673	377	12	85721	85721	NUM
eurjchem-2673	377	13	,	,	PUNCT
eurjchem-2673	377	14	1994	1994	NUM
eurjchem-2673	377	15	.	.	PUNCT
eurjchem-2673	378	1	[	[	X
eurjchem-2673	378	2	30	30	NUM
eurjchem-2673	378	3	]	]	PUNCT
eurjchem-2673	378	4	.	.	PUNCT
eurjchem-2673	379	1	essayem	essayem	PROPN
eurjchem-2673	379	2	,	,	PUNCT
eurjchem-2673	379	3	n.	n.	PROPN
eurjchem-2673	379	4	;	;	PUNCT
eurjchem-2673	379	5	lorentz	lorentz	PROPN
eurjchem-2673	379	6	,	,	PUNCT
eurjchem-2673	379	7	c.	c.	PROPN
eurjchem-2673	379	8	;	;	PUNCT
eurjchem-2673	379	9	tuel	tuel	PROPN
eurjchem-2673	379	10	,	,	PUNCT
eurjchem-2673	379	11	a.	a.	NOUN
eurjchem-2673	379	12	;	;	PUNCT
eurjchem-2673	379	13	tâarit	tâarit	NOUN
eurjchem-2673	379	14	,	,	PUNCT
eurjchem-2673	379	15	y.	y.	PROPN
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eurjchem-2673	379	23	-	-	NOUN
eurjchem-2673	379	24	pyridinium	pyridinium	ADJ
eurjchem-2673	379	25	nature	nature	NOUN
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eurjchem-2673	379	28	pyridine	pyridine	ADJ
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eurjchem-2673	379	32	.	.	PUNCT
eurjchem-2673	380	1	catal	catal	PROPN
eurjchem-2673	380	2	.	.	PUNCT
eurjchem-2673	381	1	commun	commun	PROPN
eurjchem-2673	381	2	.	.	PUNCT
eurjchem-2673	382	1	2005	2005	NUM
eurjchem-2673	382	2	,	,	PUNCT
eurjchem-2673	382	3	6	6	NUM
eurjchem-2673	382	4	(	(	PUNCT
eurjchem-2673	382	5	8)	8)	NUM
eurjchem-2673	382	6	,	,	PUNCT
eurjchem-2673	382	7	539–541	539–541	NUM
eurjchem-2673	382	8	.	.	PUNCT
eurjchem-2673	383	1	[	[	X
eurjchem-2673	383	2	31	31	NUM
eurjchem-2673	383	3	]	]	PUNCT
eurjchem-2673	383	4	.	.	PUNCT
eurjchem-2673	384	1	cremer	cremer	PROPN
eurjchem-2673	384	2	,	,	PUNCT
eurjchem-2673	384	3	d.	d.	PROPN
eurjchem-2673	384	4	;	;	PUNCT
eurjchem-2673	384	5	pople	pople	PROPN
eurjchem-2673	384	6	,	,	PUNCT
eurjchem-2673	384	7	j.	j.	PROPN
eurjchem-2673	384	8	a.	a.	PROPN
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eurjchem-2673	384	13	puckering	pucker	VERB
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eurjchem-2673	384	15	.	.	PUNCT
eurjchem-2673	385	1	j.	j.	PROPN
eurjchem-2673	385	2	am	am	PROPN
eurjchem-2673	385	3	.	.	PUNCT
eurjchem-2673	386	1	chem	chem	NOUN
eurjchem-2673	386	2	.	.	PUNCT
eurjchem-2673	387	1	soc	soc	PROPN
eurjchem-2673	387	2	.	.	PUNCT
eurjchem-2673	388	1	1975	1975	NUM
eurjchem-2673	388	2	,	,	PUNCT
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eurjchem-2673	388	4	(	(	PUNCT
eurjchem-2673	388	5	6	6	NUM
eurjchem-2673	388	6	)	)	PUNCT
eurjchem-2673	388	7	,	,	PUNCT
eurjchem-2673	388	8	1354–1358	1354–1358	NUM
eurjchem-2673	388	9	.	.	PUNCT
eurjchem-2673	389	1	[	[	X
eurjchem-2673	389	2	32	32	NUM
eurjchem-2673	389	3	]	]	PUNCT
eurjchem-2673	389	4	.	.	PUNCT
eurjchem-2673	390	1	burnett	burnett	PROPN
eurjchem-2673	390	2	,	,	PUNCT
eurjchem-2673	390	3	m.	m.	NOUN
eurjchem-2673	390	4	n.	n.	PROPN
eurjchem-2673	390	5	;	;	PUNCT
eurjchem-2673	390	6	johnson	johnson	PROPN
eurjchem-2673	390	7	,	,	PUNCT
eurjchem-2673	390	8	c.	c.	PROPN
eurjchem-2673	390	9	k.	k.	PROPN
eurjchem-2673	390	10	(	(	PUNCT
eurjchem-2673	390	11	1996	1996	NUM
eurjchem-2673	390	12	)	)	PUNCT
eurjchem-2673	390	13	.	.	PUNCT
eurjchem-2673	391	1	ortepiii	ortepiii	PROPN
eurjchem-2673	391	2	.	.	PUNCT
eurjchem-2673	392	1	report	report	NOUN
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eurjchem-2673	392	3	.	.	PUNCT
eurjchem-2673	393	1	oak	oak	PROPN
eurjchem-2673	393	2	ridge	ridge	PROPN
eurjchem-2673	393	3	national	national	PROPN
eurjchem-2673	393	4	laboratory	laboratory	PROPN
eurjchem-2673	393	5	,	,	PUNCT
eurjchem-2673	393	6	tennessee	tennessee	PROPN
eurjchem-2673	393	7	,	,	PUNCT
eurjchem-2673	393	8	usa	usa	PROPN
eurjchem-2673	393	9	.	.	PUNCT
eurjchem-2673	394	1	[	[	X
eurjchem-2673	394	2	33	33	NUM
eurjchem-2673	394	3	]	]	PUNCT
eurjchem-2673	394	4	.	.	PUNCT
eurjchem-2673	395	1	steiner	steiner	PROPN
eurjchem-2673	395	2	,	,	PUNCT
eurjchem-2673	395	3	t.	t.	PROPN
eurjchem-2673	395	4	the	the	DET
eurjchem-2673	395	5	hydrogen	hydrogen	NOUN
eurjchem-2673	395	6	bond	bond	NOUN
eurjchem-2673	395	7	in	in	ADP
eurjchem-2673	395	8	the	the	DET
eurjchem-2673	395	9	solid	solid	ADJ
eurjchem-2673	395	10	state	state	NOUN
eurjchem-2673	395	11	.	.	PUNCT
eurjchem-2673	396	1	angew	angew	PROPN
eurjchem-2673	396	2	.	.	PUNCT
eurjchem-2673	397	1	chem	chem	PROPN
eurjchem-2673	397	2	.	.	PUNCT
eurjchem-2673	398	1	int	int	NOUN
eurjchem-2673	398	2	.	.	PUNCT
eurjchem-2673	399	1	ed	ed	NOUN
eurjchem-2673	399	2	.	.	PROPN
eurjchem-2673	400	1	2002	2002	NUM
eurjchem-2673	400	2	,	,	PUNCT
eurjchem-2673	400	3	41	41	NUM
eurjchem-2673	400	4	(	(	PUNCT
eurjchem-2673	400	5	1	1	NUM
eurjchem-2673	400	6	)	)	PUNCT
eurjchem-2673	400	7	,	,	PUNCT
eurjchem-2673	400	8	48–76	48–76	NOUN
eurjchem-2673	400	9	.	.	PUNCT
eurjchem-2673	401	1	[	[	X
eurjchem-2673	401	2	34	34	NUM
eurjchem-2673	401	3	]	]	PUNCT
eurjchem-2673	401	4	.	.	PUNCT
eurjchem-2673	402	1	cook	cook	PROPN
eurjchem-2673	402	2	,	,	PUNCT
eurjchem-2673	402	3	d.	d.	PROPN
eurjchem-2673	402	4	vibrational	vibrational	PROPN
eurjchem-2673	402	5	spectra	spectra	PROPN
eurjchem-2673	402	6	of	of	ADP
eurjchem-2673	402	7	pyridinium	pyridinium	NOUN
eurjchem-2673	402	8	salts	salt	NOUN
eurjchem-2673	402	9	.	.	PUNCT
eurjchem-2673	403	1	can	can	AUX
eurjchem-2673	403	2	.	.	PUNCT
eurjchem-2673	404	1	j.	j.	PROPN
eurjchem-2673	404	2	chem	chem	PROPN
eurjchem-2673	404	3	.	.	PUNCT
eurjchem-2673	405	1	1961	1961	NUM
eurjchem-2673	405	2	,	,	PUNCT
eurjchem-2673	405	3	39	39	NUM
eurjchem-2673	405	4	(	(	PUNCT
eurjchem-2673	405	5	10	10	NUM
eurjchem-2673	405	6	)	)	PUNCT
eurjchem-2673	405	7	,	,	PUNCT
eurjchem-2673	405	8	2009–2024	2009–2024	NUM
eurjchem-2673	405	9	.	.	PUNCT
eurjchem-2673	406	1	[	[	X
eurjchem-2673	406	2	35	35	NUM
eurjchem-2673	406	3	]	]	PUNCT
eurjchem-2673	406	4	.	.	PUNCT
eurjchem-2673	407	1	bryndal	bryndal	PROPN
eurjchem-2673	407	2	,	,	PUNCT
eurjchem-2673	407	3	i.	i.	PROPN
eurjchem-2673	407	4	;	;	PUNCT
eurjchem-2673	407	5	drozd	drozd	PROPN
eurjchem-2673	407	6	,	,	PUNCT
eurjchem-2673	407	7	m.	m.	NOUN
eurjchem-2673	407	8	;	;	PUNCT
eurjchem-2673	407	9	lis	li	NOUN
eurjchem-2673	407	10	,	,	PUNCT
eurjchem-2673	407	11	t.	t.	PROPN
eurjchem-2673	407	12	;	;	PUNCT
eurjchem-2673	407	13	zaręba	zaręba	NOUN
eurjchem-2673	407	14	,	,	PUNCT
eurjchem-2673	407	15	j.	j.	PROPN
eurjchem-2673	407	16	k.	k.	PROPN
eurjchem-2673	407	17	;	;	PUNCT
eurjchem-2673	407	18	ratajczak	ratajczak	PROPN
eurjchem-2673	407	19	,	,	PUNCT
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eurjchem-2673	407	30	-	-	PUNCT
eurjchem-2673	407	31	based	base	VERB
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eurjchem-2673	407	33	pyridine	pyridine	NOUN
eurjchem-2673	407	34	-	-	PUNCT
eurjchem-2673	407	35	based	base	VERB
eurjchem-2673	407	36	components	component	NOUN
eurjchem-2673	407	37	:	:	PUNCT
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eurjchem-2673	407	39	properties	property	NOUN
eurjchem-2673	407	40	and	and	CCONJ
eurjchem-2673	407	41	crystallographic	crystallographic	ADJ
eurjchem-2673	407	42	and	and	CCONJ
eurjchem-2673	407	43	spectroscopic	spectroscopic	ADJ
eurjchem-2673	407	44	studies	study	NOUN
eurjchem-2673	407	45	.	.	PUNCT
eurjchem-2673	408	1	crystengcomm	crystengcomm	NOUN
eurjchem-2673	408	2	2020	2020	NUM
eurjchem-2673	408	3	,	,	PUNCT
eurjchem-2673	408	4	22	22	NUM
eurjchem-2673	408	5	(	(	PUNCT
eurjchem-2673	408	6	27	27	NUM
eurjchem-2673	408	7	)	)	PUNCT
eurjchem-2673	408	8	,	,	PUNCT
eurjchem-2673	408	9	4552–4565	4552–4565	NUM
eurjchem-2673	408	10	.	.	PUNCT
eurjchem-2673	409	1	[	[	X
eurjchem-2673	409	2	36	36	NUM
eurjchem-2673	409	3	]	]	PUNCT
eurjchem-2673	409	4	.	.	PUNCT
eurjchem-2673	410	1	moura	moura	NOUN
eurjchem-2673	410	2	,	,	PUNCT
eurjchem-2673	410	3	a.	a.	PROPN
eurjchem-2673	410	4	l.	l.	PROPN
eurjchem-2673	410	5	;	;	PUNCT
eurjchem-2673	410	6	machado	machado	PROPN
eurjchem-2673	410	7	,	,	PUNCT
eurjchem-2673	410	8	p.	p.	PROPN
eurjchem-2673	410	9	h.	h.	PROPN
eurjchem-2673	410	10	;	;	PUNCT
eurjchem-2673	410	11	corrêa	corrêa	PROPN
eurjchem-2673	410	12	,	,	PUNCT
eurjchem-2673	410	13	r.	r.	PROPN
eurjchem-2673	410	14	s.	s.	PROPN
eurjchem-2673	410	15	picrate	picrate	PROPN
eurjchem-2673	410	16	salts	salt	NOUN
eurjchem-2673	410	17	with	with	ADP
eurjchem-2673	410	18	bipyridine	bipyridine	NOUN
eurjchem-2673	410	19	derivatives	derivative	NOUN
eurjchem-2673	410	20	:	:	PUNCT
eurjchem-2673	410	21	intramolecular	intramolecular	ADJ
eurjchem-2673	410	22	and	and	CCONJ
eurjchem-2673	410	23	intermolecular	intermolecular	ADJ
eurjchem-2673	410	24	aspects	aspect	NOUN
eurjchem-2673	410	25	.	.	PUNCT
eurjchem-2673	411	1	struct	struct	VERB
eurjchem-2673	411	2	chem	chem	NOUN
eurjchem-2673	411	3	2023	2023	NUM
eurjchem-2673	411	4	,	,	PUNCT
eurjchem-2673	411	5	34	34	NUM
eurjchem-2673	411	6	(	(	PUNCT
eurjchem-2673	411	7	5	5	NUM
eurjchem-2673	411	8	)	)	PUNCT
eurjchem-2673	411	9	,	,	PUNCT
eurjchem-2673	411	10	1817–1826	1817–1826	NUM
eurjchem-2673	411	11	.	.	PUNCT
eurjchem-2673	412	1	[	[	X
eurjchem-2673	412	2	37	37	NUM
eurjchem-2673	412	3	]	]	PUNCT
eurjchem-2673	412	4	.	.	PUNCT
eurjchem-2673	413	1	cao	cao	PROPN
eurjchem-2673	413	2	,	,	PUNCT
eurjchem-2673	413	3	h.	h.	PROPN
eurjchem-2673	413	4	;	;	PUNCT
eurjchem-2673	413	5	ben	ben	PROPN
eurjchem-2673	413	6	,	,	PUNCT
eurjchem-2673	413	7	t.	t.	PROPN
eurjchem-2673	413	8	;	;	PUNCT
eurjchem-2673	413	9	su	su	PROPN
eurjchem-2673	413	10	,	,	PUNCT
eurjchem-2673	413	11	z.	z.	PROPN
eurjchem-2673	413	12	;	;	PUNCT
eurjchem-2673	413	13	zhang	zhang	PROPN
eurjchem-2673	413	14	,	,	PUNCT
eurjchem-2673	413	15	m.	m.	NOUN
eurjchem-2673	413	16	;	;	PUNCT
eurjchem-2673	413	17	kan	kan	PROPN
eurjchem-2673	413	18	,	,	PUNCT
eurjchem-2673	413	19	y.	y.	PROPN
eurjchem-2673	413	20	;	;	PUNCT
eurjchem-2673	413	21	yan	yan	PROPN
eurjchem-2673	413	22	,	,	PUNCT
eurjchem-2673	413	23	x.	x.	PROPN
eurjchem-2673	413	24	;	;	PUNCT
eurjchem-2673	413	25	zhang	zhang	PROPN
eurjchem-2673	413	26	,	,	PUNCT
eurjchem-2673	413	27	w.	w.	PROPN
eurjchem-2673	413	28	;	;	PUNCT
eurjchem-2673	413	29	wei	wei	PROPN
eurjchem-2673	413	30	,	,	PUNCT
eurjchem-2673	413	31	y.	y.	PROPN
eurjchem-2673	413	32	absolute	absolute	ADJ
eurjchem-2673	413	33	configuration	configuration	NOUN
eurjchem-2673	413	34	determination	determination	NOUN
eurjchem-2673	413	35	of	of	ADP
eurjchem-2673	413	36	a	a	DET
eurjchem-2673	413	37	new	new	ADJ
eurjchem-2673	413	38	chiral	chiral	ADJ
eurjchem-2673	413	39	rigid	rigid	ADJ
eurjchem-2673	413	40	bisetherketone	bisetherketone	NOUN
eurjchem-2673	413	41	macrocycle	macrocycle	NOUN
eurjchem-2673	413	42	containing	contain	VERB
eurjchem-2673	413	43	binaphthyl	binaphthyl	PROPN
eurjchem-2673	413	44	and	and	CCONJ
eurjchem-2673	413	45	thioether	thioether	ADJ
eurjchem-2673	413	46	moieties	moiety	NOUN
eurjchem-2673	413	47	by	by	ADP
eurjchem-2673	413	48	vibrational	vibrational	ADJ
eurjchem-2673	413	49	circular	circular	ADJ
eurjchem-2673	413	50	dichroism	dichroism	NOUN
eurjchem-2673	413	51	.	.	PUNCT
eurjchem-2673	414	1	macro	macro	ADJ
eurjchem-2673	414	2	chemistry	chemistry	PROPN
eurjchem-2673	414	3	&	&	CCONJ
eurjchem-2673	414	4	physics	physics	PROPN
eurjchem-2673	414	5	2005	2005	NUM
eurjchem-2673	414	6	,	,	PUNCT
eurjchem-2673	414	7	206	206	NUM
eurjchem-2673	414	8	(	(	PUNCT
eurjchem-2673	414	9	11	11	NUM
eurjchem-2673	414	10	)	)	PUNCT
eurjchem-2673	414	11	,	,	PUNCT
eurjchem-2673	414	12	1140–1145	1140–1145	NUM
eurjchem-2673	414	13	.	.	PUNCT
eurjchem-2673	415	1	[	[	X
eurjchem-2673	415	2	38	38	NUM
eurjchem-2673	415	3	]	]	PUNCT
eurjchem-2673	415	4	.	.	PUNCT
eurjchem-2673	416	1	socrates	socrate	NOUN
eurjchem-2673	416	2	,	,	PUNCT
eurjchem-2673	416	3	g.	g.	PROPN
eurjchem-2673	416	4	infrared	infrared	PROPN
eurjchem-2673	416	5	and	and	CCONJ
eurjchem-2673	416	6	raman	raman	ADJ
eurjchem-2673	416	7	characteristic	characteristic	ADJ
eurjchem-2673	416	8	group	group	NOUN
eurjchem-2673	416	9	frequencies	frequency	NOUN
eurjchem-2673	416	10	:	:	PUNCT
eurjchem-2673	416	11	tables	table	NOUN
eurjchem-2673	416	12	and	and	CCONJ
eurjchem-2673	416	13	charts	chart	NOUN
eurjchem-2673	416	14	,	,	PUNCT
eurjchem-2673	416	15	3rd	3rd	ADJ
eurjchem-2673	416	16	edition	edition	NOUN
eurjchem-2673	416	17	,	,	PUNCT
eurjchem-2673	416	18	john	john	PROPN
eurjchem-2673	416	19	wiley	wiley	PROPN
eurjchem-2673	416	20	&	&	CCONJ
eurjchem-2673	416	21	sons	sons	PROPN
eurjchem-2673	416	22	,	,	PUNCT
eurjchem-2673	416	23	inc	inc	PROPN
eurjchem-2673	416	24	.	.	PROPN
eurjchem-2673	416	25	,	,	PUNCT
eurjchem-2673	416	26	new	new	PROPN
eurjchem-2673	416	27	york	york	PROPN
eurjchem-2673	416	28	2004	2004	NUM
eurjchem-2673	416	29	.	.	PUNCT
eurjchem-2673	417	1	[	[	X
eurjchem-2673	417	2	39	39	NUM
eurjchem-2673	417	3	]	]	PUNCT
eurjchem-2673	417	4	.	.	PUNCT
eurjchem-2673	418	1	gümüs	gümüs	PROPN
eurjchem-2673	418	2	,	,	PUNCT
eurjchem-2673	418	3	h.	h.	PROPN
eurjchem-2673	418	4	p.	p.	PROPN
eurjchem-2673	418	5	;	;	PUNCT
eurjchem-2673	419	1	tamer	tame	ADJ
eurjchem-2673	419	2	,	,	PUNCT
eurjchem-2673	419	3	o.	o.	INTJ
eurjchem-2673	419	4	;	;	PUNCT
eurjchem-2673	419	5	avci	avci	PROPN
eurjchem-2673	419	6	,	,	PUNCT
eurjchem-2673	419	7	d.	d.	PROPN
eurjchem-2673	419	8	;	;	PUNCT
eurjchem-2673	419	9	tarcan	tarcan	ADV
eurjchem-2673	419	10	,	,	PUNCT
eurjchem-2673	419	11	e.	e.	PROPN
eurjchem-2673	419	12	;	;	PUNCT
eurjchem-2673	419	13	atalay	atalay	ADJ
eurjchem-2673	419	14	,	,	PUNCT
eurjchem-2673	419	15	y.	y.	PROPN
eurjchem-2673	419	16	theoretical	theoretical	ADJ
eurjchem-2673	419	17	investigations	investigation	NOUN
eurjchem-2673	419	18	on	on	ADP
eurjchem-2673	419	19	nonlinear	nonlinear	ADJ
eurjchem-2673	419	20	optical	optical	ADJ
eurjchem-2673	419	21	and	and	CCONJ
eurjchem-2673	419	22	spectroscopic	spectroscopic	ADJ
eurjchem-2673	419	23	properties	property	NOUN
eurjchem-2673	419	24	of	of	ADP
eurjchem-2673	419	25	6(3,3,4,4,4	6(3,3,4,4,4	PROPN
eurjchem-2673	419	26	-	-	PUNCT
eurjchem-2673	419	27	pentafluoro-2	pentafluoro-2	NUM
eurjchem-2673	419	28	-	-	PUNCT
eurjchem-2673	419	29	hydroxy-1	hydroxy-1	NOUN
eurjchem-2673	419	30	-	-	PUNCT
eurjchem-2673	419	31	butenyl)-2,4	butenyl)-2,4	NOUN
eurjchem-2673	419	32	-	-	PUNCT
eurjchem-2673	419	33	pyrimidinedione	pyrimidinedione	NOUN
eurjchem-2673	419	34	:	:	PUNCT
eurjchem-2673	419	35	an	an	DET
eurjchem-2673	419	36	efficient	efficient	ADJ
eurjchem-2673	419	37	nlo	nlo	PROPN
eurjchem-2673	419	38	material	material	NOUN
eurjchem-2673	419	39	.	.	PUNCT
eurjchem-2673	420	1	russ	russ	PROPN
eurjchem-2673	420	2	.	.	PUNCT
eurjchem-2673	421	1	j.	j.	PROPN
eurjchem-2673	421	2	phys	phys	PROPN
eurjchem-2673	421	3	.	.	PUNCT
eurjchem-2673	422	1	chem	chem	PROPN
eurjchem-2673	422	2	.	.	PUNCT
eurjchem-2673	423	1	2014	2014	NUM
eurjchem-2673	423	2	,	,	PUNCT
eurjchem-2673	423	3	88	88	NUM
eurjchem-2673	423	4	(	(	PUNCT
eurjchem-2673	423	5	13	13	NUM
eurjchem-2673	423	6	)	)	PUNCT
eurjchem-2673	423	7	,	,	PUNCT
eurjchem-2673	423	8	2348	2348	NUM
eurjchem-2673	423	9	–	–	PUNCT
eurjchem-2673	423	10	2358	2358	NUM
eurjchem-2673	423	11	.	.	PUNCT
eurjchem-2673	424	1	[	[	X
eurjchem-2673	424	2	40	40	NUM
eurjchem-2673	424	3	]	]	PUNCT
eurjchem-2673	424	4	.	.	PUNCT
eurjchem-2673	425	1	zhang	zhang	PROPN
eurjchem-2673	425	2	,	,	PUNCT
eurjchem-2673	425	3	j.	j.	PROPN
eurjchem-2673	425	4	;	;	PUNCT
eurjchem-2673	425	5	li	li	PROPN
eurjchem-2673	425	6	,	,	PUNCT
eurjchem-2673	425	7	t.	t.	PROPN
eurjchem-2673	425	8	;	;	PUNCT
eurjchem-2673	425	9	liang	liang	PROPN
eurjchem-2673	425	10	,	,	PUNCT
eurjchem-2673	425	11	j.	j.	PROPN
eurjchem-2673	425	12	;	;	PUNCT
eurjchem-2673	425	13	chen	chen	PROPN
eurjchem-2673	425	14	,	,	PUNCT
eurjchem-2673	425	15	l.	l.	PROPN
eurjchem-2673	425	16	;	;	PUNCT
eurjchem-2673	425	17	zeng	zeng	PROPN
eurjchem-2673	425	18	,	,	PUNCT
eurjchem-2673	425	19	y.	y.	PROPN
eurjchem-2673	425	20	;	;	PUNCT
eurjchem-2673	425	21	yang	yang	PROPN
eurjchem-2673	425	22	,	,	PUNCT
eurjchem-2673	425	23	l.	l.	PROPN
eurjchem-2673	425	24	;	;	PUNCT
eurjchem-2673	425	25	zhou	zhou	PROPN
eurjchem-2673	425	26	,	,	PUNCT
eurjchem-2673	425	27	j.	j.	PROPN
eurjchem-2673	425	28	;	;	PUNCT
eurjchem-2673	425	29	ni	ni	PROPN
eurjchem-2673	425	30	,	,	PUNCT
eurjchem-2673	425	31	c.	c.	PROPN
eurjchem-2673	425	32	synthesis	synthesis	NOUN
eurjchem-2673	425	33	,	,	PUNCT
eurjchem-2673	425	34	crystal	crystal	NOUN
eurjchem-2673	425	35	structure	structure	NOUN
eurjchem-2673	425	36	,	,	PUNCT
eurjchem-2673	425	37	vibrational	vibrational	ADJ
eurjchem-2673	425	38	spectra	spectra	NOUN
eurjchem-2673	425	39	,	,	PUNCT
eurjchem-2673	425	40	optical	optical	ADJ
eurjchem-2673	425	41	properties	property	NOUN
eurjchem-2673	425	42	of	of	ADP
eurjchem-2673	425	43	disubstituted	disubstituted	ADJ
eurjchem-2673	425	44	benzyl	benzyl	NOUN
eurjchem-2673	425	45	triphenylphosphinium	triphenylphosphinium	ADJ
eurjchem-2673	425	46	picrate	picrate	NOUN
eurjchem-2673	425	47	:	:	PUNCT
eurjchem-2673	425	48	experiment	experiment	NOUN
eurjchem-2673	425	49	and	and	CCONJ
eurjchem-2673	425	50	dft	dft	PROPN
eurjchem-2673	425	51	/	/	SYM
eurjchem-2673	425	52	tddft	tddft	NOUN
eurjchem-2673	425	53	calculations	calculation	NOUN
eurjchem-2673	425	54	.	.	PUNCT
eurjchem-2673	426	1	j.	j.	PROPN
eurjchem-2673	426	2	mol	mol	PROPN
eurjchem-2673	426	3	.	.	PROPN
eurjchem-2673	426	4	struct	struct	NOUN
eurjchem-2673	426	5	.	.	PUNCT
eurjchem-2673	427	1	2020	2020	NUM
eurjchem-2673	427	2	,	,	PUNCT
eurjchem-2673	427	3	1210	1210	NUM
eurjchem-2673	427	4	,	,	PUNCT
eurjchem-2673	427	5	127972	127972	NUM
eurjchem-2673	427	6	.	.	PUNCT
eurjchem-2673	428	1	[	[	X
eurjchem-2673	428	2	41	41	NUM
eurjchem-2673	428	3	]	]	PUNCT
eurjchem-2673	428	4	.	.	PUNCT
eurjchem-2673	429	1	parr	parr	PROPN
eurjchem-2673	429	2	,	,	PUNCT
eurjchem-2673	429	3	r.	r.	PROPN
eurjchem-2673	429	4	g.	g.	PROPN
eurjchem-2673	429	5	;	;	PUNCT
eurjchem-2673	429	6	pearson	pearson	PROPN
eurjchem-2673	429	7	,	,	PUNCT
eurjchem-2673	429	8	r.	r.	PROPN
eurjchem-2673	429	9	g.	g.	PROPN
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eurjchem-2673	429	12	:	:	PUNCT
eurjchem-2673	429	13	companion	companion	NOUN
eurjchem-2673	429	14	parameter	parameter	NOUN
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eurjchem-2673	429	16	absolute	absolute	ADJ
eurjchem-2673	429	17	electronegativity	electronegativity	NOUN
eurjchem-2673	429	18	.	.	PUNCT
eurjchem-2673	430	1	j.	j.	PROPN
eurjchem-2673	430	2	am	am	PROPN
eurjchem-2673	430	3	.	.	PUNCT
eurjchem-2673	431	1	chem	chem	NOUN
eurjchem-2673	431	2	.	.	PUNCT
eurjchem-2673	432	1	soc	soc	PROPN
eurjchem-2673	432	2	.	.	PUNCT
eurjchem-2673	433	1	1983	1983	NUM
eurjchem-2673	433	2	,	,	PUNCT
eurjchem-2673	433	3	105	105	NUM
eurjchem-2673	433	4	(	(	PUNCT
eurjchem-2673	433	5	26	26	NUM
eurjchem-2673	433	6	)	)	PUNCT
eurjchem-2673	433	7	,	,	PUNCT
eurjchem-2673	433	8	7512	7512	NUM
eurjchem-2673	433	9	–	–	PUNCT
eurjchem-2673	433	10	7516	7516	NUM
eurjchem-2673	433	11	.	.	PUNCT
eurjchem-2673	434	1	[	[	X
eurjchem-2673	434	2	42	42	NUM
eurjchem-2673	434	3	]	]	PUNCT
eurjchem-2673	434	4	.	.	PUNCT
eurjchem-2673	435	1	xavier	xavier	PROPN
eurjchem-2673	435	2	,	,	PUNCT
eurjchem-2673	435	3	s.	s.	PROPN
eurjchem-2673	435	4	;	;	PUNCT
eurjchem-2673	435	5	periandy	periandy	PROPN
eurjchem-2673	435	6	,	,	PUNCT
eurjchem-2673	435	7	s.	s.	PROPN
eurjchem-2673	435	8	;	;	PUNCT
eurjchem-2673	435	9	ramalingam	ramalingam	NOUN
eurjchem-2673	435	10	,	,	PUNCT
eurjchem-2673	435	11	s.	s.	PROPN
eurjchem-2673	435	12	nbo	nbo	PROPN
eurjchem-2673	435	13	,	,	PUNCT
eurjchem-2673	435	14	conformational	conformational	PROPN
eurjchem-2673	435	15	,	,	PUNCT
eurjchem-2673	435	16	nlo	nlo	PROPN
eurjchem-2673	435	17	,	,	PUNCT
eurjchem-2673	435	18	homo	homo	NOUN
eurjchem-2673	435	19	–	–	PUNCT
eurjchem-2673	435	20	lumo	lumo	NOUN
eurjchem-2673	435	21	,	,	PUNCT
eurjchem-2673	435	22	nmr	nmr	NOUN
eurjchem-2673	435	23	and	and	CCONJ
eurjchem-2673	435	24	electronic	electronic	ADJ
eurjchem-2673	435	25	spectral	spectral	ADJ
eurjchem-2673	435	26	study	study	NOUN
eurjchem-2673	435	27	on	on	ADP
eurjchem-2673	435	28	1	1	NUM
eurjchem-2673	435	29	-	-	PUNCT
eurjchem-2673	435	30	phenyl-1propanol	phenyl-1propanol	NOUN
eurjchem-2673	435	31	by	by	ADP
eurjchem-2673	435	32	quantum	quantum	ADJ
eurjchem-2673	435	33	computational	computational	ADJ
eurjchem-2673	435	34	methods	method	NOUN
eurjchem-2673	435	35	.	.	PUNCT
eurjchem-2673	436	1	spectrochim	spectrochim	PROPN
eurjchem-2673	436	2	.	.	PUNCT
eurjchem-2673	437	1	acta	acta	PROPN
eurjchem-2673	437	2	a	a	DET
eurjchem-2673	437	3	:	:	SYM
eurjchem-2673	437	4	mol	mol	PROPN
eurjchem-2673	437	5	.	.	PROPN
eurjchem-2673	437	6	biomol	biomol	PROPN
eurjchem-2673	437	7	.	.	PUNCT
eurjchem-2673	438	1	spectrosc	spectrosc	PROPN
eurjchem-2673	438	2	.	.	PUNCT
eurjchem-2673	439	1	2015	2015	NUM
eurjchem-2673	439	2	,	,	PUNCT
eurjchem-2673	439	3	137	137	NUM
eurjchem-2673	439	4	,	,	PUNCT
eurjchem-2673	439	5	306–320	306–320	NUM
eurjchem-2673	439	6	.	.	PUNCT
eurjchem-2673	440	1	[	[	X
eurjchem-2673	440	2	43	43	NUM
eurjchem-2673	440	3	]	]	PUNCT
eurjchem-2673	440	4	.	.	PUNCT
eurjchem-2673	441	1	chattaraj	chattaraj	PROPN
eurjchem-2673	441	2	,	,	PUNCT
eurjchem-2673	441	3	p.	p.	PROPN
eurjchem-2673	441	4	k.	k.	PROPN
eurjchem-2673	441	5	;	;	PUNCT
eurjchem-2673	442	1	sarkar	sarkar	PROPN
eurjchem-2673	442	2	,	,	PUNCT
eurjchem-2673	442	3	u.	u.	PROPN
eurjchem-2673	442	4	;	;	PUNCT
eurjchem-2673	442	5	roy	roy	PROPN
eurjchem-2673	442	6	,	,	PUNCT
eurjchem-2673	442	7	d.	d.	PROPN
eurjchem-2673	442	8	r.	r.	PROPN
eurjchem-2673	442	9	electrophilicity	electrophilicity	PROPN
eurjchem-2673	442	10	index	index	PROPN
eurjchem-2673	442	11	.	.	PUNCT
eurjchem-2673	443	1	chem	chem	PROPN
eurjchem-2673	443	2	.	.	PUNCT
eurjchem-2673	444	1	rev	rev	PROPN
eurjchem-2673	444	2	.	.	PROPN
eurjchem-2673	444	3	2006	2006	NUM
eurjchem-2673	444	4	,	,	PUNCT
eurjchem-2673	444	5	106	106	NUM
eurjchem-2673	444	6	(	(	PUNCT
eurjchem-2673	444	7	6	6	NUM
eurjchem-2673	444	8	)	)	PUNCT
eurjchem-2673	444	9	,	,	PUNCT
eurjchem-2673	444	10	2065–2091	2065–2091	NUM
eurjchem-2673	444	11	.	.	PUNCT
eurjchem-2673	445	1	[	[	X
eurjchem-2673	445	2	44	44	NUM
eurjchem-2673	445	3	]	]	PUNCT
eurjchem-2673	445	4	.	.	PUNCT
eurjchem-2673	445	5	parr	parr	PROPN
eurjchem-2673	445	6	,	,	PUNCT
eurjchem-2673	445	7	r.	r.	PROPN
eurjchem-2673	445	8	g.	g.	PROPN
eurjchem-2673	445	9	;	;	PUNCT
eurjchem-2673	445	10	szentpály	szentpály	PROPN
eurjchem-2673	445	11	,	,	PUNCT
eurjchem-2673	445	12	l.	l.	PROPN
eurjchem-2673	445	13	v.	v.	PROPN
eurjchem-2673	445	14	;	;	PUNCT
eurjchem-2673	445	15	liu	liu	PROPN
eurjchem-2673	445	16	,	,	PUNCT
eurjchem-2673	445	17	s.	s.	PROPN
eurjchem-2673	445	18	electrophilicity	electrophilicity	PROPN
eurjchem-2673	445	19	index	index	PROPN
eurjchem-2673	445	20	.	.	PUNCT
eurjchem-2673	446	1	j.	j.	PROPN
eurjchem-2673	446	2	am	am	PROPN
eurjchem-2673	446	3	.	.	PUNCT
eurjchem-2673	447	1	chem	chem	NOUN
eurjchem-2673	447	2	.	.	PUNCT
eurjchem-2673	448	1	soc	soc	PROPN
eurjchem-2673	448	2	.	.	PUNCT
eurjchem-2673	449	1	1999	1999	NUM
eurjchem-2673	449	2	,	,	PUNCT
eurjchem-2673	449	3	121	121	NUM
eurjchem-2673	449	4	(	(	PUNCT
eurjchem-2673	449	5	9	9	NUM
eurjchem-2673	449	6	)	)	PUNCT
eurjchem-2673	449	7	,	,	PUNCT
eurjchem-2673	449	8	1922–1924	1922–1924	NUM
eurjchem-2673	449	9	.	.	PUNCT
eurjchem-2673	450	1	[	[	X
eurjchem-2673	450	2	45	45	NUM
eurjchem-2673	450	3	]	]	PUNCT
eurjchem-2673	450	4	.	.	PUNCT
eurjchem-2673	451	1	miar	miar	NOUN
eurjchem-2673	451	2	,	,	PUNCT
eurjchem-2673	451	3	m.	m.	NOUN
eurjchem-2673	451	4	;	;	PUNCT
eurjchem-2673	451	5	shiroudi	shiroudi	ADJ
eurjchem-2673	451	6	,	,	PUNCT
eurjchem-2673	451	7	a.	a.	NOUN
eurjchem-2673	451	8	;	;	PUNCT
eurjchem-2673	451	9	pourshamsian	pourshamsian	ADJ
eurjchem-2673	451	10	,	,	PUNCT
eurjchem-2673	451	11	k.	k.	PROPN
eurjchem-2673	451	12	;	;	PUNCT
eurjchem-2673	451	13	oliaey	oliaey	PROPN
eurjchem-2673	451	14	,	,	PUNCT
eurjchem-2673	451	15	a.	a.	PROPN
eurjchem-2673	451	16	r.	r.	PROPN
eurjchem-2673	451	17	;	;	PUNCT
eurjchem-2673	451	18	hatamjafari	hatamjafari	PROPN
eurjchem-2673	451	19	,	,	PUNCT
eurjchem-2673	451	20	f.	f.	PROPN
eurjchem-2673	451	21	theoretical	theoretical	ADJ
eurjchem-2673	451	22	investigations	investigation	NOUN
eurjchem-2673	451	23	on	on	ADP
eurjchem-2673	451	24	the	the	DET
eurjchem-2673	451	25	homo	homo	NOUN
eurjchem-2673	451	26	–	–	PUNCT
eurjchem-2673	451	27	lumo	lumo	NOUN
eurjchem-2673	451	28	gap	gap	NOUN
eurjchem-2673	451	29	and	and	CCONJ
eurjchem-2673	451	30	global	global	ADJ
eurjchem-2673	451	31	reactivity	reactivity	NOUN
eurjchem-2673	451	32	descriptor	descriptor	NOUN
eurjchem-2673	451	33	studies	study	NOUN
eurjchem-2673	451	34	,	,	PUNCT
eurjchem-2673	451	35	natural	natural	ADJ
eurjchem-2673	451	36	bond	bond	NOUN
eurjchem-2673	451	37	orbital	orbital	NOUN
eurjchem-2673	451	38	,	,	PUNCT
eurjchem-2673	451	39	and	and	CCONJ
eurjchem-2673	451	40	nucleusindependent	nucleusindependent	ADJ
eurjchem-2673	451	41	chemical	chemical	NOUN
eurjchem-2673	451	42	shifts	shift	NOUN
eurjchem-2673	451	43	analyses	analyse	VERB
eurjchem-2673	451	44	of	of	ADP
eurjchem-2673	451	45	3	3	NUM
eurjchem-2673	451	46	-	-	PUNCT
eurjchem-2673	451	47	phenylbenzo[d]thiazole2(3h)-imine	phenylbenzo[d]thiazole2(3h)-imine	NOUN
eurjchem-2673	451	48	and	and	CCONJ
eurjchem-2673	451	49	its	its	PRON
eurjchem-2673	451	50	para	para	NOUN
eurjchem-2673	451	51	-	-	PUNCT
eurjchem-2673	451	52	substituted	substitute	VERB
eurjchem-2673	451	53	derivatives	derivative	NOUN
eurjchem-2673	451	54	:	:	PUNCT
eurjchem-2673	451	55	solvent	solvent	ADJ
eurjchem-2673	451	56	and	and	CCONJ
eurjchem-2673	451	57	substituent	substituent	NOUN
eurjchem-2673	451	58	effects	effect	NOUN
eurjchem-2673	451	59	.	.	PUNCT
eurjchem-2673	452	1	j.	j.	PROPN
eurjchem-2673	452	2	chem	chem	PROPN
eurjchem-2673	452	3	.	.	PUNCT
eurjchem-2673	453	1	res	re	NOUN
eurjchem-2673	453	2	.	.	PUNCT
eurjchem-2673	454	1	2020	2020	NUM
eurjchem-2673	454	2	,	,	PUNCT
eurjchem-2673	454	3	45	45	NUM
eurjchem-2673	454	4	(	(	PUNCT
eurjchem-2673	454	5	1	1	NUM
eurjchem-2673	454	6	-	-	SYM
eurjchem-2673	454	7	2	2	NUM
eurjchem-2673	454	8	)	)	PUNCT
eurjchem-2673	454	9	,	,	PUNCT
eurjchem-2673	454	10	147–158	147–158	NUM
eurjchem-2673	454	11	.	.	PUNCT
eurjchem-2673	455	1	[	[	X
eurjchem-2673	455	2	46	46	NUM
eurjchem-2673	455	3	]	]	PUNCT
eurjchem-2673	455	4	.	.	PUNCT
eurjchem-2673	456	1	kayalvizhi	kayalvizhi	PROPN
eurjchem-2673	456	2	,	,	PUNCT
eurjchem-2673	456	3	k.	k.	PROPN
eurjchem-2673	456	4	;	;	PUNCT
eurjchem-2673	456	5	balakrishnan	balakrishnan	PROPN
eurjchem-2673	456	6	,	,	PUNCT
eurjchem-2673	456	7	c.	c.	PROPN
eurjchem-2673	456	8	;	;	PUNCT
eurjchem-2673	456	9	suppuraj	suppuraj	PROPN
eurjchem-2673	456	10	,	,	PUNCT
eurjchem-2673	456	11	p.	p.	NOUN
eurjchem-2673	456	12	;	;	PUNCT
eurjchem-2673	456	13	lakshmanan	lakshmanan	PROPN
eurjchem-2673	456	14	,	,	PUNCT
eurjchem-2673	456	15	p.	p.	PROPN
eurjchem-2673	456	16	;	;	PUNCT
eurjchem-2673	456	17	kalpana	kalpana	PROPN
eurjchem-2673	456	18	,	,	PUNCT
eurjchem-2673	456	19	s.	s.	PROPN
eurjchem-2673	456	20	;	;	PUNCT
eurjchem-2673	456	21	senthan	senthan	PROPN
eurjchem-2673	456	22	,	,	PUNCT
eurjchem-2673	456	23	s.	s.	PROPN
eurjchem-2673	456	24	synthesis	synthesis	PROPN
eurjchem-2673	456	25	,	,	PUNCT
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eurjchem-2673	456	27	characterization	characterization	NOUN
eurjchem-2673	456	28	,	,	PUNCT
eurjchem-2673	456	29	hirshfeld	hirshfeld	PROPN
eurjchem-2673	456	30	surface	surface	PROPN
eurjchem-2673	456	31	and	and	CCONJ
eurjchem-2673	456	32	theoretical	theoretical	ADJ
eurjchem-2673	456	33	studies	study	NOUN
eurjchem-2673	456	34	of	of	ADP
eurjchem-2673	456	35	2	2	NUM
eurjchem-2673	456	36	-	-	PUNCT
eurjchem-2673	456	37	bromopyridinium	bromopyridinium	NOUN
eurjchem-2673	456	38	picrate	picrate	NOUN
eurjchem-2673	456	39	.	.	PUNCT
eurjchem-2673	457	1	mol	mol	PROPN
eurjchem-2673	457	2	.	.	PUNCT
eurjchem-2673	458	1	cryst	cryst	PROPN
eurjchem-2673	458	2	.	.	PUNCT
eurjchem-2673	459	1	liq	liq	NOUN
eurjchem-2673	459	2	.	.	PUNCT
eurjchem-2673	460	1	cryst	cryst	PROPN
eurjchem-2673	460	2	.	.	PUNCT
eurjchem-2673	461	1	2023	2023	NUM
eurjchem-2673	461	2	,	,	PUNCT
eurjchem-2673	461	3	760	760	NUM
eurjchem-2673	461	4	(	(	PUNCT
eurjchem-2673	461	5	1	1	NUM
eurjchem-2673	461	6	)	)	PUNCT
eurjchem-2673	461	7	,	,	PUNCT
eurjchem-2673	461	8	85–98	85–98	NUM
eurjchem-2673	461	9	.	.	PUNCT
eurjchem-2673	462	1	[	[	X
eurjchem-2673	462	2	47	47	NUM
eurjchem-2673	462	3	]	]	PUNCT
eurjchem-2673	462	4	.	.	PUNCT
eurjchem-2673	463	1	politzer	politzer	NOUN
eurjchem-2673	463	2	,	,	PUNCT
eurjchem-2673	463	3	p.	p.	PROPN
eurjchem-2673	463	4	;	;	PUNCT
eurjchem-2673	463	5	murray	murray	PROPN
eurjchem-2673	463	6	,	,	PUNCT
eurjchem-2673	463	7	j.	j.	PROPN
eurjchem-2673	463	8	s.	s.	PROPN
eurjchem-2673	463	9	the	the	DET
eurjchem-2673	463	10	fundamental	fundamental	ADJ
eurjchem-2673	463	11	nature	nature	NOUN
eurjchem-2673	463	12	and	and	CCONJ
eurjchem-2673	463	13	role	role	NOUN
eurjchem-2673	463	14	of	of	ADP
eurjchem-2673	463	15	the	the	DET
eurjchem-2673	463	16	electrostatic	electrostatic	ADJ
eurjchem-2673	463	17	potential	potential	NOUN
eurjchem-2673	463	18	in	in	ADP
eurjchem-2673	463	19	atoms	atom	NOUN
eurjchem-2673	463	20	and	and	CCONJ
eurjchem-2673	463	21	molecules	molecule	NOUN
eurjchem-2673	463	22	.	.	PUNCT
eurjchem-2673	464	1	theor	theor	PROPN
eurjchem-2673	464	2	.	.	PUNCT
eurjchem-2673	464	3	chem	chem	PROPN
eurjchem-2673	464	4	.	.	PUNCT
eurjchem-2673	465	1	acc	acc	PROPN
eurjchem-2673	465	2	.	.	PUNCT
eurjchem-2673	465	3	:	:	PUNCT
eurjchem-2673	466	1	theory	theory	NOUN
eurjchem-2673	466	2	comput	comput	NOUN
eurjchem-2673	466	3	.	.	PUNCT
eurjchem-2673	467	1	model	model	NOUN
eurjchem-2673	467	2	.	.	PUNCT
eurjchem-2673	468	1	(	(	PUNCT
eurjchem-2673	468	2	theor	theor	PROPN
eurjchem-2673	468	3	.	.	PUNCT
eurjchem-2673	469	1	chim	chim	PROPN
eurjchem-2673	469	2	.	.	PUNCT
eurjchem-2673	470	1	acta	acta	PROPN
eurjchem-2673	470	2	)	)	PUNCT
eurjchem-2673	470	3	2002	2002	NUM
eurjchem-2673	470	4	,	,	PUNCT
eurjchem-2673	470	5	108	108	NUM
eurjchem-2673	470	6	(	(	PUNCT
eurjchem-2673	470	7	3	3	NUM
eurjchem-2673	470	8	)	)	PUNCT
eurjchem-2673	470	9	,	,	PUNCT
eurjchem-2673	470	10	134–142	134–142	NUM
eurjchem-2673	470	11	.	.	PUNCT
eurjchem-2673	471	1	[	[	X
eurjchem-2673	471	2	48	48	NUM
eurjchem-2673	471	3	]	]	PUNCT
eurjchem-2673	471	4	.	.	PUNCT
eurjchem-2673	472	1	geerlings	geerling	NOUN
eurjchem-2673	472	2	,	,	PUNCT
eurjchem-2673	472	3	p.	p.	NOUN
eurjchem-2673	472	4	;	;	PUNCT
eurjchem-2673	472	5	proft	proft	PROPN
eurjchem-2673	472	6	,	,	PUNCT
eurjchem-2673	472	7	f.	f.	PROPN
eurjchem-2673	472	8	d.	d.	PROPN
eurjchem-2673	472	9	;	;	PUNCT
eurjchem-2673	472	10	ayers	ayers	PROPN
eurjchem-2673	472	11	,	,	PUNCT
eurjchem-2673	472	12	p.	p.	NOUN
eurjchem-2673	472	13	chapter	chapter	NOUN
eurjchem-2673	472	14	1	1	NUM
eurjchem-2673	472	15	chemical	chemical	NOUN
eurjchem-2673	472	16	reactivity	reactivity	NOUN
eurjchem-2673	472	17	and	and	CCONJ
eurjchem-2673	472	18	the	the	DET
eurjchem-2673	472	19	shape	shape	NOUN
eurjchem-2673	472	20	function	function	NOUN
eurjchem-2673	472	21	.	.	PUNCT
eurjchem-2673	473	1	theor	theor	PROPN
eurjchem-2673	473	2	.	.	PUNCT
eurjchem-2673	474	1	comput	comput	PROPN
eurjchem-2673	474	2	.	.	PUNCT
eurjchem-2673	475	1	chem	chem	NOUN
eurjchem-2673	475	2	.	.	PUNCT
eurjchem-2673	476	1	2007	2007	NUM
eurjchem-2673	476	2	,	,	PUNCT
eurjchem-2673	476	3	19	19	NUM
eurjchem-2673	476	4	,	,	PUNCT
eurjchem-2673	476	5	1–17	1–17	PROPN
eurjchem-2673	476	6	.	.	PUNCT
eurjchem-2673	477	1	[	[	X
eurjchem-2673	477	2	49	49	NUM
eurjchem-2673	477	3	]	]	PUNCT
eurjchem-2673	477	4	.	.	PUNCT
eurjchem-2673	478	1	snehalatha	snehalatha	VERB
eurjchem-2673	478	2	,	,	PUNCT
eurjchem-2673	478	3	m.	m.	NOUN
eurjchem-2673	478	4	;	;	PUNCT
eurjchem-2673	478	5	ravikumar	ravikumar	PROPN
eurjchem-2673	478	6	,	,	PUNCT
eurjchem-2673	478	7	c.	c.	PROPN
eurjchem-2673	478	8	;	;	PUNCT
eurjchem-2673	478	9	hubert	hubert	PROPN
eurjchem-2673	478	10	joe	joe	PROPN
eurjchem-2673	478	11	,	,	PUNCT
eurjchem-2673	478	12	i.	i.	PROPN
eurjchem-2673	478	13	;	;	PUNCT
eurjchem-2673	478	14	sekar	sekar	PROPN
eurjchem-2673	478	15	,	,	PUNCT
eurjchem-2673	478	16	n.	n.	NOUN
eurjchem-2673	478	17	;	;	PUNCT
eurjchem-2673	478	18	jayakumar	jayakumar	NOUN
eurjchem-2673	478	19	,	,	PUNCT
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eurjchem-2673	478	21	spectroscopic	spectroscopic	ADJ
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eurjchem-2673	478	23	and	and	CCONJ
eurjchem-2673	478	24	dft	dft	NOUN
eurjchem-2673	478	25	calculations	calculation	NOUN
eurjchem-2673	478	26	of	of	ADP
eurjchem-2673	478	27	a	a	DET
eurjchem-2673	478	28	food	food	NOUN
eurjchem-2673	478	29	additive	additive	NOUN
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eurjchem-2673	478	31	.	.	PUNCT
eurjchem-2673	479	1	spectrochim	spectrochim	PROPN
eurjchem-2673	479	2	.	.	PUNCT
eurjchem-2673	480	1	acta	acta	PROPN
eurjchem-2673	480	2	a	a	DET
eurjchem-2673	480	3	:	:	SYM
eurjchem-2673	480	4	mol	mol	PROPN
eurjchem-2673	480	5	.	.	PROPN
eurjchem-2673	480	6	biomol	biomol	PROPN
eurjchem-2673	480	7	.	.	PUNCT
eurjchem-2673	481	1	spectrosc	spectrosc	PROPN
eurjchem-2673	481	2	.	.	PUNCT
eurjchem-2673	482	1	2009	2009	NUM
eurjchem-2673	482	2	,	,	PUNCT
eurjchem-2673	482	3	72	72	NUM
eurjchem-2673	482	4	(	(	PUNCT
eurjchem-2673	482	5	3	3	NUM
eurjchem-2673	482	6	)	)	PUNCT
eurjchem-2673	482	7	,	,	PUNCT
eurjchem-2673	482	8	654–662	654–662	NUM
eurjchem-2673	482	9	.	.	PUNCT
eurjchem-2673	483	1	[	[	X
eurjchem-2673	483	2	50	50	NUM
eurjchem-2673	483	3	]	]	PUNCT
eurjchem-2673	483	4	.	.	PUNCT
eurjchem-2673	484	1	james	james	PROPN
eurjchem-2673	484	2	,	,	PUNCT
eurjchem-2673	484	3	c.	c.	PROPN
eurjchem-2673	484	4	;	;	PUNCT
eurjchem-2673	484	5	raj	raj	PROPN
eurjchem-2673	484	6	,	,	PUNCT
eurjchem-2673	484	7	a.	a.	NOUN
eurjchem-2673	484	8	a.	a.	PROPN
eurjchem-2673	484	9	;	;	PUNCT
eurjchem-2673	484	10	reghunathan	reghunathan	PROPN
eurjchem-2673	484	11	,	,	PUNCT
eurjchem-2673	484	12	r.	r.	PROPN
eurjchem-2673	484	13	;	;	PUNCT
eurjchem-2673	484	14	jayakumar	jayakumar	NOUN
eurjchem-2673	484	15	,	,	PUNCT
eurjchem-2673	484	16	v.	v.	PROPN
eurjchem-2673	484	17	s.	s.	PROPN
eurjchem-2673	484	18	;	;	PUNCT
eurjchem-2673	484	19	joe	joe	PROPN
eurjchem-2673	484	20	,	,	PUNCT
eurjchem-2673	484	21	i.	i.	PROPN
eurjchem-2673	484	22	h.	h.	PROPN
eurjchem-2673	484	23	structural	structural	ADJ
eurjchem-2673	484	24	conformation	conformation	NOUN
eurjchem-2673	484	25	and	and	CCONJ
eurjchem-2673	484	26	vibrational	vibrational	ADJ
eurjchem-2673	484	27	spectroscopic	spectroscopic	ADJ
eurjchem-2673	484	28	studies	study	NOUN
eurjchem-2673	484	29	of	of	ADP
eurjchem-2673	484	30	2,6bis(p	2,6bis(p	PROPN
eurjchem-2673	484	31	-	-	PUNCT
eurjchem-2673	484	32	n	n	CCONJ
eurjchem-2673	484	33	,	,	PUNCT
eurjchem-2673	484	34	n	n	CCONJ
eurjchem-2673	484	35	-	-	PUNCT
eurjchem-2673	484	36	dimethyl	dimethyl	NOUN
eurjchem-2673	484	37	benzylidene)cyclohexanone	benzylidene)cyclohexanone	PROPN
eurjchem-2673	484	38	using	use	VERB
eurjchem-2673	484	39	density	density	NOUN
eurjchem-2673	484	40	functional	functional	ADJ
eurjchem-2673	484	41	theory	theory	NOUN
eurjchem-2673	484	42	.	.	PUNCT
eurjchem-2673	485	1	j.	j.	PROPN
eurjchem-2673	485	2	raman	raman	PROPN
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eurjchem-2673	485	4	2006	2006	NUM
eurjchem-2673	485	5	,	,	PUNCT
eurjchem-2673	485	6	37	37	NUM
eurjchem-2673	485	7	(	(	PUNCT
eurjchem-2673	485	8	12	12	NUM
eurjchem-2673	485	9	)	)	PUNCT
eurjchem-2673	485	10	,	,	PUNCT
eurjchem-2673	485	11	1381–1392	1381–1392	NUM
eurjchem-2673	485	12	.	.	PUNCT
eurjchem-2673	486	1	[	[	X
eurjchem-2673	486	2	51	51	NUM
eurjchem-2673	486	3	]	]	PUNCT
eurjchem-2673	486	4	.	.	PUNCT
eurjchem-2673	487	1	liu	liu	PROPN
eurjchem-2673	487	2	,	,	PUNCT
eurjchem-2673	487	3	j.	j.	PROPN
eurjchem-2673	487	4	;	;	PUNCT
eurjchem-2673	487	5	chen	chen	PROPN
eurjchem-2673	487	6	,	,	PUNCT
eurjchem-2673	487	7	z.	z.	PROPN
eurjchem-2673	487	8	;	;	PUNCT
eurjchem-2673	487	9	yuan	yuan	PROPN
eurjchem-2673	487	10	,	,	PUNCT
eurjchem-2673	487	11	s.	s.	PROPN
eurjchem-2673	487	12	study	study	VERB
eurjchem-2673	487	13	on	on	ADP
eurjchem-2673	487	14	the	the	DET
eurjchem-2673	487	15	prediction	prediction	NOUN
eurjchem-2673	487	16	of	of	ADP
eurjchem-2673	487	17	visible	visible	ADJ
eurjchem-2673	487	18	absorption	absorption	NOUN
eurjchem-2673	487	19	maxima	maxima	NOUN
eurjchem-2673	487	20	of	of	ADP
eurjchem-2673	487	21	azobenzene	azobenzene	NOUN
eurjchem-2673	487	22	compounds	compound	NOUN
eurjchem-2673	487	23	.	.	PUNCT
eurjchem-2673	488	1	j.	j.	PROPN
eurjchem-2673	488	2	zheijang	zheijang	PROPN
eurjchem-2673	488	3	univ	univ	PROPN
eurjchem-2673	488	4	sci	sci	PROPN
eurjchem-2673	488	5	b.	b.	PROPN
eurjchem-2673	488	6	2005	2005	NUM
eurjchem-2673	488	7	,	,	PUNCT
eurjchem-2673	488	8	6	6	NUM
eurjchem-2673	488	9	(	(	PUNCT
eurjchem-2673	488	10	6	6	NUM
eurjchem-2673	488	11	)	)	PUNCT
eurjchem-2673	488	12	,	,	PUNCT
eurjchem-2673	488	13	584–589	584–589	NUM
eurjchem-2673	488	14	.	.	PUNCT
eurjchem-2673	489	1	[	[	X
eurjchem-2673	489	2	52	52	NUM
eurjchem-2673	489	3	]	]	PUNCT
eurjchem-2673	489	4	.	.	PUNCT
eurjchem-2673	490	1	sebastian	sebastian	PROPN
eurjchem-2673	490	2	,	,	PUNCT
eurjchem-2673	490	3	s.	s.	PROPN
eurjchem-2673	490	4	;	;	PUNCT
eurjchem-2673	490	5	sundaraganesan	sundaraganesan	NOUN
eurjchem-2673	490	6	,	,	PUNCT
eurjchem-2673	490	7	n.	n.	NOUN
eurjchem-2673	490	8	the	the	DET
eurjchem-2673	490	9	spectroscopic	spectroscopic	NOUN
eurjchem-2673	490	10	(	(	PUNCT
eurjchem-2673	490	11	ft	ft	NOUN
eurjchem-2673	490	12	-	-	PUNCT
eurjchem-2673	490	13	ir	ir	NOUN
eurjchem-2673	490	14	,	,	PUNCT
eurjchem-2673	490	15	ft	ft	PROPN
eurjchem-2673	490	16	-	-	PUNCT
eurjchem-2673	490	17	ir	ir	NOUN
eurjchem-2673	490	18	gas	gas	NOUN
eurjchem-2673	490	19	phase	phase	NOUN
eurjchem-2673	490	20	,	,	PUNCT
eurjchem-2673	490	21	ft	ft	NOUN
eurjchem-2673	490	22	-	-	PUNCT
eurjchem-2673	490	23	raman	raman	NOUN
eurjchem-2673	490	24	and	and	CCONJ
eurjchem-2673	490	25	uv	uv	NOUN
eurjchem-2673	490	26	)	)	PUNCT
eurjchem-2673	490	27	and	and	CCONJ
eurjchem-2673	490	28	nbo	nbo	VERB
eurjchem-2673	490	29	analysis	analysis	NOUN
eurjchem-2673	490	30	of	of	ADP
eurjchem-2673	490	31	4	4	NUM
eurjchem-2673	490	32	-	-	PUNCT
eurjchem-2673	490	33	hydroxypiperidine	hydroxypiperidine	NOUN
eurjchem-2673	490	34	by	by	ADP
eurjchem-2673	490	35	density	density	NOUN
eurjchem-2673	490	36	functional	functional	ADJ
eurjchem-2673	490	37	method	method	NOUN
eurjchem-2673	490	38	.	.	PUNCT
eurjchem-2673	491	1	spectrochim	spectrochim	PROPN
eurjchem-2673	491	2	.	.	PUNCT
eurjchem-2673	492	1	acta	acta	PROPN
eurjchem-2673	492	2	a	a	DET
eurjchem-2673	492	3	:	:	SYM
eurjchem-2673	492	4	mol	mol	PROPN
eurjchem-2673	492	5	.	.	PROPN
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eurjchem-2673	492	7	.	.	PUNCT
eurjchem-2673	493	1	spectrosc	spectrosc	PROPN
eurjchem-2673	493	2	.	.	PUNCT
eurjchem-2673	494	1	2010	2010	NUM
eurjchem-2673	494	2	,	,	PUNCT
eurjchem-2673	494	3	75	75	NUM
eurjchem-2673	494	4	(	(	PUNCT
eurjchem-2673	494	5	3	3	NUM
eurjchem-2673	494	6	)	)	PUNCT
eurjchem-2673	494	7	,	,	PUNCT
eurjchem-2673	494	8	941–952	941–952	NUM
eurjchem-2673	494	9	.	.	PUNCT
eurjchem-2673	495	1	[	[	X
eurjchem-2673	495	2	53	53	NUM
eurjchem-2673	495	3	]	]	PUNCT
eurjchem-2673	495	4	.	.	PUNCT
eurjchem-2673	496	1	coats	coat	NOUN
eurjchem-2673	496	2	,	,	PUNCT
eurjchem-2673	496	3	a.	a.	PROPN
eurjchem-2673	496	4	w.	w.	PROPN
eurjchem-2673	496	5	;	;	PUNCT
eurjchem-2673	496	6	redfern	redfern	PROPN
eurjchem-2673	496	7	,	,	PUNCT
eurjchem-2673	496	8	j.	j.	PROPN
eurjchem-2673	496	9	p.	p.	PROPN
eurjchem-2673	496	10	thermogravimetric	thermogravimetric	ADJ
eurjchem-2673	496	11	analysis	analysis	NOUN
eurjchem-2673	496	12	.	.	PUNCT
eurjchem-2673	497	1	a	a	DET
eurjchem-2673	497	2	review	review	NOUN
eurjchem-2673	497	3	.	.	PUNCT
eurjchem-2673	498	1	analyst	analyst	NOUN
eurjchem-2673	498	2	1963	1963	NUM
eurjchem-2673	498	3	,	,	PUNCT
eurjchem-2673	498	4	88	88	NUM
eurjchem-2673	498	5	(	(	PUNCT
eurjchem-2673	498	6	1053	1053	NUM
eurjchem-2673	498	7	)	)	PUNCT
eurjchem-2673	498	8	,	,	PUNCT
eurjchem-2673	498	9	906	906	NUM
eurjchem-2673	498	10	.	.	PUNCT
eurjchem-2673	499	1	[	[	X
eurjchem-2673	499	2	54	54	NUM
eurjchem-2673	499	3	]	]	PUNCT
eurjchem-2673	499	4	.	.	PUNCT
eurjchem-2673	500	1	jauhar	jauhar	PROPN
eurjchem-2673	500	2	,	,	PUNCT
eurjchem-2673	500	3	r.	r.	PROPN
eurjchem-2673	500	4	m.	m.	PROPN
eurjchem-2673	500	5	;	;	PUNCT
eurjchem-2673	500	6	viswanathan	viswanathan	PROPN
eurjchem-2673	500	7	,	,	PUNCT
eurjchem-2673	500	8	v.	v.	PROPN
eurjchem-2673	500	9	;	;	PUNCT
eurjchem-2673	500	10	vivek	vivek	PROPN
eurjchem-2673	500	11	,	,	PUNCT
eurjchem-2673	500	12	p.	p.	NOUN
eurjchem-2673	500	13	;	;	PUNCT
eurjchem-2673	500	14	vinitha	vinitha	PROPN
eurjchem-2673	500	15	,	,	PUNCT
eurjchem-2673	500	16	g.	g.	PROPN
eurjchem-2673	500	17	;	;	PUNCT
eurjchem-2673	500	18	velmurugan	velmurugan	PROPN
eurjchem-2673	500	19	,	,	PUNCT
eurjchem-2673	500	20	d.	d.	PROPN
eurjchem-2673	500	21	;	;	PUNCT
eurjchem-2673	500	22	murugakoothan	murugakoothan	PROPN
eurjchem-2673	500	23	,	,	PUNCT
eurjchem-2673	500	24	p.	p.	NOUN
eurjchem-2673	500	25	a	a	DET
eurjchem-2673	500	26	new	new	ADJ
eurjchem-2673	500	27	organic	organic	ADJ
eurjchem-2673	500	28	nlo	nlo	PROPN
eurjchem-2673	500	29	material	material	PROPN
eurjchem-2673	500	30	isonicotinamidium	isonicotinamidium	PROPN
eurjchem-2673	500	31	picrate	picrate	NOUN
eurjchem-2673	500	32	(	(	PUNCT
eurjchem-2673	500	33	ispa	ispa	NOUN
eurjchem-2673	500	34	):	):	PUNCT
eurjchem-2673	500	35	crystal	crystal	NOUN
eurjchem-2673	500	36	structure	structure	NOUN
eurjchem-2673	500	37	,	,	PUNCT
eurjchem-2673	500	38	structural	structural	ADJ
eurjchem-2673	500	39	modeling	modeling	NOUN
eurjchem-2673	500	40	and	and	CCONJ
eurjchem-2673	500	41	its	its	PRON
eurjchem-2673	500	42	physicochemical	physicochemical	ADJ
eurjchem-2673	500	43	properties	property	NOUN
eurjchem-2673	500	44	.	.	PUNCT
eurjchem-2673	501	1	rsc	rsc	PROPN
eurjchem-2673	501	2	.	.	PUNCT
eurjchem-2673	502	1	adv	adv	PROPN
eurjchem-2673	502	2	.	.	PROPN
eurjchem-2673	502	3	2016	2016	NUM
eurjchem-2673	502	4	,	,	PUNCT
eurjchem-2673	502	5	6	6	NUM
eurjchem-2673	502	6	(	(	PUNCT
eurjchem-2673	502	7	63	63	NUM
eurjchem-2673	502	8	)	)	PUNCT
eurjchem-2673	502	9	,	,	PUNCT
eurjchem-2673	502	10	57977–57985	57977–57985	NUM
eurjchem-2673	502	11	.	.	PUNCT
eurjchem-2673	503	1	[	[	X
eurjchem-2673	503	2	55	55	NUM
eurjchem-2673	503	3	]	]	PUNCT
eurjchem-2673	503	4	.	.	PUNCT
eurjchem-2673	504	1	ott	ott	PROPN
eurjchem-2673	504	2	,	,	PUNCT
eurjchem-2673	504	3	j.	j.	PROPN
eurjchem-2673	504	4	b.	b.	PROPN
eurjchem-2673	504	5	;	;	PUNCT
eurjchem-2673	504	6	boerio	boerio	NOUN
eurjchem-2673	504	7	-	-	PUNCT
eurjchem-2673	504	8	goates	goate	NOUN
eurjchem-2673	504	9	,	,	PUNCT
eurjchem-2673	504	10	j.	j.	PROPN
eurjchem-2673	504	11	;	;	PUNCT
eurjchem-2673	504	12	beasley	beasley	PROPN
eurjchem-2673	504	13	,	,	PUNCT
eurjchem-2673	504	14	d.	d.	PROPN
eurjchem-2673	504	15	chemical	chemical	PROPN
eurjchem-2673	504	16	thermodynamics	thermodynamic	NOUN
eurjchem-2673	504	17	:	:	PUNCT
eurjchem-2673	504	18	principles	principle	NOUN
eurjchem-2673	504	19	and	and	CCONJ
eurjchem-2673	504	20	applications	application	NOUN
eurjchem-2673	504	21	.	.	PUNCT
eurjchem-2673	505	1	appl	appl	PROPN
eurjchem-2673	505	2	.	.	PROPN
eurjchem-2673	505	3	mech	mech	PROPN
eurjchem-2673	505	4	.	.	PUNCT
eurjchem-2673	506	1	rev	rev	PROPN
eurjchem-2673	506	2	.	.	PROPN
eurjchem-2673	506	3	2001	2001	NUM
eurjchem-2673	506	4	,	,	PUNCT
eurjchem-2673	506	5	54	54	NUM
eurjchem-2673	506	6	(	(	PUNCT
eurjchem-2673	506	7	6	6	NUM
eurjchem-2673	506	8	)	)	PUNCT
eurjchem-2673	506	9	,	,	PUNCT
eurjchem-2673	506	10	b110	b110	PROPN
eurjchem-2673	506	11	–	–	PUNCT
eurjchem-2673	506	12	b110	b110	PROPN
eurjchem-2673	506	13	.	.	PUNCT
eurjchem-2673	507	1	copyright	copyright	NOUN
eurjchem-2673	507	2	©	©	PROPN
eurjchem-2673	507	3	2025	2025	NUM
eurjchem-2673	507	4	by	by	ADP
eurjchem-2673	507	5	authors	author	NOUN
eurjchem-2673	507	6	.	.	PUNCT
eurjchem-2673	508	1	this	this	DET
eurjchem-2673	508	2	work	work	NOUN
eurjchem-2673	508	3	is	be	AUX
eurjchem-2673	508	4	published	publish	VERB
eurjchem-2673	508	5	and	and	CCONJ
eurjchem-2673	508	6	licensed	license	VERB
eurjchem-2673	508	7	by	by	ADP
eurjchem-2673	508	8	atlanta	atlanta	PROPN
eurjchem-2673	508	9	publishing	publishing	PROPN
eurjchem-2673	508	10	house	house	PROPN
eurjchem-2673	508	11	llc	llc	PROPN
eurjchem-2673	508	12	,	,	PUNCT
eurjchem-2673	508	13	atlanta	atlanta	PROPN
eurjchem-2673	508	14	,	,	PUNCT
eurjchem-2673	508	15	ga	ga	PROPN
eurjchem-2673	508	16	,	,	PUNCT
eurjchem-2673	508	17	usa	usa	PROPN
eurjchem-2673	508	18	.	.	PUNCT
eurjchem-2673	509	1	the	the	DET
eurjchem-2673	509	2	full	full	ADJ
eurjchem-2673	509	3	terms	term	NOUN
eurjchem-2673	509	4	of	of	ADP
eurjchem-2673	509	5	this	this	DET
eurjchem-2673	509	6	license	license	NOUN
eurjchem-2673	509	7	are	be	AUX
eurjchem-2673	509	8	available	available	ADJ
eurjchem-2673	509	9	at	at	ADP
eurjchem-2673	509	10	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2673	509	11	and	and	CCONJ
eurjchem-2673	509	12	incorporate	incorporate	VERB
eurjchem-2673	509	13	the	the	DET
eurjchem-2673	509	14	creative	creative	ADJ
eurjchem-2673	509	15	commons	common	NOUN
eurjchem-2673	509	16	attribution	attribution	NOUN
eurjchem-2673	509	17	-	-	PUNCT
eurjchem-2673	509	18	non	non	ADJ
eurjchem-2673	509	19	commercial	commercial	NOUN
eurjchem-2673	509	20	(	(	PUNCT
eurjchem-2673	509	21	cc	cc	NOUN
eurjchem-2673	509	22	by	by	ADP
eurjchem-2673	509	23	nc	nc	PROPN
eurjchem-2673	509	24	)	)	PUNCT
eurjchem-2673	509	25	(	(	PUNCT
eurjchem-2673	509	26	international	international	ADJ
eurjchem-2673	509	27	,	,	PUNCT
eurjchem-2673	509	28	v4.0	v4.0	NOUN
eurjchem-2673	509	29	)	)	PUNCT
eurjchem-2673	509	30	license	license	NOUN
eurjchem-2673	509	31	(	(	PUNCT
eurjchem-2673	509	32	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	NOUN
eurjchem-2673	509	33	)	)	PUNCT
eurjchem-2673	509	34	.	.	PUNCT
eurjchem-2673	510	1	by	by	ADP
eurjchem-2673	510	2	accessing	access	VERB
eurjchem-2673	510	3	the	the	DET
eurjchem-2673	510	4	work	work	NOUN
eurjchem-2673	510	5	,	,	PUNCT
eurjchem-2673	510	6	you	you	PRON
eurjchem-2673	510	7	hereby	hereby	ADV
eurjchem-2673	510	8	accept	accept	VERB
eurjchem-2673	510	9	the	the	DET
eurjchem-2673	510	10	terms	term	NOUN
eurjchem-2673	510	11	.	.	PUNCT
eurjchem-2673	511	1	this	this	PRON
eurjchem-2673	511	2	is	be	AUX
eurjchem-2673	511	3	an	an	DET
eurjchem-2673	511	4	open	open	ADJ
eurjchem-2673	511	5	access	access	NOUN
eurjchem-2673	511	6	article	article	NOUN
eurjchem-2673	511	7	distributed	distribute	VERB
eurjchem-2673	511	8	under	under	ADP
eurjchem-2673	511	9	the	the	DET
eurjchem-2673	511	10	terms	term	NOUN
eurjchem-2673	511	11	and	and	CCONJ
eurjchem-2673	511	12	conditions	condition	NOUN
eurjchem-2673	511	13	of	of	ADP
eurjchem-2673	511	14	the	the	DET
eurjchem-2673	511	15	cc	cc	PROPN
eurjchem-2673	511	16	by	by	ADP
eurjchem-2673	511	17	nc	nc	PROPN
eurjchem-2673	511	18	license	license	PROPN
eurjchem-2673	511	19	,	,	PUNCT
eurjchem-2673	511	20	which	which	PRON
eurjchem-2673	511	21	permits	permit	VERB
eurjchem-2673	511	22	unrestricted	unrestricted	ADJ
eurjchem-2673	511	23	non	non	ADJ
eurjchem-2673	511	24	-	-	ADJ
eurjchem-2673	511	25	commercial	commercial	ADJ
eurjchem-2673	511	26	use	use	NOUN
eurjchem-2673	511	27	,	,	PUNCT
eurjchem-2673	511	28	distribution	distribution	NOUN
eurjchem-2673	511	29	,	,	PUNCT
eurjchem-2673	511	30	and	and	CCONJ
eurjchem-2673	511	31	reproduction	reproduction	NOUN
eurjchem-2673	511	32	in	in	ADP
eurjchem-2673	511	33	any	any	DET
eurjchem-2673	511	34	medium	medium	NOUN
eurjchem-2673	511	35	,	,	PUNCT
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eurjchem-2673	511	37	the	the	DET
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eurjchem-2673	511	39	work	work	NOUN
eurjchem-2673	511	40	is	be	AUX
eurjchem-2673	511	41	properly	properly	ADV
eurjchem-2673	511	42	cited	cite	VERB
eurjchem-2673	511	43	without	without	ADP
eurjchem-2673	511	44	any	any	DET
eurjchem-2673	511	45	further	further	ADJ
eurjchem-2673	511	46	permission	permission	NOUN
eurjchem-2673	511	47	from	from	ADP
eurjchem-2673	511	48	atlanta	atlanta	PROPN
eurjchem-2673	511	49	publishing	publishing	PROPN
eurjchem-2673	511	50	house	house	PROPN
eurjchem-2673	511	51	llc	llc	PROPN
eurjchem-2673	511	52	(	(	PUNCT
eurjchem-2673	511	53	european	european	PROPN
eurjchem-2673	511	54	journal	journal	PROPN
eurjchem-2673	511	55	of	of	ADP
eurjchem-2673	511	56	chemistry	chemistry	NOUN
eurjchem-2673	511	57	)	)	PUNCT
eurjchem-2673	511	58	.	.	PUNCT
eurjchem-2673	512	1	no	no	DET
eurjchem-2673	512	2	use	use	NOUN
eurjchem-2673	512	3	,	,	PUNCT
eurjchem-2673	512	4	distribution	distribution	NOUN
eurjchem-2673	512	5	,	,	PUNCT
eurjchem-2673	512	6	or	or	CCONJ
eurjchem-2673	512	7	reproduction	reproduction	NOUN
eurjchem-2673	512	8	is	be	AUX
eurjchem-2673	512	9	permitted	permit	VERB
eurjchem-2673	512	10	which	which	PRON
eurjchem-2673	512	11	does	do	AUX
eurjchem-2673	512	12	not	not	PART
eurjchem-2673	512	13	comply	comply	VERB
eurjchem-2673	512	14	with	with	ADP
eurjchem-2673	512	15	these	these	DET
eurjchem-2673	512	16	terms	term	NOUN
eurjchem-2673	512	17	.	.	PUNCT
eurjchem-2673	513	1	permissions	permission	NOUN
eurjchem-2673	513	2	for	for	ADP
eurjchem-2673	513	3	commercial	commercial	ADJ
eurjchem-2673	513	4	use	use	NOUN
eurjchem-2673	513	5	of	of	ADP
eurjchem-2673	513	6	this	this	DET
eurjchem-2673	513	7	work	work	NOUN
eurjchem-2673	513	8	beyond	beyond	ADP
eurjchem-2673	513	9	the	the	DET
eurjchem-2673	513	10	scope	scope	NOUN
eurjchem-2673	513	11	of	of	ADP
eurjchem-2673	513	12	the	the	DET
eurjchem-2673	513	13	license	license	NOUN
eurjchem-2673	513	14	(	(	PUNCT
eurjchem-2673	513	15	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2673	513	16	)	)	PUNCT
eurjchem-2673	513	17	are	be	AUX
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eurjchem-2673	513	19	by	by	ADP
eurjchem-2673	513	20	atlanta	atlanta	PROPN
eurjchem-2673	513	21	publishing	publishing	PROPN
eurjchem-2673	513	22	house	house	PROPN
eurjchem-2673	513	23	llc	llc	PROPN
eurjchem-2673	513	24	(	(	PUNCT
eurjchem-2673	513	25	european	european	PROPN
eurjchem-2673	513	26	journal	journal	PROPN
eurjchem-2673	513	27	of	of	ADP
eurjchem-2673	513	28	chemistry	chemistry	NOUN
eurjchem-2673	513	29	)	)	PUNCT
eurjchem-2673	513	30	.	.	PUNCT
eurjchem-2673	514	1	https://doi.org/10.1007/s11224-023-02232-x	https://doi.org/10.1007/s11224-023-02232-x	PROPN
eurjchem-2673	514	2	https://doi.org/10.1007/s11224-023-02232-x	https://doi.org/10.1007/s11224-023-02232-x	PROPN
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eurjchem-2673	514	4	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
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eurjchem-2673	514	6	1	1	NUM
eurjchem-2673	514	7	.	.	PUNCT
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eurjchem-2673	514	9	2	2	NUM
eurjchem-2673	514	10	.	.	PUNCT
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eurjchem-2673	515	3	2.2	2.2	NUM
eurjchem-2673	515	4	.	.	PUNCT
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eurjchem-2673	516	3	2-(pyridine-2	2-(pyridine-2	NUM
eurjchem-2673	516	4	-	-	PUNCT
eurjchem-2673	516	5	ylthio)pyridine-1	ylthio)pyridine-1	NOUN
eurjchem-2673	516	6	-	-	PUNCT
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eurjchem-2673	516	8	picrate	picrate	NOUN
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eurjchem-2673	518	3	3	3	NUM
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eurjchem-2673	523	2	electrostatic	electrostatic	ADJ
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eurjchem-2673	523	5	mep	mep	PROPN
eurjchem-2673	523	6	)	)	PUNCT
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eurjchem-2673	523	9	.	.	PUNCT
eurjchem-2673	523	10	natural	natural	ADJ
eurjchem-2673	523	11	bond	bond	NOUN
eurjchem-2673	523	12	orbital	orbital	NOUN
eurjchem-2673	523	13	(	(	PUNCT
eurjchem-2673	523	14	nbo	nbo	NOUN
eurjchem-2673	523	15	)	)	PUNCT
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eurjchem-2673	524	1	thermal	thermal	ADJ
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eurjchem-2673	525	1	thermodynamic	thermodynamic	ADJ
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eurjchem-2673	525	3	4	4	NUM
eurjchem-2673	525	4	.	.	PUNCT
eurjchem-2673	525	5	conclusions	conclusion	NOUN
eurjchem-2673	525	6	acknowledgements	acknowledgement	VERB
eurjchem-2673	525	7	credit	credit	NOUN
eurjchem-2673	525	8	authorship	authorship	NOUN
eurjchem-2673	525	9	contribution	contribution	NOUN
eurjchem-2673	525	10	statement	statement	NOUN
eurjchem-2673	525	11	disclosure	disclosure	NOUN
eurjchem-2673	525	12	statement	statement	NOUN
eurjchem-2673	525	13	supporting	support	VERB
eurjchem-2673	525	14	information	information	NOUN
eurjchem-2673	525	15	funding	funding	NOUN
eurjchem-2673	525	16	orcid	orcid	NOUN
eurjchem-2673	525	17	and	and	CCONJ
eurjchem-2673	525	18	email	email	NOUN
eurjchem-2673	525	19	references	reference	NOUN
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eurjchem-2673	526	10	:	:	PUNCT
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