id	sid	tid	token	lemma	pos
eurjchem-2551	1	1	synthesis	synthesis	NOUN
eurjchem-2551	1	2	,	,	PUNCT
eurjchem-2551	1	3	spectroscopic	spectroscopic	ADJ
eurjchem-2551	1	4	characterization	characterization	NOUN
eurjchem-2551	1	5	,	,	PUNCT
eurjchem-2551	1	6	crystal	crystal	NOUN
eurjchem-2551	1	7	structure	structure	NOUN
eurjchem-2551	1	8	and	and	CCONJ
eurjchem-2551	1	9	computational	computational	ADJ
eurjchem-2551	1	10	studies	study	NOUN
eurjchem-2551	1	11	of	of	ADP
eurjchem-2551	1	12	two	two	NUM
eurjchem-2551	1	13	new	new	ADJ
eurjchem-2551	1	14	n	n	CCONJ
eurjchem-2551	1	15	-	-	PUNCT
eurjchem-2551	1	16	aroyl	aroyl	NOUN
eurjchem-2551	1	17	-	-	PUNCT
eurjchem-2551	1	18	n′-(2,4,6	n′-(2,4,6	NOUN
eurjchem-2551	1	19	-	-	PUNCT
eurjchem-2551	1	20	tribromophenyl)thioureas	tribromophenyl)thioureas	PROPN
eurjchem-2551	1	21	european	european	ADJ
eurjchem-2551	1	22	journal	journal	PROPN
eurjchem-2551	1	23	of	of	ADP
eurjchem-2551	1	24	chemistry	chemistry	NOUN
eurjchem-2551	1	25	15	15	NUM
eurjchem-2551	1	26	(	(	PUNCT
eurjchem-2551	1	27	2	2	NUM
eurjchem-2551	1	28	)	)	PUNCT
eurjchem-2551	1	29	(	(	PUNCT
eurjchem-2551	1	30	2024	2024	NUM
eurjchem-2551	1	31	)	)	PUNCT
eurjchem-2551	1	32	155	155	NUM
eurjchem-2551	1	33	-	-	SYM
eurjchem-2551	1	34	165	165	NUM
eurjchem-2551	1	35	european	european	ADJ
eurjchem-2551	1	36	journal	journal	NOUN
eurjchem-2551	1	37	of	of	ADP
eurjchem-2551	1	38	chemistry	chemistry	NOUN
eurjchem-2551	1	39	issn	issn	VERB
eurjchem-2551	1	40	2153	2153	NUM
eurjchem-2551	1	41	-	-	SYM
eurjchem-2551	1	42	2249	2249	NUM
eurjchem-2551	1	43	(	(	PUNCT
eurjchem-2551	1	44	print	print	NOUN
eurjchem-2551	1	45	)	)	PUNCT
eurjchem-2551	1	46	/	/	PUNCT
eurjchem-2551	1	47	issn	issn	PROPN
eurjchem-2551	1	48	2153	2153	NUM
eurjchem-2551	1	49	-	-	SYM
eurjchem-2551	1	50	2257	2257	NUM
eurjchem-2551	1	51	(	(	PUNCT
eurjchem-2551	1	52	online	online	ADJ
eurjchem-2551	1	53	)	)	PUNCT
eurjchem-2551	1	54	–	–	PUNCT
eurjchem-2551	2	1	copyright	copyright	NOUN
eurjchem-2551	2	2	©	©	PROPN
eurjchem-2551	2	3	2024	2024	NUM
eurjchem-2551	2	4	the	the	DET
eurjchem-2551	2	5	authors	author	NOUN
eurjchem-2551	2	6	–	–	PUNCT
eurjchem-2551	2	7	atlanta	atlanta	PROPN
eurjchem-2551	2	8	publishing	publishing	PROPN
eurjchem-2551	2	9	house	house	PROPN
eurjchem-2551	2	10	llc	llc	PROPN
eurjchem-2551	2	11	–	–	PUNCT
eurjchem-2551	2	12	printed	print	VERB
eurjchem-2551	2	13	in	in	ADP
eurjchem-2551	2	14	the	the	DET
eurjchem-2551	2	15	usa	usa	PROPN
eurjchem-2551	2	16	.	.	PUNCT
eurjchem-2551	3	1	this	this	DET
eurjchem-2551	3	2	work	work	NOUN
eurjchem-2551	3	3	is	be	AUX
eurjchem-2551	3	4	published	publish	VERB
eurjchem-2551	3	5	and	and	CCONJ
eurjchem-2551	3	6	licensed	license	VERB
eurjchem-2551	3	7	by	by	ADP
eurjchem-2551	3	8	atlanta	atlanta	PROPN
eurjchem-2551	3	9	publishing	publishing	PROPN
eurjchem-2551	3	10	house	house	PROPN
eurjchem-2551	3	11	llc	llc	PROPN
eurjchem-2551	3	12	–	–	PUNCT
eurjchem-2551	3	13	cc	cc	PROPN
eurjchem-2551	3	14	by	by	ADP
eurjchem-2551	3	15	nc	nc	PROPN
eurjchem-2551	3	16	–	–	PUNCT
eurjchem-2551	3	17	some	some	DET
eurjchem-2551	3	18	rights	right	NOUN
eurjchem-2551	3	19	reserved	reserve	VERB
eurjchem-2551	3	20	.	.	PUNCT
eurjchem-2551	4	1	https://dx.doi.org/10.5155/eurjchem.15.2.155-165.2551	https://dx.doi.org/10.5155/eurjchem.15.2.155-165.2551	X
eurjchem-2551	4	2	european	european	PROPN
eurjchem-2551	4	3	journal	journal	PROPN
eurjchem-2551	4	4	of	of	ADP
eurjchem-2551	4	5	chemistry	chemistry	NOUN
eurjchem-2551	4	6	view	view	NOUN
eurjchem-2551	4	7	journal	journal	PROPN
eurjchem-2551	4	8	online	online	PROPN
eurjchem-2551	4	9	view	view	NOUN
eurjchem-2551	4	10	article	article	NOUN
eurjchem-2551	4	11	online	online	ADJ
eurjchem-2551	4	12	synthesis	synthesis	NOUN
eurjchem-2551	4	13	,	,	PUNCT
eurjchem-2551	4	14	spectroscopic	spectroscopic	ADJ
eurjchem-2551	4	15	characterization	characterization	NOUN
eurjchem-2551	4	16	,	,	PUNCT
eurjchem-2551	4	17	crystal	crystal	NOUN
eurjchem-2551	4	18	structure	structure	NOUN
eurjchem-2551	4	19	and	and	CCONJ
eurjchem-2551	4	20	computational	computational	ADJ
eurjchem-2551	4	21	studies	study	NOUN
eurjchem-2551	4	22	of	of	ADP
eurjchem-2551	4	23	two	two	NUM
eurjchem-2551	4	24	new	new	ADJ
eurjchem-2551	4	25	n	n	CCONJ
eurjchem-2551	4	26	-	-	PUNCT
eurjchem-2551	4	27	aroyl	aroyl	NOUN
eurjchem-2551	4	28	-	-	PUNCT
eurjchem-2551	4	29	n′-(2,4,6	n′-(2,4,6	NOUN
eurjchem-2551	4	30	-	-	PUNCT
eurjchem-2551	4	31	tribromophenyl)thioureas	tribromophenyl)thioureas	PROPN
eurjchem-2551	4	32	nahide	nahide	NOUN
eurjchem-2551	4	33	burcu	burcu	PROPN
eurjchem-2551	4	34	arslan	arslan	PROPN
eurjchem-2551	4	35	1	1	NUM
eurjchem-2551	4	36	and	and	CCONJ
eurjchem-2551	4	37	fatma	fatma	PROPN
eurjchem-2551	4	38	aydin	aydin	VERB
eurjchem-2551	4	39	2	2	NUM
eurjchem-2551	4	40	,	,	PUNCT
eurjchem-2551	4	41	*	*	PROPN
eurjchem-2551	4	42	1	1	NUM
eurjchem-2551	4	43	department	department	NOUN
eurjchem-2551	4	44	of	of	ADP
eurjchem-2551	4	45	computer	computer	NOUN
eurjchem-2551	4	46	education	education	NOUN
eurjchem-2551	4	47	and	and	CCONJ
eurjchem-2551	4	48	instructional	instructional	ADJ
eurjchem-2551	4	49	technology	technology	NOUN
eurjchem-2551	4	50	,	,	PUNCT
eurjchem-2551	4	51	faculty	faculty	NOUN
eurjchem-2551	4	52	of	of	ADP
eurjchem-2551	4	53	education	education	NOUN
eurjchem-2551	4	54	,	,	PUNCT
eurjchem-2551	4	55	giresun	giresun	PROPN
eurjchem-2551	4	56	university	university	PROPN
eurjchem-2551	4	57	,	,	PUNCT
eurjchem-2551	4	58	28200	28200	NUM
eurjchem-2551	4	59	,	,	PUNCT
eurjchem-2551	4	60	giresun	giresun	NOUN
eurjchem-2551	4	61	,	,	PUNCT
eurjchem-2551	4	62	turkey	turkey	PROPN
eurjchem-2551	4	63	2	2	NUM
eurjchem-2551	4	64	department	department	NOUN
eurjchem-2551	4	65	of	of	ADP
eurjchem-2551	4	66	chemistry	chemistry	NOUN
eurjchem-2551	4	67	,	,	PUNCT
eurjchem-2551	4	68	faculty	faculty	NOUN
eurjchem-2551	4	69	of	of	ADP
eurjchem-2551	4	70	science	science	NOUN
eurjchem-2551	4	71	,	,	PUNCT
eurjchem-2551	4	72	canakkale	canakkale	ADJ
eurjchem-2551	4	73	onsekiz	onsekiz	PROPN
eurjchem-2551	4	74	mart	mart	PROPN
eurjchem-2551	4	75	university	university	PROPN
eurjchem-2551	4	76	,	,	PUNCT
eurjchem-2551	4	77	17100	17100	NUM
eurjchem-2551	4	78	,	,	PUNCT
eurjchem-2551	4	79	canakkale	canakkale	NOUN
eurjchem-2551	4	80	,	,	PUNCT
eurjchem-2551	4	81	turkey	turkey	NOUN
eurjchem-2551	4	82	*	*	PUNCT
eurjchem-2551	4	83	corresponding	correspond	VERB
eurjchem-2551	4	84	author	author	NOUN
eurjchem-2551	4	85	at	at	ADP
eurjchem-2551	4	86	:	:	PUNCT
eurjchem-2551	4	87	department	department	NOUN
eurjchem-2551	4	88	of	of	ADP
eurjchem-2551	4	89	chemistry	chemistry	NOUN
eurjchem-2551	4	90	,	,	PUNCT
eurjchem-2551	4	91	faculty	faculty	NOUN
eurjchem-2551	4	92	of	of	ADP
eurjchem-2551	4	93	science	science	NOUN
eurjchem-2551	4	94	,	,	PUNCT
eurjchem-2551	4	95	canakkale	canakkale	ADJ
eurjchem-2551	4	96	onsekiz	onsekiz	PROPN
eurjchem-2551	4	97	mart	mart	PROPN
eurjchem-2551	4	98	university	university	PROPN
eurjchem-2551	4	99	,	,	PUNCT
eurjchem-2551	4	100	17100	17100	NUM
eurjchem-2551	4	101	,	,	PUNCT
eurjchem-2551	4	102	canakkale	canakkale	NOUN
eurjchem-2551	4	103	,	,	PUNCT
eurjchem-2551	4	104	turkey	turkey	NOUN
eurjchem-2551	4	105	.	.	PUNCT
eurjchem-2551	5	1	e	e	X
eurjchem-2551	5	2	-	-	NOUN
eurjchem-2551	5	3	mail	mail	NOUN
eurjchem-2551	5	4	:	:	PUNCT
eurjchem-2551	5	5	faydin@comu.edu.tr	faydin@comu.edu.tr	PROPN
eurjchem-2551	5	6	(	(	PUNCT
eurjchem-2551	5	7	f.	f.	PROPN
eurjchem-2551	5	8	aydin	aydin	PROPN
eurjchem-2551	5	9	)	)	PUNCT
eurjchem-2551	5	10	.	.	PUNCT
eurjchem-2551	6	1	10.5155	10.5155	NUM
eurjchem-2551	6	2	/	/	SYM
eurjchem-2551	6	3	eurjchem.15.2.155	eurjchem.15.2.155	NOUN
eurjchem-2551	6	4	-	-	SYM
eurjchem-2551	6	5	165.2551	165.2551	NUM
eurjchem-2551	6	6	received	receive	VERB
eurjchem-2551	6	7	:	:	PUNCT
eurjchem-2551	6	8	15	15	NUM
eurjchem-2551	6	9	march	march	NOUN
eurjchem-2551	6	10	2024	2024	NUM
eurjchem-2551	6	11	received	receive	VERB
eurjchem-2551	6	12	in	in	ADP
eurjchem-2551	6	13	revised	revise	VERB
eurjchem-2551	6	14	form	form	NOUN
eurjchem-2551	6	15	:	:	PUNCT
eurjchem-2551	6	16	16	16	NUM
eurjchem-2551	6	17	april	april	PROPN
eurjchem-2551	6	18	2024	2024	NUM
eurjchem-2551	6	19	accepted	accept	VERB
eurjchem-2551	6	20	:	:	PUNCT
eurjchem-2551	6	21	4	4	NUM
eurjchem-2551	6	22	may	may	AUX
eurjchem-2551	6	23	2024	2024	NUM
eurjchem-2551	6	24	published	publish	VERB
eurjchem-2551	6	25	online	online	ADV
eurjchem-2551	6	26	:	:	PUNCT
eurjchem-2551	6	27	30	30	NUM
eurjchem-2551	6	28	june	june	PROPN
eurjchem-2551	6	29	2024	2024	NUM
eurjchem-2551	6	30	printed	print	VERB
eurjchem-2551	6	31	:	:	PUNCT
eurjchem-2551	6	32	30	30	NUM
eurjchem-2551	6	33	june	june	PROPN
eurjchem-2551	6	34	2024	2024	NUM
eurjchem-2551	6	35	two	two	NUM
eurjchem-2551	6	36	new	new	ADJ
eurjchem-2551	6	37	compounds	compound	NOUN
eurjchem-2551	6	38	,	,	PUNCT
eurjchem-2551	6	39	n	n	CCONJ
eurjchem-2551	6	40	-	-	PUNCT
eurjchem-2551	6	41	benzoyl	benzoyl	NOUN
eurjchem-2551	6	42	-	-	PUNCT
eurjchem-2551	6	43	n'-tribromophenylthiourea	n'-tribromophenylthiourea	NOUN
eurjchem-2551	6	44	(	(	PUNCT
eurjchem-2551	6	45	i	i	NOUN
eurjchem-2551	6	46	)	)	PUNCT
eurjchem-2551	6	47	and	and	CCONJ
eurjchem-2551	6	48	4	4	NUM
eurjchem-2551	6	49	-	-	PUNCT
eurjchem-2551	6	50	nitrobenzoyl	nitrobenzoyl	NOUN
eurjchem-2551	6	51	-	-	PUNCT
eurjchem-2551	6	52	n'tribromophenylthiourea	n'tribromophenylthiourea	PROPN
eurjchem-2551	6	53	(	(	PUNCT
eurjchem-2551	6	54	ii	ii	NOUN
eurjchem-2551	6	55	)	)	PUNCT
eurjchem-2551	6	56	,	,	PUNCT
eurjchem-2551	6	57	were	be	AUX
eurjchem-2551	6	58	synthesized	synthesize	VERB
eurjchem-2551	6	59	and	and	CCONJ
eurjchem-2551	6	60	characterized	characterize	VERB
eurjchem-2551	6	61	by	by	ADP
eurjchem-2551	6	62	1h	1h	NUM
eurjchem-2551	6	63	nmr	nmr	NOUN
eurjchem-2551	6	64	,	,	PUNCT
eurjchem-2551	6	65	13c	13c	NOUN
eurjchem-2551	6	66	nmr	nmr	PROPN
eurjchem-2551	6	67	,	,	PUNCT
eurjchem-2551	6	68	ir	ir	NOUN
eurjchem-2551	6	69	,	,	PUNCT
eurjchem-2551	6	70	and	and	CCONJ
eurjchem-2551	6	71	x	x	X
eurjchem-2551	6	72	-	-	NOUN
eurjchem-2551	6	73	ray	ray	ADJ
eurjchem-2551	6	74	single	single	ADJ
eurjchem-2551	6	75	crystal	crystal	PROPN
eurjchem-2551	6	76	diffraction	diffraction	NOUN
eurjchem-2551	6	77	techniques	technique	NOUN
eurjchem-2551	6	78	.	.	PUNCT
eurjchem-2551	7	1	the	the	DET
eurjchem-2551	7	2	molecular	molecular	ADJ
eurjchem-2551	7	3	geometry	geometry	NOUN
eurjchem-2551	7	4	of	of	ADP
eurjchem-2551	7	5	compounds	compound	NOUN
eurjchem-2551	7	6	i	i	PRON
eurjchem-2551	7	7	and	and	CCONJ
eurjchem-2551	7	8	ii	ii	PROPN
eurjchem-2551	7	9	in	in	ADP
eurjchem-2551	7	10	the	the	DET
eurjchem-2551	7	11	ground	ground	NOUN
eurjchem-2551	7	12	state	state	NOUN
eurjchem-2551	7	13	has	have	AUX
eurjchem-2551	7	14	been	be	AUX
eurjchem-2551	7	15	calculated	calculate	VERB
eurjchem-2551	7	16	by	by	ADP
eurjchem-2551	7	17	using	use	VERB
eurjchem-2551	7	18	the	the	DET
eurjchem-2551	7	19	density	density	NOUN
eurjchem-2551	7	20	functional	functional	ADJ
eurjchem-2551	7	21	theory	theory	NOUN
eurjchem-2551	7	22	(	(	PUNCT
eurjchem-2551	7	23	dft	dft	NOUN
eurjchem-2551	7	24	)	)	PUNCT
eurjchem-2551	7	25	method	method	NOUN
eurjchem-2551	7	26	with	with	ADP
eurjchem-2551	7	27	the	the	DET
eurjchem-2551	7	28	b3lyp/6	b3lyp/6	NOUN
eurjchem-2551	7	29	-	-	NOUN
eurjchem-2551	7	30	311g(d	311g(d	NUM
eurjchem-2551	7	31	,	,	PUNCT
eurjchem-2551	7	32	p	p	NOUN
eurjchem-2551	7	33	)	)	PUNCT
eurjchem-2551	7	34	basis	basis	NOUN
eurjchem-2551	7	35	set	set	NOUN
eurjchem-2551	7	36	and	and	CCONJ
eurjchem-2551	7	37	compared	compare	VERB
eurjchem-2551	7	38	with	with	ADP
eurjchem-2551	7	39	the	the	DET
eurjchem-2551	7	40	experimental	experimental	ADJ
eurjchem-2551	7	41	data	datum	NOUN
eurjchem-2551	7	42	.	.	PUNCT
eurjchem-2551	8	1	the	the	DET
eurjchem-2551	8	2	calculated	calculate	VERB
eurjchem-2551	8	3	results	result	NOUN
eurjchem-2551	8	4	show	show	VERB
eurjchem-2551	8	5	that	that	SCONJ
eurjchem-2551	8	6	the	the	DET
eurjchem-2551	8	7	optimized	optimize	VERB
eurjchem-2551	8	8	geometry	geometry	NOUN
eurjchem-2551	8	9	can	can	AUX
eurjchem-2551	8	10	reproduce	reproduce	VERB
eurjchem-2551	8	11	well	well	ADV
eurjchem-2551	8	12	the	the	DET
eurjchem-2551	8	13	crystal	crystal	ADJ
eurjchem-2551	8	14	structural	structural	ADJ
eurjchem-2551	8	15	parameters	parameter	NOUN
eurjchem-2551	8	16	.	.	PUNCT
eurjchem-2551	9	1	a	a	DET
eurjchem-2551	9	2	detailed	detailed	ADJ
eurjchem-2551	9	3	vibrational	vibrational	ADJ
eurjchem-2551	9	4	spectral	spectral	ADJ
eurjchem-2551	9	5	analysis	analysis	NOUN
eurjchem-2551	9	6	has	have	AUX
eurjchem-2551	9	7	been	be	AUX
eurjchem-2551	9	8	carried	carry	VERB
eurjchem-2551	9	9	out	out	ADP
eurjchem-2551	9	10	,	,	PUNCT
eurjchem-2551	9	11	and	and	CCONJ
eurjchem-2551	9	12	assignments	assignment	NOUN
eurjchem-2551	9	13	of	of	ADP
eurjchem-2551	9	14	the	the	DET
eurjchem-2551	9	15	observed	observe	VERB
eurjchem-2551	9	16	fundamental	fundamental	ADJ
eurjchem-2551	9	17	bands	band	NOUN
eurjchem-2551	9	18	have	have	AUX
eurjchem-2551	9	19	been	be	AUX
eurjchem-2551	9	20	proposed	propose	VERB
eurjchem-2551	9	21	on	on	ADP
eurjchem-2551	9	22	the	the	DET
eurjchem-2551	9	23	basis	basis	NOUN
eurjchem-2551	9	24	of	of	ADP
eurjchem-2551	9	25	peak	peak	NOUN
eurjchem-2551	9	26	positions	position	NOUN
eurjchem-2551	9	27	.	.	PUNCT
eurjchem-2551	10	1	the	the	DET
eurjchem-2551	10	2	scaled	scale	VERB
eurjchem-2551	10	3	theoretical	theoretical	ADJ
eurjchem-2551	10	4	frequencies	frequency	NOUN
eurjchem-2551	10	5	show	show	VERB
eurjchem-2551	10	6	very	very	ADV
eurjchem-2551	10	7	good	good	ADJ
eurjchem-2551	10	8	agreement	agreement	NOUN
eurjchem-2551	10	9	with	with	ADP
eurjchem-2551	10	10	the	the	DET
eurjchem-2551	10	11	experimental	experimental	ADJ
eurjchem-2551	10	12	values	value	NOUN
eurjchem-2551	10	13	.	.	PUNCT
eurjchem-2551	11	1	frontier	frontier	NOUN
eurjchem-2551	11	2	molecular	molecular	ADJ
eurjchem-2551	11	3	orbitals	orbital	NOUN
eurjchem-2551	11	4	energies	energy	NOUN
eurjchem-2551	11	5	(	(	PUNCT
eurjchem-2551	11	6	homo	homo	NOUN
eurjchem-2551	11	7	and	and	CCONJ
eurjchem-2551	11	8	lumo	lumo	NOUN
eurjchem-2551	11	9	)	)	PUNCT
eurjchem-2551	11	10	,	,	PUNCT
eurjchem-2551	11	11	energy	energy	NOUN
eurjchem-2551	11	12	gap	gap	NOUN
eurjchem-2551	11	13	,	,	PUNCT
eurjchem-2551	11	14	and	and	CCONJ
eurjchem-2551	11	15	global	global	ADJ
eurjchem-2551	11	16	chemical	chemical	NOUN
eurjchem-2551	11	17	reactivity	reactivity	NOUN
eurjchem-2551	11	18	parameters	parameter	NOUN
eurjchem-2551	11	19	such	such	ADJ
eurjchem-2551	11	20	as	as	ADP
eurjchem-2551	11	21	ionization	ionization	NOUN
eurjchem-2551	11	22	potential	potential	NOUN
eurjchem-2551	11	23	,	,	PUNCT
eurjchem-2551	11	24	electron	electron	NOUN
eurjchem-2551	11	25	affinity	affinity	NOUN
eurjchem-2551	11	26	,	,	PUNCT
eurjchem-2551	11	27	chemical	chemical	NOUN
eurjchem-2551	11	28	hardness	hardness	NOUN
eurjchem-2551	11	29	,	,	PUNCT
eurjchem-2551	11	30	and	and	CCONJ
eurjchem-2551	11	31	chemical	chemical	NOUN
eurjchem-2551	11	32	softness	softness	NOUN
eurjchem-2551	11	33	have	have	AUX
eurjchem-2551	11	34	been	be	AUX
eurjchem-2551	11	35	calculated	calculate	VERB
eurjchem-2551	11	36	,	,	PUNCT
eurjchem-2551	11	37	and	and	CCONJ
eurjchem-2551	11	38	the	the	DET
eurjchem-2551	11	39	sites	site	NOUN
eurjchem-2551	11	40	of	of	ADP
eurjchem-2551	11	41	electrophilic	electrophilic	ADJ
eurjchem-2551	11	42	and	and	CCONJ
eurjchem-2551	11	43	nucleophilic	nucleophilic	ADJ
eurjchem-2551	11	44	regions	region	NOUN
eurjchem-2551	11	45	where	where	SCONJ
eurjchem-2551	11	46	the	the	DET
eurjchem-2551	11	47	molecular	molecular	ADJ
eurjchem-2551	11	48	interactions	interaction	NOUN
eurjchem-2551	11	49	likely	likely	ADJ
eurjchem-2551	11	50	to	to	PART
eurjchem-2551	11	51	happen	happen	VERB
eurjchem-2551	11	52	are	be	AUX
eurjchem-2551	11	53	identified	identify	VERB
eurjchem-2551	11	54	.	.	PUNCT
eurjchem-2551	12	1	the	the	DET
eurjchem-2551	12	2	molecular	molecular	ADJ
eurjchem-2551	12	3	electrostatic	electrostatic	ADJ
eurjchem-2551	12	4	potential	potential	ADJ
eurjchem-2551	12	5	and	and	CCONJ
eurjchem-2551	12	6	thermodynamic	thermodynamic	ADJ
eurjchem-2551	12	7	properties	property	NOUN
eurjchem-2551	12	8	of	of	ADP
eurjchem-2551	12	9	the	the	DET
eurjchem-2551	12	10	title	title	NOUN
eurjchem-2551	12	11	compounds	compound	NOUN
eurjchem-2551	12	12	were	be	AUX
eurjchem-2551	12	13	investigated	investigate	VERB
eurjchem-2551	12	14	by	by	ADP
eurjchem-2551	12	15	theoretical	theoretical	ADJ
eurjchem-2551	12	16	calculations	calculation	NOUN
eurjchem-2551	12	17	.	.	PUNCT
eurjchem-2551	13	1	single	single	ADJ
eurjchem-2551	13	2	crystal	crystal	NOUN
eurjchem-2551	13	3	structure	structure	NOUN
eurjchem-2551	13	4	homo	homo	NOUN
eurjchem-2551	13	5	and	and	CCONJ
eurjchem-2551	13	6	lumo	lumo	NOUN
eurjchem-2551	13	7	analysis	analysis	NOUN
eurjchem-2551	13	8	x	x	NOUN
eurjchem-2551	13	9	-	-	NOUN
eurjchem-2551	13	10	ray	ray	NOUN
eurjchem-2551	13	11	structure	structure	NOUN
eurjchem-2551	13	12	determination	determination	NOUN
eurjchem-2551	13	13	electronic	electronic	ADJ
eurjchem-2551	13	14	structure	structure	NOUN
eurjchem-2551	13	15	properties	property	NOUN
eurjchem-2551	13	16	molecular	molecular	ADJ
eurjchem-2551	13	17	electrostatic	electrostatic	ADJ
eurjchem-2551	13	18	potential	potential	ADJ
eurjchem-2551	13	19	n	n	CCONJ
eurjchem-2551	13	20	-	-	PUNCT
eurjchem-2551	13	21	benzoyl	benzoyl	VERB
eurjchem-2551	13	22	-	-	PUNCT
eurjchem-2551	13	23	n'-tribromophenylthiourea	n'-tribromophenylthiourea	NOUN
eurjchem-2551	13	24	cite	cite	VERB
eurjchem-2551	13	25	this	this	PRON
eurjchem-2551	13	26	:	:	PUNCT
eurjchem-2551	13	27	eur	eur	PROPN
eurjchem-2551	13	28	.	.	PUNCT
eurjchem-2551	14	1	j.	j.	PROPN
eurjchem-2551	14	2	chem	chem	PROPN
eurjchem-2551	14	3	.	.	PUNCT
eurjchem-2551	15	1	2024	2024	NUM
eurjchem-2551	15	2	,	,	PUNCT
eurjchem-2551	15	3	15(2	15(2	NUM
eurjchem-2551	15	4	)	)	PUNCT
eurjchem-2551	15	5	,	,	PUNCT
eurjchem-2551	15	6	155	155	NUM
eurjchem-2551	15	7	-	-	SYM
eurjchem-2551	15	8	165	165	NUM
eurjchem-2551	15	9	journal	journal	NOUN
eurjchem-2551	15	10	website	website	NOUN
eurjchem-2551	15	11	:	:	PUNCT
eurjchem-2551	15	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2551	15	13	1	1	X
eurjchem-2551	15	14	.	.	X
eurjchem-2551	15	15	introduction	introduction	NOUN
eurjchem-2551	15	16	the	the	DET
eurjchem-2551	15	17	derivatives	derivative	NOUN
eurjchem-2551	15	18	of	of	ADP
eurjchem-2551	15	19	aroyl	aroyl	NOUN
eurjchem-2551	15	20	/	/	SYM
eurjchem-2551	15	21	acylthiourea	acylthiourea	NOUN
eurjchem-2551	15	22	due	due	ADP
eurjchem-2551	15	23	to	to	ADP
eurjchem-2551	15	24	the	the	DET
eurjchem-2551	15	25	heteroatom	heteroatom	NOUN
eurjchem-2551	15	26	content	content	NOUN
eurjchem-2551	15	27	are	be	AUX
eurjchem-2551	15	28	known	know	VERB
eurjchem-2551	15	29	for	for	ADP
eurjchem-2551	15	30	their	their	PRON
eurjchem-2551	15	31	several	several	ADJ
eurjchem-2551	15	32	biological	biological	ADJ
eurjchem-2551	15	33	activities	activity	NOUN
eurjchem-2551	15	34	,	,	PUNCT
eurjchem-2551	15	35	including	include	VERB
eurjchem-2551	15	36	antifungal	antifungal	ADJ
eurjchem-2551	15	37	,	,	PUNCT
eurjchem-2551	15	38	antibacterial	antibacterial	ADJ
eurjchem-2551	15	39	,	,	PUNCT
eurjchem-2551	15	40	antiviral	antiviral	ADJ
eurjchem-2551	15	41	,	,	PUNCT
eurjchem-2551	15	42	insecticidal	insecticidal	NOUN
eurjchem-2551	15	43	,	,	PUNCT
eurjchem-2551	15	44	herbicidal	herbicidal	NOUN
eurjchem-2551	15	45	,	,	PUNCT
eurjchem-2551	15	46	etc	etc	X
eurjchem-2551	15	47	.	.	X
eurjchem-2551	15	48	effects	effect	NOUN
eurjchem-2551	16	1	[	[	X
eurjchem-2551	16	2	1	1	NUM
eurjchem-2551	16	3	-	-	SYM
eurjchem-2551	16	4	5	5	NUM
eurjchem-2551	16	5	]	]	PUNCT
eurjchem-2551	16	6	.	.	PUNCT
eurjchem-2551	17	1	they	they	PRON
eurjchem-2551	17	2	are	be	AUX
eurjchem-2551	17	3	an	an	DET
eurjchem-2551	17	4	important	important	ADJ
eurjchem-2551	17	5	class	class	NOUN
eurjchem-2551	17	6	of	of	ADP
eurjchem-2551	17	7	organic	organic	ADJ
eurjchem-2551	17	8	compounds	compound	NOUN
eurjchem-2551	17	9	having	have	VERB
eurjchem-2551	17	10	o-	o-	X
eurjchem-2551	17	11	,	,	PUNCT
eurjchem-2551	17	12	nand	nand	NOUN
eurjchem-2551	17	13	s	s	NOUN
eurjchem-2551	17	14	-	-	NOUN
eurjchem-2551	17	15	atoms	atom	NOUN
eurjchem-2551	17	16	.	.	PUNCT
eurjchem-2551	18	1	the	the	DET
eurjchem-2551	18	2	amide	amide	NOUN
eurjchem-2551	18	3	,	,	PUNCT
eurjchem-2551	18	4	carbonyl	carbonyl	NOUN
eurjchem-2551	18	5	,	,	PUNCT
eurjchem-2551	18	6	thioamide	thioamide	NOUN
eurjchem-2551	18	7	,	,	PUNCT
eurjchem-2551	18	8	and	and	CCONJ
eurjchem-2551	18	9	thiocarbonyl	thiocarbonyl	ADJ
eurjchem-2551	18	10	groups	group	NOUN
eurjchem-2551	18	11	of	of	ADP
eurjchem-2551	18	12	the	the	DET
eurjchem-2551	18	13	c(o)-nhc(s)-n	c(o)-nhc(s)-n	NOUN
eurjchem-2551	18	14	core	core	NOUN
eurjchem-2551	18	15	fragment	fragment	NOUN
eurjchem-2551	18	16	that	that	PRON
eurjchem-2551	18	17	can	can	AUX
eurjchem-2551	18	18	participate	participate	VERB
eurjchem-2551	18	19	in	in	ADP
eurjchem-2551	18	20	the	the	DET
eurjchem-2551	18	21	tautomer	tautomer	NOUN
eurjchem-2551	18	22	are	be	AUX
eurjchem-2551	18	23	in	in	ADP
eurjchem-2551	18	24	the	the	DET
eurjchem-2551	18	25	same	same	ADJ
eurjchem-2551	18	26	molecule	molecule	NOUN
eurjchem-2551	19	1	[	[	X
eurjchem-2551	19	2	6,7	6,7	NUM
eurjchem-2551	19	3	]	]	PUNCT
eurjchem-2551	19	4	leading	lead	VERB
eurjchem-2551	19	5	to	to	ADP
eurjchem-2551	19	6	physicochemical	physicochemical	ADJ
eurjchem-2551	19	7	and	and	CCONJ
eurjchem-2551	19	8	biological	biological	ADJ
eurjchem-2551	19	9	properties	property	NOUN
eurjchem-2551	19	10	suitable	suitable	ADJ
eurjchem-2551	19	11	for	for	ADP
eurjchem-2551	19	12	application	application	NOUN
eurjchem-2551	19	13	in	in	ADP
eurjchem-2551	19	14	the	the	DET
eurjchem-2551	19	15	field	field	NOUN
eurjchem-2551	19	16	of	of	ADP
eurjchem-2551	19	17	coordination	coordination	NOUN
eurjchem-2551	19	18	chemistry	chemistry	NOUN
eurjchem-2551	19	19	[	[	X
eurjchem-2551	19	20	8	8	NUM
eurjchem-2551	19	21	-	-	SYM
eurjchem-2551	19	22	10	10	NUM
eurjchem-2551	19	23	]	]	PUNCT
eurjchem-2551	19	24	.	.	PUNCT
eurjchem-2551	20	1	in	in	ADP
eurjchem-2551	20	2	addition	addition	NOUN
eurjchem-2551	20	3	,	,	PUNCT
eurjchem-2551	20	4	their	their	PRON
eurjchem-2551	20	5	derivatives	derivative	NOUN
eurjchem-2551	20	6	consist	consist	VERB
eurjchem-2551	20	7	of	of	ADP
eurjchem-2551	20	8	heteroatoms	heteroatom	NOUN
eurjchem-2551	20	9	such	such	ADJ
eurjchem-2551	20	10	as	as	ADP
eurjchem-2551	20	11	nitrogen	nitrogen	NOUN
eurjchem-2551	20	12	and	and	CCONJ
eurjchem-2551	20	13	sulfur	sulfur	NOUN
eurjchem-2551	20	14	,	,	PUNCT
eurjchem-2551	20	15	which	which	PRON
eurjchem-2551	20	16	are	be	AUX
eurjchem-2551	20	17	nucleophilic	nucleophilic	ADJ
eurjchem-2551	20	18	centers	center	NOUN
eurjchem-2551	20	19	,	,	PUNCT
eurjchem-2551	20	20	allowing	allow	VERB
eurjchem-2551	20	21	the	the	DET
eurjchem-2551	20	22	formation	formation	NOUN
eurjchem-2551	20	23	of	of	ADP
eurjchem-2551	20	24	intermolecular	intermolecular	ADJ
eurjchem-2551	20	25	and	and	CCONJ
eurjchem-2551	20	26	intramolecular	intramolecular	ADJ
eurjchem-2551	20	27	hydrogen	hydrogen	NOUN
eurjchem-2551	20	28	bonds	bond	NOUN
eurjchem-2551	20	29	in	in	ADP
eurjchem-2551	20	30	the	the	DET
eurjchem-2551	20	31	crystal	crystal	NOUN
eurjchem-2551	20	32	structure	structure	NOUN
eurjchem-2551	20	33	[	[	X
eurjchem-2551	20	34	11	11	NUM
eurjchem-2551	20	35	-	-	SYM
eurjchem-2551	20	36	13	13	NUM
eurjchem-2551	20	37	]	]	PUNCT
eurjchem-2551	20	38	.	.	PUNCT
eurjchem-2551	21	1	steric	steric	ADJ
eurjchem-2551	21	2	hindrance	hindrance	NOUN
eurjchem-2551	21	3	slows	slow	VERB
eurjchem-2551	21	4	down	down	ADP
eurjchem-2551	21	5	chemical	chemical	ADJ
eurjchem-2551	21	6	reactions	reaction	NOUN
eurjchem-2551	21	7	due	due	ADP
eurjchem-2551	21	8	to	to	ADP
eurjchem-2551	21	9	steric	steric	ADJ
eurjchem-2551	21	10	mass	mass	NOUN
eurjchem-2551	21	11	[	[	X
eurjchem-2551	21	12	14	14	NUM
eurjchem-2551	21	13	]	]	PUNCT
eurjchem-2551	21	14	.	.	PUNCT
eurjchem-2551	22	1	generally	generally	ADV
eurjchem-2551	22	2	,	,	PUNCT
eurjchem-2551	22	3	steric	steric	ADJ
eurjchem-2551	22	4	hindrance	hindrance	NOUN
eurjchem-2551	22	5	gains	gain	VERB
eurjchem-2551	22	6	importance	importance	NOUN
eurjchem-2551	22	7	in	in	ADP
eurjchem-2551	22	8	intermolecular	intermolecular	ADJ
eurjchem-2551	22	9	reactions	reaction	NOUN
eurjchem-2551	22	10	,	,	PUNCT
eurjchem-2551	22	11	but	but	CCONJ
eurjchem-2551	22	12	it	it	PRON
eurjchem-2551	22	13	also	also	ADV
eurjchem-2551	22	14	determines	determine	VERB
eurjchem-2551	22	15	intermolecular	intermolecular	ADJ
eurjchem-2551	22	16	interactions	interaction	NOUN
eurjchem-2551	22	17	in	in	ADP
eurjchem-2551	22	18	the	the	DET
eurjchem-2551	22	19	crystal	crystal	NOUN
eurjchem-2551	22	20	lattice	lattice	PROPN
eurjchem-2551	22	21	structure	structure	NOUN
eurjchem-2551	22	22	[	[	X
eurjchem-2551	22	23	15	15	NUM
eurjchem-2551	22	24	]	]	PUNCT
eurjchem-2551	22	25	.	.	PUNCT
eurjchem-2551	23	1	in	in	ADP
eurjchem-2551	23	2	addition	addition	NOUN
eurjchem-2551	23	3	,	,	PUNCT
eurjchem-2551	23	4	it	it	PRON
eurjchem-2551	23	5	is	be	AUX
eurjchem-2551	23	6	often	often	ADV
eurjchem-2551	23	7	used	use	VERB
eurjchem-2551	23	8	to	to	PART
eurjchem-2551	23	9	control	control	VERB
eurjchem-2551	23	10	selectivity	selectivity	NOUN
eurjchem-2551	23	11	,	,	PUNCT
eurjchem-2551	23	12	such	such	ADJ
eurjchem-2551	23	13	as	as	ADP
eurjchem-2551	23	14	slowing	slow	VERB
eurjchem-2551	23	15	down	down	ADP
eurjchem-2551	23	16	undesired	undesired	ADJ
eurjchem-2551	23	17	side	side	NOUN
eurjchem-2551	23	18	reactions	reaction	NOUN
eurjchem-2551	23	19	[	[	X
eurjchem-2551	23	20	16,17	16,17	NUM
eurjchem-2551	23	21	]	]	PUNCT
eurjchem-2551	23	22	.	.	PUNCT
eurjchem-2551	24	1	in	in	ADP
eurjchem-2551	24	2	the	the	DET
eurjchem-2551	24	3	present	present	ADJ
eurjchem-2551	24	4	work	work	NOUN
eurjchem-2551	24	5	,	,	PUNCT
eurjchem-2551	24	6	two	two	NUM
eurjchem-2551	24	7	novel	novel	ADJ
eurjchem-2551	24	8	compounds	compound	NOUN
eurjchem-2551	24	9	,	,	PUNCT
eurjchem-2551	24	10	n	n	CCONJ
eurjchem-2551	24	11	-	-	PUNCT
eurjchem-2551	24	12	benzoyl	benzoyl	NOUN
eurjchem-2551	24	13	-	-	PUNCT
eurjchem-2551	24	14	n'(2,4,6	n'(2,4,6	NOUN
eurjchem-2551	24	15	-	-	PUNCT
eurjchem-2551	24	16	tribromophenyl)thiourea	tribromophenyl)thiourea	ADV
eurjchem-2551	24	17	(	(	PUNCT
eurjchem-2551	24	18	i	i	NOUN
eurjchem-2551	24	19	)	)	PUNCT
eurjchem-2551	24	20	and	and	CCONJ
eurjchem-2551	24	21	n-4	n-4	NUM
eurjchem-2551	24	22	-	-	PUNCT
eurjchem-2551	24	23	nitrobenzoyl	nitrobenzoyl	NOUN
eurjchem-2551	24	24	-	-	PUNCT
eurjchem-2551	24	25	n	n	CCONJ
eurjchem-2551	24	26	'	'	PUNCT
eurjchem-2551	24	27	(	(	PUNCT
eurjchem-2551	24	28	2,4,6	2,4,6	NUM
eurjchem-2551	24	29	-	-	PUNCT
eurjchem-2551	24	30	tribromophenyl	tribromophenyl	NOUN
eurjchem-2551	24	31	)	)	PUNCT
eurjchem-2551	24	32	thiourea	thiourea	NOUN
eurjchem-2551	24	33	(	(	PUNCT
eurjchem-2551	24	34	ii	ii	NOUN
eurjchem-2551	24	35	)	)	PUNCT
eurjchem-2551	24	36	were	be	AUX
eurjchem-2551	24	37	synthesized	synthesize	VERB
eurjchem-2551	24	38	in	in	ADP
eurjchem-2551	24	39	high	high	ADJ
eurjchem-2551	24	40	yield	yield	NOUN
eurjchem-2551	24	41	,	,	PUNCT
eurjchem-2551	24	42	via	via	ADP
eurjchem-2551	24	43	aroyl	aroyl	ADJ
eurjchem-2551	24	44	isocyanates	isocyanate	NOUN
eurjchem-2551	24	45	and	and	CCONJ
eurjchem-2551	24	46	2,4,6	2,4,6	NUM
eurjchem-2551	24	47	-	-	PUNCT
eurjchem-2551	24	48	tribromoaniline	tribromoaniline	NOUN
eurjchem-2551	24	49	(	(	PUNCT
eurjchem-2551	24	50	scheme	scheme	NOUN
eurjchem-2551	24	51	1	1	NUM
eurjchem-2551	24	52	)	)	PUNCT
eurjchem-2551	24	53	.	.	PUNCT
eurjchem-2551	25	1	the	the	DET
eurjchem-2551	25	2	structural	structural	ADJ
eurjchem-2551	25	3	characterization	characterization	NOUN
eurjchem-2551	25	4	of	of	ADP
eurjchem-2551	25	5	compounds	compound	NOUN
eurjchem-2551	25	6	i	i	PRON
eurjchem-2551	25	7	and	and	CCONJ
eurjchem-2551	25	8	ii	ii	PROPN
eurjchem-2551	25	9	has	have	AUX
eurjchem-2551	25	10	been	be	AUX
eurjchem-2551	25	11	confirmed	confirm	VERB
eurjchem-2551	25	12	using	use	VERB
eurjchem-2551	25	13	ft	ft	PROPN
eurjchem-2551	25	14	-	-	PUNCT
eurjchem-2551	25	15	ir	ir	PROPN
eurjchem-2551	25	16	and	and	CCONJ
eurjchem-2551	25	17	nmr	nmr	NOUN
eurjchem-2551	25	18	spectroscopy	spectroscopy	NOUN
eurjchem-2551	25	19	techniques	technique	NOUN
eurjchem-2551	25	20	and	and	CCONJ
eurjchem-2551	25	21	a	a	DET
eurjchem-2551	25	22	single	single	ADJ
eurjchem-2551	25	23	crystal	crystal	NOUN
eurjchem-2551	25	24	x	x	PROPN
eurjchem-2551	25	25	-	-	NOUN
eurjchem-2551	25	26	ray	ray	NOUN
eurjchem-2551	25	27	diffraction	diffraction	NOUN
eurjchem-2551	25	28	method	method	NOUN
eurjchem-2551	25	29	.	.	PUNCT
eurjchem-2551	26	1	the	the	DET
eurjchem-2551	26	2	unit	unit	NOUN
eurjchem-2551	26	3	cells	cell	NOUN
eurjchem-2551	26	4	of	of	ADP
eurjchem-2551	26	5	the	the	DET
eurjchem-2551	26	6	crystal	crystal	NOUN
eurjchem-2551	26	7	were	be	AUX
eurjchem-2551	26	8	compared	compare	VERB
eurjchem-2551	26	9	with	with	ADP
eurjchem-2551	26	10	similar	similar	ADJ
eurjchem-2551	26	11	molecules	molecule	NOUN
eurjchem-2551	26	12	in	in	ADP
eurjchem-2551	26	13	terms	term	NOUN
eurjchem-2551	26	14	of	of	ADP
eurjchem-2551	26	15	steric	steric	ADJ
eurjchem-2551	26	16	hindrance	hindrance	NOUN
eurjchem-2551	26	17	.	.	PUNCT
eurjchem-2551	27	1	the	the	DET
eurjchem-2551	27	2	geometrical	geometrical	ADJ
eurjchem-2551	27	3	parameters	parameter	NOUN
eurjchem-2551	27	4	of	of	ADP
eurjchem-2551	27	5	the	the	DET
eurjchem-2551	27	6	title	title	NOUN
eurjchem-2551	27	7	compounds	compound	VERB
eurjchem-2551	27	8	in	in	ADP
eurjchem-2551	27	9	the	the	DET
eurjchem-2551	27	10	ground	ground	NOUN
eurjchem-2551	27	11	state	state	NOUN
eurjchem-2551	27	12	have	have	AUX
eurjchem-2551	27	13	been	be	AUX
eurjchem-2551	27	14	calculated	calculate	VERB
eurjchem-2551	27	15	using	use	VERB
eurjchem-2551	27	16	the	the	DET
eurjchem-2551	27	17	density	density	NOUN
eurjchem-2551	27	18	functional	functional	ADJ
eurjchem-2551	27	19	theory	theory	NOUN
eurjchem-2551	27	20	(	(	PUNCT
eurjchem-2551	27	21	dft	dft	NOUN
eurjchem-2551	27	22	)	)	PUNCT
eurjchem-2551	27	23	method	method	NOUN
eurjchem-2551	27	24	with	with	ADP
eurjchem-2551	27	25	the	the	DET
eurjchem-2551	27	26	b3lyp/6311	b3lyp/6311	PROPN
eurjchem-2551	27	27	g	g	NOUN
eurjchem-2551	27	28	(	(	PUNCT
eurjchem-2551	27	29	d	d	PROPN
eurjchem-2551	27	30	,	,	PUNCT
eurjchem-2551	27	31	p	p	NOUN
eurjchem-2551	27	32	)	)	PUNCT
eurjchem-2551	27	33	basis	basis	NOUN
eurjchem-2551	27	34	set	set	NOUN
eurjchem-2551	27	35	and	and	CCONJ
eurjchem-2551	27	36	the	the	DET
eurjchem-2551	27	37	experimental	experimental	ADJ
eurjchem-2551	27	38	data	datum	NOUN
eurjchem-2551	27	39	were	be	AUX
eurjchem-2551	27	40	compared	compare	VERB
eurjchem-2551	27	41	.	.	PUNCT
eurjchem-2551	28	1	after	after	ADP
eurjchem-2551	28	2	optimization	optimization	NOUN
eurjchem-2551	28	3	of	of	ADP
eurjchem-2551	28	4	molecular	molecular	ADJ
eurjchem-2551	28	5	geometry	geometry	NOUN
eurjchem-2551	28	6	,	,	PUNCT
eurjchem-2551	28	7	the	the	DET
eurjchem-2551	28	8	molecular	molecular	ADJ
eurjchem-2551	28	9	electrostatic	electrostatic	ADJ
eurjchem-2551	28	10	potential	potential	NOUN
eurjchem-2551	28	11	(	(	PUNCT
eurjchem-2551	28	12	mep	mep	PROPN
eurjchem-2551	28	13	)	)	PUNCT
eurjchem-2551	28	14	map	map	NOUN
eurjchem-2551	28	15	,	,	PUNCT
eurjchem-2551	28	16	the	the	DET
eurjchem-2551	28	17	highest	high	ADJ
eurjchem-2551	28	18	occupied	occupy	VERB
eurjchem-2551	28	19	molecular	molecular	ADJ
eurjchem-2551	28	20	orbital	orbital	ADJ
eurjchem-2551	28	21	(	(	PUNCT
eurjchem-2551	28	22	homo	homo	NOUN
eurjchem-2551	28	23	)	)	PUNCT
eurjchem-2551	28	24	and	and	CCONJ
eurjchem-2551	28	25	the	the	DET
eurjchem-2551	28	26	lowest	low	ADJ
eurjchem-2551	28	27	unoccupied	unoccupied	ADJ
eurjchem-2551	28	28	molecular	molecular	ADJ
eurjchem-2551	28	29	orbital	orbital	ADJ
eurjchem-2551	28	30	(	(	PUNCT
eurjchem-2551	28	31	lumo	lumo	NOUN
eurjchem-2551	28	32	)	)	PUNCT
eurjchem-2551	28	33	analyzes	analyze	NOUN
eurjchem-2551	28	34	,	,	PUNCT
eurjchem-2551	28	35	and	and	CCONJ
eurjchem-2551	28	36	thermodynamic	thermodynamic	ADJ
eurjchem-2551	28	37	properties	property	NOUN
eurjchem-2551	28	38	were	be	AUX
eurjchem-2551	28	39	calculated	calculate	VERB
eurjchem-2551	28	40	by	by	ADP
eurjchem-2551	28	41	using	use	VERB
eurjchem-2551	28	42	density	density	NOUN
eurjchem-2551	28	43	functional	functional	ADJ
eurjchem-2551	28	44	theory	theory	NOUN
eurjchem-2551	28	45	(	(	PUNCT
eurjchem-2551	28	46	dft	dft	NOUN
eurjchem-2551	28	47	)	)	PUNCT
eurjchem-2551	28	48	at	at	ADP
eurjchem-2551	28	49	the	the	DET
eurjchem-2551	28	50	b3lyp/6	b3lyp/6	NOUN
eurjchem-2551	28	51	-	-	NOUN
eurjchem-2551	28	52	311g(d	311g(d	NUM
eurjchem-2551	28	53	,	,	PUNCT
eurjchem-2551	28	54	p	p	NOUN
eurjchem-2551	28	55	)	)	PUNCT
eurjchem-2551	28	56	level	level	NOUN
eurjchem-2551	28	57	.	.	PUNCT
eurjchem-2551	29	1	2	2	X
eurjchem-2551	29	2	.	.	X
eurjchem-2551	29	3	experimental	experimental	ADJ
eurjchem-2551	29	4	2.1	2.1	NUM
eurjchem-2551	29	5	.	.	PUNCT
eurjchem-2551	29	6	material	material	NOUN
eurjchem-2551	29	7	and	and	CCONJ
eurjchem-2551	29	8	measurements	measurement	NOUN
eurjchem-2551	29	9	all	all	DET
eurjchem-2551	29	10	reagents	reagent	NOUN
eurjchem-2551	29	11	(	(	PUNCT
eurjchem-2551	29	12	except	except	SCONJ
eurjchem-2551	29	13	2,4,6	2,4,6	NUM
eurjchem-2551	29	14	-	-	PUNCT
eurjchem-2551	29	15	tribromoaniline	tribromoaniline	NOUN
eurjchem-2551	29	16	)	)	PUNCT
eurjchem-2551	29	17	and	and	CCONJ
eurjchem-2551	29	18	solvents	solvent	NOUN
eurjchem-2551	29	19	used	use	VERB
eurjchem-2551	29	20	in	in	ADP
eurjchem-2551	29	21	the	the	DET
eurjchem-2551	29	22	synthesis	synthesis	NOUN
eurjchem-2551	29	23	were	be	AUX
eurjchem-2551	29	24	commercially	commercially	ADV
eurjchem-2551	29	25	purchased	purchase	VERB
eurjchem-2551	29	26	from	from	ADP
eurjchem-2551	29	27	sigma	sigma	PROPN
eurjchem-2551	29	28	-	-	PUNCT
eurjchem-2551	29	29	aldrich	aldrich	PROPN
eurjchem-2551	29	30	,	,	PUNCT
eurjchem-2551	29	31	merck	merck	PROPN
eurjchem-2551	29	32	chemical	chemical	PROPN
eurjchem-2551	29	33	.	.	PUNCT
eurjchem-2551	30	1	abstract	abstract	ADJ
eurjchem-2551	30	2	research	research	NOUN
eurjchem-2551	30	3	article	article	NOUN
eurjchem-2551	30	4	keywords	keyword	VERB
eurjchem-2551	30	5	https://dx.doi.org/10.5155/eurjchem.15.2.155-165.2551	https://dx.doi.org/10.5155/eurjchem.15.2.155-165.2551	PRON
eurjchem-2551	30	6	https://www.eurjchem.com/	https://www.eurjchem.com/	NOUN
eurjchem-2551	30	7	https://dx.doi.org/10.5155/eurjchem.15.2.155-165.2551	https://dx.doi.org/10.5155/eurjchem.15.2.155-165.2551	PROPN
eurjchem-2551	30	8	mailto:faydin@comu.edu.tr	mailto:faydin@comu.edu.tr	PROPN
eurjchem-2551	30	9	http://www.eurjchem.com/	http://www.eurjchem.com/	NOUN
eurjchem-2551	30	10	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.15.2.155-165.2551&domain=pdf&date_stamp=2024-06-30	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.15.2.155-165.2551&domain=pdf&date_stamp=2024-06-30	PROPN
eurjchem-2551	30	11	156	156	NUM
eurjchem-2551	30	12	arslan	arslan	NOUN
eurjchem-2551	30	13	and	and	CCONJ
eurjchem-2551	30	14	aydin	aydin	PROPN
eurjchem-2551	30	15	/	/	SYM
eurjchem-2551	30	16	european	european	ADJ
eurjchem-2551	30	17	journal	journal	PROPN
eurjchem-2551	30	18	of	of	ADP
eurjchem-2551	30	19	chemistry	chemistry	NOUN
eurjchem-2551	30	20	15	15	NUM
eurjchem-2551	30	21	(	(	PUNCT
eurjchem-2551	30	22	2	2	NUM
eurjchem-2551	30	23	)	)	PUNCT
eurjchem-2551	30	24	(	(	PUNCT
eurjchem-2551	30	25	2024	2024	NUM
eurjchem-2551	30	26	)	)	PUNCT
eurjchem-2551	30	27	155	155	NUM
eurjchem-2551	30	28	-	-	SYM
eurjchem-2551	30	29	165	165	NUM
eurjchem-2551	30	30	2024	2024	NUM
eurjchem-2551	30	31	–	–	PUNCT
eurjchem-2551	30	32	european	european	ADJ
eurjchem-2551	30	33	journal	journal	NOUN
eurjchem-2551	30	34	of	of	ADP
eurjchem-2551	30	35	chemistry	chemistry	NOUN
eurjchem-2551	30	36	–	–	PUNCT
eurjchem-2551	30	37	cc	cc	NOUN
eurjchem-2551	30	38	by	by	ADP
eurjchem-2551	30	39	nc	nc	PROPN
eurjchem-2551	30	40	–	–	PUNCT
eurjchem-2551	30	41	doi	doi	PROPN
eurjchem-2551	30	42	:	:	PUNCT
eurjchem-2551	30	43	10.5155	10.5155	NUM
eurjchem-2551	30	44	/	/	SYM
eurjchem-2551	30	45	eurjchem.15.2.155	eurjchem.15.2.155	NOUN
eurjchem-2551	30	46	-	-	SYM
eurjchem-2551	30	47	165.2551	165.2551	NUM
eurjchem-2551	30	48	scheme	scheme	NOUN
eurjchem-2551	30	49	1	1	NUM
eurjchem-2551	30	50	.	.	PUNCT
eurjchem-2551	30	51	synthesis	synthesis	NOUN
eurjchem-2551	30	52	pathway	pathway	NOUN
eurjchem-2551	30	53	of	of	ADP
eurjchem-2551	30	54	compounds	compound	NOUN
eurjchem-2551	30	55	i	i	PRON
eurjchem-2551	30	56	and	and	CCONJ
eurjchem-2551	30	57	ii	ii	PROPN
eurjchem-2551	30	58	.	.	PROPN
eurjchem-2551	30	59	figure	figure	NOUN
eurjchem-2551	30	60	1	1	NUM
eurjchem-2551	30	61	.	.	PUNCT
eurjchem-2551	31	1	a	a	DET
eurjchem-2551	31	2	view	view	NOUN
eurjchem-2551	31	3	of	of	ADP
eurjchem-2551	31	4	compound	compound	NOUN
eurjchem-2551	31	5	i	i	PRON
eurjchem-2551	31	6	with	with	ADP
eurjchem-2551	31	7	the	the	DET
eurjchem-2551	31	8	atom	atom	NOUN
eurjchem-2551	31	9	-	-	PUNCT
eurjchem-2551	31	10	numbering	number	VERB
eurjchem-2551	31	11	scheme	scheme	NOUN
eurjchem-2551	31	12	.	.	PUNCT
eurjchem-2551	32	1	displacement	displacement	ADJ
eurjchem-2551	32	2	ellipsoids	ellipsoid	NOUN
eurjchem-2551	32	3	are	be	AUX
eurjchem-2551	32	4	drawn	draw	VERB
eurjchem-2551	32	5	at	at	ADP
eurjchem-2551	32	6	the	the	DET
eurjchem-2551	32	7	30	30	NUM
eurjchem-2551	32	8	%	%	NOUN
eurjchem-2551	32	9	probability	probability	NOUN
eurjchem-2551	32	10	level	level	NOUN
eurjchem-2551	32	11	,	,	PUNCT
eurjchem-2551	32	12	and	and	CCONJ
eurjchem-2551	32	13	h	h	NOUN
eurjchem-2551	32	14	atoms	atom	NOUN
eurjchem-2551	32	15	are	be	AUX
eurjchem-2551	32	16	shown	show	VERB
eurjchem-2551	32	17	as	as	ADP
eurjchem-2551	32	18	small	small	ADJ
eurjchem-2551	32	19	spheres	sphere	NOUN
eurjchem-2551	32	20	of	of	ADP
eurjchem-2551	32	21	arbitrary	arbitrary	ADJ
eurjchem-2551	32	22	radii	radius	NOUN
eurjchem-2551	32	23	.	.	PUNCT
eurjchem-2551	33	1	figure	figure	NOUN
eurjchem-2551	33	2	2	2	NUM
eurjchem-2551	33	3	.	.	PUNCT
eurjchem-2551	34	1	a	a	DET
eurjchem-2551	34	2	view	view	NOUN
eurjchem-2551	34	3	of	of	ADP
eurjchem-2551	34	4	compound	compound	NOUN
eurjchem-2551	34	5	ii	ii	PROPN
eurjchem-2551	34	6	,	,	PUNCT
eurjchem-2551	34	7	showing	show	VERB
eurjchem-2551	34	8	the	the	DET
eurjchem-2551	34	9	atom	atom	NOUN
eurjchem-2551	34	10	-	-	PUNCT
eurjchem-2551	34	11	numbering	number	VERB
eurjchem-2551	34	12	scheme	scheme	NOUN
eurjchem-2551	34	13	.	.	PUNCT
eurjchem-2551	35	1	displacement	displacement	ADJ
eurjchem-2551	35	2	ellipsoids	ellipsoid	NOUN
eurjchem-2551	35	3	are	be	AUX
eurjchem-2551	35	4	drawn	draw	VERB
eurjchem-2551	35	5	at	at	ADP
eurjchem-2551	35	6	the	the	DET
eurjchem-2551	35	7	30	30	NUM
eurjchem-2551	35	8	%	%	NOUN
eurjchem-2551	35	9	probability	probability	NOUN
eurjchem-2551	35	10	level	level	NOUN
eurjchem-2551	35	11	,	,	PUNCT
eurjchem-2551	35	12	and	and	CCONJ
eurjchem-2551	35	13	h	h	NOUN
eurjchem-2551	35	14	atoms	atom	NOUN
eurjchem-2551	35	15	are	be	AUX
eurjchem-2551	35	16	shown	show	VERB
eurjchem-2551	35	17	as	as	ADP
eurjchem-2551	35	18	small	small	ADJ
eurjchem-2551	35	19	spheres	sphere	NOUN
eurjchem-2551	35	20	of	of	ADP
eurjchem-2551	35	21	arbitrary	arbitrary	ADJ
eurjchem-2551	35	22	radii	radius	NOUN
eurjchem-2551	35	23	.	.	PUNCT
eurjchem-2551	36	1	the	the	DET
eurjchem-2551	36	2	melting	melting	NOUN
eurjchem-2551	36	3	points	point	NOUN
eurjchem-2551	36	4	were	be	AUX
eurjchem-2551	36	5	determined	determine	VERB
eurjchem-2551	36	6	in	in	ADP
eurjchem-2551	36	7	open	open	ADJ
eurjchem-2551	36	8	capillary	capillary	ADJ
eurjchem-2551	36	9	tubes	tube	NOUN
eurjchem-2551	36	10	using	use	VERB
eurjchem-2551	36	11	an	an	DET
eurjchem-2551	36	12	ia	ia	PROPN
eurjchem-2551	36	13	9100	9100	NUM
eurjchem-2551	36	14	electrothermal	electrothermal	ADJ
eurjchem-2551	36	15	apparatus	apparatus	NOUN
eurjchem-2551	36	16	.	.	PUNCT
eurjchem-2551	37	1	reactions	reaction	NOUN
eurjchem-2551	37	2	were	be	AUX
eurjchem-2551	37	3	monitored	monitor	VERB
eurjchem-2551	37	4	by	by	ADP
eurjchem-2551	37	5	thin	thin	ADJ
eurjchem-2551	37	6	layer	layer	NOUN
eurjchem-2551	37	7	chromatography	chromatography	NOUN
eurjchem-2551	37	8	(	(	PUNCT
eurjchem-2551	37	9	tlc	tlc	NOUN
eurjchem-2551	37	10	)	)	PUNCT
eurjchem-2551	37	11	on	on	ADP
eurjchem-2551	37	12	silica	silica	NOUN
eurjchem-2551	37	13	gel	gel	NOUN
eurjchem-2551	37	14	60f254	60f254	NOUN
eurjchem-2551	37	15	plates	plate	NOUN
eurjchem-2551	37	16	(	(	PUNCT
eurjchem-2551	37	17	merck	merck	NOUN
eurjchem-2551	37	18	)	)	PUNCT
eurjchem-2551	37	19	.	.	PUNCT
eurjchem-2551	38	1	the	the	DET
eurjchem-2551	38	2	infrared	infrared	NOUN
eurjchem-2551	38	3	(	(	PUNCT
eurjchem-2551	38	4	ft	ft	PROPN
eurjchem-2551	38	5	-	-	PUNCT
eurjchem-2551	38	6	ir	ir	NOUN
eurjchem-2551	38	7	)	)	PUNCT
eurjchem-2551	38	8	spectrums	spectrum	NOUN
eurjchem-2551	38	9	were	be	AUX
eurjchem-2551	38	10	recorded	record	VERB
eurjchem-2551	38	11	on	on	ADP
eurjchem-2551	38	12	the	the	DET
eurjchem-2551	38	13	perkinelmer	perkinelmer	NOUN
eurjchem-2551	38	14	spectrum	spectrum	VERB
eurjchem-2551	38	15	100	100	NUM
eurjchem-2551	38	16	ft	ft	PROPN
eurjchem-2551	38	17	-	-	PUNCT
eurjchem-2551	38	18	ir	ir	NOUN
eurjchem-2551	38	19	spectrometer	spectrometer	NOUN
eurjchem-2551	38	20	in	in	ADP
eurjchem-2551	38	21	a	a	DET
eurjchem-2551	38	22	spectral	spectral	ADJ
eurjchem-2551	38	23	range	range	NOUN
eurjchem-2551	38	24	of	of	ADP
eurjchem-2551	38	25	4000	4000	NUM
eurjchem-2551	38	26	-	-	SYM
eurjchem-2551	38	27	650	650	NUM
eurjchem-2551	38	28	cm-1	cm-1	NOUN
eurjchem-2551	38	29	.	.	PUNCT
eurjchem-2551	39	1	the	the	DET
eurjchem-2551	39	2	1h	1h	NUM
eurjchem-2551	39	3	nmr	nmr	NOUN
eurjchem-2551	39	4	and	and	CCONJ
eurjchem-2551	39	5	13c	13c	NOUN
eurjchem-2551	39	6	nmr	nmr	NOUN
eurjchem-2551	39	7	spectra	spectra	NOUN
eurjchem-2551	39	8	were	be	AUX
eurjchem-2551	39	9	recorded	record	VERB
eurjchem-2551	39	10	on	on	ADP
eurjchem-2551	39	11	a	a	DET
eurjchem-2551	39	12	jeol	jeol	PROPN
eurjchem-2551	39	13	ecx-400	ecx-400	NOUN
eurjchem-2551	39	14	ft	ft	PROPN
eurjchem-2551	39	15	-	-	PUNCT
eurjchem-2551	39	16	nmr	nmr	NOUN
eurjchem-2551	39	17	spectrometer	spectrometer	NOUN
eurjchem-2551	39	18	operating	operate	VERB
eurjchem-2551	39	19	at	at	ADP
eurjchem-2551	39	20	400	400	NUM
eurjchem-2551	39	21	and	and	CCONJ
eurjchem-2551	39	22	100	100	NUM
eurjchem-2551	39	23	mhz	mhz	NOUN
eurjchem-2551	39	24	,	,	PUNCT
eurjchem-2551	39	25	respectively	respectively	ADV
eurjchem-2551	39	26	,	,	PUNCT
eurjchem-2551	39	27	using	use	VERB
eurjchem-2551	39	28	dmso	dmso	NOUN
eurjchem-2551	39	29	-	-	PUNCT
eurjchem-2551	39	30	d6	d6	NOUN
eurjchem-2551	39	31	as	as	ADP
eurjchem-2551	39	32	a	a	DET
eurjchem-2551	39	33	solvent	solvent	NOUN
eurjchem-2551	39	34	.	.	PUNCT
eurjchem-2551	40	1	crystal	crystal	NOUN
eurjchem-2551	40	2	structure	structure	NOUN
eurjchem-2551	40	3	analyzes	analyze	NOUN
eurjchem-2551	40	4	of	of	ADP
eurjchem-2551	40	5	the	the	DET
eurjchem-2551	40	6	title	title	NOUN
eurjchem-2551	40	7	compounds	compound	NOUN
eurjchem-2551	40	8	were	be	AUX
eurjchem-2551	40	9	carried	carry	VERB
eurjchem-2551	40	10	out	out	ADP
eurjchem-2551	40	11	using	use	VERB
eurjchem-2551	40	12	a	a	DET
eurjchem-2551	40	13	bruker	bruker	NOUN
eurjchem-2551	40	14	apex	apex	PROPN
eurjchem-2551	40	15	-	-	PUNCT
eurjchem-2551	40	16	ii	ii	PROPN
eurjchem-2551	40	17	ccd	ccd	PROPN
eurjchem-2551	40	18	x	x	NOUN
eurjchem-2551	40	19	-	-	NOUN
eurjchem-2551	40	20	ray	ray	NOUN
eurjchem-2551	40	21	diffractometer	diffractometer	NOUN
eurjchem-2551	40	22	(	(	PUNCT
eurjchem-2551	40	23	mokα	mokα	ADJ
eurjchem-2551	40	24	radiation	radiation	NOUN
eurjchem-2551	40	25	,	,	PUNCT
eurjchem-2551	40	26	λ	λ	PROPN
eurjchem-2551	40	27	=	=	SYM
eurjchem-2551	40	28	0.71073	0.71073	NUM
eurjchem-2551	40	29	å	å	NOUN
eurjchem-2551	40	30	)	)	PUNCT
eurjchem-2551	40	31	.	.	PUNCT
eurjchem-2551	41	1	2.2	2.2	NUM
eurjchem-2551	41	2	.	.	PUNCT
eurjchem-2551	41	3	synthesis	synthesis	NOUN
eurjchem-2551	41	4	and	and	CCONJ
eurjchem-2551	41	5	characterization	characterization	NOUN
eurjchem-2551	41	6	2,4,6	2,4,6	NUM
eurjchem-2551	41	7	-	-	PUNCT
eurjchem-2551	41	8	tribromoaniline	tribromoaniline	NOUN
eurjchem-2551	41	9	was	be	AUX
eurjchem-2551	41	10	synthesized	synthesize	VERB
eurjchem-2551	41	11	in	in	ADP
eurjchem-2551	41	12	the	the	DET
eurjchem-2551	41	13	literature	literature	NOUN
eurjchem-2551	41	14	[	[	X
eurjchem-2551	41	15	15	15	NUM
eurjchem-2551	41	16	]	]	PUNCT
eurjchem-2551	41	17	.	.	PUNCT
eurjchem-2551	42	1	a	a	DET
eurjchem-2551	42	2	solution	solution	NOUN
eurjchem-2551	42	3	of	of	ADP
eurjchem-2551	42	4	aroyl	aroyl	ADJ
eurjchem-2551	42	5	chloride	chloride	NOUN
eurjchem-2551	42	6	(	(	PUNCT
eurjchem-2551	42	7	benzoyland	benzoyland	ADJ
eurjchem-2551	42	8	4	4	NUM
eurjchem-2551	42	9	-	-	PUNCT
eurjchem-2551	42	10	nitrobenzoyl	nitrobenzoyl	ADJ
eurjchem-2551	42	11	,	,	PUNCT
eurjchem-2551	42	12	2.32	2.32	NUM
eurjchem-2551	42	13	ml	ml	NOUN
eurjchem-2551	42	14	and	and	CCONJ
eurjchem-2551	42	15	3.70	3.70	NUM
eurjchem-2551	42	16	g	g	NOUN
eurjchem-2551	42	17	,	,	PUNCT
eurjchem-2551	42	18	20	20	NUM
eurjchem-2551	42	19	mmol	mmol	NOUN
eurjchem-2551	42	20	,	,	PUNCT
eurjchem-2551	42	21	respectively	respectively	ADV
eurjchem-2551	42	22	)	)	PUNCT
eurjchem-2551	42	23	in	in	ADP
eurjchem-2551	42	24	dry	dry	ADJ
eurjchem-2551	42	25	acetone	acetone	NOUN
eurjchem-2551	42	26	(	(	PUNCT
eurjchem-2551	42	27	20	20	NUM
eurjchem-2551	42	28	ml	ml	NOUN
eurjchem-2551	42	29	)	)	PUNCT
eurjchem-2551	42	30	was	be	AUX
eurjchem-2551	42	31	added	add	VERB
eurjchem-2551	42	32	dropwise	dropwise	NOUN
eurjchem-2551	42	33	to	to	ADP
eurjchem-2551	42	34	a	a	DET
eurjchem-2551	42	35	round	round	ADJ
eurjchem-2551	42	36	bottom	bottom	ADJ
eurjchem-2551	42	37	three	three	NUM
eurjchem-2551	42	38	-	-	PUNCT
eurjchem-2551	42	39	neck	neck	NOUN
eurjchem-2551	42	40	flask	flask	NOUN
eurjchem-2551	42	41	containing	contain	VERB
eurjchem-2551	42	42	potassium	potassium	NOUN
eurjchem-2551	42	43	thiocyanate	thiocyanate	NOUN
eurjchem-2551	42	44	solution	solution	NOUN
eurjchem-2551	42	45	in	in	ADP
eurjchem-2551	42	46	acetone	acetone	NOUN
eurjchem-2551	42	47	(	(	PUNCT
eurjchem-2551	42	48	10	10	NUM
eurjchem-2551	42	49	ml	ml	NOUN
eurjchem-2551	42	50	)	)	PUNCT
eurjchem-2551	42	51	(	(	PUNCT
eurjchem-2551	42	52	1.94	1.94	NUM
eurjchem-2551	42	53	g	g	NOUN
eurjchem-2551	42	54	,	,	PUNCT
eurjchem-2551	42	55	20	20	NUM
eurjchem-2551	42	56	mmol	mmol	NOUN
eurjchem-2551	42	57	)	)	PUNCT
eurjchem-2551	42	58	.	.	PUNCT
eurjchem-2551	43	1	the	the	DET
eurjchem-2551	43	2	mixtures	mixture	NOUN
eurjchem-2551	43	3	were	be	AUX
eurjchem-2551	43	4	refluxed	refluxe	VERB
eurjchem-2551	43	5	for	for	ADP
eurjchem-2551	43	6	approximately	approximately	ADV
eurjchem-2551	43	7	1	1	NUM
eurjchem-2551	43	8	hour	hour	NOUN
eurjchem-2551	43	9	and	and	CCONJ
eurjchem-2551	43	10	then	then	ADV
eurjchem-2551	43	11	cooled	cool	VERB
eurjchem-2551	43	12	to	to	ADP
eurjchem-2551	43	13	room	room	NOUN
eurjchem-2551	43	14	temperature	temperature	NOUN
eurjchem-2551	43	15	.	.	PUNCT
eurjchem-2551	44	1	then	then	ADV
eurjchem-2551	44	2	,	,	PUNCT
eurjchem-2551	44	3	a	a	DET
eurjchem-2551	44	4	solution	solution	NOUN
eurjchem-2551	44	5	of	of	ADP
eurjchem-2551	44	6	2,4,6	2,4,6	NUM
eurjchem-2551	44	7	-	-	PUNCT
eurjchem-2551	44	8	tribromoaniline	tribromoaniline	NOUN
eurjchem-2551	44	9	(	(	PUNCT
eurjchem-2551	44	10	0.652	0.652	NUM
eurjchem-2551	44	11	g	g	NOUN
eurjchem-2551	44	12	,	,	PUNCT
eurjchem-2551	44	13	20	20	NUM
eurjchem-2551	44	14	mmol	mmol	NOUN
eurjchem-2551	44	15	)	)	PUNCT
eurjchem-2551	44	16	in	in	ADP
eurjchem-2551	44	17	dry	dry	ADJ
eurjchem-2551	44	18	acetone	acetone	NOUN
eurjchem-2551	44	19	(	(	PUNCT
eurjchem-2551	44	20	20	20	NUM
eurjchem-2551	44	21	ml	ml	NOUN
eurjchem-2551	44	22	)	)	PUNCT
eurjchem-2551	44	23	was	be	AUX
eurjchem-2551	44	24	added	add	VERB
eurjchem-2551	44	25	dropwise	dropwise	NOUN
eurjchem-2551	44	26	over	over	ADP
eurjchem-2551	44	27	0.5	0.5	NUM
eurjchem-2551	44	28	h	h	NOUN
eurjchem-2551	44	29	,	,	PUNCT
eurjchem-2551	44	30	without	without	ADP
eurjchem-2551	44	31	filtration	filtration	NOUN
eurjchem-2551	44	32	obtained	obtain	VERB
eurjchem-2551	44	33	white	white	ADJ
eurjchem-2551	44	34	benzoyl	benzoyl	PROPN
eurjchem-2551	44	35	isothiocyanate	isothiocyanate	NOUN
eurjchem-2551	44	36	and	and	CCONJ
eurjchem-2551	44	37	pale	pale	ADJ
eurjchem-2551	44	38	yellow	yellow	ADJ
eurjchem-2551	44	39	4	4	NUM
eurjchem-2551	44	40	-	-	PUNCT
eurjchem-2551	44	41	nitrobenzoyl	nitrobenzoyl	ADJ
eurjchem-2551	44	42	isothiocyanate	isothiocyanate	NOUN
eurjchem-2551	44	43	,	,	PUNCT
eurjchem-2551	44	44	and	and	CCONJ
eurjchem-2551	44	45	the	the	DET
eurjchem-2551	44	46	mixture	mixture	NOUN
eurjchem-2551	44	47	was	be	AUX
eurjchem-2551	44	48	stirred	stir	VERB
eurjchem-2551	44	49	for	for	ADP
eurjchem-2551	44	50	2	2	NUM
eurjchem-2551	44	51	and	and	CCONJ
eurjchem-2551	44	52	3	3	NUM
eurjchem-2551	44	53	h	h	NOUN
eurjchem-2551	44	54	,	,	PUNCT
eurjchem-2551	44	55	respectively	respectively	ADV
eurjchem-2551	44	56	.	.	PUNCT
eurjchem-2551	45	1	the	the	DET
eurjchem-2551	45	2	resulting	result	VERB
eurjchem-2551	45	3	mixture	mixture	NOUN
eurjchem-2551	45	4	was	be	AUX
eurjchem-2551	45	5	pushed	push	VERB
eurjchem-2551	45	6	into	into	ADP
eurjchem-2551	45	7	100	100	NUM
eurjchem-2551	45	8	ml	ml	NOUN
eurjchem-2551	45	9	of	of	ADP
eurjchem-2551	45	10	water	water	NOUN
eurjchem-2551	45	11	and	and	CCONJ
eurjchem-2551	45	12	filtered	filter	VERB
eurjchem-2551	45	13	,	,	PUNCT
eurjchem-2551	45	14	washed	wash	VERB
eurjchem-2551	45	15	with	with	ADP
eurjchem-2551	45	16	hot	hot	ADJ
eurjchem-2551	45	17	water	water	NOUN
eurjchem-2551	45	18	to	to	PART
eurjchem-2551	45	19	remove	remove	VERB
eurjchem-2551	45	20	inorganic	inorganic	ADJ
eurjchem-2551	45	21	salts	salt	NOUN
eurjchem-2551	45	22	,	,	PUNCT
eurjchem-2551	45	23	and	and	CCONJ
eurjchem-2551	45	24	dried	dry	VERB
eurjchem-2551	45	25	under	under	ADP
eurjchem-2551	45	26	vacuum	vacuum	NOUN
eurjchem-2551	45	27	.	.	PUNCT
eurjchem-2551	46	1	subsequently	subsequently	ADV
eurjchem-2551	46	2	,	,	PUNCT
eurjchem-2551	46	3	the	the	DET
eurjchem-2551	46	4	raw	raw	ADJ
eurjchem-2551	46	5	product	product	NOUN
eurjchem-2551	46	6	was	be	AUX
eurjchem-2551	46	7	chromatographed	chromatographe	VERB
eurjchem-2551	46	8	on	on	ADP
eurjchem-2551	46	9	silica	silica	NOUN
eurjchem-2551	46	10	gel	gel	NOUN
eurjchem-2551	46	11	using	use	VERB
eurjchem-2551	46	12	ethyl	ethyl	PROPN
eurjchem-2551	46	13	acetate	acetate	NOUN
eurjchem-2551	46	14	:	:	PUNCT
eurjchem-2551	46	15	hexane	hexane	NOUN
eurjchem-2551	46	16	(	(	PUNCT
eurjchem-2551	46	17	4:1	4:1	NUM
eurjchem-2551	46	18	,	,	PUNCT
eurjchem-2551	46	19	v	v	NOUN
eurjchem-2551	46	20	:	:	PUNCT
eurjchem-2551	46	21	v	v	NOUN
eurjchem-2551	46	22	)	)	PUNCT
eurjchem-2551	46	23	as	as	ADP
eurjchem-2551	46	24	an	an	DET
eurjchem-2551	46	25	eluent	eluent	NOUN
eurjchem-2551	46	26	to	to	PART
eurjchem-2551	46	27	separate	separate	VERB
eurjchem-2551	46	28	the	the	DET
eurjchem-2551	46	29	product	product	NOUN
eurjchem-2551	46	30	.	.	PUNCT
eurjchem-2551	47	1	after	after	ADP
eurjchem-2551	47	2	evaporation	evaporation	NOUN
eurjchem-2551	47	3	of	of	ADP
eurjchem-2551	47	4	the	the	DET
eurjchem-2551	47	5	solvent	solvent	NOUN
eurjchem-2551	47	6	,	,	PUNCT
eurjchem-2551	47	7	the	the	DET
eurjchem-2551	47	8	fairly	fairly	ADV
eurjchem-2551	47	9	pure	pure	ADJ
eurjchem-2551	47	10	,	,	PUNCT
eurjchem-2551	47	11	colorless	colorless	ADJ
eurjchem-2551	47	12	(	(	PUNCT
eurjchem-2551	47	13	i	i	NOUN
eurjchem-2551	47	14	)	)	PUNCT
eurjchem-2551	47	15	and	and	CCONJ
eurjchem-2551	47	16	pale	pale	ADJ
eurjchem-2551	47	17	-	-	PUNCT
eurjchem-2551	47	18	yellow	yellow	ADJ
eurjchem-2551	47	19	(	(	PUNCT
eurjchem-2551	47	20	ii	ii	NOUN
eurjchem-2551	47	21	)	)	PUNCT
eurjchem-2551	47	22	products	product	NOUN
eurjchem-2551	47	23	were	be	AUX
eurjchem-2551	47	24	crystallized	crystallize	VERB
eurjchem-2551	47	25	,	,	PUNCT
eurjchem-2551	47	26	respectively	respectively	ADV
eurjchem-2551	47	27	(	(	PUNCT
eurjchem-2551	47	28	scheme	scheme	NOUN
eurjchem-2551	47	29	1	1	NUM
eurjchem-2551	47	30	)	)	PUNCT
eurjchem-2551	47	31	.	.	PUNCT
eurjchem-2551	48	1	n	n	CCONJ
eurjchem-2551	48	2	-	-	PUNCT
eurjchem-2551	48	3	benzoyl	benzoyl	NOUN
eurjchem-2551	48	4	-	-	PUNCT
eurjchem-2551	48	5	n׳-(2,4,6	n׳-(2,4,6	NOUN
eurjchem-2551	48	6	-	-	PUNCT
eurjchem-2551	48	7	tribromophenyl)thiourea	tribromophenyl)thiourea	ADV
eurjchem-2551	48	8	(	(	PUNCT
eurjchem-2551	48	9	i	i	NOUN
eurjchem-2551	48	10	):	):	PUNCT
eurjchem-2551	48	11	color	color	NOUN
eurjchem-2551	48	12	:	:	PUNCT
eurjchem-2551	48	13	colorless	colorless	ADJ
eurjchem-2551	48	14	.	.	PUNCT
eurjchem-2551	48	15	yield	yield	NOUN
eurjchem-2551	48	16	:	:	PUNCT
eurjchem-2551	48	17	0.857	0.857	NUM
eurjchem-2551	48	18	g	g	NOUN
eurjchem-2551	48	19	,	,	PUNCT
eurjchem-2551	48	20	87	87	NUM
eurjchem-2551	48	21	%	%	NOUN
eurjchem-2551	48	22	.	.	PUNCT
eurjchem-2551	49	1	m.p	m.p	PROPN
eurjchem-2551	49	2	.	.	PROPN
eurjchem-2551	49	3	:	:	PUNCT
eurjchem-2551	50	1	207	207	NUM
eurjchem-2551	50	2	-	-	SYM
eurjchem-2551	50	3	208	208	NUM
eurjchem-2551	50	4	°	°	NOUN
eurjchem-2551	50	5	c	c	NOUN
eurjchem-2551	50	6	.	.	PUNCT
eurjchem-2551	50	7	1h	1h	NUM
eurjchem-2551	50	8	nmr	nmr	NOUN
eurjchem-2551	50	9	(	(	PUNCT
eurjchem-2551	50	10	400	400	NUM
eurjchem-2551	50	11	mhz	mhz	NOUN
eurjchem-2551	50	12	,	,	PUNCT
eurjchem-2551	50	13	dmso	dmso	NOUN
eurjchem-2551	50	14	-	-	NOUN
eurjchem-2551	50	15	d6	d6	NOUN
eurjchem-2551	50	16	,	,	PUNCT
eurjchem-2551	50	17	δ	δ	PROPN
eurjchem-2551	50	18	,	,	PUNCT
eurjchem-2551	50	19	ppm	ppm	NUM
eurjchem-2551	50	20	):	):	PUNCT
eurjchem-2551	50	21	12,08	12,08	NUM
eurjchem-2551	50	22	(	(	PUNCT
eurjchem-2551	50	23	s	s	PROPN
eurjchem-2551	50	24	,	,	PUNCT
eurjchem-2551	50	25	1h	1h	NUM
eurjchem-2551	50	26	,	,	PUNCT
eurjchem-2551	50	27	nh	nh	PROPN
eurjchem-2551	50	28	)	)	PUNCT
eurjchem-2551	50	29	,	,	PUNCT
eurjchem-2551	50	30	11.94	11.94	NUM
eurjchem-2551	50	31	(	(	PUNCT
eurjchem-2551	50	32	s	s	PROPN
eurjchem-2551	50	33	,	,	PUNCT
eurjchem-2551	50	34	1h	1h	NUM
eurjchem-2551	50	35	,	,	PUNCT
eurjchem-2551	50	36	nh	nh	PROPN
eurjchem-2551	50	37	)	)	PUNCT
eurjchem-2551	50	38	,	,	PUNCT
eurjchem-2551	50	39	8.04	8.04	NUM
eurjchem-2551	50	40	(	(	PUNCT
eurjchem-2551	50	41	s	s	PROPN
eurjchem-2551	50	42	,	,	PUNCT
eurjchem-2551	50	43	2h	2h	NUM
eurjchem-2551	50	44	,	,	PUNCT
eurjchem-2551	50	45	ar(br)3	ar(br)3	NOUN
eurjchem-2551	50	46	-	-	PUNCT
eurjchem-2551	50	47	h	h	NOUN
eurjchem-2551	50	48	)	)	PUNCT
eurjchem-2551	50	49	,	,	PUNCT
eurjchem-2551	50	50	8.02	8.02	NUM
eurjchem-2551	50	51	(	(	PUNCT
eurjchem-2551	50	52	d	d	PROPN
eurjchem-2551	50	53	,	,	PUNCT
eurjchem-2551	50	54	j	j	PROPN
eurjchem-2551	50	55	=	=	SYM
eurjchem-2551	50	56	7.7	7.7	NUM
eurjchem-2551	50	57	hz	hz	NOUN
eurjchem-2551	50	58	,	,	PUNCT
eurjchem-2551	50	59	2h	2h	NUM
eurjchem-2551	50	60	,	,	PUNCT
eurjchem-2551	50	61	ar	ar	NOUN
eurjchem-2551	50	62	-	-	NOUN
eurjchem-2551	50	63	h	h	NOUN
eurjchem-2551	50	64	)	)	PUNCT
eurjchem-2551	51	1	,	,	PUNCT
eurjchem-2551	51	2	7.69	7.69	NUM
eurjchem-2551	51	3	(	(	PUNCT
eurjchem-2551	51	4	t	t	PROPN
eurjchem-2551	51	5	,	,	PUNCT
eurjchem-2551	51	6	2h	2h	NUM
eurjchem-2551	51	7	,	,	PUNCT
eurjchem-2551	51	8	ar	ar	NOUN
eurjchem-2551	51	9	-	-	NOUN
eurjchem-2551	51	10	h	h	NOUN
eurjchem-2551	51	11	)	)	PUNCT
eurjchem-2551	51	12	,	,	PUNCT
eurjchem-2551	51	13	7.56	7.56	NUM
eurjchem-2551	51	14	(	(	PUNCT
eurjchem-2551	51	15	s	s	PROPN
eurjchem-2551	51	16	,	,	PUNCT
eurjchem-2551	51	17	1h	1h	NUM
eurjchem-2551	51	18	,	,	PUNCT
eurjchem-2551	51	19	ar	ar	NOUN
eurjchem-2551	51	20	-	-	NOUN
eurjchem-2551	51	21	h	h	NOUN
eurjchem-2551	51	22	)	)	PUNCT
eurjchem-2551	51	23	.	.	PUNCT
eurjchem-2551	52	1	13c	13c	NOUN
eurjchem-2551	52	2	nmr	nmr	NOUN
eurjchem-2551	52	3	(	(	PUNCT
eurjchem-2551	52	4	100	100	NUM
eurjchem-2551	52	5	mhz	mhz	NOUN
eurjchem-2551	52	6	,	,	PUNCT
eurjchem-2551	52	7	dmso	dmso	NOUN
eurjchem-2551	52	8	-	-	NOUN
eurjchem-2551	52	9	d6	d6	NOUN
eurjchem-2551	52	10	,	,	PUNCT
eurjchem-2551	52	11	δ	δ	PROPN
eurjchem-2551	52	12	,	,	PUNCT
eurjchem-2551	52	13	ppm	ppm	NUM
eurjchem-2551	52	14	):	):	PUNCT
eurjchem-2551	52	15	180.75	180.75	NUM
eurjchem-2551	52	16	(	(	PUNCT
eurjchem-2551	52	17	c	c	NOUN
eurjchem-2551	52	18	=	=	SYM
eurjchem-2551	52	19	s	s	NOUN
eurjchem-2551	52	20	)	)	PUNCT
eurjchem-2551	52	21	,	,	PUNCT
eurjchem-2551	52	22	168.04	168.04	NUM
eurjchem-2551	52	23	(	(	PUNCT
eurjchem-2551	52	24	c	c	NOUN
eurjchem-2551	52	25	=	=	NOUN
eurjchem-2551	52	26	o	o	NOUN
eurjchem-2551	52	27	)	)	PUNCT
eurjchem-2551	52	28	,	,	PUNCT
eurjchem-2551	52	29	136.94	136.94	NUM
eurjchem-2551	52	30	,	,	PUNCT
eurjchem-2551	52	31	131.71	131.71	NUM
eurjchem-2551	52	32	,	,	PUNCT
eurjchem-2551	52	33	128.50	128.50	NUM
eurjchem-2551	52	34	,	,	PUNCT
eurjchem-2551	52	35	121.40	121.40	NUM
eurjchem-2551	52	36	(	(	PUNCT
eurjchem-2551	52	37	ar(br)3	ar(br)3	NOUN
eurjchem-2551	52	38	-	-	PUNCT
eurjchem-2551	52	39	c	c	NOUN
eurjchem-2551	52	40	)	)	PUNCT
eurjchem-2551	52	41	,	,	PUNCT
eurjchem-2551	52	42	134.23	134.23	NUM
eurjchem-2551	52	43	,	,	PUNCT
eurjchem-2551	52	44	133.34	133.34	NUM
eurjchem-2551	52	45	,	,	PUNCT
eurjchem-2551	52	46	128.76	128.76	NUM
eurjchem-2551	52	47	,	,	PUNCT
eurjchem-2551	52	48	125.08	125.08	NUM
eurjchem-2551	52	49	(	(	PUNCT
eurjchem-2551	52	50	ph	ph	VERB
eurjchem-2551	52	51	-	-	PUNCT
eurjchem-2551	52	52	c	c	NOUN
eurjchem-2551	52	53	)	)	PUNCT
eurjchem-2551	52	54	.	.	PUNCT
eurjchem-2551	53	1	ft	ft	PROPN
eurjchem-2551	53	2	-	-	PUNCT
eurjchem-2551	53	3	ir	ir	PROPN
eurjchem-2551	53	4	(	(	PUNCT
eurjchem-2551	53	5	atr	atr	PROPN
eurjchem-2551	53	6	,	,	PUNCT
eurjchem-2551	53	7	ν	ν	NOUN
eurjchem-2551	53	8	,	,	PUNCT
eurjchem-2551	53	9	cm-1	cm-1	NUM
eurjchem-2551	53	10	):	):	PUNCT
eurjchem-2551	53	11	3255	3255	NUM
eurjchem-2551	53	12	(	(	PUNCT
eurjchem-2551	53	13	n	n	CCONJ
eurjchem-2551	53	14	-	-	PUNCT
eurjchem-2551	53	15	h	h	NOUN
eurjchem-2551	53	16	)	)	PUNCT
eurjchem-2551	53	17	,	,	PUNCT
eurjchem-2551	53	18	3112	3112	NUM
eurjchem-2551	53	19	(	(	PUNCT
eurjchem-2551	53	20	n	n	CCONJ
eurjchem-2551	53	21	-	-	PUNCT
eurjchem-2551	53	22	h	h	NOUN
eurjchem-2551	53	23	)	)	PUNCT
eurjchem-2551	53	24	,	,	PUNCT
eurjchem-2551	53	25	3099	3099	NUM
eurjchem-2551	53	26	,	,	PUNCT
eurjchem-2551	53	27	3074	3074	NUM
eurjchem-2551	53	28	,	,	PUNCT
eurjchem-2551	53	29	3003	3003	NUM
eurjchem-2551	53	30	(	(	PUNCT
eurjchem-2551	53	31	car_h	car_h	NOUN
eurjchem-2551	53	32	)	)	PUNCT
eurjchem-2551	53	33	,	,	PUNCT
eurjchem-2551	53	34	1670	1670	NUM
eurjchem-2551	53	35	(	(	PUNCT
eurjchem-2551	53	36	c	c	NOUN
eurjchem-2551	53	37	=	=	NOUN
eurjchem-2551	53	38	o	o	NOUN
eurjchem-2551	53	39	)	)	PUNCT
eurjchem-2551	53	40	,	,	PUNCT
eurjchem-2551	53	41	1603	1603	NUM
eurjchem-2551	53	42	(	(	PUNCT
eurjchem-2551	53	43	c	c	NOUN
eurjchem-2551	53	44	=	=	SYM
eurjchem-2551	53	45	c	c	NOUN
eurjchem-2551	53	46	)	)	PUNCT
eurjchem-2551	53	47	,	,	PUNCT
eurjchem-2551	53	48	1506	1506	NUM
eurjchem-2551	53	49	(	(	PUNCT
eurjchem-2551	53	50	n	n	CCONJ
eurjchem-2551	53	51	-	-	PUNCT
eurjchem-2551	53	52	cs	cs	ADJ
eurjchem-2551	53	53	,	,	PUNCT
eurjchem-2551	53	54	thioureido	thioureido	NOUN
eurjchem-2551	53	55	)	)	PUNCT
eurjchem-2551	53	56	,	,	PUNCT
eurjchem-2551	53	57	1343	1343	NUM
eurjchem-2551	53	58	(	(	PUNCT
eurjchem-2551	53	59	n	n	CCONJ
eurjchem-2551	53	60	-	-	PUNCT
eurjchem-2551	53	61	co	co	NOUN
eurjchem-2551	53	62	)	)	PUNCT
eurjchem-2551	53	63	,	,	PUNCT
eurjchem-2551	53	64	1262	1262	NUM
eurjchem-2551	53	65	cm-1	cm-1	X
eurjchem-2551	53	66	(	(	PUNCT
eurjchem-2551	53	67	cs	cs	PROPN
eurjchem-2551	53	68	-	-	PUNCT
eurjchem-2551	53	69	n	n	NUM
eurjchem-2551	53	70	)	)	PUNCT
eurjchem-2551	53	71	,	,	PUNCT
eurjchem-2551	53	72	861	861	NUM
eurjchem-2551	53	73	(	(	PUNCT
eurjchem-2551	53	74	c	c	NOUN
eurjchem-2551	53	75	=	=	SYM
eurjchem-2551	53	76	s	s	X
eurjchem-2551	53	77	,	,	PUNCT
eurjchem-2551	53	78	stretching	stretching	NOUN
eurjchem-2551	53	79	)	)	PUNCT
eurjchem-2551	53	80	,	,	PUNCT
eurjchem-2551	53	81	778	778	NUM
eurjchem-2551	53	82	,	,	PUNCT
eurjchem-2551	53	83	739	739	NUM
eurjchem-2551	53	84	,	,	PUNCT
eurjchem-2551	53	85	701	701	NUM
eurjchem-2551	53	86	(	(	PUNCT
eurjchem-2551	53	87	c	c	NOUN
eurjchem-2551	53	88	-	-	PUNCT
eurjchem-2551	53	89	br	br	NOUN
eurjchem-2551	53	90	)	)	PUNCT
eurjchem-2551	53	91	.	.	PUNCT
eurjchem-2551	54	1	arslan	arslan	PROPN
eurjchem-2551	54	2	and	and	CCONJ
eurjchem-2551	54	3	aydin	aydin	PROPN
eurjchem-2551	54	4	/	/	SYM
eurjchem-2551	54	5	european	european	ADJ
eurjchem-2551	54	6	journal	journal	PROPN
eurjchem-2551	54	7	of	of	ADP
eurjchem-2551	54	8	chemistry	chemistry	NOUN
eurjchem-2551	54	9	15	15	NUM
eurjchem-2551	54	10	(	(	PUNCT
eurjchem-2551	54	11	2	2	NUM
eurjchem-2551	54	12	)	)	PUNCT
eurjchem-2551	54	13	(	(	PUNCT
eurjchem-2551	54	14	2024	2024	NUM
eurjchem-2551	54	15	)	)	PUNCT
eurjchem-2551	54	16	155	155	NUM
eurjchem-2551	54	17	-	-	SYM
eurjchem-2551	54	18	165	165	NUM
eurjchem-2551	54	19	157	157	NUM
eurjchem-2551	54	20	2024	2024	NUM
eurjchem-2551	54	21	–	–	PUNCT
eurjchem-2551	54	22	european	european	ADJ
eurjchem-2551	54	23	journal	journal	NOUN
eurjchem-2551	54	24	of	of	ADP
eurjchem-2551	54	25	chemistry	chemistry	NOUN
eurjchem-2551	54	26	–	–	PUNCT
eurjchem-2551	54	27	cc	cc	NOUN
eurjchem-2551	54	28	by	by	ADP
eurjchem-2551	54	29	nc	nc	PROPN
eurjchem-2551	54	30	–	–	PUNCT
eurjchem-2551	54	31	doi	doi	PROPN
eurjchem-2551	54	32	:	:	PUNCT
eurjchem-2551	54	33	10.5155	10.5155	NUM
eurjchem-2551	54	34	/	/	SYM
eurjchem-2551	54	35	eurjchem.15.2.155	eurjchem.15.2.155	NOUN
eurjchem-2551	54	36	-	-	SYM
eurjchem-2551	54	37	165.2551	165.2551	NUM
eurjchem-2551	54	38	table	table	NOUN
eurjchem-2551	54	39	1	1	NUM
eurjchem-2551	54	40	.	.	PUNCT
eurjchem-2551	54	41	crystal	crystal	NOUN
eurjchem-2551	54	42	data	datum	NOUN
eurjchem-2551	54	43	and	and	CCONJ
eurjchem-2551	54	44	structure	structure	NOUN
eurjchem-2551	54	45	refinement	refinement	NOUN
eurjchem-2551	54	46	parameters	parameter	NOUN
eurjchem-2551	54	47	for	for	ADP
eurjchem-2551	54	48	compounds	compound	NOUN
eurjchem-2551	54	49	i	i	PRON
eurjchem-2551	54	50	and	and	CCONJ
eurjchem-2551	54	51	ii	ii	PROPN
eurjchem-2551	54	52	.	.	PUNCT
eurjchem-2551	55	1	parameters	parameter	NOUN
eurjchem-2551	55	2	compound	compound	VERB
eurjchem-2551	55	3	i	i	PRON
eurjchem-2551	55	4	compound	compound	VERB
eurjchem-2551	55	5	ii	ii	PROPN
eurjchem-2551	55	6	empirical	empirical	ADJ
eurjchem-2551	55	7	formula	formula	NOUN
eurjchem-2551	55	8	c14h9br3n2os	c14h9br3n2os	X
eurjchem-2551	55	9	c14h8br3n3o3s	c14h8br3n3o3s	ADJ
eurjchem-2551	55	10	formula	formula	NOUN
eurjchem-2551	55	11	weight	weight	NOUN
eurjchem-2551	55	12	493.02	493.02	NUM
eurjchem-2551	55	13	538.02	538.02	NUM
eurjchem-2551	55	14	temperature	temperature	NOUN
eurjchem-2551	55	15	(	(	PUNCT
eurjchem-2551	55	16	k	k	NOUN
eurjchem-2551	55	17	)	)	PUNCT
eurjchem-2551	55	18	293	293	NUM
eurjchem-2551	55	19	293	293	NUM
eurjchem-2551	55	20	crystal	crystal	NOUN
eurjchem-2551	55	21	system	system	NOUN
eurjchem-2551	55	22	monoclinic	monoclinic	ADJ
eurjchem-2551	55	23	orthorhombic	orthorhombic	NOUN
eurjchem-2551	55	24	space	space	NOUN
eurjchem-2551	55	25	group	group	NOUN
eurjchem-2551	55	26	p21	p21	PROPN
eurjchem-2551	55	27	/	/	SYM
eurjchem-2551	55	28	n	n	PROPN
eurjchem-2551	55	29	pbca	pbca	NOUN
eurjchem-2551	55	30	a	a	PRON
eurjchem-2551	55	31	,	,	PUNCT
eurjchem-2551	55	32	(	(	PUNCT
eurjchem-2551	55	33	aå	aå	ADP
eurjchem-2551	55	34	)	)	PUNCT
eurjchem-2551	55	35	8.0437(13	8.0437(13	NUM
eurjchem-2551	55	36	)	)	PUNCT
eurjchem-2551	55	37	16.5477(12	16.5477(12	NUM
eurjchem-2551	55	38	)	)	PUNCT
eurjchem-2551	55	39	b	b	NOUN
eurjchem-2551	55	40	,	,	PUNCT
eurjchem-2551	55	41	(	(	PUNCT
eurjchem-2551	55	42	aå	aå	ADP
eurjchem-2551	55	43	)	)	PUNCT
eurjchem-2551	55	44	37.021(6	37.021(6	NUM
eurjchem-2551	55	45	)	)	PUNCT
eurjchem-2551	55	46	7.4257(6	7.4257(6	NUM
eurjchem-2551	55	47	)	)	PUNCT
eurjchem-2551	56	1	c	c	X
eurjchem-2551	56	2	,	,	PUNCT
eurjchem-2551	56	3	(	(	PUNCT
eurjchem-2551	56	4	aå	aå	ADP
eurjchem-2551	56	5	)	)	PUNCT
eurjchem-2551	56	6	10.7842(15	10.7842(15	NUM
eurjchem-2551	56	7	)	)	PUNCT
eurjchem-2551	56	8	28.378(2	28.378(2	NOUN
eurjchem-2551	56	9	)	)	PUNCT
eurjchem-2551	56	10	volume	volume	NOUN
eurjchem-2551	56	11	(	(	PUNCT
eurjchem-2551	56	12	å3	å3	PROPN
eurjchem-2551	56	13	)	)	PUNCT
eurjchem-2551	56	14	3210.9(8	3210.9(8	NUM
eurjchem-2551	56	15	)	)	PUNCT
eurjchem-2551	56	16	3487.1(5	3487.1(5	NUM
eurjchem-2551	56	17	)	)	PUNCT
eurjchem-2551	56	18	z	z	NOUN
eurjchem-2551	56	19	8	8	NUM
eurjchem-2551	56	20	8	8	NUM
eurjchem-2551	56	21	ρcalc	ρcalc	NOUN
eurjchem-2551	56	22	(	(	PUNCT
eurjchem-2551	56	23	g	g	NOUN
eurjchem-2551	56	24	/	/	SYM
eurjchem-2551	56	25	cm3	cm3	NOUN
eurjchem-2551	56	26	)	)	PUNCT
eurjchem-2551	56	27	2.040	2.040	NUM
eurjchem-2551	56	28	2.050	2.050	NUM
eurjchem-2551	56	29	α	α	NOUN
eurjchem-2551	56	30	,	,	PUNCT
eurjchem-2551	56	31	β	β	X
eurjchem-2551	56	32	,	,	PUNCT
eurjchem-2551	56	33	γ	γ	X
eurjchem-2551	56	34	(	(	PUNCT
eurjchem-2551	56	35	°	°	PROPN
eurjchem-2551	56	36	)	)	PUNCT
eurjchem-2551	56	37	90	90	NUM
eurjchem-2551	56	38	,	,	PUNCT
eurjchem-2551	56	39	90.936	90.936	NUM
eurjchem-2551	56	40	(	(	PUNCT
eurjchem-2551	56	41	5	5	NUM
eurjchem-2551	56	42	)	)	PUNCT
eurjchem-2551	56	43	,	,	PUNCT
eurjchem-2551	56	44	90	90	NUM
eurjchem-2551	56	45	90	90	NUM
eurjchem-2551	56	46	,	,	PUNCT
eurjchem-2551	56	47	90	90	NUM
eurjchem-2551	56	48	,	,	PUNCT
eurjchem-2551	56	49	90	90	NUM
eurjchem-2551	56	50	μ	μ	NUM
eurjchem-2551	56	51	(	(	PUNCT
eurjchem-2551	56	52	mm-1	mm-1	NOUN
eurjchem-2551	56	53	)	)	PUNCT
eurjchem-2551	56	54	7.666	7.666	NUM
eurjchem-2551	56	55	7.077	7.077	NUM
eurjchem-2551	56	56	f(000	f(000	PROPN
eurjchem-2551	56	57	)	)	PUNCT
eurjchem-2551	56	58	528.0	528.0	NUM
eurjchem-2551	56	59	528.0	528.0	NUM
eurjchem-2551	56	60	crystal	crystal	NOUN
eurjchem-2551	56	61	size	size	NOUN
eurjchem-2551	56	62	(	(	PUNCT
eurjchem-2551	56	63	mm3	mm3	PROPN
eurjchem-2551	56	64	)	)	PUNCT
eurjchem-2551	56	65	0.12×0.09×0.07	0.12×0.09×0.07	PUNCT
eurjchem-2551	57	1	0.09×0.07×0.03	0.09×0.07×0.03	NUM
eurjchem-2551	57	2	colour	colour	NOUN
eurjchem-2551	57	3	/	/	SYM
eurjchem-2551	57	4	shape	shape	NOUN
eurjchem-2551	57	5	colourless	colourless	ADJ
eurjchem-2551	57	6	/	/	SYM
eurjchem-2551	57	7	prism	prism	NOUN
eurjchem-2551	57	8	pale	pale	ADJ
eurjchem-2551	57	9	yellow	yellow	ADJ
eurjchem-2551	57	10	/	/	SYM
eurjchem-2551	57	11	block	block	NOUN
eurjchem-2551	57	12	radiation	radiation	NOUN
eurjchem-2551	57	13	mokα	mokα	NOUN
eurjchem-2551	57	14	(	(	PUNCT
eurjchem-2551	57	15	λ	λ	X
eurjchem-2551	57	16	=	=	SYM
eurjchem-2551	57	17	0.71073	0.71073	NUM
eurjchem-2551	57	18	)	)	PUNCT
eurjchem-2551	57	19	mokα	mokα	NOUN
eurjchem-2551	57	20	(	(	PUNCT
eurjchem-2551	57	21	λ	λ	X
eurjchem-2551	57	22	=	=	SYM
eurjchem-2551	57	23	0.71073	0.71073	NUM
eurjchem-2551	57	24	)	)	PUNCT
eurjchem-2551	57	25	2θ	2θ	NUM
eurjchem-2551	57	26	range	range	VERB
eurjchem-2551	57	27	for	for	ADP
eurjchem-2551	57	28	data	data	NOUN
eurjchem-2551	57	29	collection	collection	NOUN
eurjchem-2551	57	30	(	(	PUNCT
eurjchem-2551	57	31	°	°	PROPN
eurjchem-2551	57	32	)	)	PUNCT
eurjchem-2551	57	33	2.9	2.9	NUM
eurjchem-2551	57	34	≤	≤	NUM
eurjchem-2551	57	35	θ	θ	PROPN
eurjchem-2551	57	36	≤	≤	NUM
eurjchem-2551	57	37	26	26	NUM
eurjchem-2551	57	38	2.9	2.9	NUM
eurjchem-2551	57	39	≤	≤	NUM
eurjchem-2551	57	40	θ	θ	PROPN
eurjchem-2551	57	41	≤	≤	ADV
eurjchem-2551	57	42	25.1	25.1	NUM
eurjchem-2551	57	43	reflections	reflection	NOUN
eurjchem-2551	57	44	collected	collect	VERB
eurjchem-2551	57	45	36579	36579	NUM
eurjchem-2551	57	46	27641	27641	NUM
eurjchem-2551	57	47	independent	independent	ADJ
eurjchem-2551	57	48	reflections	reflection	NOUN
eurjchem-2551	57	49	6301	6301	NUM
eurjchem-2551	57	50	3061	3061	NUM
eurjchem-2551	57	51	data	datum	NOUN
eurjchem-2551	57	52	/	/	SYM
eurjchem-2551	57	53	restraints	restraint	NOUN
eurjchem-2551	57	54	/	/	SYM
eurjchem-2551	57	55	parameters	parameter	NOUN
eurjchem-2551	57	56	6301/0/380	6301/0/380	NUM
eurjchem-2551	57	57	3061/0/181	3061/0/181	NUM
eurjchem-2551	57	58	n-4	n-4	NUM
eurjchem-2551	57	59	-	-	PUNCT
eurjchem-2551	57	60	nitro	nitro	NOUN
eurjchem-2551	57	61	-	-	PUNCT
eurjchem-2551	57	62	benzoyl	benzoyl	NOUN
eurjchem-2551	57	63	-	-	PUNCT
eurjchem-2551	57	64	n׳-(2,4,6	n׳-(2,4,6	NOUN
eurjchem-2551	57	65	-	-	PUNCT
eurjchem-2551	57	66	tribromophenyl)thiourea	tribromophenyl)thiourea	ADV
eurjchem-2551	57	67	(	(	PUNCT
eurjchem-2551	57	68	ii	ii	NOUN
eurjchem-2551	57	69	):	):	PUNCT
eurjchem-2551	57	70	color	color	NOUN
eurjchem-2551	57	71	:	:	PUNCT
eurjchem-2551	57	72	pale	pale	ADJ
eurjchem-2551	57	73	yellow	yellow	ADJ
eurjchem-2551	57	74	.	.	PUNCT
eurjchem-2551	58	1	yield	yield	NOUN
eurjchem-2551	58	2	:	:	PUNCT
eurjchem-2551	58	3	0.775	0.775	NUM
eurjchem-2551	58	4	g	g	NOUN
eurjchem-2551	58	5	,	,	PUNCT
eurjchem-2551	58	6	72	72	NUM
eurjchem-2551	58	7	%	%	NOUN
eurjchem-2551	58	8	.	.	PUNCT
eurjchem-2551	59	1	m.p	m.p	PROPN
eurjchem-2551	59	2	.	.	PROPN
eurjchem-2551	59	3	:	:	PUNCT
eurjchem-2551	60	1	221	221	NUM
eurjchem-2551	60	2	-	-	SYM
eurjchem-2551	60	3	222	222	NUM
eurjchem-2551	60	4	°	°	NOUN
eurjchem-2551	60	5	c	c	NOUN
eurjchem-2551	60	6	.	.	PUNCT
eurjchem-2551	61	1	1h	1h	NUM
eurjchem-2551	61	2	nmr	nmr	NOUN
eurjchem-2551	61	3	(	(	PUNCT
eurjchem-2551	61	4	400	400	NUM
eurjchem-2551	61	5	mhz	mhz	NOUN
eurjchem-2551	61	6	,	,	PUNCT
eurjchem-2551	61	7	dmso	dmso	NOUN
eurjchem-2551	61	8	-	-	NOUN
eurjchem-2551	61	9	d6	d6	NOUN
eurjchem-2551	61	10	,	,	PUNCT
eurjchem-2551	61	11	δ	δ	PROPN
eurjchem-2551	61	12	,	,	PUNCT
eurjchem-2551	61	13	ppm	ppm	NUM
eurjchem-2551	61	14	):	):	PUNCT
eurjchem-2551	61	15	12.25	12.25	NUM
eurjchem-2551	61	16	(	(	PUNCT
eurjchem-2551	61	17	s	s	PROPN
eurjchem-2551	61	18	,	,	PUNCT
eurjchem-2551	61	19	1h	1h	NUM
eurjchem-2551	61	20	,	,	PUNCT
eurjchem-2551	61	21	nh	nh	PROPN
eurjchem-2551	61	22	)	)	PUNCT
eurjchem-2551	61	23	,	,	PUNCT
eurjchem-2551	61	24	11.86	11.86	NUM
eurjchem-2551	61	25	(	(	PUNCT
eurjchem-2551	61	26	s	s	PROPN
eurjchem-2551	61	27	,	,	PUNCT
eurjchem-2551	61	28	1h	1h	NUM
eurjchem-2551	61	29	,	,	PUNCT
eurjchem-2551	61	30	nh	nh	PROPN
eurjchem-2551	61	31	)	)	PUNCT
eurjchem-2551	61	32	,	,	PUNCT
eurjchem-2551	61	33	8.31	8.31	NUM
eurjchem-2551	61	34	(	(	PUNCT
eurjchem-2551	61	35	d	d	NOUN
eurjchem-2551	61	36	,	,	PUNCT
eurjchem-2551	61	37	2h	2h	NUM
eurjchem-2551	61	38	,	,	PUNCT
eurjchem-2551	61	39	ar(no2)-h	ar(no2)-h	NUM
eurjchem-2551	61	40	)	)	PUNCT
eurjchem-2551	61	41	,	,	PUNCT
eurjchem-2551	61	42	8.17	8.17	NUM
eurjchem-2551	61	43	(	(	PUNCT
eurjchem-2551	61	44	d	d	PROPN
eurjchem-2551	61	45	,	,	PUNCT
eurjchem-2551	61	46	j	j	PROPN
eurjchem-2551	61	47	=	=	SYM
eurjchem-2551	61	48	7.7	7.7	NUM
eurjchem-2551	61	49	hz	hz	NOUN
eurjchem-2551	61	50	,	,	PUNCT
eurjchem-2551	61	51	2h	2h	NUM
eurjchem-2551	61	52	,	,	PUNCT
eurjchem-2551	61	53	ar(no2)-h	ar(no2)-h	NUM
eurjchem-2551	61	54	)	)	PUNCT
eurjchem-2551	61	55	,	,	PUNCT
eurjchem-2551	61	56	7.99	7.99	NUM
eurjchem-2551	61	57	(	(	PUNCT
eurjchem-2551	61	58	s	s	PROPN
eurjchem-2551	61	59	,	,	PUNCT
eurjchem-2551	61	60	2h	2h	NUM
eurjchem-2551	61	61	,	,	PUNCT
eurjchem-2551	61	62	ar(br)3	ar(br)3	NOUN
eurjchem-2551	61	63	-	-	PUNCT
eurjchem-2551	61	64	h	h	NOUN
eurjchem-2551	61	65	)	)	PUNCT
eurjchem-2551	61	66	.	.	PUNCT
eurjchem-2551	62	1	13c	13c	NOUN
eurjchem-2551	62	2	nmr	nmr	NOUN
eurjchem-2551	62	3	(	(	PUNCT
eurjchem-2551	62	4	100	100	NUM
eurjchem-2551	62	5	mhz	mhz	NOUN
eurjchem-2551	62	6	,	,	PUNCT
eurjchem-2551	62	7	dmsod6	dmsod6	PROPN
eurjchem-2551	62	8	,	,	PUNCT
eurjchem-2551	62	9	δ	δ	PROPN
eurjchem-2551	62	10	,	,	PUNCT
eurjchem-2551	62	11	ppm	ppm	NOUN
eurjchem-2551	62	12	):	):	PUNCT
eurjchem-2551	62	13	180.91	180.91	NUM
eurjchem-2551	62	14	(	(	PUNCT
eurjchem-2551	62	15	c	c	NOUN
eurjchem-2551	62	16	=	=	SYM
eurjchem-2551	62	17	s	s	NOUN
eurjchem-2551	62	18	)	)	PUNCT
eurjchem-2551	62	19	,	,	PUNCT
eurjchem-2551	62	20	167.09	167.09	NUM
eurjchem-2551	62	21	(	(	PUNCT
eurjchem-2551	62	22	c	c	NOUN
eurjchem-2551	62	23	=	=	NOUN
eurjchem-2551	62	24	o	o	NOUN
eurjchem-2551	62	25	)	)	PUNCT
eurjchem-2551	62	26	,	,	PUNCT
eurjchem-2551	62	27	138.04	138.04	NUM
eurjchem-2551	62	28	,	,	PUNCT
eurjchem-2551	62	29	134.78	134.78	NUM
eurjchem-2551	62	30	,	,	PUNCT
eurjchem-2551	62	31	125.56	125.56	NUM
eurjchem-2551	62	32	,	,	PUNCT
eurjchem-2551	62	33	122.04	122.04	NUM
eurjchem-2551	62	34	(	(	PUNCT
eurjchem-2551	62	35	ar(br)3	ar(br)3	NOUN
eurjchem-2551	62	36	-	-	PUNCT
eurjchem-2551	62	37	c	c	NOUN
eurjchem-2551	62	38	)	)	PUNCT
eurjchem-2551	62	39	,	,	PUNCT
eurjchem-2551	62	40	150.46	150.46	NUM
eurjchem-2551	62	41	,	,	PUNCT
eurjchem-2551	62	42	137.42	137.42	NUM
eurjchem-2551	62	43	,	,	PUNCT
eurjchem-2551	62	44	130.91	130.91	NUM
eurjchem-2551	62	45	,	,	PUNCT
eurjchem-2551	62	46	123.95	123.95	NUM
eurjchem-2551	62	47	(	(	PUNCT
eurjchem-2551	62	48	ar(no2)-c	ar(no2)-c	PROPN
eurjchem-2551	62	49	.	.	PUNCT
eurjchem-2551	63	1	ft	ft	PROPN
eurjchem-2551	63	2	-	-	PUNCT
eurjchem-2551	63	3	ir	ir	PROPN
eurjchem-2551	63	4	(	(	PUNCT
eurjchem-2551	63	5	atr	atr	PROPN
eurjchem-2551	63	6	,	,	PUNCT
eurjchem-2551	63	7	ν	ν	NOUN
eurjchem-2551	63	8	,	,	PUNCT
eurjchem-2551	63	9	cm-1	cm-1	NUM
eurjchem-2551	63	10	):	):	PUNCT
eurjchem-2551	63	11	3413	3413	NUM
eurjchem-2551	63	12	(	(	PUNCT
eurjchem-2551	63	13	n	n	CCONJ
eurjchem-2551	63	14	-	-	PUNCT
eurjchem-2551	63	15	h	h	NOUN
eurjchem-2551	63	16	)	)	PUNCT
eurjchem-2551	63	17	,	,	PUNCT
eurjchem-2551	63	18	3284	3284	NUM
eurjchem-2551	63	19	(	(	PUNCT
eurjchem-2551	63	20	n	n	CCONJ
eurjchem-2551	63	21	-	-	PUNCT
eurjchem-2551	63	22	h	h	NOUN
eurjchem-2551	63	23	)	)	PUNCT
eurjchem-2551	63	24	,	,	PUNCT
eurjchem-2551	63	25	3180	3180	NUM
eurjchem-2551	63	26	,	,	PUNCT
eurjchem-2551	63	27	3095	3095	NUM
eurjchem-2551	63	28	,	,	PUNCT
eurjchem-2551	63	29	3073	3073	NUM
eurjchem-2551	63	30	(	(	PUNCT
eurjchem-2551	63	31	caromatic	caromatic	ADJ
eurjchem-2551	63	32	_	_	NOUN
eurjchem-2551	63	33	h	h	NOUN
eurjchem-2551	63	34	)	)	PUNCT
eurjchem-2551	63	35	,	,	PUNCT
eurjchem-2551	63	36	1728	1728	NUM
eurjchem-2551	63	37	(	(	PUNCT
eurjchem-2551	63	38	c	c	NOUN
eurjchem-2551	63	39	=	=	NOUN
eurjchem-2551	63	40	o	o	NOUN
eurjchem-2551	63	41	)	)	PUNCT
eurjchem-2551	63	42	,	,	PUNCT
eurjchem-2551	63	43	1607	1607	NUM
eurjchem-2551	63	44	(	(	PUNCT
eurjchem-2551	63	45	c	c	NOUN
eurjchem-2551	63	46	=	=	SYM
eurjchem-2551	63	47	c	c	NOUN
eurjchem-2551	63	48	)	)	PUNCT
eurjchem-2551	63	49	,	,	PUNCT
eurjchem-2551	63	50	1539	1539	NUM
eurjchem-2551	63	51	(	(	PUNCT
eurjchem-2551	63	52	n	n	CCONJ
eurjchem-2551	63	53	-	-	PUNCT
eurjchem-2551	63	54	cs	cs	ADJ
eurjchem-2551	63	55	,	,	PUNCT
eurjchem-2551	63	56	thioureido	thioureido	NOUN
eurjchem-2551	63	57	)	)	PUNCT
eurjchem-2551	63	58	,	,	PUNCT
eurjchem-2551	63	59	1381	1381	NUM
eurjchem-2551	63	60	(	(	PUNCT
eurjchem-2551	63	61	-n	-n	NOUN
eurjchem-2551	63	62	-	-	NOUN
eurjchem-2551	63	63	co	co	NOUN
eurjchem-2551	63	64	)	)	PUNCT
eurjchem-2551	63	65	,	,	PUNCT
eurjchem-2551	63	66	1276	1276	NUM
eurjchem-2551	63	67	(	(	PUNCT
eurjchem-2551	63	68	cs	cs	PROPN
eurjchem-2551	63	69	-	-	PUNCT
eurjchem-2551	63	70	n	n	NUM
eurjchem-2551	63	71	)	)	PUNCT
eurjchem-2551	63	72	,	,	PUNCT
eurjchem-2551	63	73	1346	1346	NUM
eurjchem-2551	63	74	(	(	PUNCT
eurjchem-2551	63	75	on	on	ADP
eurjchem-2551	63	76	=	=	NOUN
eurjchem-2551	63	77	o	o	NOUN
eurjchem-2551	63	78	)	)	PUNCT
eurjchem-2551	63	79	,	,	PUNCT
eurjchem-2551	63	80	858	858	NUM
eurjchem-2551	63	81	(	(	PUNCT
eurjchem-2551	63	82	c	c	NOUN
eurjchem-2551	63	83	=	=	SYM
eurjchem-2551	63	84	s	s	NOUN
eurjchem-2551	63	85	stretching	stretching	NOUN
eurjchem-2551	63	86	)	)	PUNCT
eurjchem-2551	63	87	and	and	CCONJ
eurjchem-2551	63	88	729	729	NUM
eurjchem-2551	63	89	,	,	PUNCT
eurjchem-2551	63	90	705	705	NUM
eurjchem-2551	63	91	,	,	PUNCT
eurjchem-2551	63	92	700	700	NUM
eurjchem-2551	63	93	(	(	PUNCT
eurjchem-2551	63	94	c	c	NOUN
eurjchem-2551	63	95	-	-	PUNCT
eurjchem-2551	63	96	br	br	NOUN
eurjchem-2551	63	97	)	)	PUNCT
eurjchem-2551	63	98	.	.	PUNCT
eurjchem-2551	64	1	2.3	2.3	NUM
eurjchem-2551	64	2	.	.	PUNCT
eurjchem-2551	65	1	x	x	X
eurjchem-2551	65	2	-	-	PUNCT
eurjchem-2551	65	3	ray	ray	NOUN
eurjchem-2551	65	4	data	datum	NOUN
eurjchem-2551	65	5	collection	collection	NOUN
eurjchem-2551	65	6	and	and	CCONJ
eurjchem-2551	65	7	structure	structure	NOUN
eurjchem-2551	65	8	refinement	refinement	NOUN
eurjchem-2551	65	9	the	the	DET
eurjchem-2551	65	10	single	single	ADJ
eurjchem-2551	65	11	-	-	PUNCT
eurjchem-2551	65	12	crystal	crystal	NOUN
eurjchem-2551	65	13	x	x	ADJ
eurjchem-2551	65	14	-	-	NOUN
eurjchem-2551	65	15	ray	ray	NOUN
eurjchem-2551	65	16	data	datum	NOUN
eurjchem-2551	65	17	were	be	AUX
eurjchem-2551	65	18	collected	collect	VERB
eurjchem-2551	65	19	on	on	ADP
eurjchem-2551	65	20	a	a	DET
eurjchem-2551	65	21	bruker	bruker	NOUN
eurjchem-2551	65	22	apex	apex	PROPN
eurjchem-2551	65	23	-	-	PUNCT
eurjchem-2551	65	24	ii	ii	NOUN
eurjchem-2551	65	25	.	.	PUNCT
eurjchem-2551	66	1	all	all	DET
eurjchem-2551	66	2	diffraction	diffraction	NOUN
eurjchem-2551	66	3	measurements	measurement	NOUN
eurjchem-2551	66	4	were	be	AUX
eurjchem-2551	66	5	performed	perform	VERB
eurjchem-2551	66	6	at	at	ADP
eurjchem-2551	66	7	room	room	NOUN
eurjchem-2551	66	8	temperature	temperature	NOUN
eurjchem-2551	66	9	(	(	PUNCT
eurjchem-2551	66	10	296	296	NUM
eurjchem-2551	66	11	k	k	NOUN
eurjchem-2551	66	12	)	)	PUNCT
eurjchem-2551	66	13	using	use	VERB
eurjchem-2551	66	14	graphite	graphite	NOUN
eurjchem-2551	66	15	monochromated	monochromate	VERB
eurjchem-2551	66	16	mokα	mokα	ADJ
eurjchem-2551	66	17	radiation	radiation	NOUN
eurjchem-2551	66	18	(	(	PUNCT
eurjchem-2551	66	19	λ	λ	X
eurjchem-2551	66	20	=	=	SYM
eurjchem-2551	66	21	0.71073	0.71073	NUM
eurjchem-2551	66	22	å	å	NOUN
eurjchem-2551	66	23	)	)	PUNCT
eurjchem-2551	66	24	.	.	PUNCT
eurjchem-2551	67	1	unit	unit	NOUN
eurjchem-2551	67	2	cell	cell	NOUN
eurjchem-2551	67	3	parameters	parameter	NOUN
eurjchem-2551	67	4	were	be	AUX
eurjchem-2551	67	5	determined	determine	VERB
eurjchem-2551	67	6	from	from	ADP
eurjchem-2551	67	7	the	the	DET
eurjchem-2551	67	8	least	least	ADJ
eurjchem-2551	67	9	-	-	PUNCT
eurjchem-2551	67	10	squares	square	NOUN
eurjchem-2551	67	11	refinement	refinement	NOUN
eurjchem-2551	67	12	of	of	ADP
eurjchem-2551	67	13	setting	set	VERB
eurjchem-2551	67	14	angles	angle	NOUN
eurjchem-2551	67	15	with	with	ADP
eurjchem-2551	67	16	θ	θ	PROPN
eurjchem-2551	67	17	for	for	ADP
eurjchem-2551	67	18	compounds	compound	NOUN
eurjchem-2551	67	19	i	i	PRON
eurjchem-2551	67	20	and	and	CCONJ
eurjchem-2551	67	21	ii	ii	PROPN
eurjchem-2551	67	22	in	in	ADP
eurjchem-2551	67	23	the	the	DET
eurjchem-2551	67	24	range	range	NOUN
eurjchem-2551	67	25	of	of	ADP
eurjchem-2551	67	26	2.9	2.9	NUM
eurjchem-2551	67	27	≤	≤	NUM
eurjchem-2551	67	28	θ	θ	PROPN
eurjchem-2551	67	29	≤	≤	NUM
eurjchem-2551	67	30	26	26	NUM
eurjchem-2551	67	31	and	and	CCONJ
eurjchem-2551	67	32	2.9	2.9	NUM
eurjchem-2551	67	33	≤	≤	NUM
eurjchem-2551	67	34	θ	θ	PROPN
eurjchem-2551	67	35	≤	≤	NUM
eurjchem-2551	67	36	25.1	25.1	NUM
eurjchem-2551	67	37	,	,	PUNCT
eurjchem-2551	67	38	respectively	respectively	ADV
eurjchem-2551	67	39	.	.	PUNCT
eurjchem-2551	68	1	the	the	DET
eurjchem-2551	68	2	structures	structure	NOUN
eurjchem-2551	68	3	were	be	AUX
eurjchem-2551	68	4	solved	solve	VERB
eurjchem-2551	68	5	by	by	ADP
eurjchem-2551	68	6	direct	direct	ADJ
eurjchem-2551	68	7	methods	method	NOUN
eurjchem-2551	68	8	using	use	VERB
eurjchem-2551	68	9	shelxs-97	shelxs-97	PROPN
eurjchem-2551	68	10	[	[	X
eurjchem-2551	68	11	18	18	NUM
eurjchem-2551	68	12	]	]	PUNCT
eurjchem-2551	68	13	implemented	implement	VERB
eurjchem-2551	68	14	in	in	ADP
eurjchem-2551	68	15	the	the	DET
eurjchem-2551	68	16	wingx	wingx	NOUN
eurjchem-2551	68	17	[	[	X
eurjchem-2551	68	18	19	19	NUM
eurjchem-2551	68	19	]	]	PUNCT
eurjchem-2551	68	20	program	program	NOUN
eurjchem-2551	68	21	suite	suite	NOUN
eurjchem-2551	68	22	.	.	PUNCT
eurjchem-2551	69	1	the	the	DET
eurjchem-2551	69	2	refinement	refinement	NOUN
eurjchem-2551	69	3	was	be	AUX
eurjchem-2551	69	4	carried	carry	VERB
eurjchem-2551	69	5	out	out	ADP
eurjchem-2551	69	6	using	use	VERB
eurjchem-2551	69	7	the	the	DET
eurjchem-2551	69	8	fullmatrix	fullmatrix	NOUN
eurjchem-2551	69	9	least	least	ADJ
eurjchem-2551	69	10	squares	square	NOUN
eurjchem-2551	69	11	method	method	NOUN
eurjchem-2551	69	12	on	on	ADP
eurjchem-2551	69	13	the	the	DET
eurjchem-2551	69	14	positional	positional	ADJ
eurjchem-2551	69	15	and	and	CCONJ
eurjchem-2551	69	16	anisotropic	anisotropic	NOUN
eurjchem-2551	69	17	temperature	temperature	NOUN
eurjchem-2551	69	18	parameters	parameter	NOUN
eurjchem-2551	69	19	of	of	ADP
eurjchem-2551	69	20	the	the	DET
eurjchem-2551	69	21	nonhydrogen	nonhydrogen	NOUN
eurjchem-2551	69	22	atoms	atom	NOUN
eurjchem-2551	69	23	,	,	PUNCT
eurjchem-2551	69	24	or	or	CCONJ
eurjchem-2551	69	25	equivalently	equivalently	ADV
eurjchem-2551	69	26	corresponding	correspond	VERB
eurjchem-2551	69	27	to	to	ADP
eurjchem-2551	69	28	380	380	NUM
eurjchem-2551	69	29	crystallographic	crystallographic	ADJ
eurjchem-2551	69	30	parameters	parameter	NOUN
eurjchem-2551	69	31	for	for	ADP
eurjchem-2551	69	32	compound	compound	NOUN
eurjchem-2551	69	33	i	i	PROPN
eurjchem-2551	69	34	and	and	CCONJ
eurjchem-2551	69	35	181	181	NUM
eurjchem-2551	69	36	crystallographic	crystallographic	ADJ
eurjchem-2551	69	37	parameters	parameter	NOUN
eurjchem-2551	69	38	for	for	ADP
eurjchem-2551	69	39	compound	compound	NOUN
eurjchem-2551	69	40	ii	ii	PROPN
eurjchem-2551	69	41	,	,	PUNCT
eurjchem-2551	69	42	using	use	VERB
eurjchem-2551	69	43	shelxl-97	shelxl-97	PROPN
eurjchem-2551	69	44	[	[	X
eurjchem-2551	69	45	18	18	NUM
eurjchem-2551	69	46	]	]	PUNCT
eurjchem-2551	69	47	.	.	PUNCT
eurjchem-2551	70	1	all	all	DET
eurjchem-2551	70	2	h	h	NOUN
eurjchem-2551	70	3	atoms	atom	NOUN
eurjchem-2551	70	4	of	of	ADP
eurjchem-2551	70	5	compound	compound	NOUN
eurjchem-2551	70	6	i	i	PROPN
eurjchem-2551	70	7	and	and	CCONJ
eurjchem-2551	70	8	compound	compound	PROPN
eurjchem-2551	70	9	ii	ii	PROPN
eurjchem-2551	70	10	were	be	AUX
eurjchem-2551	70	11	geometrically	geometrically	ADV
eurjchem-2551	70	12	positioned	position	VERB
eurjchem-2551	70	13	and	and	CCONJ
eurjchem-2551	70	14	treated	treat	VERB
eurjchem-2551	70	15	using	use	VERB
eurjchem-2551	70	16	a	a	DET
eurjchem-2551	70	17	riding	ride	VERB
eurjchem-2551	70	18	model	model	NOUN
eurjchem-2551	70	19	,	,	PUNCT
eurjchem-2551	70	20	fixing	fix	VERB
eurjchem-2551	70	21	the	the	DET
eurjchem-2551	70	22	bond	bond	NOUN
eurjchem-2551	70	23	lengths	length	NOUN
eurjchem-2551	70	24	at	at	ADP
eurjchem-2551	70	25	0.86	0.86	NUM
eurjchem-2551	70	26	and	and	CCONJ
eurjchem-2551	70	27	0.93	0.93	NUM
eurjchem-2551	70	28	å	å	PROPN
eurjchem-2551	70	29	for	for	ADP
eurjchem-2551	70	30	the	the	DET
eurjchem-2551	70	31	nh	nh	PROPN
eurjchem-2551	70	32	and	and	CCONJ
eurjchem-2551	70	33	ch	ch	NOUN
eurjchem-2551	70	34	atoms	atom	NOUN
eurjchem-2551	70	35	,	,	PUNCT
eurjchem-2551	70	36	respectively	respectively	ADV
eurjchem-2551	70	37	.	.	PUNCT
eurjchem-2551	71	1	details	detail	NOUN
eurjchem-2551	71	2	of	of	ADP
eurjchem-2551	71	3	the	the	DET
eurjchem-2551	71	4	data	datum	NOUN
eurjchem-2551	71	5	collection	collection	NOUN
eurjchem-2551	71	6	conditions	condition	NOUN
eurjchem-2551	71	7	and	and	CCONJ
eurjchem-2551	71	8	refinement	refinement	NOUN
eurjchem-2551	71	9	process	process	NOUN
eurjchem-2551	71	10	parameters	parameter	NOUN
eurjchem-2551	71	11	for	for	ADP
eurjchem-2551	71	12	the	the	DET
eurjchem-2551	71	13	two	two	NUM
eurjchem-2551	71	14	compounds	compound	NOUN
eurjchem-2551	71	15	are	be	AUX
eurjchem-2551	71	16	given	give	VERB
eurjchem-2551	71	17	in	in	ADP
eurjchem-2551	71	18	table	table	NOUN
eurjchem-2551	71	19	1	1	NUM
eurjchem-2551	71	20	.	.	PUNCT
eurjchem-2551	71	21	bond	bond	NOUN
eurjchem-2551	71	22	lengths	length	NOUN
eurjchem-2551	71	23	and	and	CCONJ
eurjchem-2551	71	24	angles	angle	NOUN
eurjchem-2551	71	25	for	for	ADP
eurjchem-2551	71	26	compounds	compound	NOUN
eurjchem-2551	71	27	i	i	PRON
eurjchem-2551	71	28	and	and	CCONJ
eurjchem-2551	71	29	ii	ii	PROPN
eurjchem-2551	71	30	are	be	AUX
eurjchem-2551	71	31	given	give	VERB
eurjchem-2551	71	32	in	in	ADP
eurjchem-2551	71	33	tables	table	NOUN
eurjchem-2551	71	34	2	2	NUM
eurjchem-2551	71	35	and	and	CCONJ
eurjchem-2551	71	36	3	3	NUM
eurjchem-2551	71	37	,	,	PUNCT
eurjchem-2551	71	38	respectively	respectively	ADV
eurjchem-2551	71	39	.	.	PUNCT
eurjchem-2551	72	1	atomic	atomic	ADJ
eurjchem-2551	72	2	numbering	numbering	NOUN
eurjchem-2551	72	3	schemes	scheme	NOUN
eurjchem-2551	72	4	with	with	ADP
eurjchem-2551	72	5	displacement	displacement	ADJ
eurjchem-2551	72	6	ellipsoids	ellipsoid	NOUN
eurjchem-2551	72	7	of	of	ADP
eurjchem-2551	72	8	crystal	crystal	NOUN
eurjchem-2551	72	9	structures	structure	NOUN
eurjchem-2551	72	10	drawn	draw	VERB
eurjchem-2551	72	11	with	with	ADP
eurjchem-2551	72	12	ortep	ortep	NOUN
eurjchem-2551	72	13	iii	iii	NOUN
eurjchem-2551	73	1	[	[	X
eurjchem-2551	73	2	19	19	NUM
eurjchem-2551	73	3	]	]	PUNCT
eurjchem-2551	73	4	were	be	AUX
eurjchem-2551	73	5	depicted	depict	VERB
eurjchem-2551	73	6	at	at	ADP
eurjchem-2551	73	7	the	the	DET
eurjchem-2551	73	8	30	30	NUM
eurjchem-2551	73	9	%	%	NOUN
eurjchem-2551	73	10	probability	probability	NOUN
eurjchem-2551	73	11	level	level	NOUN
eurjchem-2551	73	12	for	for	ADP
eurjchem-2551	73	13	clarity	clarity	NOUN
eurjchem-2551	73	14	(	(	PUNCT
eurjchem-2551	73	15	figures	figure	NOUN
eurjchem-2551	73	16	1	1	NUM
eurjchem-2551	73	17	and	and	CCONJ
eurjchem-2551	73	18	2	2	NUM
eurjchem-2551	73	19	)	)	PUNCT
eurjchem-2551	73	20	.	.	PUNCT
eurjchem-2551	74	1	2.4	2.4	NUM
eurjchem-2551	74	2	.	.	PUNCT
eurjchem-2551	75	1	computational	computational	ADJ
eurjchem-2551	75	2	procedures	procedure	NOUN
eurjchem-2551	75	3	the	the	DET
eurjchem-2551	75	4	ground	ground	NOUN
eurjchem-2551	75	5	-	-	PUNCT
eurjchem-2551	75	6	state	state	NOUN
eurjchem-2551	75	7	geometry	geometry	NOUN
eurjchem-2551	75	8	of	of	ADP
eurjchem-2551	75	9	title	title	NOUN
eurjchem-2551	75	10	compounds	compound	VERB
eurjchem-2551	76	1	i	i	PRON
eurjchem-2551	76	2	and	and	CCONJ
eurjchem-2551	76	3	ii	ii	PROPN
eurjchem-2551	76	4	that	that	PRON
eurjchem-2551	76	5	are	be	AUX
eurjchem-2551	76	6	taken	take	VERB
eurjchem-2551	76	7	from	from	ADP
eurjchem-2551	76	8	the	the	DET
eurjchem-2551	76	9	crystal	crystal	NOUN
eurjchem-2551	76	10	structure	structure	NOUN
eurjchem-2551	76	11	was	be	AUX
eurjchem-2551	76	12	optimized	optimize	VERB
eurjchem-2551	76	13	using	use	VERB
eurjchem-2551	76	14	the	the	DET
eurjchem-2551	76	15	standard	standard	ADJ
eurjchem-2551	76	16	density	density	NOUN
eurjchem-2551	76	17	functional	functional	ADJ
eurjchem-2551	76	18	theory	theory	NOUN
eurjchem-2551	76	19	(	(	PUNCT
eurjchem-2551	76	20	dft	dft	PROPN
eurjchem-2551	76	21	)	)	PUNCT
eurjchem-2551	76	22	[	[	X
eurjchem-2551	76	23	20	20	NUM
eurjchem-2551	76	24	]	]	SYM
eurjchem-2551	76	25	level	level	NOUN
eurjchem-2551	76	26	of	of	ADP
eurjchem-2551	76	27	b3lyp	b3lyp	NOUN
eurjchem-2551	77	1	[	[	X
eurjchem-2551	77	2	21	21	NUM
eurjchem-2551	77	3	]	]	PUNCT
eurjchem-2551	77	4	with	with	ADP
eurjchem-2551	77	5	a	a	DET
eurjchem-2551	77	6	basis	basis	NOUN
eurjchem-2551	77	7	set	set	NOUN
eurjchem-2551	77	8	6	6	NUM
eurjchem-2551	77	9	-	-	SYM
eurjchem-2551	77	10	311g(d	311g(d	NUM
eurjchem-2551	77	11	,	,	PUNCT
eurjchem-2551	77	12	p	p	NOUN
eurjchem-2551	77	13	)	)	PUNCT
eurjchem-2551	78	1	[	[	X
eurjchem-2551	78	2	22	22	NUM
eurjchem-2551	78	3	]	]	PUNCT
eurjchem-2551	78	4	using	use	VERB
eurjchem-2551	78	5	the	the	DET
eurjchem-2551	78	6	gaussian	gaussian	ADJ
eurjchem-2551	78	7	09	09	NUM
eurjchem-2551	78	8	program	program	NOUN
eurjchem-2551	78	9	[	[	X
eurjchem-2551	78	10	23	23	NUM
eurjchem-2551	78	11	]	]	PUNCT
eurjchem-2551	78	12	.	.	PUNCT
eurjchem-2551	79	1	after	after	ADP
eurjchem-2551	79	2	optimization	optimization	NOUN
eurjchem-2551	79	3	,	,	PUNCT
eurjchem-2551	79	4	quantum	quantum	ADJ
eurjchem-2551	79	5	chemical	chemical	NOUN
eurjchem-2551	79	6	calculations	calculation	NOUN
eurjchem-2551	79	7	were	be	AUX
eurjchem-2551	79	8	made	make	VERB
eurjchem-2551	79	9	and	and	CCONJ
eurjchem-2551	79	10	a	a	DET
eurjchem-2551	79	11	mep	mep	PROPN
eurjchem-2551	79	12	surface	surface	NOUN
eurjchem-2551	79	13	map	map	NOUN
eurjchem-2551	80	1	[	[	X
eurjchem-2551	80	2	24	24	NUM
eurjchem-2551	80	3	]	]	PUNCT
eurjchem-2551	80	4	was	be	AUX
eurjchem-2551	80	5	obtained	obtain	VERB
eurjchem-2551	80	6	.	.	PUNCT
eurjchem-2551	81	1	thus	thus	ADV
eurjchem-2551	81	2	,	,	PUNCT
eurjchem-2551	81	3	from	from	ADP
eurjchem-2551	81	4	the	the	DET
eurjchem-2551	81	5	results	result	NOUN
eurjchem-2551	81	6	of	of	ADP
eurjchem-2551	81	7	the	the	DET
eurjchem-2551	81	8	mep	mep	PROPN
eurjchem-2551	81	9	map	map	NOUN
eurjchem-2551	81	10	,	,	PUNCT
eurjchem-2551	81	11	the	the	DET
eurjchem-2551	81	12	chemical	chemical	NOUN
eurjchem-2551	81	13	reactivity	reactivity	NOUN
eurjchem-2551	81	14	of	of	ADP
eurjchem-2551	81	15	the	the	DET
eurjchem-2551	81	16	compound	compound	NOUN
eurjchem-2551	81	17	could	could	AUX
eurjchem-2551	81	18	be	be	AUX
eurjchem-2551	81	19	easily	easily	ADV
eurjchem-2551	81	20	estimated	estimate	VERB
eurjchem-2551	81	21	.	.	PUNCT
eurjchem-2551	82	1	additionally	additionally	ADV
eurjchem-2551	82	2	,	,	PUNCT
eurjchem-2551	82	3	the	the	DET
eurjchem-2551	82	4	homo	homo	NOUN
eurjchem-2551	82	5	-	-	PUNCT
eurjchem-2551	82	6	lumo	lumo	NOUN
eurjchem-2551	82	7	gaps	gap	NOUN
eurjchem-2551	82	8	and	and	CCONJ
eurjchem-2551	82	9	the	the	DET
eurjchem-2551	82	10	ft	ft	PROPN
eurjchem-2551	82	11	-	-	PUNCT
eurjchem-2551	82	12	ir	ir	PROPN
eurjchem-2551	82	13	spectrum	spectrum	NOUN
eurjchem-2551	82	14	were	be	AUX
eurjchem-2551	82	15	calculated	calculate	VERB
eurjchem-2551	82	16	on	on	ADP
eurjchem-2551	82	17	the	the	DET
eurjchem-2551	82	18	same	same	ADJ
eurjchem-2551	82	19	basis	basis	NOUN
eurjchem-2551	82	20	set	set	NOUN
eurjchem-2551	82	21	.	.	PUNCT
eurjchem-2551	83	1	the	the	DET
eurjchem-2551	83	2	calculated	calculated	ADJ
eurjchem-2551	83	3	vibrational	vibrational	ADJ
eurjchem-2551	83	4	frequencies	frequency	NOUN
eurjchem-2551	83	5	of	of	ADP
eurjchem-2551	83	6	the	the	DET
eurjchem-2551	83	7	optimized	optimize	VERB
eurjchem-2551	83	8	molecular	molecular	ADJ
eurjchem-2551	83	9	structure	structure	NOUN
eurjchem-2551	83	10	were	be	AUX
eurjchem-2551	83	11	then	then	ADV
eurjchem-2551	83	12	scaled	scale	VERB
eurjchem-2551	83	13	by	by	ADP
eurjchem-2551	83	14	0.962	0.962	NUM
eurjchem-2551	83	15	[	[	X
eurjchem-2551	83	16	25	25	NUM
eurjchem-2551	83	17	]	]	PUNCT
eurjchem-2551	83	18	for	for	ADP
eurjchem-2551	83	19	dft	dft	PROPN
eurjchem-2551	83	20	.	.	PUNCT
eurjchem-2551	84	1	the	the	DET
eurjchem-2551	84	2	vibrational	vibrational	ADJ
eurjchem-2551	84	3	band	band	NOUN
eurjchem-2551	84	4	assignments	assignment	NOUN
eurjchem-2551	84	5	were	be	AUX
eurjchem-2551	84	6	performed	perform	VERB
eurjchem-2551	84	7	using	use	VERB
eurjchem-2551	84	8	the	the	DET
eurjchem-2551	84	9	gauss	gauss	ADJ
eurjchem-2551	84	10	-	-	PUNCT
eurjchem-2551	84	11	view	view	NOUN
eurjchem-2551	84	12	molecular	molecular	ADJ
eurjchem-2551	84	13	visualization	visualization	NOUN
eurjchem-2551	84	14	program	program	NOUN
eurjchem-2551	84	15	[	[	X
eurjchem-2551	84	16	26	26	NUM
eurjchem-2551	84	17	]	]	PUNCT
eurjchem-2551	84	18	.	.	PUNCT
eurjchem-2551	85	1	3	3	X
eurjchem-2551	85	2	.	.	NOUN
eurjchem-2551	85	3	results	result	NOUN
eurjchem-2551	85	4	and	and	CCONJ
eurjchem-2551	85	5	discussion	discussion	NOUN
eurjchem-2551	85	6	3.1	3.1	NUM
eurjchem-2551	85	7	.	.	PUNCT
eurjchem-2551	86	1	description	description	NOUN
eurjchem-2551	86	2	of	of	ADP
eurjchem-2551	86	3	the	the	DET
eurjchem-2551	86	4	crystal	crystal	NOUN
eurjchem-2551	86	5	structure	structure	NOUN
eurjchem-2551	86	6	as	as	SCONJ
eurjchem-2551	86	7	shown	show	VERB
eurjchem-2551	86	8	in	in	ADP
eurjchem-2551	86	9	figures	figure	NOUN
eurjchem-2551	86	10	1	1	NUM
eurjchem-2551	86	11	and	and	CCONJ
eurjchem-2551	86	12	2	2	NUM
eurjchem-2551	86	13	,	,	PUNCT
eurjchem-2551	86	14	the	the	DET
eurjchem-2551	86	15	crystals	crystal	NOUN
eurjchem-2551	86	16	of	of	ADP
eurjchem-2551	86	17	compounds	compound	NOUN
eurjchem-2551	86	18	i	i	PRON
eurjchem-2551	86	19	and	and	CCONJ
eurjchem-2551	86	20	ii	ii	PROPN
eurjchem-2551	86	21	crystallize	crystallize	VERB
eurjchem-2551	86	22	in	in	ADP
eurjchem-2551	86	23	the	the	DET
eurjchem-2551	86	24	monoclinic	monoclinic	ADJ
eurjchem-2551	86	25	space	space	NOUN
eurjchem-2551	86	26	group	group	NOUN
eurjchem-2551	86	27	p21	p21	PROPN
eurjchem-2551	86	28	/	/	SYM
eurjchem-2551	86	29	n	n	PROPN
eurjchem-2551	86	30	and	and	CCONJ
eurjchem-2551	86	31	the	the	DET
eurjchem-2551	86	32	orthorhombic	orthorhombic	ADJ
eurjchem-2551	86	33	space	space	NOUN
eurjchem-2551	86	34	group	group	NOUN
eurjchem-2551	86	35	pbca	pbca	PROPN
eurjchem-2551	86	36	,	,	PUNCT
eurjchem-2551	86	37	respectively	respectively	ADV
eurjchem-2551	86	38	,	,	PUNCT
eurjchem-2551	86	39	with	with	ADP
eurjchem-2551	86	40	z	z	NOUN
eurjchem-2551	86	41	=	=	NOUN
eurjchem-2551	86	42	8	8	NUM
eurjchem-2551	86	43	.	.	PUNCT
eurjchem-2551	87	1	both	both	DET
eurjchem-2551	87	2	molecules	molecule	NOUN
eurjchem-2551	87	3	have	have	VERB
eurjchem-2551	87	4	thiourea	thiourea	NOUN
eurjchem-2551	87	5	,	,	PUNCT
eurjchem-2551	87	6	2,4,6	2,4,6	NOUN
eurjchem-2551	87	7	-	-	PUNCT
eurjchem-2551	87	8	tribromophenyl	tribromophenyl	ADJ
eurjchem-2551	87	9	and	and	CCONJ
eurjchem-2551	87	10	phenyl	phenyl	NOUN
eurjchem-2551	87	11	groups	group	NOUN
eurjchem-2551	87	12	in	in	ADP
eurjchem-2551	87	13	common	common	ADJ
eurjchem-2551	87	14	.	.	PUNCT
eurjchem-2551	88	1	the	the	DET
eurjchem-2551	88	2	torsion	torsion	NOUN
eurjchem-2551	88	3	angles	angle	NOUN
eurjchem-2551	88	4	between	between	ADP
eurjchem-2551	88	5	the	the	DET
eurjchem-2551	88	6	2,4,6tribromophenyl	2,4,6tribromophenyl	NUM
eurjchem-2551	88	7	and	and	CCONJ
eurjchem-2551	88	8	thiourea	thiourea	NOUN
eurjchem-2551	88	9	groups	group	NOUN
eurjchem-2551	88	10	in	in	ADP
eurjchem-2551	88	11	the	the	DET
eurjchem-2551	88	12	title	title	NOUN
eurjchem-2551	88	13	compounds	compound	NOUN
eurjchem-2551	88	14	are	be	AUX
eurjchem-2551	88	15	96.2	96.2	NUM
eurjchem-2551	88	16	and	and	CCONJ
eurjchem-2551	88	17	84.0	84.0	NUM
eurjchem-2551	88	18	°	°	NOUN
eurjchem-2551	88	19	,	,	PUNCT
eurjchem-2551	88	20	respectively	respectively	ADV
eurjchem-2551	88	21	.	.	PUNCT
eurjchem-2551	89	1	in	in	ADP
eurjchem-2551	89	2	compound	compound	NOUN
eurjchem-2551	89	3	i	i	PRON
eurjchem-2551	89	4	,	,	PUNCT
eurjchem-2551	89	5	the	the	DET
eurjchem-2551	89	6	molecular	molecular	ADJ
eurjchem-2551	89	7	packing	packing	NOUN
eurjchem-2551	89	8	contains	contain	VERB
eurjchem-2551	89	9	three	three	NUM
eurjchem-2551	89	10	different	different	ADJ
eurjchem-2551	89	11	types	type	NOUN
eurjchem-2551	89	12	of	of	ADP
eurjchem-2551	89	13	hydrogen	hydrogen	NOUN
eurjchem-2551	89	14	bonds	bond	NOUN
eurjchem-2551	89	15	between	between	ADP
eurjchem-2551	89	16	c	c	NOUN
eurjchem-2551	89	17	-	-	PUNCT
eurjchem-2551	89	18	h···br	h···br	PROPN
eurjchem-2551	89	19	,	,	PUNCT
eurjchem-2551	89	20	n	n	CCONJ
eurjchem-2551	89	21	-	-	PUNCT
eurjchem-2551	89	22	h···o	h···o	PROPN
eurjchem-2551	89	23	,	,	PUNCT
eurjchem-2551	89	24	and	and	CCONJ
eurjchem-2551	89	25	n	n	CCONJ
eurjchem-2551	89	26	-	-	PUNCT
eurjchem-2551	89	27	h···s	h···s	NOUN
eurjchem-2551	89	28	atoms	atom	NOUN
eurjchem-2551	89	29	,	,	PUNCT
eurjchem-2551	89	30	which	which	PRON
eurjchem-2551	89	31	are	be	AUX
eurjchem-2551	89	32	tabulated	tabulate	VERB
eurjchem-2551	89	33	in	in	ADP
eurjchem-2551	89	34	table	table	NOUN
eurjchem-2551	89	35	4	4	NUM
eurjchem-2551	89	36	.	.	PUNCT
eurjchem-2551	90	1	the	the	DET
eurjchem-2551	90	2	n	n	PRON
eurjchem-2551	90	3	atom	atom	NOUN
eurjchem-2551	90	4	of	of	ADP
eurjchem-2551	90	5	the	the	DET
eurjchem-2551	90	6	thiourea	thiourea	NOUN
eurjchem-2551	90	7	group	group	NOUN
eurjchem-2551	90	8	acts	act	VERB
eurjchem-2551	90	9	as	as	ADP
eurjchem-2551	90	10	a	a	DET
eurjchem-2551	90	11	donor	donor	NOUN
eurjchem-2551	90	12	atom	atom	NOUN
eurjchem-2551	90	13	to	to	ADP
eurjchem-2551	90	14	the	the	DET
eurjchem-2551	90	15	benzoyl	benzoyl	ADJ
eurjchem-2551	90	16	oxygen	oxygen	NOUN
eurjchem-2551	90	17	atom	atom	NOUN
eurjchem-2551	90	18	with	with	ADP
eurjchem-2551	90	19	the	the	DET
eurjchem-2551	90	20	donor	donor	NOUN
eurjchem-2551	90	21	acceptor	acceptor	NOUN
eurjchem-2551	90	22	distance	distance	NOUN
eurjchem-2551	90	23	3.273	3.273	NUM
eurjchem-2551	90	24	å	å	NOUN
eurjchem-2551	90	25	and	and	CCONJ
eurjchem-2551	90	26	symmetry	symmetry	NOUN
eurjchem-2551	90	27	code	code	NOUN
eurjchem-2551	90	28	(	(	PUNCT
eurjchem-2551	90	29	x	x	X
eurjchem-2551	90	30	,	,	PUNCT
eurjchem-2551	90	31	+	+	NOUN
eurjchem-2551	90	32	y	y	PROPN
eurjchem-2551	90	33	,	,	PUNCT
eurjchem-2551	90	34	+	+	NOUN
eurjchem-2551	90	35	z-1	z-1	NOUN
eurjchem-2551	90	36	)	)	PUNCT
eurjchem-2551	90	37	.	.	PUNCT
eurjchem-2551	91	1	the	the	DET
eurjchem-2551	91	2	other	other	ADJ
eurjchem-2551	91	3	n	n	PRON
eurjchem-2551	91	4	atom	atom	NOUN
eurjchem-2551	91	5	of	of	ADP
eurjchem-2551	91	6	the	the	DET
eurjchem-2551	91	7	same	same	ADJ
eurjchem-2551	91	8	thiourea	thiourea	NOUN
eurjchem-2551	91	9	group	group	NOUN
eurjchem-2551	91	10	also	also	ADV
eurjchem-2551	91	11	acts	act	VERB
eurjchem-2551	91	12	as	as	ADP
eurjchem-2551	91	13	a	a	DET
eurjchem-2551	91	14	donor	donor	NOUN
eurjchem-2551	91	15	to	to	ADP
eurjchem-2551	91	16	the	the	DET
eurjchem-2551	91	17	thiourea	thiourea	NOUN
eurjchem-2551	91	18	group	group	NOUN
eurjchem-2551	91	19	s	s	PART
eurjchem-2551	91	20	atom	atom	NOUN
eurjchem-2551	91	21	with	with	ADP
eurjchem-2551	91	22	the	the	DET
eurjchem-2551	91	23	donor	donor	NOUN
eurjchem-2551	91	24	acceptor	acceptor	NOUN
eurjchem-2551	91	25	distance	distance	NOUN
eurjchem-2551	91	26	3.353	3.353	NUM
eurjchem-2551	91	27	å	å	PROPN
eurjchem-2551	91	28	and	and	CCONJ
eurjchem-2551	91	29	the	the	DET
eurjchem-2551	91	30	symmetry	symmetry	NOUN
eurjchem-2551	91	31	code	code	NOUN
eurjchem-2551	91	32	(	(	PUNCT
eurjchem-2551	91	33	x	x	X
eurjchem-2551	91	34	,	,	PUNCT
eurjchem-2551	91	35	+	+	NOUN
eurjchem-2551	91	36	y	y	PROPN
eurjchem-2551	91	37	,	,	PUNCT
eurjchem-2551	91	38	+	+	NOUN
eurjchem-2551	91	39	z+1	z+1	NUM
eurjchem-2551	91	40	)	)	PUNCT
eurjchem-2551	91	41	.	.	PUNCT
eurjchem-2551	92	1	the	the	DET
eurjchem-2551	92	2	combination	combination	NOUN
eurjchem-2551	92	3	of	of	ADP
eurjchem-2551	92	4	these	these	DET
eurjchem-2551	92	5	hydrogen	hydrogen	NOUN
eurjchem-2551	92	6	bonds	bond	NOUN
eurjchem-2551	92	7	generates	generate	VERB
eurjchem-2551	92	8	an	an	DET
eurjchem-2551	92	9	r22(10	r22(10	NOUN
eurjchem-2551	92	10	)	)	PUNCT
eurjchem-2551	92	11	ring	ring	NOUN
eurjchem-2551	92	12	running	run	VERB
eurjchem-2551	92	13	parallel	parallel	NOUN
eurjchem-2551	92	14	to	to	ADP
eurjchem-2551	92	15	[	[	X
eurjchem-2551	92	16	001	001	NUM
eurjchem-2551	92	17	]	]	PUNCT
eurjchem-2551	92	18	,	,	PUNCT
eurjchem-2551	92	19	figure	figure	NOUN
eurjchem-2551	92	20	3	3	NUM
eurjchem-2551	92	21	.	.	PUNCT
eurjchem-2551	92	22	similarly	similarly	ADV
eurjchem-2551	92	23	to	to	PART
eurjchem-2551	92	24	compound	compound	VERB
eurjchem-2551	92	25	i	i	PRON
eurjchem-2551	92	26	,	,	PUNCT
eurjchem-2551	92	27	compound	compound	PROPN
eurjchem-2551	92	28	ii	ii	PROPN
eurjchem-2551	92	29	has	have	VERB
eurjchem-2551	92	30	a	a	DET
eurjchem-2551	92	31	n	n	CCONJ
eurjchem-2551	92	32	-	-	PUNCT
eurjchem-2551	92	33	h···s	h···s	NOUN
eurjchem-2551	92	34	type	type	NOUN
eurjchem-2551	92	35	hydrogen	hydrogen	NOUN
eurjchem-2551	92	36	bonding	bonding	NOUN
eurjchem-2551	92	37	with	with	ADP
eurjchem-2551	92	38	donor	donor	NOUN
eurjchem-2551	92	39	acceptor	acceptor	NOUN
eurjchem-2551	92	40	distance	distance	NOUN
eurjchem-2551	92	41	3.616	3.616	NUM
eurjchem-2551	92	42	å	å	NOUN
eurjchem-2551	92	43	and	and	CCONJ
eurjchem-2551	92	44	symmetry	symmetry	PROPN
eurjchem-2551	92	45	code	code	PROPN
eurjchem-2551	92	46	(	(	PUNCT
eurjchem-2551	92	47	-x+1	-x+1	PROPN
eurjchem-2551	92	48	,	,	PUNCT
eurjchem-2551	92	49	-y+2	-y+2	PROPN
eurjchem-2551	92	50	,	,	PUNCT
eurjchem-2551	92	51	-z+1	-z+1	PROPN
eurjchem-2551	92	52	)	)	PUNCT
eurjchem-2551	92	53	.	.	PUNCT
eurjchem-2551	93	1	this	this	DET
eurjchem-2551	93	2	bonding	bonding	NOUN
eurjchem-2551	93	3	generates	generate	VERB
eurjchem-2551	93	4	the	the	DET
eurjchem-2551	93	5	r11(8	r11(8	PROPN
eurjchem-2551	93	6	)	)	PUNCT
eurjchem-2551	93	7	ring	ring	NOUN
eurjchem-2551	93	8	running	run	VERB
eurjchem-2551	93	9	parallel	parallel	NOUN
eurjchem-2551	93	10	to	to	ADP
eurjchem-2551	93	11	[	[	X
eurjchem-2551	93	12	100	100	NUM
eurjchem-2551	93	13	]	]	PUNCT
eurjchem-2551	93	14	.	.	PUNCT
eurjchem-2551	94	1	furthermore	furthermore	ADV
eurjchem-2551	94	2	,	,	PUNCT
eurjchem-2551	94	3	there	there	PRON
eurjchem-2551	94	4	is	be	VERB
eurjchem-2551	94	5	an	an	DET
eurjchem-2551	94	6	intramolecular	intramolecular	ADJ
eurjchem-2551	94	7	hydrogen	hydrogen	NOUN
eurjchem-2551	94	8	bond	bond	NOUN
eurjchem-2551	94	9	between	between	ADP
eurjchem-2551	94	10	the	the	DET
eurjchem-2551	94	11	thiourea	thiourea	NOUN
eurjchem-2551	94	12	n	n	PRON
eurjchem-2551	94	13	atom	atom	NOUN
eurjchem-2551	94	14	and	and	CCONJ
eurjchem-2551	94	15	the	the	DET
eurjchem-2551	94	16	benzoyl	benzoyl	ADJ
eurjchem-2551	94	17	o	o	NOUN
eurjchem-2551	94	18	atom	atom	NOUN
eurjchem-2551	94	19	,	,	PUNCT
eurjchem-2551	94	20	as	as	SCONJ
eurjchem-2551	94	21	seen	see	VERB
eurjchem-2551	94	22	in	in	ADP
eurjchem-2551	94	23	table	table	NOUN
eurjchem-2551	94	24	4	4	NUM
eurjchem-2551	94	25	and	and	CCONJ
eurjchem-2551	94	26	figure	figure	VERB
eurjchem-2551	94	27	4	4	NUM
eurjchem-2551	94	28	.	.	NOUN
eurjchem-2551	94	29	3.2	3.2	NUM
eurjchem-2551	94	30	.	.	PUNCT
eurjchem-2551	95	1	spectral	spectral	ADJ
eurjchem-2551	95	2	analysis	analysis	NOUN
eurjchem-2551	95	3	3.2.1	3.2.1	NUM
eurjchem-2551	95	4	.	.	PUNCT
eurjchem-2551	96	1	vibrational	vibrational	ADJ
eurjchem-2551	96	2	spectra	spectra	NOUN
eurjchem-2551	96	3	the	the	DET
eurjchem-2551	96	4	analysis	analysis	NOUN
eurjchem-2551	96	5	of	of	ADP
eurjchem-2551	96	6	the	the	DET
eurjchem-2551	96	7	experimental	experimental	ADJ
eurjchem-2551	96	8	spectra	spectra	NOUN
eurjchem-2551	96	9	of	of	ADP
eurjchem-2551	96	10	compounds	compound	NOUN
eurjchem-2551	96	11	i	i	PRON
eurjchem-2551	96	12	and	and	CCONJ
eurjchem-2551	96	13	ii	ii	PROPN
eurjchem-2551	96	14	was	be	AUX
eurjchem-2551	96	15	supported	support	VERB
eurjchem-2551	96	16	by	by	ADP
eurjchem-2551	96	17	theoretical	theoretical	ADJ
eurjchem-2551	96	18	calculations	calculation	NOUN
eurjchem-2551	96	19	using	use	VERB
eurjchem-2551	96	20	the	the	DET
eurjchem-2551	96	21	b3lyp/6	b3lyp/6	NOUN
eurjchem-2551	96	22	-	-	NOUN
eurjchem-2551	96	23	311g(d	311g(d	NUM
eurjchem-2551	96	24	,	,	PUNCT
eurjchem-2551	96	25	p	p	NOUN
eurjchem-2551	96	26	)	)	PUNCT
eurjchem-2551	96	27	level	level	NOUN
eurjchem-2551	96	28	of	of	ADP
eurjchem-2551	96	29	approximation	approximation	NOUN
eurjchem-2551	96	30	(	(	PUNCT
eurjchem-2551	96	31	figures	figure	NOUN
eurjchem-2551	96	32	5	5	NUM
eurjchem-2551	96	33	and	and	CCONJ
eurjchem-2551	96	34	6	6	NUM
eurjchem-2551	96	35	)	)	PUNCT
eurjchem-2551	96	36	.	.	PUNCT
eurjchem-2551	97	1	in	in	ADP
eurjchem-2551	97	2	addition	addition	NOUN
eurjchem-2551	97	3	,	,	PUNCT
eurjchem-2551	97	4	some	some	DET
eurjchem-2551	97	5	vibration	vibration	NOUN
eurjchem-2551	97	6	modes	mode	NOUN
eurjchem-2551	97	7	expected	expect	VERB
eurjchem-2551	97	8	for	for	ADP
eurjchem-2551	97	9	compounds	compound	NOUN
eurjchem-2551	97	10	i	i	PRON
eurjchem-2551	97	11	and	and	CCONJ
eurjchem-2551	97	12	ii	ii	PROPN
eurjchem-2551	97	13	of	of	ADP
eurjchem-2551	97	14	the	the	DET
eurjchem-2551	97	15	title	title	NOUN
eurjchem-2551	97	16	are	be	AUX
eurjchem-2551	97	17	presented	present	VERB
eurjchem-2551	97	18	in	in	ADP
eurjchem-2551	97	19	table	table	NOUN
eurjchem-2551	97	20	5	5	NUM
eurjchem-2551	97	21	.	.	PUNCT
eurjchem-2551	98	1	the	the	DET
eurjchem-2551	98	2	n	n	NUM
eurjchem-2551	98	3	-	-	PUNCT
eurjchem-2551	98	4	h	h	NOUN
eurjchem-2551	98	5	stretching	stretch	VERB
eurjchem-2551	98	6	vibrations	vibration	NOUN
eurjchem-2551	98	7	generally	generally	ADV
eurjchem-2551	98	8	appear	appear	VERB
eurjchem-2551	98	9	in	in	ADP
eurjchem-2551	98	10	3300	3300	NUM
eurjchem-2551	98	11	-	-	SYM
eurjchem-2551	98	12	3500	3500	NUM
eurjchem-2551	98	13	cm-1	cm-1	X
eurjchem-2551	99	1	[	[	X
eurjchem-2551	99	2	27,28	27,28	X
eurjchem-2551	99	3	]	]	X
eurjchem-2551	99	4	.	.	PUNCT
eurjchem-2551	100	1	in	in	ADP
eurjchem-2551	100	2	the	the	DET
eurjchem-2551	100	3	ir	ir	PROPN
eurjchem-2551	100	4	spectrum	spectrum	NOUN
eurjchem-2551	100	5	,	,	PUNCT
eurjchem-2551	100	6	the	the	DET
eurjchem-2551	100	7	stretching	stretch	VERB
eurjchem-2551	100	8	vibrations	vibration	NOUN
eurjchem-2551	100	9	of	of	ADP
eurjchem-2551	100	10	the	the	DET
eurjchem-2551	100	11	amide	amide	NOUN
eurjchem-2551	100	12	group	group	NOUN
eurjchem-2551	100	13	observed	observe	VERB
eurjchem-2551	100	14	at	at	ADP
eurjchem-2551	100	15	3255	3255	NUM
eurjchem-2551	100	16	and	and	CCONJ
eurjchem-2551	100	17	3413	3413	NUM
eurjchem-2551	100	18	cm-1	cm-1	PRON
eurjchem-2551	100	19	are	be	AUX
eurjchem-2551	100	20	assigned	assign	VERB
eurjchem-2551	100	21	to	to	ADP
eurjchem-2551	100	22	the	the	DET
eurjchem-2551	100	23	nh	nh	PROPN
eurjchem-2551	100	24	stretching	stretch	VERB
eurjchem-2551	100	25	mode	mode	NOUN
eurjchem-2551	100	26	of	of	ADP
eurjchem-2551	100	27	compounds	compound	NOUN
eurjchem-2551	100	28	i	i	PRON
eurjchem-2551	100	29	and	and	CCONJ
eurjchem-2551	100	30	ii	ii	PROPN
eurjchem-2551	100	31	,	,	PUNCT
eurjchem-2551	100	32	respectively	respectively	ADV
eurjchem-2551	100	33	[	[	X
eurjchem-2551	100	34	29	29	NUM
eurjchem-2551	100	35	]	]	PUNCT
eurjchem-2551	100	36	.	.	PUNCT
eurjchem-2551	101	1	158	158	NUM
eurjchem-2551	101	2	arslan	arslan	NOUN
eurjchem-2551	101	3	and	and	CCONJ
eurjchem-2551	101	4	aydin	aydin	PROPN
eurjchem-2551	101	5	/	/	SYM
eurjchem-2551	101	6	european	european	ADJ
eurjchem-2551	101	7	journal	journal	PROPN
eurjchem-2551	101	8	of	of	ADP
eurjchem-2551	101	9	chemistry	chemistry	NOUN
eurjchem-2551	101	10	15	15	NUM
eurjchem-2551	101	11	(	(	PUNCT
eurjchem-2551	101	12	2	2	NUM
eurjchem-2551	101	13	)	)	PUNCT
eurjchem-2551	101	14	(	(	PUNCT
eurjchem-2551	101	15	2024	2024	NUM
eurjchem-2551	101	16	)	)	PUNCT
eurjchem-2551	101	17	155	155	NUM
eurjchem-2551	101	18	-	-	SYM
eurjchem-2551	101	19	165	165	NUM
eurjchem-2551	101	20	2024	2024	NUM
eurjchem-2551	101	21	–	–	PUNCT
eurjchem-2551	101	22	european	european	ADJ
eurjchem-2551	101	23	journal	journal	NOUN
eurjchem-2551	101	24	of	of	ADP
eurjchem-2551	101	25	chemistry	chemistry	NOUN
eurjchem-2551	101	26	–	–	PUNCT
eurjchem-2551	101	27	cc	cc	NOUN
eurjchem-2551	101	28	by	by	ADP
eurjchem-2551	101	29	nc	nc	PROPN
eurjchem-2551	101	30	–	–	PUNCT
eurjchem-2551	101	31	doi	doi	PROPN
eurjchem-2551	101	32	:	:	PUNCT
eurjchem-2551	101	33	10.5155	10.5155	NUM
eurjchem-2551	101	34	/	/	SYM
eurjchem-2551	101	35	eurjchem.15.2.155	eurjchem.15.2.155	NOUN
eurjchem-2551	101	36	-	-	SYM
eurjchem-2551	101	37	165.2551	165.2551	NUM
eurjchem-2551	101	38	table	table	NOUN
eurjchem-2551	101	39	2	2	NUM
eurjchem-2551	101	40	.	.	PUNCT
eurjchem-2551	101	41	bond	bond	NOUN
eurjchem-2551	101	42	lengths	length	NOUN
eurjchem-2551	101	43	and	and	CCONJ
eurjchem-2551	101	44	angles	angle	NOUN
eurjchem-2551	101	45	for	for	ADP
eurjchem-2551	101	46	compound	compound	NOUN
eurjchem-2551	101	47	i.	i.	PROPN
eurjchem-2551	101	48	atom	atom	PROPN
eurjchem-2551	101	49	atom	atom	NOUN
eurjchem-2551	101	50	length	length	NOUN
eurjchem-2551	101	51	(	(	PUNCT
eurjchem-2551	101	52	å	å	NOUN
eurjchem-2551	101	53	)	)	PUNCT
eurjchem-2551	101	54	atom	atom	NOUN
eurjchem-2551	101	55	atom	atom	NOUN
eurjchem-2551	101	56	length	length	NOUN
eurjchem-2551	101	57	(	(	PUNCT
eurjchem-2551	101	58	å	å	NOUN
eurjchem-2551	101	59	)	)	PUNCT
eurjchem-2551	101	60	c1	c1	PROPN
eurjchem-2551	101	61	c2	c2	PROPN
eurjchem-2551	101	62	1.392(18	1.392(18	NUM
eurjchem-2551	101	63	)	)	PUNCT
eurjchem-2551	101	64	c15	c15	PROPN
eurjchem-2551	101	65	c16	c16	PROPN
eurjchem-2551	101	66	1.309(19	1.309(19	NUM
eurjchem-2551	101	67	)	)	PUNCT
eurjchem-2551	102	1	c1	c1	PROPN
eurjchem-2551	102	2	c6	c6	PROPN
eurjchem-2551	102	3	1.409(19	1.409(19	NUM
eurjchem-2551	102	4	)	)	PUNCT
eurjchem-2551	102	5	c15	c15	PROPN
eurjchem-2551	102	6	c20	c20	PROPN
eurjchem-2551	102	7	1.42(2	1.42(2	PROPN
eurjchem-2551	102	8	)	)	PUNCT
eurjchem-2551	102	9	c1	c1	PROPN
eurjchem-2551	102	10	br1	br1	PROPN
eurjchem-2551	102	11	1.859(13	1.859(13	PROPN
eurjchem-2551	102	12	)	)	PUNCT
eurjchem-2551	102	13	c15	c15	PROPN
eurjchem-2551	102	14	br4	br4	PROPN
eurjchem-2551	102	15	1.889(15	1.889(15	NUM
eurjchem-2551	102	16	)	)	PUNCT
eurjchem-2551	103	1	c2	c2	PROPN
eurjchem-2551	103	2	c3	c3	PROPN
eurjchem-2551	103	3	1.37(2	1.37(2	NUM
eurjchem-2551	103	4	)	)	PUNCT
eurjchem-2551	103	5	c16	c16	PROPN
eurjchem-2551	103	6	c17	c17	NOUN
eurjchem-2551	103	7	1.38(2	1.38(2	NUM
eurjchem-2551	103	8	)	)	PUNCT
eurjchem-2551	103	9	c3	c3	PROPN
eurjchem-2551	103	10	c4	c4	PROPN
eurjchem-2551	103	11	1.423(19	1.423(19	PROPN
eurjchem-2551	103	12	)	)	PUNCT
eurjchem-2551	103	13	c17	c17	NOUN
eurjchem-2551	103	14	c18	c18	NOUN
eurjchem-2551	103	15	1.36(2	1.36(2	NUM
eurjchem-2551	103	16	)	)	PUNCT
eurjchem-2551	103	17	c3	c3	PROPN
eurjchem-2551	103	18	br2	br2	PROPN
eurjchem-2551	103	19	1.887(14	1.887(14	NUM
eurjchem-2551	103	20	)	)	PUNCT
eurjchem-2551	103	21	c17	c17	NOUN
eurjchem-2551	103	22	br5	br5	PROPN
eurjchem-2551	103	23	1.882(14	1.882(14	NUM
eurjchem-2551	103	24	)	)	PUNCT
eurjchem-2551	103	25	c4	c4	NOUN
eurjchem-2551	103	26	c5	c5	PROPN
eurjchem-2551	103	27	1.418(17	1.418(17	NUM
eurjchem-2551	103	28	)	)	PUNCT
eurjchem-2551	103	29	c18	c18	NOUN
eurjchem-2551	103	30	c19	c19	PROPN
eurjchem-2551	103	31	1.416(18	1.416(18	NUM
eurjchem-2551	103	32	)	)	PUNCT
eurjchem-2551	104	1	c5	c5	PROPN
eurjchem-2551	104	2	c6	c6	PROPN
eurjchem-2551	104	3	1.34(2	1.34(2	NUM
eurjchem-2551	104	4	)	)	PUNCT
eurjchem-2551	104	5	c19	c19	NOUN
eurjchem-2551	104	6	c20	c20	PROPN
eurjchem-2551	104	7	1.38(2	1.38(2	NUM
eurjchem-2551	104	8	)	)	PUNCT
eurjchem-2551	104	9	c5	c5	PROPN
eurjchem-2551	104	10	br3	br3	PROPN
eurjchem-2551	104	11	1.854(14	1.854(14	NUM
eurjchem-2551	104	12	)	)	PUNCT
eurjchem-2551	104	13	c19	c19	NOUN
eurjchem-2551	104	14	br6	br6	NOUN
eurjchem-2551	104	15	1.900(14	1.900(14	NUM
eurjchem-2551	104	16	)	)	PUNCT
eurjchem-2551	104	17	c6	c6	PROPN
eurjchem-2551	104	18	n1	n1	PROPN
eurjchem-2551	104	19	1.421(17	1.421(17	NUM
eurjchem-2551	104	20	)	)	PUNCT
eurjchem-2551	104	21	c20	c20	NOUN
eurjchem-2551	104	22	n3	n3	PROPN
eurjchem-2551	104	23	1.448(16	1.448(16	NUM
eurjchem-2551	104	24	)	)	PUNCT
eurjchem-2551	104	25	c7	c7	PROPN
eurjchem-2551	104	26	n1	n1	PROPN
eurjchem-2551	104	27	1.336(19	1.336(19	NUM
eurjchem-2551	104	28	)	)	PUNCT
eurjchem-2551	104	29	c21	c21	PROPN
eurjchem-2551	104	30	n3	n3	PROPN
eurjchem-2551	104	31	1.309(18	1.309(18	NUM
eurjchem-2551	104	32	)	)	PUNCT
eurjchem-2551	104	33	c7	c7	PROPN
eurjchem-2551	104	34	n2	n2	PROPN
eurjchem-2551	104	35	1.414(17	1.414(17	NUM
eurjchem-2551	104	36	)	)	PUNCT
eurjchem-2551	104	37	c21	c21	PROPN
eurjchem-2551	104	38	n4	n4	PROPN
eurjchem-2551	104	39	1.430(16	1.430(16	PROPN
eurjchem-2551	104	40	)	)	PUNCT
eurjchem-2551	104	41	c7	c7	PROPN
eurjchem-2551	104	42	s1	s1	PROPN
eurjchem-2551	104	43	1.643(16	1.643(16	NUM
eurjchem-2551	104	44	)	)	PUNCT
eurjchem-2551	104	45	c21	c21	NOUN
eurjchem-2551	104	46	s2	s2	PROPN
eurjchem-2551	104	47	1.643(15	1.643(15	X
eurjchem-2551	104	48	)	)	PUNCT
eurjchem-2551	104	49	c8	c8	PROPN
eurjchem-2551	104	50	c9	c9	PROPN
eurjchem-2551	104	51	1.478(19	1.478(19	NUM
eurjchem-2551	104	52	)	)	PUNCT
eurjchem-2551	104	53	c22	c22	PROPN
eurjchem-2551	104	54	c23	c23	PROPN
eurjchem-2551	104	55	1.505(19	1.505(19	NUM
eurjchem-2551	104	56	)	)	PUNCT
eurjchem-2551	104	57	c8	c8	PROPN
eurjchem-2551	104	58	n2	n2	PROPN
eurjchem-2551	104	59	1.367(19	1.367(19	NUM
eurjchem-2551	104	60	)	)	PUNCT
eurjchem-2551	104	61	c22	c22	PROPN
eurjchem-2551	104	62	n4	n4	PROPN
eurjchem-2551	104	63	1.341(19	1.341(19	PROPN
eurjchem-2551	104	64	)	)	PUNCT
eurjchem-2551	104	65	c8	c8	PROPN
eurjchem-2551	104	66	o1	o1	PROPN
eurjchem-2551	104	67	1.219(18	1.219(18	NUM
eurjchem-2551	104	68	)	)	PUNCT
eurjchem-2551	104	69	c22	c22	NOUN
eurjchem-2551	104	70	o2	o2	PROPN
eurjchem-2551	104	71	1.222(18	1.222(18	NUM
eurjchem-2551	104	72	)	)	PUNCT
eurjchem-2551	104	73	c9	c9	NOUN
eurjchem-2551	104	74	c10	c10	VERB
eurjchem-2551	104	75	1.41(2	1.41(2	NUM
eurjchem-2551	104	76	)	)	PUNCT
eurjchem-2551	104	77	c23	c23	PROPN
eurjchem-2551	104	78	c24	c24	PROPN
eurjchem-2551	104	79	1.40(2	1.40(2	PROPN
eurjchem-2551	104	80	)	)	PUNCT
eurjchem-2551	104	81	c9	c9	NOUN
eurjchem-2551	104	82	c14	c14	PROPN
eurjchem-2551	104	83	1.35(2	1.35(2	NUM
eurjchem-2551	104	84	)	)	PUNCT
eurjchem-2551	104	85	c23	c23	PROPN
eurjchem-2551	104	86	c28	c28	PROPN
eurjchem-2551	104	87	1.36(2	1.36(2	NUM
eurjchem-2551	104	88	)	)	PUNCT
eurjchem-2551	104	89	c10	c10	PROPN
eurjchem-2551	104	90	c11	c11	PROPN
eurjchem-2551	104	91	1.42(2	1.42(2	NUM
eurjchem-2551	104	92	)	)	PUNCT
eurjchem-2551	104	93	c24	c24	PROPN
eurjchem-2551	104	94	c25	c25	PROPN
eurjchem-2551	104	95	1.40(2	1.40(2	PROPN
eurjchem-2551	104	96	)	)	PUNCT
eurjchem-2551	104	97	c11	c11	NOUN
eurjchem-2551	104	98	c12	c12	PROPN
eurjchem-2551	104	99	1.42(3	1.42(3	NUM
eurjchem-2551	104	100	)	)	PUNCT
eurjchem-2551	104	101	c25	c25	PROPN
eurjchem-2551	104	102	c26	c26	NOUN
eurjchem-2551	104	103	1.37(3	1.37(3	NUM
eurjchem-2551	104	104	)	)	PUNCT
eurjchem-2551	104	105	c12	c12	PROPN
eurjchem-2551	104	106	c13	c13	PROPN
eurjchem-2551	104	107	1.22(3	1.22(3	NUM
eurjchem-2551	104	108	)	)	PUNCT
eurjchem-2551	104	109	c26	c26	NOUN
eurjchem-2551	104	110	c27	c27	PROPN
eurjchem-2551	104	111	1.32(3	1.32(3	PROPN
eurjchem-2551	104	112	)	)	PUNCT
eurjchem-2551	104	113	c13	c13	PROPN
eurjchem-2551	104	114	c14	c14	PROPN
eurjchem-2551	104	115	1.42(3	1.42(3	NUM
eurjchem-2551	104	116	)	)	PUNCT
eurjchem-2551	104	117	c27	c27	PROPN
eurjchem-2551	104	118	c28	c28	PROPN
eurjchem-2551	104	119	1.39(2	1.39(2	NUM
eurjchem-2551	104	120	)	)	PUNCT
eurjchem-2551	104	121	atom	atom	NOUN
eurjchem-2551	104	122	atom	atom	NOUN
eurjchem-2551	104	123	atom	atom	NOUN
eurjchem-2551	104	124	angle	angle	NOUN
eurjchem-2551	104	125	(	(	PUNCT
eurjchem-2551	104	126	°	°	NOUN
eurjchem-2551	104	127	)	)	PUNCT
eurjchem-2551	104	128	atom	atom	NOUN
eurjchem-2551	104	129	atom	atom	NOUN
eurjchem-2551	104	130	atom	atom	NOUN
eurjchem-2551	104	131	angle	angle	NOUN
eurjchem-2551	104	132	(	(	PUNCT
eurjchem-2551	104	133	°	°	PROPN
eurjchem-2551	104	134	)	)	PUNCT
eurjchem-2551	104	135	c2	c2	PROPN
eurjchem-2551	104	136	c1	c1	PROPN
eurjchem-2551	104	137	c6	c6	PROPN
eurjchem-2551	104	138	119.4(13	119.4(13	PROPN
eurjchem-2551	104	139	)	)	PUNCT
eurjchem-2551	104	140	c20	c20	NOUN
eurjchem-2551	104	141	c15	c15	PROPN
eurjchem-2551	104	142	br4	br4	PROPN
eurjchem-2551	104	143	117.6(10	117.6(10	PROPN
eurjchem-2551	104	144	)	)	PUNCT
eurjchem-2551	104	145	c2	c2	PROPN
eurjchem-2551	104	146	c1	c1	PROPN
eurjchem-2551	104	147	br1	br1	PROPN
eurjchem-2551	104	148	118.3(11	118.3(11	PROPN
eurjchem-2551	104	149	)	)	PUNCT
eurjchem-2551	104	150	c15	c15	PROPN
eurjchem-2551	104	151	c16	c16	PROPN
eurjchem-2551	104	152	c17	c17	PROPN
eurjchem-2551	104	153	121.7(15	121.7(15	PROPN
eurjchem-2551	104	154	)	)	PUNCT
eurjchem-2551	104	155	c6	c6	PROPN
eurjchem-2551	104	156	c1	c1	PROPN
eurjchem-2551	104	157	br1	br1	PROPN
eurjchem-2551	104	158	122.2(10	122.2(10	PROPN
eurjchem-2551	104	159	)	)	PUNCT
eurjchem-2551	104	160	c16	c16	PROPN
eurjchem-2551	104	161	c17	c17	PROPN
eurjchem-2551	104	162	br5	br5	PROPN
eurjchem-2551	104	163	120.6(12	120.6(12	PROPN
eurjchem-2551	104	164	)	)	PUNCT
eurjchem-2551	105	1	c3	c3	PROPN
eurjchem-2551	105	2	c2	c2	PROPN
eurjchem-2551	105	3	c1	c1	PROPN
eurjchem-2551	105	4	119.7(13	119.7(13	PROPN
eurjchem-2551	105	5	)	)	PUNCT
eurjchem-2551	105	6	c18	c18	NOUN
eurjchem-2551	105	7	c17	c17	PROPN
eurjchem-2551	105	8	c16	c16	PROPN
eurjchem-2551	105	9	119.9(13	119.9(13	PROPN
eurjchem-2551	105	10	)	)	PUNCT
eurjchem-2551	105	11	c2	c2	PROPN
eurjchem-2551	105	12	c3	c3	PROPN
eurjchem-2551	105	13	c4	c4	PROPN
eurjchem-2551	105	14	121.2(13	121.2(13	PROPN
eurjchem-2551	105	15	)	)	PUNCT
eurjchem-2551	105	16	c18	c18	NOUN
eurjchem-2551	105	17	c17	c17	PROPN
eurjchem-2551	105	18	br5	br5	PROPN
eurjchem-2551	105	19	119.5(11	119.5(11	PROPN
eurjchem-2551	105	20	)	)	PUNCT
eurjchem-2551	105	21	c2	c2	PROPN
eurjchem-2551	105	22	c3	c3	PROPN
eurjchem-2551	105	23	br2	br2	PROPN
eurjchem-2551	105	24	121.0(11	121.0(11	PROPN
eurjchem-2551	106	1	)	)	PUNCT
eurjchem-2551	106	2	c17	c17	NOUN
eurjchem-2551	106	3	c18	c18	PROPN
eurjchem-2551	106	4	c19	c19	PROPN
eurjchem-2551	106	5	118.7(14	118.7(14	PROPN
eurjchem-2551	106	6	)	)	PUNCT
eurjchem-2551	106	7	c4	c4	NOUN
eurjchem-2551	106	8	c3	c3	PROPN
eurjchem-2551	106	9	br2	br2	PROPN
eurjchem-2551	106	10	117.8(10	117.8(10	PROPN
eurjchem-2551	106	11	)	)	PUNCT
eurjchem-2551	106	12	c18	c18	NOUN
eurjchem-2551	106	13	c19	c19	PROPN
eurjchem-2551	106	14	br6	br6	PROPN
eurjchem-2551	106	15	117.9(11	117.9(11	PROPN
eurjchem-2551	106	16	)	)	PUNCT
eurjchem-2551	106	17	c5	c5	PROPN
eurjchem-2551	106	18	c4	c4	PROPN
eurjchem-2551	106	19	c3	c3	PROPN
eurjchem-2551	106	20	117.8(12	117.8(12	PROPN
eurjchem-2551	106	21	)	)	PUNCT
eurjchem-2551	106	22	c20	c20	NOUN
eurjchem-2551	106	23	c19	c19	PROPN
eurjchem-2551	106	24	c18	c18	PROPN
eurjchem-2551	106	25	121.3(14	121.3(14	PROPN
eurjchem-2551	106	26	)	)	PUNCT
eurjchem-2551	106	27	c4	c4	NOUN
eurjchem-2551	106	28	c5	c5	PROPN
eurjchem-2551	106	29	br3	br3	PROPN
eurjchem-2551	106	30	116.8(10	116.8(10	PROPN
eurjchem-2551	106	31	)	)	PUNCT
eurjchem-2551	106	32	c20	c20	NOUN
eurjchem-2551	106	33	c19	c19	PROPN
eurjchem-2551	106	34	br6	br6	PROPN
eurjchem-2551	106	35	120.8(10	120.8(10	PROPN
eurjchem-2551	106	36	)	)	PUNCT
eurjchem-2551	106	37	c6	c6	PROPN
eurjchem-2551	106	38	c5	c5	PROPN
eurjchem-2551	106	39	c4	c4	PROPN
eurjchem-2551	106	40	120.4(13	120.4(13	PROPN
eurjchem-2551	106	41	)	)	PUNCT
eurjchem-2551	106	42	c15	c15	PROPN
eurjchem-2551	106	43	c20	c20	PROPN
eurjchem-2551	106	44	n3	n3	PROPN
eurjchem-2551	106	45	123.5(13	123.5(13	PROPN
eurjchem-2551	106	46	)	)	PUNCT
eurjchem-2551	106	47	c6	c6	PROPN
eurjchem-2551	106	48	c5	c5	PROPN
eurjchem-2551	106	49	br3	br3	PROPN
eurjchem-2551	106	50	122.8(10	122.8(10	PROPN
eurjchem-2551	106	51	)	)	PUNCT
eurjchem-2551	106	52	c19	c19	PROPN
eurjchem-2551	106	53	c20	c20	PROPN
eurjchem-2551	106	54	c15	c15	PROPN
eurjchem-2551	106	55	116.5(12	116.5(12	PROPN
eurjchem-2551	106	56	)	)	PUNCT
eurjchem-2551	106	57	c1	c1	PROPN
eurjchem-2551	106	58	c6	c6	PROPN
eurjchem-2551	106	59	n1	n1	PROPN
eurjchem-2551	106	60	119.1(13	119.1(13	NOUN
eurjchem-2551	106	61	)	)	PUNCT
eurjchem-2551	106	62	c19	c19	PROPN
eurjchem-2551	106	63	c20	c20	PROPN
eurjchem-2551	106	64	n3	n3	PROPN
eurjchem-2551	106	65	119.9(14	119.9(14	PROPN
eurjchem-2551	106	66	)	)	PUNCT
eurjchem-2551	106	67	c5	c5	PROPN
eurjchem-2551	106	68	c6	c6	PROPN
eurjchem-2551	106	69	c1	c1	PROPN
eurjchem-2551	106	70	121.5(12	121.5(12	PROPN
eurjchem-2551	106	71	)	)	PUNCT
eurjchem-2551	106	72	n3	n3	PROPN
eurjchem-2551	106	73	c21	c21	PROPN
eurjchem-2551	106	74	n4	n4	PROPN
eurjchem-2551	106	75	113.1(12	113.1(12	PROPN
eurjchem-2551	106	76	)	)	PUNCT
eurjchem-2551	106	77	c5	c5	PROPN
eurjchem-2551	106	78	c6	c6	PROPN
eurjchem-2551	106	79	n1	n1	PROPN
eurjchem-2551	106	80	119.3(13	119.3(13	PROPN
eurjchem-2551	106	81	)	)	PUNCT
eurjchem-2551	106	82	n3	n3	NOUN
eurjchem-2551	106	83	c21	c21	PROPN
eurjchem-2551	106	84	s2	s2	PROPN
eurjchem-2551	106	85	127.8(10	127.8(10	PROPN
eurjchem-2551	106	86	)	)	PUNCT
eurjchem-2551	106	87	n1	n1	PROPN
eurjchem-2551	106	88	c7	c7	PROPN
eurjchem-2551	106	89	n2	n2	PROPN
eurjchem-2551	106	90	115.0(13	115.0(13	PROPN
eurjchem-2551	106	91	)	)	PUNCT
eurjchem-2551	106	92	n4	n4	PROPN
eurjchem-2551	106	93	c21	c21	PROPN
eurjchem-2551	106	94	s2	s2	PROPN
eurjchem-2551	106	95	119.0(11	119.0(11	PROPN
eurjchem-2551	106	96	)	)	PUNCT
eurjchem-2551	106	97	n1	n1	PROPN
eurjchem-2551	106	98	c7	c7	PROPN
eurjchem-2551	106	99	s1	s1	PROPN
eurjchem-2551	106	100	125.2(11	125.2(11	PROPN
eurjchem-2551	106	101	)	)	PUNCT
eurjchem-2551	107	1	n4	n4	PROPN
eurjchem-2551	107	2	c22	c22	PROPN
eurjchem-2551	107	3	c23	c23	PROPN
eurjchem-2551	107	4	116.8(14	116.8(14	PROPN
eurjchem-2551	107	5	)	)	PUNCT
eurjchem-2551	107	6	n2	n2	NOUN
eurjchem-2551	107	7	c7	c7	PROPN
eurjchem-2551	107	8	s1	s1	PROPN
eurjchem-2551	107	9	119.8(12	119.8(12	PROPN
eurjchem-2551	107	10	)	)	PUNCT
eurjchem-2551	107	11	o2	o2	PROPN
eurjchem-2551	107	12	c22	c22	PROPN
eurjchem-2551	107	13	c23	c23	PROPN
eurjchem-2551	107	14	120.5(14	120.5(14	PROPN
eurjchem-2551	107	15	)	)	PUNCT
eurjchem-2551	107	16	n2	n2	PROPN
eurjchem-2551	107	17	c8	c8	PROPN
eurjchem-2551	107	18	c9	c9	PROPN
eurjchem-2551	107	19	115.7(15	115.7(15	PROPN
eurjchem-2551	107	20	)	)	PUNCT
eurjchem-2551	107	21	o2	o2	PROPN
eurjchem-2551	107	22	c22	c22	PROPN
eurjchem-2551	107	23	n4	n4	PROPN
eurjchem-2551	107	24	122.7(13	122.7(13	PROPN
eurjchem-2551	107	25	)	)	PUNCT
eurjchem-2551	107	26	o1	o1	PROPN
eurjchem-2551	107	27	c8	c8	PROPN
eurjchem-2551	107	28	c9	c9	PROPN
eurjchem-2551	107	29	122.6(14	122.6(14	PROPN
eurjchem-2551	107	30	)	)	PUNCT
eurjchem-2551	107	31	c24	c24	PROPN
eurjchem-2551	107	32	c23	c23	PROPN
eurjchem-2551	107	33	c22	c22	PROPN
eurjchem-2551	107	34	121.7(14	121.7(14	PROPN
eurjchem-2551	107	35	)	)	PUNCT
eurjchem-2551	107	36	o1	o1	PROPN
eurjchem-2551	107	37	c8	c8	PROPN
eurjchem-2551	107	38	n2	n2	PROPN
eurjchem-2551	107	39	121.6(13	121.6(13	PROPN
eurjchem-2551	107	40	)	)	PUNCT
eurjchem-2551	107	41	c28	c28	NOUN
eurjchem-2551	107	42	c23	c23	PROPN
eurjchem-2551	107	43	c22	c22	PROPN
eurjchem-2551	107	44	119.5(15	119.5(15	PROPN
eurjchem-2551	107	45	)	)	PUNCT
eurjchem-2551	107	46	c10	c10	PROPN
eurjchem-2551	107	47	c9	c9	PROPN
eurjchem-2551	107	48	c8	c8	PROPN
eurjchem-2551	107	49	121.4(14	121.4(14	PROPN
eurjchem-2551	107	50	)	)	PUNCT
eurjchem-2551	107	51	c28	c28	NOUN
eurjchem-2551	107	52	c23	c23	PROPN
eurjchem-2551	107	53	c24	c24	PROPN
eurjchem-2551	107	54	118.2(14	118.2(14	PROPN
eurjchem-2551	107	55	)	)	PUNCT
eurjchem-2551	107	56	c14	c14	NOUN
eurjchem-2551	107	57	c9	c9	PROPN
eurjchem-2551	107	58	c8	c8	PROPN
eurjchem-2551	107	59	118.5(16	118.5(16	PROPN
eurjchem-2551	107	60	)	)	PUNCT
eurjchem-2551	107	61	c25	c25	PROPN
eurjchem-2551	107	62	c24	c24	PROPN
eurjchem-2551	107	63	c23	c23	PROPN
eurjchem-2551	107	64	118.7(18	118.7(18	PROPN
eurjchem-2551	107	65	)	)	PUNCT
eurjchem-2551	107	66	c14	c14	PROPN
eurjchem-2551	107	67	c9	c9	PROPN
eurjchem-2551	107	68	c10	c10	PROPN
eurjchem-2551	107	69	119.5(15	119.5(15	PROPN
eurjchem-2551	107	70	)	)	PUNCT
eurjchem-2551	107	71	c26	c26	PROPN
eurjchem-2551	107	72	c25	c25	PROPN
eurjchem-2551	107	73	c24	c24	PROPN
eurjchem-2551	107	74	119.5(19	119.5(19	PROPN
eurjchem-2551	107	75	)	)	PUNCT
eurjchem-2551	107	76	c9	c9	PROPN
eurjchem-2551	107	77	c10	c10	PROPN
eurjchem-2551	107	78	c11	c11	PROPN
eurjchem-2551	107	79	117.8(18	117.8(18	PROPN
eurjchem-2551	107	80	)	)	PUNCT
eurjchem-2551	107	81	c27	c27	PROPN
eurjchem-2551	107	82	c26	c26	PROPN
eurjchem-2551	107	83	c25	c25	PROPN
eurjchem-2551	107	84	121.9(17	121.9(17	PROPN
eurjchem-2551	107	85	)	)	PUNCT
eurjchem-2551	107	86	c10	c10	PROPN
eurjchem-2551	107	87	c11	c11	PROPN
eurjchem-2551	107	88	c12	c12	PROPN
eurjchem-2551	107	89	118(2	118(2	NUM
eurjchem-2551	107	90	)	)	PUNCT
eurjchem-2551	107	91	c26	c26	NOUN
eurjchem-2551	107	92	c27	c27	PROPN
eurjchem-2551	107	93	c28	c28	PROPN
eurjchem-2551	107	94	119.5(19	119.5(19	PROPN
eurjchem-2551	107	95	)	)	PUNCT
eurjchem-2551	107	96	c13	c13	PROPN
eurjchem-2551	107	97	c12	c12	PROPN
eurjchem-2551	107	98	c11	c11	PROPN
eurjchem-2551	107	99	122(2	122(2	NUM
eurjchem-2551	107	100	)	)	PUNCT
eurjchem-2551	107	101	c23	c23	PROPN
eurjchem-2551	107	102	c28	c28	PROPN
eurjchem-2551	107	103	c27	c27	PROPN
eurjchem-2551	107	104	121.7(19	121.7(19	PROPN
eurjchem-2551	107	105	)	)	PUNCT
eurjchem-2551	107	106	c12	c12	PROPN
eurjchem-2551	107	107	c13	c13	PROPN
eurjchem-2551	107	108	c14	c14	PROPN
eurjchem-2551	107	109	122(2	122(2	NUM
eurjchem-2551	107	110	)	)	PUNCT
eurjchem-2551	107	111	c7	c7	PROPN
eurjchem-2551	107	112	n1	n1	PROPN
eurjchem-2551	107	113	c6	c6	PROPN
eurjchem-2551	107	114	123.0(12	123.0(12	PROPN
eurjchem-2551	107	115	)	)	PUNCT
eurjchem-2551	107	116	c9	c9	PROPN
eurjchem-2551	107	117	c14	c14	PROPN
eurjchem-2551	107	118	c13	c13	PROPN
eurjchem-2551	107	119	120(2	120(2	NUM
eurjchem-2551	107	120	)	)	PUNCT
eurjchem-2551	107	121	c8	c8	PROPN
eurjchem-2551	107	122	n2	n2	PROPN
eurjchem-2551	107	123	c7	c7	PROPN
eurjchem-2551	107	124	129.5(13	129.5(13	PROPN
eurjchem-2551	107	125	)	)	PUNCT
eurjchem-2551	107	126	c16	c16	PROPN
eurjchem-2551	107	127	c15	c15	PROPN
eurjchem-2551	107	128	c20	c20	PROPN
eurjchem-2551	107	129	122.0(14	122.0(14	PROPN
eurjchem-2551	107	130	)	)	PUNCT
eurjchem-2551	107	131	c21	c21	PROPN
eurjchem-2551	107	132	n3	n3	PROPN
eurjchem-2551	107	133	c20	c20	PROPN
eurjchem-2551	107	134	122.2(12	122.2(12	PROPN
eurjchem-2551	107	135	)	)	PUNCT
eurjchem-2551	107	136	c16	c16	PROPN
eurjchem-2551	107	137	c15	c15	PROPN
eurjchem-2551	107	138	br4	br4	PROPN
eurjchem-2551	107	139	120.3(13	120.3(13	PROPN
eurjchem-2551	107	140	)	)	PUNCT
eurjchem-2551	107	141	c22	c22	PROPN
eurjchem-2551	107	142	n4	n4	PROPN
eurjchem-2551	107	143	c21	c21	PROPN
eurjchem-2551	107	144	129.4(13	129.4(13	PROPN
eurjchem-2551	107	145	)	)	PUNCT
eurjchem-2551	107	146	table	table	NOUN
eurjchem-2551	107	147	3	3	NUM
eurjchem-2551	107	148	.	.	PUNCT
eurjchem-2551	108	1	bond	bond	NOUN
eurjchem-2551	108	2	lengths	length	NOUN
eurjchem-2551	108	3	and	and	CCONJ
eurjchem-2551	108	4	angles	angle	NOUN
eurjchem-2551	108	5	for	for	ADP
eurjchem-2551	108	6	compound	compound	NOUN
eurjchem-2551	108	7	ii	ii	PROPN
eurjchem-2551	108	8	.	.	PUNCT
eurjchem-2551	109	1	atom	atom	NOUN
eurjchem-2551	109	2	atom	atom	NOUN
eurjchem-2551	109	3	length	length	NOUN
eurjchem-2551	109	4	(	(	PUNCT
eurjchem-2551	109	5	å	å	NOUN
eurjchem-2551	109	6	)	)	PUNCT
eurjchem-2551	109	7	atom	atom	NOUN
eurjchem-2551	109	8	atom	atom	NOUN
eurjchem-2551	109	9	length	length	NOUN
eurjchem-2551	109	10	(	(	PUNCT
eurjchem-2551	109	11	å	å	NOUN
eurjchem-2551	109	12	)	)	PUNCT
eurjchem-2551	109	13	c6	c6	PROPN
eurjchem-2551	109	14	c1	c1	PROPN
eurjchem-2551	109	15	1.40(3	1.40(3	NUM
eurjchem-2551	109	16	)	)	PUNCT
eurjchem-2551	109	17	c2	c2	PROPN
eurjchem-2551	109	18	c3	c3	PROPN
eurjchem-2551	109	19	1.36(3	1.36(3	NUM
eurjchem-2551	109	20	)	)	PUNCT
eurjchem-2551	109	21	c6	c6	PROPN
eurjchem-2551	109	22	c5	c5	PROPN
eurjchem-2551	109	23	1.40(3	1.40(3	NUM
eurjchem-2551	109	24	)	)	PUNCT
eurjchem-2551	109	25	c3	c3	PROPN
eurjchem-2551	109	26	c4	c4	NOUN
eurjchem-2551	109	27	1.38(3	1.38(3	NUM
eurjchem-2551	109	28	)	)	PUNCT
eurjchem-2551	109	29	c6	c6	PROPN
eurjchem-2551	109	30	c7	c7	PROPN
eurjchem-2551	109	31	1.46(3	1.46(3	PROPN
eurjchem-2551	109	32	)	)	PUNCT
eurjchem-2551	109	33	c3	c3	PROPN
eurjchem-2551	109	34	n1	n1	PROPN
eurjchem-2551	109	35	1.41(3	1.41(3	NUM
eurjchem-2551	109	36	)	)	PUNCT
eurjchem-2551	109	37	c13	c13	PROPN
eurjchem-2551	109	38	c14	c14	PROPN
eurjchem-2551	109	39	1.38(3	1.38(3	PROPN
eurjchem-2551	109	40	)	)	PUNCT
eurjchem-2551	109	41	c5	c5	PROPN
eurjchem-2551	109	42	c4	c4	PROPN
eurjchem-2551	109	43	1.35(3	1.35(3	NUM
eurjchem-2551	109	44	)	)	PUNCT
eurjchem-2551	109	45	c13	c13	PROPN
eurjchem-2551	109	46	c12	c12	PROPN
eurjchem-2551	109	47	1.38(3	1.38(3	PROPN
eurjchem-2551	109	48	)	)	PUNCT
eurjchem-2551	109	49	c7	c7	PROPN
eurjchem-2551	109	50	n2	n2	PROPN
eurjchem-2551	109	51	1.38(2	1.38(2	NUM
eurjchem-2551	109	52	)	)	PUNCT
eurjchem-2551	109	53	c8	c8	PROPN
eurjchem-2551	109	54	n3	n3	PROPN
eurjchem-2551	109	55	1.33(3	1.33(3	PROPN
eurjchem-2551	109	56	)	)	PUNCT
eurjchem-2551	109	57	c7	c7	PROPN
eurjchem-2551	109	58	o31	o31	PROPN
eurjchem-2551	109	59	1.22(2	1.22(2	NUM
eurjchem-2551	109	60	)	)	PUNCT
eurjchem-2551	109	61	c8	c8	PROPN
eurjchem-2551	109	62	n2	n2	PROPN
eurjchem-2551	109	63	1.37(3	1.37(3	NUM
eurjchem-2551	109	64	)	)	PUNCT
eurjchem-2551	109	65	c7	c7	PROPN
eurjchem-2551	109	66	o3	o3	PROPN
eurjchem-2551	109	67	1.22(2	1.22(2	NUM
eurjchem-2551	109	68	)	)	PUNCT
eurjchem-2551	109	69	c8	c8	PROPN
eurjchem-2551	109	70	s1	s1	PROPN
eurjchem-2551	109	71	1.66(2	1.66(2	NUM
eurjchem-2551	109	72	)	)	PUNCT
eurjchem-2551	109	73	c10	c10	PROPN
eurjchem-2551	109	74	c9	c9	PROPN
eurjchem-2551	109	75	1.39(3	1.39(3	NUM
eurjchem-2551	109	76	)	)	PUNCT
eurjchem-2551	109	77	c11	c11	NOUN
eurjchem-2551	109	78	c12	c12	PROPN
eurjchem-2551	109	79	1.37(3	1.37(3	NUM
eurjchem-2551	109	80	)	)	PUNCT
eurjchem-2551	109	81	c10	c10	PROPN
eurjchem-2551	109	82	br1	br1	PROPN
eurjchem-2551	109	83	1.89(2	1.89(2	PROPN
eurjchem-2551	109	84	)	)	PUNCT
eurjchem-2551	109	85	c11	c11	NOUN
eurjchem-2551	109	86	c10	c10	VERB
eurjchem-2551	109	87	1.38(3	1.38(3	PROPN
eurjchem-2551	109	88	)	)	PUNCT
eurjchem-2551	109	89	c9	c9	NOUN
eurjchem-2551	109	90	n3	n3	NOUN
eurjchem-2551	109	91	1.41(2	1.41(2	NUM
eurjchem-2551	109	92	)	)	PUNCT
eurjchem-2551	109	93	c14	c14	NOUN
eurjchem-2551	109	94	c9	c9	NOUN
eurjchem-2551	109	95	1.38(3	1.38(3	NUM
eurjchem-2551	109	96	)	)	PUNCT
eurjchem-2551	109	97	n1	n1	NOUN
eurjchem-2551	109	98	o2	o2	PROPN
eurjchem-2551	109	99	1.22(3	1.22(3	PROPN
eurjchem-2551	109	100	)	)	PUNCT
eurjchem-2551	109	101	c14	c14	NOUN
eurjchem-2551	109	102	br3	br3	PROPN
eurjchem-2551	109	103	1.90(2	1.90(2	NUM
eurjchem-2551	109	104	)	)	PUNCT
eurjchem-2551	109	105	n1	n1	PROPN
eurjchem-2551	109	106	o1	o1	NOUN
eurjchem-2551	109	107	1.19(2	1.19(2	NUM
eurjchem-2551	109	108	)	)	PUNCT
eurjchem-2551	109	109	c12	c12	NOUN
eurjchem-2551	109	110	br2	br2	PROPN
eurjchem-2551	109	111	1.91(2	1.91(2	NUM
eurjchem-2551	109	112	)	)	PUNCT
eurjchem-2551	109	113	o3	o3	PROPN
eurjchem-2551	109	114	o31	o31	PROPN
eurjchem-2551	109	115	0.00(5	0.00(5	NUM
eurjchem-2551	109	116	)	)	PUNCT
eurjchem-2551	109	117	c2	c2	PROPN
eurjchem-2551	109	118	c1	c1	PROPN
eurjchem-2551	109	119	1.40(3	1.40(3	NUM
eurjchem-2551	109	120	)	)	PUNCT
eurjchem-2551	109	121	atom	atom	NOUN
eurjchem-2551	109	122	atom	atom	NOUN
eurjchem-2551	109	123	atom	atom	NOUN
eurjchem-2551	109	124	angle	angle	NOUN
eurjchem-2551	109	125	(	(	PUNCT
eurjchem-2551	109	126	°	°	NOUN
eurjchem-2551	109	127	)	)	PUNCT
eurjchem-2551	109	128	atom	atom	NOUN
eurjchem-2551	109	129	atom	atom	NOUN
eurjchem-2551	109	130	atom	atom	NOUN
eurjchem-2551	109	131	angle	angle	NOUN
eurjchem-2551	109	132	(	(	PUNCT
eurjchem-2551	109	133	°	°	NOUN
eurjchem-2551	109	134	)	)	PUNCT
eurjchem-2551	109	135	c1	c1	PROPN
eurjchem-2551	109	136	c6	c6	PROPN
eurjchem-2551	109	137	c5	c5	PROPN
eurjchem-2551	109	138	117.9(19	117.9(19	PROPN
eurjchem-2551	109	139	)	)	PUNCT
eurjchem-2551	109	140	c5	c5	PROPN
eurjchem-2551	109	141	c4	c4	PROPN
eurjchem-2551	109	142	c3	c3	PROPN
eurjchem-2551	109	143	120(2	120(2	NUM
eurjchem-2551	109	144	)	)	PUNCT
eurjchem-2551	109	145	c1	c1	PROPN
eurjchem-2551	109	146	c6	c6	PROPN
eurjchem-2551	109	147	c7	c7	PROPN
eurjchem-2551	109	148	117.1(18	117.1(18	PROPN
eurjchem-2551	109	149	)	)	PUNCT
eurjchem-2551	109	150	n2	n2	PROPN
eurjchem-2551	109	151	c7	c7	PROPN
eurjchem-2551	109	152	c6	c6	PROPN
eurjchem-2551	109	153	118.4(17	118.4(17	PROPN
eurjchem-2551	109	154	)	)	PUNCT
eurjchem-2551	110	1	c5	c5	PROPN
eurjchem-2551	110	2	c6	c6	PROPN
eurjchem-2551	110	3	c7	c7	PROPN
eurjchem-2551	110	4	125.0(17	125.0(17	PROPN
eurjchem-2551	110	5	)	)	PUNCT
eurjchem-2551	110	6	o31	o31	PROPN
eurjchem-2551	110	7	c7	c7	PROPN
eurjchem-2551	110	8	c6	c6	PROPN
eurjchem-2551	110	9	119.8(18	119.8(18	PROPN
eurjchem-2551	110	10	)	)	PUNCT
eurjchem-2551	110	11	c14	c14	PROPN
eurjchem-2551	110	12	c13	c13	PROPN
eurjchem-2551	110	13	c12	c12	PROPN
eurjchem-2551	110	14	116(2	116(2	NUM
eurjchem-2551	110	15	)	)	PUNCT
eurjchem-2551	110	16	o3	o3	PROPN
eurjchem-2551	110	17	c7	c7	PROPN
eurjchem-2551	110	18	c6	c6	PROPN
eurjchem-2551	110	19	119.8(18	119.8(18	PROPN
eurjchem-2551	110	20	)	)	PUNCT
eurjchem-2551	110	21	n3	n3	PROPN
eurjchem-2551	110	22	c8	c8	PROPN
eurjchem-2551	110	23	n2	n2	PROPN
eurjchem-2551	110	24	115.4(19	115.4(19	PROPN
eurjchem-2551	110	25	)	)	PUNCT
eurjchem-2551	110	26	o31	o31	NOUN
eurjchem-2551	110	27	c7	c7	PROPN
eurjchem-2551	110	28	n2	n2	PROPN
eurjchem-2551	110	29	121.8(18	121.8(18	PROPN
eurjchem-2551	110	30	)	)	PUNCT
eurjchem-2551	110	31	n3	n3	PROPN
eurjchem-2551	110	32	c8	c8	PROPN
eurjchem-2551	110	33	s1	s1	PROPN
eurjchem-2551	110	34	123.7(17	123.7(17	PROPN
eurjchem-2551	110	35	)	)	PUNCT
eurjchem-2551	110	36	o3	o3	PROPN
eurjchem-2551	110	37	c7	c7	PROPN
eurjchem-2551	110	38	n2	n2	PROPN
eurjchem-2551	110	39	121.8(18	121.8(18	PROPN
eurjchem-2551	110	40	)	)	PUNCT
eurjchem-2551	110	41	n2	n2	ADJ
eurjchem-2551	110	42	c8	c8	PROPN
eurjchem-2551	110	43	s1	s1	PROPN
eurjchem-2551	110	44	120.9(18	120.9(18	PROPN
eurjchem-2551	110	45	)	)	PUNCT
eurjchem-2551	110	46	o31	o31	NOUN
eurjchem-2551	110	47	c7	c7	PROPN
eurjchem-2551	110	48	o3	o3	PROPN
eurjchem-2551	110	49	0(2	0(2	NUM
eurjchem-2551	110	50	)	)	PUNCT
eurjchem-2551	110	51	c12	c12	PROPN
eurjchem-2551	110	52	c11	c11	PROPN
eurjchem-2551	110	53	c10	c10	PROPN
eurjchem-2551	110	54	118(2	118(2	NUM
eurjchem-2551	110	55	)	)	PUNCT
eurjchem-2551	110	56	c11	c11	NOUN
eurjchem-2551	110	57	c10	c10	PROPN
eurjchem-2551	110	58	c9	c9	PROPN
eurjchem-2551	110	59	122(2	122(2	NUM
eurjchem-2551	110	60	)	)	PUNCT
eurjchem-2551	110	61	c13	c13	PROPN
eurjchem-2551	110	62	c14	c14	PROPN
eurjchem-2551	110	63	c9	c9	PROPN
eurjchem-2551	110	64	124.3(19	124.3(19	PROPN
eurjchem-2551	110	65	)	)	PUNCT
eurjchem-2551	110	66	c11	c11	PROPN
eurjchem-2551	110	67	c10	c10	PROPN
eurjchem-2551	110	68	br1	br1	PROPN
eurjchem-2551	110	69	120.0(17	120.0(17	PROPN
eurjchem-2551	110	70	)	)	PUNCT
eurjchem-2551	110	71	c13	c13	PROPN
eurjchem-2551	110	72	c14	c14	PROPN
eurjchem-2551	110	73	br3	br3	PROPN
eurjchem-2551	110	74	115.9(17	115.9(17	PROPN
eurjchem-2551	110	75	)	)	PUNCT
eurjchem-2551	110	76	c9	c9	PROPN
eurjchem-2551	110	77	c10	c10	PROPN
eurjchem-2551	110	78	br1	br1	PROPN
eurjchem-2551	110	79	118.3(15	118.3(15	PROPN
eurjchem-2551	110	80	)	)	PUNCT
eurjchem-2551	110	81	arslan	arslan	NOUN
eurjchem-2551	110	82	and	and	CCONJ
eurjchem-2551	110	83	aydin	aydin	PROPN
eurjchem-2551	110	84	/	/	SYM
eurjchem-2551	110	85	european	european	ADJ
eurjchem-2551	110	86	journal	journal	PROPN
eurjchem-2551	110	87	of	of	ADP
eurjchem-2551	110	88	chemistry	chemistry	NOUN
eurjchem-2551	110	89	15	15	NUM
eurjchem-2551	110	90	(	(	PUNCT
eurjchem-2551	110	91	2	2	NUM
eurjchem-2551	110	92	)	)	PUNCT
eurjchem-2551	110	93	(	(	PUNCT
eurjchem-2551	110	94	2024	2024	NUM
eurjchem-2551	110	95	)	)	PUNCT
eurjchem-2551	110	96	155	155	NUM
eurjchem-2551	110	97	-	-	SYM
eurjchem-2551	110	98	165	165	NUM
eurjchem-2551	110	99	159	159	NUM
eurjchem-2551	110	100	2024	2024	NUM
eurjchem-2551	110	101	–	–	PUNCT
eurjchem-2551	110	102	european	european	ADJ
eurjchem-2551	110	103	journal	journal	NOUN
eurjchem-2551	110	104	of	of	ADP
eurjchem-2551	110	105	chemistry	chemistry	NOUN
eurjchem-2551	110	106	–	–	PUNCT
eurjchem-2551	110	107	cc	cc	NOUN
eurjchem-2551	110	108	by	by	ADP
eurjchem-2551	110	109	nc	nc	PROPN
eurjchem-2551	110	110	–	–	PUNCT
eurjchem-2551	110	111	doi	doi	PROPN
eurjchem-2551	110	112	:	:	PUNCT
eurjchem-2551	110	113	10.5155	10.5155	NUM
eurjchem-2551	110	114	/	/	SYM
eurjchem-2551	110	115	eurjchem.15.2.155	eurjchem.15.2.155	NOUN
eurjchem-2551	110	116	-	-	SYM
eurjchem-2551	110	117	165.2551	165.2551	NUM
eurjchem-2551	110	118	table	table	NOUN
eurjchem-2551	110	119	3	3	NUM
eurjchem-2551	110	120	.	.	PUNCT
eurjchem-2551	110	121	(	(	PUNCT
eurjchem-2551	110	122	continued	continue	VERB
eurjchem-2551	110	123	)	)	PUNCT
eurjchem-2551	110	124	.	.	PUNCT
eurjchem-2551	111	1	atom	atom	NOUN
eurjchem-2551	111	2	atom	atom	NOUN
eurjchem-2551	111	3	atom	atom	NOUN
eurjchem-2551	111	4	angle	angle	NOUN
eurjchem-2551	111	5	(	(	PUNCT
eurjchem-2551	111	6	°	°	NOUN
eurjchem-2551	111	7	)	)	PUNCT
eurjchem-2551	111	8	atom	atom	NOUN
eurjchem-2551	111	9	atom	atom	NOUN
eurjchem-2551	111	10	atom	atom	NOUN
eurjchem-2551	111	11	angle	angle	NOUN
eurjchem-2551	111	12	(	(	PUNCT
eurjchem-2551	111	13	°	°	PROPN
eurjchem-2551	111	14	)	)	PUNCT
eurjchem-2551	111	15	c9	c9	NOUN
eurjchem-2551	111	16	c14	c14	PROPN
eurjchem-2551	111	17	br3	br3	PROPN
eurjchem-2551	111	18	119.8(15	119.8(15	PROPN
eurjchem-2551	111	19	)	)	PUNCT
eurjchem-2551	111	20	c14	c14	PROPN
eurjchem-2551	111	21	c9	c9	PROPN
eurjchem-2551	111	22	c10	c10	PROPN
eurjchem-2551	111	23	116.5(18	116.5(18	PROPN
eurjchem-2551	111	24	)	)	PUNCT
eurjchem-2551	111	25	c13	c13	PROPN
eurjchem-2551	111	26	c12	c12	PROPN
eurjchem-2551	111	27	br2	br2	PROPN
eurjchem-2551	111	28	120.0(16	120.0(16	PROPN
eurjchem-2551	111	29	)	)	PUNCT
eurjchem-2551	111	30	c14	c14	PROPN
eurjchem-2551	111	31	c9	c9	PROPN
eurjchem-2551	111	32	n3	n3	PROPN
eurjchem-2551	111	33	119.6(17	119.6(17	PROPN
eurjchem-2551	111	34	)	)	PUNCT
eurjchem-2551	111	35	c11	c11	NOUN
eurjchem-2551	111	36	c12	c12	PROPN
eurjchem-2551	111	37	c13	c13	PROPN
eurjchem-2551	111	38	122.7(19	122.7(19	PROPN
eurjchem-2551	111	39	)	)	PUNCT
eurjchem-2551	111	40	c10	c10	PROPN
eurjchem-2551	111	41	c9	c9	PROPN
eurjchem-2551	111	42	n3	n3	PROPN
eurjchem-2551	111	43	123.6(17	123.6(17	PROPN
eurjchem-2551	111	44	)	)	PUNCT
eurjchem-2551	111	45	c11	c11	NOUN
eurjchem-2551	111	46	c12	c12	PROPN
eurjchem-2551	111	47	br2	br2	PROPN
eurjchem-2551	111	48	117.3(16	117.3(16	PROPN
eurjchem-2551	111	49	)	)	PUNCT
eurjchem-2551	111	50	o2	o2	PROPN
eurjchem-2551	111	51	n1	n1	PROPN
eurjchem-2551	111	52	c3	c3	NOUN
eurjchem-2551	111	53	120(2	120(2	NUM
eurjchem-2551	111	54	)	)	PUNCT
eurjchem-2551	111	55	c3	c3	PROPN
eurjchem-2551	111	56	c2	c2	PROPN
eurjchem-2551	111	57	c1	c1	PROPN
eurjchem-2551	111	58	120(2	120(2	NUM
eurjchem-2551	111	59	)	)	PUNCT
eurjchem-2551	111	60	o1	o1	NOUN
eurjchem-2551	111	61	n1	n1	NOUN
eurjchem-2551	111	62	c3	c3	PROPN
eurjchem-2551	111	63	122(2	122(2	NUM
eurjchem-2551	111	64	)	)	PUNCT
eurjchem-2551	111	65	c6	c6	PROPN
eurjchem-2551	111	66	c1	c1	PROPN
eurjchem-2551	111	67	c2	c2	PROPN
eurjchem-2551	111	68	120(2	120(2	NUM
eurjchem-2551	111	69	)	)	PUNCT
eurjchem-2551	111	70	o1	o1	NOUN
eurjchem-2551	111	71	n1	n1	ADJ
eurjchem-2551	111	72	o2	o2	PROPN
eurjchem-2551	111	73	118.8(19	118.8(19	PROPN
eurjchem-2551	111	74	)	)	PUNCT
eurjchem-2551	111	75	c2	c2	PROPN
eurjchem-2551	111	76	c3	c3	PROPN
eurjchem-2551	111	77	c4	c4	PROPN
eurjchem-2551	111	78	120.5(19	120.5(19	PROPN
eurjchem-2551	111	79	)	)	PUNCT
eurjchem-2551	111	80	c8	c8	PROPN
eurjchem-2551	111	81	n3	n3	PROPN
eurjchem-2551	111	82	c9	c9	PROPN
eurjchem-2551	111	83	123.8(17	123.8(17	PROPN
eurjchem-2551	111	84	)	)	PUNCT
eurjchem-2551	111	85	c2	c2	PROPN
eurjchem-2551	111	86	c3	c3	PROPN
eurjchem-2551	111	87	n1	n1	PROPN
eurjchem-2551	111	88	118.0(19	118.0(19	PROPN
eurjchem-2551	111	89	)	)	PUNCT
eurjchem-2551	111	90	c8	c8	PROPN
eurjchem-2551	111	91	n2	n2	PROPN
eurjchem-2551	111	92	c7	c7	PROPN
eurjchem-2551	111	93	127.7(18	127.7(18	PROPN
eurjchem-2551	111	94	)	)	PUNCT
eurjchem-2551	111	95	c4	c4	NOUN
eurjchem-2551	111	96	c3	c3	PROPN
eurjchem-2551	111	97	n1	n1	PROPN
eurjchem-2551	111	98	121(2	121(2	NUM
eurjchem-2551	111	99	)	)	PUNCT
eurjchem-2551	111	100	o31	o31	NOUN
eurjchem-2551	111	101	o3	o3	PROPN
eurjchem-2551	111	102	c7	c7	PROPN
eurjchem-2551	111	103	0(10	0(10	PROPN
eurjchem-2551	111	104	)	)	PUNCT
eurjchem-2551	111	105	c4	c4	NOUN
eurjchem-2551	111	106	c5	c5	PROPN
eurjchem-2551	111	107	c6	c6	PROPN
eurjchem-2551	111	108	121(2	121(2	NUM
eurjchem-2551	111	109	)	)	SYM
eurjchem-2551	111	110	1	1	NUM
eurjchem-2551	111	111	symmetry	symmetry	NOUN
eurjchem-2551	111	112	code	code	NOUN
eurjchem-2551	111	113	:	:	PUNCT
eurjchem-2551	112	1	+	+	ADJ
eurjchem-2551	112	2	x	x	X
eurjchem-2551	112	3	,	,	PUNCT
eurjchem-2551	112	4	+	+	NOUN
eurjchem-2551	112	5	y	y	PROPN
eurjchem-2551	112	6	,	,	PUNCT
eurjchem-2551	112	7	+	+	NOUN
eurjchem-2551	112	8	z.	z.	PROPN
eurjchem-2551	112	9	table	table	NOUN
eurjchem-2551	112	10	4	4	NUM
eurjchem-2551	112	11	.	.	PUNCT
eurjchem-2551	112	12	hydrogen	hydrogen	NOUN
eurjchem-2551	112	13	bonds	bond	NOUN
eurjchem-2551	112	14	for	for	ADP
eurjchem-2551	112	15	compound	compound	NOUN
eurjchem-2551	112	16	i	i	PROPN
eurjchem-2551	112	17	and	and	CCONJ
eurjchem-2551	112	18	ii	ii	PROPN
eurjchem-2551	112	19	.	.	PUNCT
eurjchem-2551	113	1	compound	compound	PROPN
eurjchem-2551	114	1	d	d	PROPN
eurjchem-2551	114	2	h	h	NOUN
eurjchem-2551	114	3	a	a	DET
eurjchem-2551	114	4	d(d	d(d	PROPN
eurjchem-2551	114	5	-	-	PUNCT
eurjchem-2551	114	6	h	h	NOUN
eurjchem-2551	114	7	)	)	PUNCT
eurjchem-2551	114	8	(	(	PUNCT
eurjchem-2551	114	9	å	å	NOUN
eurjchem-2551	114	10	)	)	PUNCT
eurjchem-2551	114	11	d(h	d(h	PROPN
eurjchem-2551	114	12	-	-	PUNCT
eurjchem-2551	114	13	a	a	NOUN
eurjchem-2551	114	14	)	)	PUNCT
eurjchem-2551	114	15	(	(	PUNCT
eurjchem-2551	114	16	å	å	NOUN
eurjchem-2551	114	17	)	)	PUNCT
eurjchem-2551	114	18	d(d	d(d	PROPN
eurjchem-2551	114	19	-	-	PUNCT
eurjchem-2551	114	20	a	a	NOUN
eurjchem-2551	114	21	)	)	PUNCT
eurjchem-2551	114	22	(	(	PUNCT
eurjchem-2551	114	23	å	å	NOUN
eurjchem-2551	114	24	)	)	PUNCT
eurjchem-2551	114	25	d	d	NOUN
eurjchem-2551	114	26	-	-	PUNCT
eurjchem-2551	114	27	h	h	NOUN
eurjchem-2551	114	28	-	-	PUNCT
eurjchem-2551	114	29	a	a	DET
eurjchem-2551	114	30	(	(	PUNCT
eurjchem-2551	114	31	°	°	NOUN
eurjchem-2551	114	32	)	)	PUNCT
eurjchem-2551	114	33	symmetry	symmetry	NOUN
eurjchem-2551	114	34	i	i	PRON
eurjchem-2551	114	35	c4	c4	VERB
eurjchem-2551	114	36	h4	h4	PROPN
eurjchem-2551	114	37	br5	br5	PROPN
eurjchem-2551	114	38	0.93	0.93	NUM
eurjchem-2551	114	39	2.91	2.91	NUM
eurjchem-2551	114	40	3.827(13	3.827(13	NUM
eurjchem-2551	114	41	)	)	PUNCT
eurjchem-2551	114	42	168.6	168.6	NUM
eurjchem-2551	114	43	2	2	NUM
eurjchem-2551	114	44	-	-	PUNCT
eurjchem-2551	114	45	x	x	NOUN
eurjchem-2551	114	46	,	,	PUNCT
eurjchem-2551	114	47	1	1	NUM
eurjchem-2551	114	48	-	-	SYM
eurjchem-2551	114	49	y	y	NOUN
eurjchem-2551	114	50	,	,	PUNCT
eurjchem-2551	114	51	1	1	NUM
eurjchem-2551	114	52	-	-	PUNCT
eurjchem-2551	114	53	z	z	PROPN
eurjchem-2551	114	54	c16	c16	PROPN
eurjchem-2551	114	55	h16	h16	PROPN
eurjchem-2551	114	56	br2	br2	PROPN
eurjchem-2551	114	57	0.93	0.93	NUM
eurjchem-2551	114	58	3.02	3.02	NUM
eurjchem-2551	114	59	3.937(16	3.937(16	NOUN
eurjchem-2551	114	60	)	)	PUNCT
eurjchem-2551	114	61	167.4	167.4	NUM
eurjchem-2551	114	62	1	1	NUM
eurjchem-2551	114	63	-	-	PUNCT
eurjchem-2551	114	64	x	x	SYM
eurjchem-2551	114	65	,	,	PUNCT
eurjchem-2551	114	66	1	1	NUM
eurjchem-2551	114	67	-	-	SYM
eurjchem-2551	114	68	y	y	NOUN
eurjchem-2551	114	69	,	,	PUNCT
eurjchem-2551	114	70	1	1	NUM
eurjchem-2551	114	71	-	-	PUNCT
eurjchem-2551	114	72	z	z	PROPN
eurjchem-2551	114	73	n2	n2	PROPN
eurjchem-2551	114	74	h22	h22	PROPN
eurjchem-2551	114	75	o2	o2	PROPN
eurjchem-2551	114	76	0.86	0.86	NUM
eurjchem-2551	114	77	2.43	2.43	NUM
eurjchem-2551	114	78	3.273(17	3.273(17	NUM
eurjchem-2551	114	79	)	)	PUNCT
eurjchem-2551	114	80	165.9	165.9	NUM
eurjchem-2551	115	1	+	+	NOUN
eurjchem-2551	115	2	x	x	NOUN
eurjchem-2551	115	3	,	,	PUNCT
eurjchem-2551	115	4	+	+	NOUN
eurjchem-2551	115	5	y	y	PROPN
eurjchem-2551	115	6	,	,	PUNCT
eurjchem-2551	115	7	-1+z	-1+z	PUNCT
eurjchem-2551	115	8	n3	n3	PROPN
eurjchem-2551	115	9	h33	h33	PROPN
eurjchem-2551	115	10	s1	s1	PROPN
eurjchem-2551	115	11	0.86	0.86	NUM
eurjchem-2551	115	12	2.76	2.76	NUM
eurjchem-2551	115	13	3.353(13	3.353(13	NUM
eurjchem-2551	115	14	)	)	PUNCT
eurjchem-2551	115	15	127.2	127.2	NUM
eurjchem-2551	116	1	+	+	NOUN
eurjchem-2551	116	2	x	x	NOUN
eurjchem-2551	116	3	,	,	PUNCT
eurjchem-2551	116	4	+	+	NOUN
eurjchem-2551	116	5	y	y	PROPN
eurjchem-2551	116	6	,	,	PUNCT
eurjchem-2551	116	7	1+z	1+z	NUM
eurjchem-2551	116	8	ii	ii	NOUN
eurjchem-2551	116	9	n3	n3	NOUN
eurjchem-2551	116	10	h3	h3	PROPN
eurjchem-2551	116	11	o3	o3	PROPN
eurjchem-2551	116	12	0.86	0.86	NUM
eurjchem-2551	116	13	1.88	1.88	NUM
eurjchem-2551	116	14	2.57(2	2.57(2	NOUN
eurjchem-2551	116	15	)	)	PUNCT
eurjchem-2551	116	16	137.0	137.0	NUM
eurjchem-2551	116	17	x	x	NOUN
eurjchem-2551	116	18	,	,	PUNCT
eurjchem-2551	116	19	+	+	NOUN
eurjchem-2551	116	20	y	y	PROPN
eurjchem-2551	116	21	,	,	PUNCT
eurjchem-2551	116	22	+	+	PROPN
eurjchem-2551	116	23	z	z	PROPN
eurjchem-2551	116	24	n2	n2	ADJ
eurjchem-2551	116	25	h2a	h2a	X
eurjchem-2551	116	26	s1	s1	NOUN
eurjchem-2551	116	27	0.86	0.86	NUM
eurjchem-2551	116	28	2.77	2.77	NUM
eurjchem-2551	116	29	3.616(17	3.616(17	NUM
eurjchem-2551	116	30	)	)	PUNCT
eurjchem-2551	116	31	167.7	167.7	NUM
eurjchem-2551	116	32	1	1	NUM
eurjchem-2551	116	33	-	-	PUNCT
eurjchem-2551	116	34	x	x	NOUN
eurjchem-2551	116	35	,	,	PUNCT
eurjchem-2551	116	36	2	2	NUM
eurjchem-2551	116	37	-	-	SYM
eurjchem-2551	116	38	y	y	NOUN
eurjchem-2551	116	39	,	,	PUNCT
eurjchem-2551	116	40	1	1	NUM
eurjchem-2551	116	41	-	-	PUNCT
eurjchem-2551	116	42	z	z	NOUN
eurjchem-2551	116	43	table	table	NOUN
eurjchem-2551	116	44	5	5	NUM
eurjchem-2551	116	45	.	.	PUNCT
eurjchem-2551	117	1	experimental	experimental	ADJ
eurjchem-2551	117	2	,	,	PUNCT
eurjchem-2551	117	3	calculated	calculate	VERB
eurjchem-2551	117	4	,	,	PUNCT
eurjchem-2551	117	5	and	and	CCONJ
eurjchem-2551	117	6	tentative	tentative	NOUN
eurjchem-2551	117	7	of	of	ADP
eurjchem-2551	117	8	some	some	DET
eurjchem-2551	117	9	relevant	relevant	ADJ
eurjchem-2551	117	10	vibrational	vibrational	ADJ
eurjchem-2551	117	11	modes	mode	NOUN
eurjchem-2551	117	12	(	(	PUNCT
eurjchem-2551	117	13	cm-1	cm-1	X
eurjchem-2551	117	14	)	)	PUNCT
eurjchem-2551	117	15	of	of	ADP
eurjchem-2551	117	16	compounds	compound	NOUN
eurjchem-2551	117	17	i	i	PRON
eurjchem-2551	117	18	and	and	CCONJ
eurjchem-2551	117	19	ii	ii	PROPN
eurjchem-2551	117	20	.	.	PUNCT
eurjchem-2551	118	1	compound	compound	PROPN
eurjchem-2551	118	2	i	i	PRON
eurjchem-2551	118	3	compound	compound	VERB
eurjchem-2551	118	4	ii	ii	PROPN
eurjchem-2551	118	5	assignment	assignment	NOUN
eurjchem-2551	118	6	*	*	PUNCT
eurjchem-2551	118	7	experimental	experimental	ADJ
eurjchem-2551	118	8	calculated	calculate	VERB
eurjchem-2551	118	9	experimental	experimental	ADJ
eurjchem-2551	118	10	calculated	calculate	VERB
eurjchem-2551	118	11	3255	3255	NUM
eurjchem-2551	118	12	3617	3617	NUM
eurjchem-2551	118	13	3413	3413	NUM
eurjchem-2551	118	14	3674	3674	NUM
eurjchem-2551	118	15	ν(n1	ν(n1	NOUN
eurjchem-2551	118	16	-	-	PUNCT
eurjchem-2551	118	17	h	h	NOUN
eurjchem-2551	118	18	)	)	PUNCT
eurjchem-2551	118	19	3112	3112	NUM
eurjchem-2551	118	20	3515	3515	NUM
eurjchem-2551	118	21	3284	3284	NUM
eurjchem-2551	118	22	3339	3339	NUM
eurjchem-2551	118	23	ν(n2	ν(n2	NOUN
eurjchem-2551	118	24	-	-	PUNCT
eurjchem-2551	118	25	h	h	NOUN
eurjchem-2551	118	26	)	)	PUNCT
eurjchem-2551	118	27	3099	3099	NUM
eurjchem-2551	118	28	3261	3261	NUM
eurjchem-2551	118	29	3180	3180	NUM
eurjchem-2551	118	30	3172	3172	NUM
eurjchem-2551	118	31	ν(c	ν(c	PROPN
eurjchem-2551	118	32	-	-	PUNCT
eurjchem-2551	118	33	h)ar	h)ar	PROPN
eurjchem-2551	118	34	3074	3074	NUM
eurjchem-2551	118	35	3198	3198	NUM
eurjchem-2551	118	36	3073	3073	NUM
eurjchem-2551	118	37	3081	3081	NUM
eurjchem-2551	118	38	ν(c	ν(c	PROPN
eurjchem-2551	118	39	-	-	PUNCT
eurjchem-2551	118	40	h)ar	h)ar	PROPN
eurjchem-2551	118	41	1670	1670	NUM
eurjchem-2551	118	42	1665	1665	NUM
eurjchem-2551	118	43	1728	1728	NUM
eurjchem-2551	118	44	1734	1734	NUM
eurjchem-2551	118	45	νc	νc	NOUN
eurjchem-2551	118	46	=	=	NOUN
eurjchem-2551	118	47	o	o	NOUN
eurjchem-2551	118	48	1603	1603	NUM
eurjchem-2551	118	49	1605	1605	NUM
eurjchem-2551	118	50	1607	1607	NUM
eurjchem-2551	118	51	1606	1606	NUM
eurjchem-2551	118	52	νc	νc	NOUN
eurjchem-2551	118	53	=	=	SYM
eurjchem-2551	118	54	c	c	NOUN
eurjchem-2551	118	55	1506	1506	NUM
eurjchem-2551	118	56	1499	1499	NUM
eurjchem-2551	118	57	1539	1539	NUM
eurjchem-2551	118	58	1532	1532	NUM
eurjchem-2551	118	59	νn	νn	PROPN
eurjchem-2551	118	60	-	-	PUNCT
eurjchem-2551	118	61	cs	cs	ADJ
eurjchem-2551	118	62	1343	1343	NUM
eurjchem-2551	118	63	1390	1390	NUM
eurjchem-2551	118	64	1381	1381	NUM
eurjchem-2551	118	65	1471	1471	NUM
eurjchem-2551	118	66	νn	νn	PROPN
eurjchem-2551	118	67	-	-	PUNCT
eurjchem-2551	118	68	co	co	NOUN
eurjchem-2551	118	69	1346	1346	NUM
eurjchem-2551	118	70	1359	1359	NUM
eurjchem-2551	118	71	νn	νn	NOUN
eurjchem-2551	119	1	=	=	SYM
eurjchem-2551	119	2	o	o	NOUN
eurjchem-2551	119	3	1262	1262	NUM
eurjchem-2551	119	4	1258	1258	NUM
eurjchem-2551	119	5	1276	1276	NUM
eurjchem-2551	119	6	1270	1270	NUM
eurjchem-2551	119	7	νcs	νcs	NOUN
eurjchem-2551	119	8	-	-	PUNCT
eurjchem-2551	119	9	n	n	NOUN
eurjchem-2551	119	10	861	861	NUM
eurjchem-2551	119	11	875	875	NUM
eurjchem-2551	119	12	858	858	NUM
eurjchem-2551	119	13	890	890	NUM
eurjchem-2551	119	14	νc	νc	NOUN
eurjchem-2551	119	15	=	=	NOUN
eurjchem-2551	119	16	s	s	NOUN
eurjchem-2551	119	17	842	842	NUM
eurjchem-2551	119	18	811	811	NUM
eurjchem-2551	119	19	842	842	NUM
eurjchem-2551	119	20	874	874	NUM
eurjchem-2551	119	21	δc	δc	NOUN
eurjchem-2551	119	22	=	=	SYM
eurjchem-2551	119	23	s	s	NOUN
eurjchem-2551	119	24	778	778	NUM
eurjchem-2551	119	25	793	793	NUM
eurjchem-2551	119	26	729	729	NUM
eurjchem-2551	119	27	796	796	NUM
eurjchem-2551	119	28	νc	νc	NOUN
eurjchem-2551	119	29	-	-	PUNCT
eurjchem-2551	119	30	br1	br1	PROPN
eurjchem-2551	119	31	739	739	NUM
eurjchem-2551	119	32	791	791	NUM
eurjchem-2551	119	33	705	705	NUM
eurjchem-2551	119	34	730	730	NUM
eurjchem-2551	119	35	νc	νc	NOUN
eurjchem-2551	119	36	-	-	PUNCT
eurjchem-2551	119	37	br2	br2	NOUN
eurjchem-2551	119	38	701	701	NUM
eurjchem-2551	119	39	742	742	NUM
eurjchem-2551	119	40	700	700	NUM
eurjchem-2551	119	41	686	686	NUM
eurjchem-2551	119	42	νc	νc	NOUN
eurjchem-2551	119	43	-	-	PUNCT
eurjchem-2551	119	44	br3	br3	NOUN
eurjchem-2551	119	45	*	*	PUNCT
eurjchem-2551	119	46	ν	ν	NOUN
eurjchem-2551	119	47	:	:	PUNCT
eurjchem-2551	119	48	stretching	stretch	VERB
eurjchem-2551	119	49	,	,	PUNCT
eurjchem-2551	119	50	δ	δ	PROPN
eurjchem-2551	119	51	:	:	PUNCT
eurjchem-2551	119	52	bending	bend	VERB
eurjchem-2551	119	53	.	.	PUNCT
eurjchem-2551	120	1	figure	figure	NOUN
eurjchem-2551	120	2	3	3	NUM
eurjchem-2551	120	3	.	.	PUNCT
eurjchem-2551	120	4	molecular	molecular	ADJ
eurjchem-2551	120	5	packing	packing	NOUN
eurjchem-2551	120	6	diagram	diagram	NOUN
eurjchem-2551	120	7	of	of	ADP
eurjchem-2551	120	8	compound	compound	NOUN
eurjchem-2551	120	9	i.	i.	PROPN
eurjchem-2551	120	10	moreover	moreover	ADV
eurjchem-2551	120	11	,	,	PUNCT
eurjchem-2551	120	12	the	the	DET
eurjchem-2551	120	13	νn	νn	NOUN
eurjchem-2551	120	14	-	-	PUNCT
eurjchem-2551	120	15	h	h	NOUN
eurjchem-2551	120	16	vibration	vibration	NOUN
eurjchem-2551	120	17	peaks	peak	NOUN
eurjchem-2551	120	18	were	be	AUX
eurjchem-2551	120	19	observed	observe	VERB
eurjchem-2551	120	20	for	for	ADP
eurjchem-2551	120	21	the	the	DET
eurjchem-2551	120	22	thiourea	thiourea	NOUN
eurjchem-2551	120	23	group	group	NOUN
eurjchem-2551	120	24	at	at	ADP
eurjchem-2551	120	25	3112	3112	NUM
eurjchem-2551	120	26	and	and	CCONJ
eurjchem-2551	120	27	3284	3284	NUM
eurjchem-2551	120	28	cm-1	cm-1	X
eurjchem-2551	120	29	for	for	ADP
eurjchem-2551	120	30	compounds	compound	NOUN
eurjchem-2551	120	31	i	i	PRON
eurjchem-2551	120	32	and	and	CCONJ
eurjchem-2551	120	33	ii	ii	PROPN
eurjchem-2551	120	34	,	,	PUNCT
eurjchem-2551	120	35	respectively	respectively	ADV
eurjchem-2551	120	36	.	.	PUNCT
eurjchem-2551	121	1	furthermore	furthermore	ADV
eurjchem-2551	121	2	,	,	PUNCT
eurjchem-2551	121	3	the	the	DET
eurjchem-2551	121	4	calculated	calculated	ADJ
eurjchem-2551	121	5	values	value	NOUN
eurjchem-2551	121	6	for	for	ADP
eurjchem-2551	121	7	the	the	DET
eurjchem-2551	121	8	stretching	stretch	VERB
eurjchem-2551	121	9	vibrations	vibration	NOUN
eurjchem-2551	121	10	were	be	AUX
eurjchem-2551	121	11	found	find	VERB
eurjchem-2551	121	12	to	to	PART
eurjchem-2551	121	13	be	be	AUX
eurjchem-2551	121	14	3617	3617	NUM
eurjchem-2551	121	15	,	,	PUNCT
eurjchem-2551	121	16	3515	3515	NUM
eurjchem-2551	121	17	and	and	CCONJ
eurjchem-2551	121	18	3674	3674	NUM
eurjchem-2551	121	19	,	,	PUNCT
eurjchem-2551	121	20	3339	3339	NUM
eurjchem-2551	121	21	cm-1	cm-1	NOUN
eurjchem-2551	121	22	,	,	PUNCT
eurjchem-2551	121	23	respectively	respectively	ADV
eurjchem-2551	121	24	.	.	PUNCT
eurjchem-2551	122	1	although	although	SCONJ
eurjchem-2551	122	2	the	the	DET
eurjchem-2551	122	3	stretching	stretch	VERB
eurjchem-2551	122	4	vibrations	vibration	NOUN
eurjchem-2551	122	5	of	of	ADP
eurjchem-2551	122	6	the	the	DET
eurjchem-2551	122	7	carbonyl	carbonyl	NOUN
eurjchem-2551	122	8	(	(	PUNCT
eurjchem-2551	122	9	νc	νc	NOUN
eurjchem-2551	122	10	=	=	NOUN
eurjchem-2551	122	11	o	o	NOUN
eurjchem-2551	122	12	)	)	PUNCT
eurjchem-2551	122	13	and	and	CCONJ
eurjchem-2551	122	14	thiocarbonyl	thiocarbonyl	PROPN
eurjchem-2551	122	15	(	(	PUNCT
eurjchem-2551	122	16	νc	νc	NOUN
eurjchem-2551	122	17	=	=	SYM
eurjchem-2551	122	18	s	s	PART
eurjchem-2551	122	19	)	)	PUNCT
eurjchem-2551	122	20	groups	group	NOUN
eurjchem-2551	122	21	as	as	ADP
eurjchem-2551	122	22	an	an	DET
eurjchem-2551	122	23	experimental	experimental	ADJ
eurjchem-2551	122	24	value	value	NOUN
eurjchem-2551	122	25	were	be	AUX
eurjchem-2551	122	26	observed	observe	VERB
eurjchem-2551	122	27	at	at	ADP
eurjchem-2551	122	28	1670	1670	NUM
eurjchem-2551	122	29	,	,	PUNCT
eurjchem-2551	122	30	1728	1728	NUM
eurjchem-2551	122	31	cm-1	cm-1	NOUN
eurjchem-2551	122	32	and	and	CCONJ
eurjchem-2551	122	33	1343	1343	NUM
eurjchem-2551	122	34	,	,	PUNCT
eurjchem-2551	122	35	1454	1454	NUM
eurjchem-2551	122	36	cm-1	cm-1	NOUN
eurjchem-2551	122	37	,	,	PUNCT
eurjchem-2551	122	38	for	for	ADP
eurjchem-2551	122	39	compounds	compound	NOUN
eurjchem-2551	122	40	i	i	PRON
eurjchem-2551	122	41	and	and	CCONJ
eurjchem-2551	122	42	ii	ii	PROPN
eurjchem-2551	122	43	,	,	PUNCT
eurjchem-2551	122	44	that	that	PRON
eurjchem-2551	122	45	of	of	ADP
eurjchem-2551	122	46	theoretical	theoretical	ADJ
eurjchem-2551	122	47	values	value	NOUN
eurjchem-2551	122	48	was	be	AUX
eurjchem-2551	122	49	founded	found	VERB
eurjchem-2551	122	50	at	at	ADP
eurjchem-2551	122	51	1665	1665	NUM
eurjchem-2551	122	52	,	,	PUNCT
eurjchem-2551	122	53	1734	1734	NUM
eurjchem-2551	122	54	cm-1	cm-1	NOUN
eurjchem-2551	122	55	and	and	CCONJ
eurjchem-2551	122	56	1390	1390	NUM
eurjchem-2551	122	57	,	,	PUNCT
eurjchem-2551	122	58	1471	1471	NUM
eurjchem-2551	122	59	cm-1	cm-1	NOUN
eurjchem-2551	122	60	,	,	PUNCT
eurjchem-2551	122	61	respectively	respectively	ADV
eurjchem-2551	122	62	.	.	PUNCT
eurjchem-2551	123	1	furthermore	furthermore	ADV
eurjchem-2551	123	2	,	,	PUNCT
eurjchem-2551	123	3	the	the	DET
eurjchem-2551	123	4	presence	presence	NOUN
eurjchem-2551	123	5	of	of	ADP
eurjchem-2551	123	6	the	the	DET
eurjchem-2551	123	7	bending	bend	VERB
eurjchem-2551	123	8	vibration	vibration	NOUN
eurjchem-2551	123	9	of	of	ADP
eurjchem-2551	123	10	the	the	DET
eurjchem-2551	123	11	c	c	NOUN
eurjchem-2551	123	12	=	=	SYM
eurjchem-2551	123	13	s	s	PROPN
eurjchem-2551	123	14	group	group	NOUN
eurjchem-2551	123	15	for	for	ADP
eurjchem-2551	123	16	the	the	DET
eurjchem-2551	123	17	title	title	NOUN
eurjchem-2551	123	18	compounds	compound	NOUN
eurjchem-2551	123	19	was	be	AUX
eurjchem-2551	123	20	identified	identify	VERB
eurjchem-2551	123	21	by	by	ADP
eurjchem-2551	123	22	the	the	DET
eurjchem-2551	123	23	observed	observe	VERB
eurjchem-2551	123	24	peak	peak	NOUN
eurjchem-2551	123	25	at	at	ADP
eurjchem-2551	123	26	861	861	NUM
eurjchem-2551	123	27	and	and	CCONJ
eurjchem-2551	123	28	858	858	NUM
eurjchem-2551	123	29	cm-1	cm-1	X
eurjchem-2551	124	1	[	[	X
eurjchem-2551	124	2	30	30	NUM
eurjchem-2551	124	3	]	]	PUNCT
eurjchem-2551	124	4	.	.	PUNCT
eurjchem-2551	125	1	160	160	NUM
eurjchem-2551	125	2	arslan	arslan	NOUN
eurjchem-2551	125	3	and	and	CCONJ
eurjchem-2551	125	4	aydin	aydin	PROPN
eurjchem-2551	125	5	/	/	SYM
eurjchem-2551	125	6	european	european	ADJ
eurjchem-2551	125	7	journal	journal	PROPN
eurjchem-2551	125	8	of	of	ADP
eurjchem-2551	125	9	chemistry	chemistry	NOUN
eurjchem-2551	125	10	15	15	NUM
eurjchem-2551	125	11	(	(	PUNCT
eurjchem-2551	125	12	2	2	NUM
eurjchem-2551	125	13	)	)	PUNCT
eurjchem-2551	125	14	(	(	PUNCT
eurjchem-2551	125	15	2024	2024	NUM
eurjchem-2551	125	16	)	)	PUNCT
eurjchem-2551	125	17	155	155	NUM
eurjchem-2551	125	18	-	-	SYM
eurjchem-2551	125	19	165	165	NUM
eurjchem-2551	125	20	2024	2024	NUM
eurjchem-2551	125	21	–	–	PUNCT
eurjchem-2551	125	22	european	european	ADJ
eurjchem-2551	125	23	journal	journal	NOUN
eurjchem-2551	125	24	of	of	ADP
eurjchem-2551	125	25	chemistry	chemistry	NOUN
eurjchem-2551	125	26	–	–	PUNCT
eurjchem-2551	125	27	cc	cc	NOUN
eurjchem-2551	125	28	by	by	ADP
eurjchem-2551	125	29	nc	nc	PROPN
eurjchem-2551	125	30	–	–	PUNCT
eurjchem-2551	125	31	doi	doi	PROPN
eurjchem-2551	125	32	:	:	PUNCT
eurjchem-2551	125	33	10.5155	10.5155	NUM
eurjchem-2551	125	34	/	/	SYM
eurjchem-2551	125	35	eurjchem.15.2.155	eurjchem.15.2.155	NOUN
eurjchem-2551	125	36	-	-	SYM
eurjchem-2551	125	37	165.2551	165.2551	NUM
eurjchem-2551	125	38	figure	figure	NOUN
eurjchem-2551	125	39	4	4	NUM
eurjchem-2551	125	40	.	.	PUNCT
eurjchem-2551	125	41	molecular	molecular	ADJ
eurjchem-2551	125	42	packing	packing	NOUN
eurjchem-2551	125	43	diagram	diagram	NOUN
eurjchem-2551	125	44	of	of	ADP
eurjchem-2551	125	45	compound	compound	PROPN
eurjchem-2551	125	46	ii	ii	PROPN
eurjchem-2551	125	47	.	.	PUNCT
eurjchem-2551	125	48	figure	figure	NOUN
eurjchem-2551	125	49	5	5	NUM
eurjchem-2551	125	50	.	.	PUNCT
eurjchem-2551	126	1	experimental	experimental	ADJ
eurjchem-2551	126	2	and	and	CCONJ
eurjchem-2551	126	3	simulated	simulated	ADJ
eurjchem-2551	126	4	ft	ft	PROPN
eurjchem-2551	126	5	-	-	PUNCT
eurjchem-2551	126	6	ir	ir	NOUN
eurjchem-2551	126	7	spectra	spectra	NOUN
eurjchem-2551	126	8	of	of	ADP
eurjchem-2551	126	9	compound	compound	PROPN
eurjchem-2551	126	10	i.	i.	PROPN
eurjchem-2551	126	11	figure	figure	NOUN
eurjchem-2551	126	12	6	6	NUM
eurjchem-2551	126	13	.	.	PUNCT
eurjchem-2551	127	1	experimental	experimental	ADJ
eurjchem-2551	127	2	and	and	CCONJ
eurjchem-2551	127	3	simulated	simulated	ADJ
eurjchem-2551	127	4	ft	ft	PROPN
eurjchem-2551	127	5	-	-	PUNCT
eurjchem-2551	127	6	ir	ir	NOUN
eurjchem-2551	127	7	spectra	spectra	NOUN
eurjchem-2551	127	8	of	of	ADP
eurjchem-2551	127	9	compound	compound	PROPN
eurjchem-2551	127	10	ii	ii	PROPN
eurjchem-2551	127	11	.	.	PUNCT
eurjchem-2551	128	1	vibration	vibration	NOUN
eurjchem-2551	128	2	bands	band	NOUN
eurjchem-2551	128	3	with	with	ADP
eurjchem-2551	128	4	wavenumbers	wavenumber	NOUN
eurjchem-2551	128	5	of	of	ADP
eurjchem-2551	128	6	3099	3099	NUM
eurjchem-2551	128	7	,	,	PUNCT
eurjchem-2551	128	8	3074	3074	NUM
eurjchem-2551	128	9	and	and	CCONJ
eurjchem-2551	128	10	3180	3180	NUM
eurjchem-2551	128	11	,	,	PUNCT
eurjchem-2551	128	12	3073	3073	NUM
eurjchem-2551	128	13	cm-1	cm-1	X
eurjchem-2551	128	14	(	(	PUNCT
eurjchem-2551	128	15	νc	νc	NOUN
eurjchem-2551	128	16	-	-	PUNCT
eurjchem-2551	128	17	h	h	NOUN
eurjchem-2551	128	18	,	,	PUNCT
eurjchem-2551	128	19	ar	ar	NOUN
eurjchem-2551	128	20	-	-	NOUN
eurjchem-2551	128	21	h	h	NOUN
eurjchem-2551	128	22	)	)	PUNCT
eurjchem-2551	128	23	;	;	PUNCT
eurjchem-2551	128	24	1603	1603	NUM
eurjchem-2551	128	25	and	and	CCONJ
eurjchem-2551	128	26	1607	1607	NUM
eurjchem-2551	128	27	cm-1	cm-1	X
eurjchem-2551	128	28	(	(	PUNCT
eurjchem-2551	128	29	νc	νc	X
eurjchem-2551	128	30	=	=	SYM
eurjchem-2551	128	31	c	c	NOUN
eurjchem-2551	128	32	)	)	PUNCT
eurjchem-2551	128	33	;	;	PUNCT
eurjchem-2551	128	34	1506	1506	NUM
eurjchem-2551	128	35	and	and	CCONJ
eurjchem-2551	128	36	1539	1539	NUM
eurjchem-2551	128	37	cm-1	cm-1	X
eurjchem-2551	128	38	(	(	PUNCT
eurjchem-2551	128	39	νn	νn	NOUN
eurjchem-2551	128	40	-	-	PUNCT
eurjchem-2551	128	41	csthioureido	csthioureido	NOUN
eurjchem-2551	128	42	)	)	PUNCT
eurjchem-2551	128	43	,	,	PUNCT
eurjchem-2551	128	44	1262	1262	NUM
eurjchem-2551	128	45	and	and	CCONJ
eurjchem-2551	128	46	1276	1276	NUM
eurjchem-2551	128	47	cm-1	cm-1	X
eurjchem-2551	128	48	(	(	PUNCT
eurjchem-2551	128	49	νcs	νcs	NOUN
eurjchem-2551	128	50	-	-	PUNCT
eurjchem-2551	128	51	n	n	CCONJ
eurjchem-2551	128	52	)	)	PUNCT
eurjchem-2551	128	53	were	be	AUX
eurjchem-2551	128	54	confirmed	confirm	VERB
eurjchem-2551	128	55	the	the	DET
eurjchem-2551	128	56	title	title	NOUN
eurjchem-2551	128	57	compounds	compound	VERB
eurjchem-2551	128	58	i	i	PRON
eurjchem-2551	128	59	and	and	CCONJ
eurjchem-2551	128	60	ii	ii	PROPN
eurjchem-2551	128	61	,	,	PUNCT
eurjchem-2551	128	62	respectively	respectively	ADV
eurjchem-2551	128	63	.	.	PUNCT
eurjchem-2551	129	1	the	the	DET
eurjchem-2551	129	2	o	o	NOUN
eurjchem-2551	129	3	-	-	NOUN
eurjchem-2551	129	4	no	no	DET
eurjchem-2551	129	5	stretching	stretching	NOUN
eurjchem-2551	129	6	vibration	vibration	NOUN
eurjchem-2551	129	7	was	be	AUX
eurjchem-2551	129	8	observed	observe	VERB
eurjchem-2551	129	9	at	at	ADP
eurjchem-2551	129	10	1346	1346	NUM
eurjchem-2551	129	11	cm-1	cm-1	VERB
eurjchem-2551	129	12	for	for	ADP
eurjchem-2551	129	13	the	the	DET
eurjchem-2551	129	14	title	title	NOUN
eurjchem-2551	129	15	compound	compound	NOUN
eurjchem-2551	129	16	ii	ii	PROPN
eurjchem-2551	130	1	[	[	X
eurjchem-2551	130	2	31	31	NUM
eurjchem-2551	130	3	]	]	PUNCT
eurjchem-2551	130	4	.	.	PUNCT
eurjchem-2551	131	1	the	the	DET
eurjchem-2551	131	2	stretching	stretching	NOUN
eurjchem-2551	131	3	of	of	ADP
eurjchem-2551	131	4	the	the	DET
eurjchem-2551	131	5	c	c	NOUN
eurjchem-2551	131	6	-	-	PUNCT
eurjchem-2551	131	7	br	br	NOUN
eurjchem-2551	131	8	bonds	bond	NOUN
eurjchem-2551	131	9	in	in	ADP
eurjchem-2551	131	10	the	the	DET
eurjchem-2551	131	11	compounds	compound	NOUN
eurjchem-2551	131	12	was	be	AUX
eurjchem-2551	131	13	confirmed	confirm	VERB
eurjchem-2551	131	14	at	at	ADP
eurjchem-2551	131	15	778	778	NUM
eurjchem-2551	131	16	,	,	PUNCT
eurjchem-2551	131	17	739	739	NUM
eurjchem-2551	131	18	,	,	PUNCT
eurjchem-2551	131	19	701	701	NUM
eurjchem-2551	131	20	cm-1	cm-1	NOUN
eurjchem-2551	131	21	and	and	CCONJ
eurjchem-2551	131	22	729	729	NUM
eurjchem-2551	131	23	,	,	PUNCT
eurjchem-2551	131	24	705	705	NUM
eurjchem-2551	131	25	,	,	PUNCT
eurjchem-2551	131	26	and	and	CCONJ
eurjchem-2551	131	27	700	700	NUM
eurjchem-2551	131	28	cm-1	cm-1	NOUN
eurjchem-2551	131	29	,	,	PUNCT
eurjchem-2551	131	30	respectively	respectively	ADV
eurjchem-2551	131	31	.	.	PUNCT
eurjchem-2551	132	1	these	these	DET
eurjchem-2551	132	2	stretching	stretch	VERB
eurjchem-2551	132	3	bands	band	NOUN
eurjchem-2551	132	4	of	of	ADP
eurjchem-2551	132	5	the	the	DET
eurjchem-2551	132	6	c	c	NOUN
eurjchem-2551	132	7	-	-	PUNCT
eurjchem-2551	132	8	br	br	NOUN
eurjchem-2551	132	9	bonds	bond	NOUN
eurjchem-2551	132	10	were	be	AUX
eurjchem-2551	132	11	also	also	ADV
eurjchem-2551	132	12	calculated	calculate	VERB
eurjchem-2551	132	13	as	as	ADP
eurjchem-2551	132	14	791	791	NUM
eurjchem-2551	132	15	,	,	PUNCT
eurjchem-2551	132	16	793	793	NUM
eurjchem-2551	132	17	,	,	PUNCT
eurjchem-2551	132	18	742	742	NUM
eurjchem-2551	132	19	cm-1	cm-1	NOUN
eurjchem-2551	132	20	,	,	PUNCT
eurjchem-2551	132	21	and	and	CCONJ
eurjchem-2551	132	22	796	796	NUM
eurjchem-2551	132	23	,	,	PUNCT
eurjchem-2551	132	24	730	730	NUM
eurjchem-2551	132	25	,	,	PUNCT
eurjchem-2551	132	26	686	686	NUM
eurjchem-2551	132	27	cm-1	cm-1	X
eurjchem-2551	132	28	for	for	ADP
eurjchem-2551	132	29	compounds	compound	NOUN
eurjchem-2551	132	30	i	i	PRON
eurjchem-2551	132	31	and	and	CCONJ
eurjchem-2551	132	32	ii	ii	PROPN
eurjchem-2551	132	33	,	,	PUNCT
eurjchem-2551	132	34	respectively	respectively	ADV
eurjchem-2551	132	35	.	.	PUNCT
eurjchem-2551	133	1	all	all	DET
eurjchem-2551	133	2	conclusions	conclusion	NOUN
eurjchem-2551	133	3	agree	agree	VERB
eurjchem-2551	133	4	with	with	ADP
eurjchem-2551	133	5	the	the	DET
eurjchem-2551	133	6	literature	literature	NOUN
eurjchem-2551	133	7	[	[	X
eurjchem-2551	133	8	32,33	32,33	NUM
eurjchem-2551	133	9	]	]	PUNCT
eurjchem-2551	133	10	.	.	PUNCT
eurjchem-2551	134	1	3.2.2	3.2.2	NUM
eurjchem-2551	134	2	.	.	PUNCT
eurjchem-2551	135	1	nmr	nmr	NOUN
eurjchem-2551	135	2	analysis	analysis	NOUN
eurjchem-2551	135	3	in	in	ADP
eurjchem-2551	135	4	most	most	ADJ
eurjchem-2551	135	5	compounds	compound	NOUN
eurjchem-2551	135	6	containing	contain	VERB
eurjchem-2551	135	7	electronegative	electronegative	ADJ
eurjchem-2551	135	8	atoms	atom	NOUN
eurjchem-2551	135	9	,	,	PUNCT
eurjchem-2551	135	10	n	n	CCONJ
eurjchem-2551	135	11	-	-	PUNCT
eurjchem-2551	135	12	h	h	NOUN
eurjchem-2551	135	13	values	value	NOUN
eurjchem-2551	135	14	are	be	AUX
eurjchem-2551	135	15	observed	observe	VERB
eurjchem-2551	135	16	around	around	ADP
eurjchem-2551	135	17	δ	δ	PROPN
eurjchem-2551	135	18	12	12	NUM
eurjchem-2551	135	19	ppm	ppm	NOUN
eurjchem-2551	135	20	due	due	ADP
eurjchem-2551	135	21	to	to	ADP
eurjchem-2551	135	22	hydrogen	hydrogen	NOUN
eurjchem-2551	135	23	bond	bond	NOUN
eurjchem-2551	135	24	formation	formation	NOUN
eurjchem-2551	135	25	[	[	X
eurjchem-2551	135	26	34	34	NUM
eurjchem-2551	135	27	]	]	PUNCT
eurjchem-2551	135	28	.	.	PUNCT
eurjchem-2551	136	1	in	in	ADP
eurjchem-2551	136	2	1h	1h	NUM
eurjchem-2551	136	3	nmr	nmr	NOUN
eurjchem-2551	136	4	,	,	PUNCT
eurjchem-2551	136	5	the	the	DET
eurjchem-2551	136	6	characteristic	characteristic	ADJ
eurjchem-2551	136	7	broad	broad	ADJ
eurjchem-2551	136	8	singlet	singlet	ADJ
eurjchem-2551	136	9	peaks	peak	NOUN
eurjchem-2551	136	10	appeared	appear	VERB
eurjchem-2551	136	11	at	at	ADP
eurjchem-2551	136	12	δ	δ	PROPN
eurjchem-2551	136	13	12.08	12.08	NUM
eurjchem-2551	136	14	,	,	PUNCT
eurjchem-2551	136	15	12.25	12.25	NUM
eurjchem-2551	136	16	ppm	ppm	NOUN
eurjchem-2551	136	17	and	and	CCONJ
eurjchem-2551	136	18	11.94	11.94	NUM
eurjchem-2551	136	19	,	,	PUNCT
eurjchem-2551	136	20	11.86	11.86	NUM
eurjchem-2551	136	21	ppm	ppm	NOUN
eurjchem-2551	136	22	,	,	PUNCT
eurjchem-2551	136	23	for	for	ADP
eurjchem-2551	136	24	amide	amide	NOUN
eurjchem-2551	136	25	protons	proton	NOUN
eurjchem-2551	136	26	(	(	PUNCT
eurjchem-2551	136	27	nha	nha	NOUN
eurjchem-2551	136	28	)	)	PUNCT
eurjchem-2551	136	29	and	and	CCONJ
eurjchem-2551	136	30	thio	thio	NOUN
eurjchem-2551	136	31	-	-	PUNCT
eurjchem-2551	136	32	amide	amide	NOUN
eurjchem-2551	136	33	protons	proton	NOUN
eurjchem-2551	136	34	(	(	PUNCT
eurjchem-2551	136	35	nhb	nhb	PROPN
eurjchem-2551	136	36	)	)	PUNCT
eurjchem-2551	136	37	confirmed	confirm	VERB
eurjchem-2551	136	38	the	the	DET
eurjchem-2551	136	39	structure	structure	NOUN
eurjchem-2551	136	40	of	of	ADP
eurjchem-2551	136	41	the	the	DET
eurjchem-2551	136	42	new	new	ADJ
eurjchem-2551	136	43	compounds	compound	NOUN
eurjchem-2551	136	44	i	i	PRON
eurjchem-2551	136	45	and	and	CCONJ
eurjchem-2551	136	46	ii	ii	PROPN
eurjchem-2551	136	47	,	,	PUNCT
eurjchem-2551	136	48	respectively	respectively	ADV
eurjchem-2551	136	49	[	[	X
eurjchem-2551	136	50	3537	3537	NUM
eurjchem-2551	136	51	]	]	PUNCT
eurjchem-2551	136	52	.	.	PUNCT
eurjchem-2551	137	1	for	for	SCONJ
eurjchem-2551	137	2	the	the	DET
eurjchem-2551	137	3	title	title	NOUN
eurjchem-2551	137	4	compounds	compound	VERB
eurjchem-2551	137	5	i	i	PRON
eurjchem-2551	137	6	and	and	CCONJ
eurjchem-2551	137	7	ii	ii	PROPN
eurjchem-2551	137	8	,	,	PUNCT
eurjchem-2551	137	9	the	the	DET
eurjchem-2551	137	10	aromatic	aromatic	ADJ
eurjchem-2551	137	11	proton	proton	NOUN
eurjchem-2551	137	12	peaks	peak	NOUN
eurjchem-2551	137	13	of	of	ADP
eurjchem-2551	137	14	the	the	DET
eurjchem-2551	137	15	phenyl	phenyl	NOUN
eurjchem-2551	137	16	ring	ring	NOUN
eurjchem-2551	137	17	and	and	CCONJ
eurjchem-2551	137	18	the	the	DET
eurjchem-2551	137	19	4	4	NUM
eurjchem-2551	137	20	-	-	PUNCT
eurjchem-2551	137	21	nitrophenyl	nitrophenyl	NOUN
eurjchem-2551	137	22	ring	ring	NOUN
eurjchem-2551	137	23	could	could	AUX
eurjchem-2551	137	24	be	be	AUX
eurjchem-2551	137	25	observed	observe	VERB
eurjchem-2551	137	26	at	at	ADP
eurjchem-2551	137	27	δ	δ	PROPN
eurjchem-2551	137	28	7.56	7.56	NUM
eurjchem-2551	137	29	ppm	ppm	NOUN
eurjchem-2551	137	30	(	(	PUNCT
eurjchem-2551	137	31	t	t	PROPN
eurjchem-2551	137	32	,	,	PUNCT
eurjchem-2551	137	33	1h	1h	NUM
eurjchem-2551	137	34	,	,	PUNCT
eurjchem-2551	137	35	-hd	-hd	CCONJ
eurjchem-2551	137	36	)	)	PUNCT
eurjchem-2551	137	37	,	,	PUNCT
eurjchem-2551	137	38	7.69	7.69	NUM
eurjchem-2551	137	39	(	(	PUNCT
eurjchem-2551	137	40	t	t	PROPN
eurjchem-2551	137	41	,	,	PUNCT
eurjchem-2551	137	42	2h	2h	NUM
eurjchem-2551	137	43	,	,	PUNCT
eurjchem-2551	137	44	-he	-he	NOUN
eurjchem-2551	137	45	)	)	PUNCT
eurjchem-2551	137	46	,	,	PUNCT
eurjchem-2551	137	47	8.02	8.02	NUM
eurjchem-2551	137	48	(	(	PUNCT
eurjchem-2551	137	49	d	d	NOUN
eurjchem-2551	137	50	,	,	PUNCT
eurjchem-2551	137	51	2h	2h	NUM
eurjchem-2551	137	52	,	,	PUNCT
eurjchem-2551	137	53	-hc	-hc	PUNCT
eurjchem-2551	137	54	)	)	PUNCT
eurjchem-2551	137	55	and	and	CCONJ
eurjchem-2551	137	56	arslan	arslan	NOUN
eurjchem-2551	137	57	and	and	CCONJ
eurjchem-2551	137	58	aydin	aydin	PROPN
eurjchem-2551	137	59	/	/	SYM
eurjchem-2551	137	60	european	european	ADJ
eurjchem-2551	137	61	journal	journal	PROPN
eurjchem-2551	137	62	of	of	ADP
eurjchem-2551	137	63	chemistry	chemistry	NOUN
eurjchem-2551	137	64	15	15	NUM
eurjchem-2551	137	65	(	(	PUNCT
eurjchem-2551	137	66	2	2	NUM
eurjchem-2551	137	67	)	)	PUNCT
eurjchem-2551	137	68	(	(	PUNCT
eurjchem-2551	137	69	2024	2024	NUM
eurjchem-2551	137	70	)	)	PUNCT
eurjchem-2551	137	71	155	155	NUM
eurjchem-2551	137	72	-	-	SYM
eurjchem-2551	137	73	165	165	NUM
eurjchem-2551	137	74	161	161	NUM
eurjchem-2551	137	75	2024	2024	NUM
eurjchem-2551	137	76	–	–	PUNCT
eurjchem-2551	137	77	european	european	ADJ
eurjchem-2551	137	78	journal	journal	NOUN
eurjchem-2551	137	79	of	of	ADP
eurjchem-2551	137	80	chemistry	chemistry	NOUN
eurjchem-2551	137	81	–	–	PUNCT
eurjchem-2551	137	82	cc	cc	NOUN
eurjchem-2551	137	83	by	by	ADP
eurjchem-2551	137	84	nc	nc	PROPN
eurjchem-2551	137	85	–	–	PUNCT
eurjchem-2551	137	86	doi	doi	PROPN
eurjchem-2551	137	87	:	:	PUNCT
eurjchem-2551	137	88	10.5155	10.5155	NUM
eurjchem-2551	137	89	/	/	SYM
eurjchem-2551	137	90	eurjchem.15.2.155	eurjchem.15.2.155	NOUN
eurjchem-2551	137	91	-	-	SYM
eurjchem-2551	137	92	165.2551	165.2551	NUM
eurjchem-2551	137	93	compound	compound	NOUN
eurjchem-2551	137	94	i	i	PRON
eurjchem-2551	137	95	compound	compound	VERB
eurjchem-2551	137	96	ii	ii	PROPN
eurjchem-2551	138	1	o	o	INTJ
eurjchem-2551	138	2	ha	ha	INTJ
eurjchem-2551	138	3	n	n	CCONJ
eurjchem-2551	138	4	n	n	PROPN
eurjchem-2551	138	5	s	s	NOUN
eurjchem-2551	138	6	hb	hb	X
eurjchem-2551	138	7	12.08	12.08	NUM
eurjchem-2551	138	8	11.94	11.94	NUM
eurjchem-2551	138	9	hf	hf	NOUN
eurjchem-2551	138	10	brhc	brhc	NOUN
eurjchem-2551	138	11	hd	hd	VERB
eurjchem-2551	138	12	he	he	PRON
eurjchem-2551	138	13	8.04	8.04	NUM
eurjchem-2551	138	14	8.04	8.04	NUM
eurjchem-2551	138	15	8.02	8.02	NUM
eurjchem-2551	138	16	7.56	7.56	NUM
eurjchem-2551	138	17	7.69	7.69	NUM
eurjchem-2551	138	18	br	br	NOUN
eurjchem-2551	139	1	br	br	NOUN
eurjchem-2551	140	1	h	h	NOUN
eurjchem-2551	141	1	o	o	INTJ
eurjchem-2551	141	2	ha	ha	INTJ
eurjchem-2551	141	3	n	n	CCONJ
eurjchem-2551	141	4	n	n	PROPN
eurjchem-2551	141	5	s	s	NOUN
eurjchem-2551	141	6	hb	hb	X
eurjchem-2551	141	7	12.25	12.25	NUM
eurjchem-2551	141	8	11.86	11.86	NUM
eurjchem-2551	141	9	he	he	PRON
eurjchem-2551	141	10	br	br	NOUN
eurjchem-2551	141	11	hc	hc	PROPN
eurjchem-2551	141	12	hd	hd	PROPN
eurjchem-2551	141	13	o2n	o2n	NOUN
eurjchem-2551	141	14	7.99	7.99	NUM
eurjchem-2551	141	15	7.99	7.99	NUM
eurjchem-2551	141	16	8.31	8.31	NUM
eurjchem-2551	141	17	br	br	NOUN
eurjchem-2551	142	1	br	br	PROPN
eurjchem-2551	142	2	h	h	NOUN
eurjchem-2551	142	3	8.17	8.17	NUM
eurjchem-2551	142	4	o	o	NOUN
eurjchem-2551	142	5	n	n	PRON
eurjchem-2551	142	6	h	h	NOUN
eurjchem-2551	143	1	n	n	NOUN
eurjchem-2551	143	2	h	h	NOUN
eurjchem-2551	143	3	s	s	NOUN
eurjchem-2551	143	4	168.0	168.0	NUM
eurjchem-2551	143	5	br	br	NOUN
eurjchem-2551	143	6	131.7	131.7	NUM
eurjchem-2551	143	7	136.9	136.9	NUM
eurjchem-2551	143	8	125.0	125.0	NUM
eurjchem-2551	143	9	br	br	NOUN
eurjchem-2551	143	10	br	br	ADP
eurjchem-2551	143	11	133.3	133.3	NUM
eurjchem-2551	143	12	121.4	121.4	NUM
eurjchem-2551	143	13	128.5	128.5	NUM
eurjchem-2551	143	14	134.2	134.2	NUM
eurjchem-2551	143	15	180.7	180.7	NUM
eurjchem-2551	143	16	128.74	128.74	NUM
eurjchem-2551	143	17	o	o	NOUN
eurjchem-2551	143	18	n	n	PRON
eurjchem-2551	143	19	h	h	NOUN
eurjchem-2551	144	1	n	n	NOUN
eurjchem-2551	144	2	h	h	NOUN
eurjchem-2551	144	3	s	s	PART
eurjchem-2551	144	4	167.0	167.0	NUM
eurjchem-2551	144	5	br	br	NOUN
eurjchem-2551	144	6	o2n	o2n	PROPN
eurjchem-2551	144	7	134.7	134.7	NUM
eurjchem-2551	144	8	138.8	138.8	NUM
eurjchem-2551	144	9	123.9	123.9	NUM
eurjchem-2551	144	10	br	br	NOUN
eurjchem-2551	144	11	br	br	ADP
eurjchem-2551	144	12	130.9	130.9	NUM
eurjchem-2551	144	13	122.0	122.0	NUM
eurjchem-2551	144	14	125.5	125.5	NUM
eurjchem-2551	144	15	137.4	137.4	NUM
eurjchem-2551	144	16	180.9	180.9	NUM
eurjchem-2551	144	17	150.4	150.4	NUM
eurjchem-2551	144	18	scheme	scheme	NOUN
eurjchem-2551	144	19	2	2	NUM
eurjchem-2551	144	20	.	.	PUNCT
eurjchem-2551	145	1	the	the	DET
eurjchem-2551	145	2	1h	1h	NUM
eurjchem-2551	145	3	nmr	nmr	NOUN
eurjchem-2551	145	4	and	and	CCONJ
eurjchem-2551	145	5	13c	13c	NOUN
eurjchem-2551	145	6	nmr	nmr	NOUN
eurjchem-2551	145	7	chemical	chemical	ADJ
eurjchem-2551	145	8	shifts	shift	NOUN
eurjchem-2551	145	9	of	of	ADP
eurjchem-2551	145	10	the	the	DET
eurjchem-2551	145	11	title	title	NOUN
eurjchem-2551	145	12	compounds	compound	VERB
eurjchem-2551	145	13	i	i	PRON
eurjchem-2551	145	14	and	and	CCONJ
eurjchem-2551	145	15	ii	ii	PROPN
eurjchem-2551	145	16	in	in	ADP
eurjchem-2551	145	17	dmso	dmso	NOUN
eurjchem-2551	145	18	-	-	NOUN
eurjchem-2551	145	19	d6	d6	NOUN
eurjchem-2551	145	20	.	.	PUNCT
eurjchem-2551	146	1	compound	compound	NOUN
eurjchem-2551	146	2	i	i	PRON
eurjchem-2551	146	3	compound	compound	NOUN
eurjchem-2551	146	4	ii	ii	PROPN
eurjchem-2551	146	5	figure	figure	NOUN
eurjchem-2551	146	6	7	7	NUM
eurjchem-2551	146	7	.	.	PUNCT
eurjchem-2551	147	1	the	the	DET
eurjchem-2551	147	2	mulliken	mulliken	PROPN
eurjchem-2551	147	3	atomic	atomic	ADJ
eurjchem-2551	147	4	charge	charge	NOUN
eurjchem-2551	147	5	distribution	distribution	NOUN
eurjchem-2551	147	6	of	of	ADP
eurjchem-2551	147	7	compounds	compound	NOUN
eurjchem-2551	147	8	i	i	PRON
eurjchem-2551	147	9	and	and	CCONJ
eurjchem-2551	147	10	ii	ii	PROPN
eurjchem-2551	147	11	in	in	ADP
eurjchem-2551	147	12	the	the	DET
eurjchem-2551	147	13	gas	gas	NOUN
eurjchem-2551	147	14	phase	phase	NOUN
eurjchem-2551	147	15	.	.	PUNCT
eurjchem-2551	148	1	8.17	8.17	NUM
eurjchem-2551	148	2	(	(	PUNCT
eurjchem-2551	148	3	d	d	PROPN
eurjchem-2551	148	4	,	,	PUNCT
eurjchem-2551	148	5	2h	2h	NUM
eurjchem-2551	148	6	,	,	PUNCT
eurjchem-2551	148	7	-hd	-hd	CCONJ
eurjchem-2551	148	8	)	)	PUNCT
eurjchem-2551	148	9	,	,	PUNCT
eurjchem-2551	148	10	8.31	8.31	NUM
eurjchem-2551	148	11	ppm	ppm	NOUN
eurjchem-2551	148	12	(	(	PUNCT
eurjchem-2551	148	13	d	d	NOUN
eurjchem-2551	148	14	,	,	PUNCT
eurjchem-2551	148	15	2h	2h	NUM
eurjchem-2551	148	16	,	,	PUNCT
eurjchem-2551	148	17	-hc	-hc	NUM
eurjchem-2551	148	18	)	)	PUNCT
eurjchem-2551	148	19	,	,	PUNCT
eurjchem-2551	148	20	respectively	respectively	ADV
eurjchem-2551	148	21	.	.	PUNCT
eurjchem-2551	149	1	furthermore	furthermore	ADV
eurjchem-2551	149	2	,	,	PUNCT
eurjchem-2551	149	3	two	two	NUM
eurjchem-2551	149	4	similar	similar	ADJ
eurjchem-2551	149	5	proton	proton	NOUN
eurjchem-2551	149	6	peaks	peak	NOUN
eurjchem-2551	149	7	of	of	ADP
eurjchem-2551	149	8	the	the	DET
eurjchem-2551	149	9	2,4,6	2,4,6	NUM
eurjchem-2551	149	10	-	-	PUNCT
eurjchem-2551	149	11	tribromo	tribromo	NOUN
eurjchem-2551	149	12	-	-	PUNCT
eurjchem-2551	149	13	phenyl	phenyl	NOUN
eurjchem-2551	149	14	ring	ring	NOUN
eurjchem-2551	149	15	of	of	ADP
eurjchem-2551	149	16	compounds	compound	NOUN
eurjchem-2551	149	17	i	i	PRON
eurjchem-2551	149	18	and	and	CCONJ
eurjchem-2551	149	19	ii	ii	PROPN
eurjchem-2551	149	20	were	be	AUX
eurjchem-2551	149	21	observed	observe	VERB
eurjchem-2551	149	22	at	at	ADP
eurjchem-2551	149	23	δ	δ	PROPN
eurjchem-2551	149	24	8.04	8.04	NUM
eurjchem-2551	149	25	(	(	PUNCT
eurjchem-2551	149	26	s	s	PROPN
eurjchem-2551	149	27	,	,	PUNCT
eurjchem-2551	149	28	2h	2h	NUM
eurjchem-2551	149	29	,	,	PUNCT
eurjchem-2551	149	30	hf	hf	NOUN
eurjchem-2551	149	31	)	)	PUNCT
eurjchem-2551	149	32	and	and	CCONJ
eurjchem-2551	149	33	7.99	7.99	NUM
eurjchem-2551	149	34	ppm	ppm	NOUN
eurjchem-2551	149	35	(	(	PUNCT
eurjchem-2551	149	36	s	s	NOUN
eurjchem-2551	149	37	,	,	PUNCT
eurjchem-2551	149	38	2h	2h	NUM
eurjchem-2551	149	39	,	,	PUNCT
eurjchem-2551	149	40	he	he	PRON
eurjchem-2551	149	41	)	)	PUNCT
eurjchem-2551	149	42	,	,	PUNCT
eurjchem-2551	149	43	respectively	respectively	ADV
eurjchem-2551	149	44	.	.	PUNCT
eurjchem-2551	150	1	in	in	ADP
eurjchem-2551	150	2	the	the	DET
eurjchem-2551	150	3	13c	13c	NOUN
eurjchem-2551	150	4	nmr	nmr	NOUN
eurjchem-2551	150	5	spectra	spectra	NOUN
eurjchem-2551	150	6	of	of	ADP
eurjchem-2551	150	7	title	title	NOUN
eurjchem-2551	150	8	compounds	compound	VERB
eurjchem-2551	150	9	i	i	PRON
eurjchem-2551	150	10	and	and	CCONJ
eurjchem-2551	150	11	ii	ii	PROPN
eurjchem-2551	150	12	,	,	PUNCT
eurjchem-2551	150	13	the	the	DET
eurjchem-2551	150	14	signals	signal	NOUN
eurjchem-2551	150	15	observed	observe	VERB
eurjchem-2551	150	16	in	in	ADP
eurjchem-2551	150	17	the	the	DET
eurjchem-2551	150	18	region	region	NOUN
eurjchem-2551	150	19	of	of	ADP
eurjchem-2551	150	20	δ	δ	PROPN
eurjchem-2551	150	21	168.0	168.0	NUM
eurjchem-2551	150	22	and	and	CCONJ
eurjchem-2551	150	23	167.0	167.0	NUM
eurjchem-2551	150	24	ppm	ppm	NOUN
eurjchem-2551	150	25	and	and	CCONJ
eurjchem-2551	150	26	δ	δ	PROPN
eurjchem-2551	150	27	180.7	180.7	NUM
eurjchem-2551	150	28	and	and	CCONJ
eurjchem-2551	150	29	δ	δ	PROPN
eurjchem-2551	150	30	180.9	180.9	NUM
eurjchem-2551	150	31	ppm	ppm	NOUN
eurjchem-2551	150	32	clearly	clearly	ADV
eurjchem-2551	150	33	describe	describe	VERB
eurjchem-2551	150	34	the	the	DET
eurjchem-2551	150	35	c	c	NOUN
eurjchem-2551	150	36	=	=	NOUN
eurjchem-2551	150	37	o	o	NOUN
eurjchem-2551	150	38	and	and	CCONJ
eurjchem-2551	150	39	c	c	NOUN
eurjchem-2551	150	40	=	=	NOUN
eurjchem-2551	150	41	s	s	NOUN
eurjchem-2551	150	42	carbons	carbon	NOUN
eurjchem-2551	150	43	,	,	PUNCT
eurjchem-2551	150	44	respectively	respectively	ADV
eurjchem-2551	150	45	.	.	PUNCT
eurjchem-2551	151	1	additionally	additionally	ADV
eurjchem-2551	151	2	,	,	PUNCT
eurjchem-2551	151	3	the	the	DET
eurjchem-2551	151	4	peaks	peak	NOUN
eurjchem-2551	151	5	observed	observe	VERB
eurjchem-2551	151	6	in	in	ADP
eurjchem-2551	151	7	the	the	DET
eurjchem-2551	151	8	aromatic	aromatic	ADJ
eurjchem-2551	151	9	region	region	NOUN
eurjchem-2551	151	10	confirmed	confirm	VERB
eurjchem-2551	151	11	the	the	DET
eurjchem-2551	151	12	structures	structure	NOUN
eurjchem-2551	151	13	(	(	PUNCT
eurjchem-2551	151	14	scheme	scheme	NOUN
eurjchem-2551	151	15	2	2	NUM
eurjchem-2551	151	16	)	)	PUNCT
eurjchem-2551	151	17	.	.	PUNCT
eurjchem-2551	152	1	3.3	3.3	NUM
eurjchem-2551	152	2	.	.	PUNCT
eurjchem-2551	153	1	mulliken	mulliken	PROPN
eurjchem-2551	153	2	atomic	atomic	ADJ
eurjchem-2551	153	3	charge	charge	NOUN
eurjchem-2551	153	4	analysis	analysis	NOUN
eurjchem-2551	153	5	because	because	SCONJ
eurjchem-2551	153	6	atomic	atomic	ADJ
eurjchem-2551	153	7	charges	charge	NOUN
eurjchem-2551	153	8	determine	determine	VERB
eurjchem-2551	153	9	the	the	DET
eurjchem-2551	153	10	dipole	dipole	NOUN
eurjchem-2551	153	11	moment	moment	NOUN
eurjchem-2551	153	12	,	,	PUNCT
eurjchem-2551	153	13	the	the	DET
eurjchem-2551	153	14	molecular	molecular	ADJ
eurjchem-2551	153	15	polarization	polarization	NOUN
eurjchem-2551	153	16	and	and	CCONJ
eurjchem-2551	153	17	bond	bond	NOUN
eurjchem-2551	153	18	properties	property	NOUN
eurjchem-2551	153	19	of	of	ADP
eurjchem-2551	153	20	a	a	DET
eurjchem-2551	153	21	molecule	molecule	NOUN
eurjchem-2551	153	22	.	.	PUNCT
eurjchem-2551	154	1	the	the	DET
eurjchem-2551	154	2	calculation	calculation	NOUN
eurjchem-2551	154	3	of	of	ADP
eurjchem-2551	154	4	the	the	DET
eurjchem-2551	154	5	mulliken	mulliken	PROPN
eurjchem-2551	154	6	atomic	atomic	ADJ
eurjchem-2551	154	7	charge	charge	NOUN
eurjchem-2551	154	8	plays	play	VERB
eurjchem-2551	154	9	an	an	DET
eurjchem-2551	154	10	important	important	ADJ
eurjchem-2551	154	11	role	role	NOUN
eurjchem-2551	154	12	[	[	X
eurjchem-2551	154	13	38	38	NUM
eurjchem-2551	154	14	]	]	PUNCT
eurjchem-2551	154	15	.	.	PUNCT
eurjchem-2551	155	1	the	the	DET
eurjchem-2551	155	2	mulliken	mulliken	ADJ
eurjchem-2551	155	3	population	population	NOUN
eurjchem-2551	155	4	analysis	analysis	NOUN
eurjchem-2551	155	5	was	be	AUX
eurjchem-2551	155	6	performed	perform	VERB
eurjchem-2551	155	7	using	use	VERB
eurjchem-2551	155	8	the	the	DET
eurjchem-2551	155	9	dft	dft	PROPN
eurjchem-2551	155	10	/	/	SYM
eurjchem-2551	155	11	b3lyp	b3lyp	PROPN
eurjchem-2551	155	12	calculation	calculation	NOUN
eurjchem-2551	155	13	method	method	NOUN
eurjchem-2551	155	14	with	with	ADP
eurjchem-2551	155	15	6	6	NUM
eurjchem-2551	155	16	-	-	SYM
eurjchem-2551	155	17	311+g(d	311+g(d	NOUN
eurjchem-2551	155	18	,	,	PUNCT
eurjchem-2551	155	19	p	p	NOUN
eurjchem-2551	155	20	)	)	PUNCT
eurjchem-2551	155	21	basis	basis	NOUN
eurjchem-2551	155	22	set	set	NOUN
eurjchem-2551	155	23	for	for	ADP
eurjchem-2551	155	24	the	the	DET
eurjchem-2551	155	25	title	title	NOUN
eurjchem-2551	155	26	compounds	compound	VERB
eurjchem-2551	155	27	.	.	PUNCT
eurjchem-2551	156	1	graphical	graphical	ADJ
eurjchem-2551	156	2	reorientations	reorientation	NOUN
eurjchem-2551	156	3	of	of	ADP
eurjchem-2551	156	4	the	the	DET
eurjchem-2551	156	5	mulliken	mulliken	NOUN
eurjchem-2551	156	6	charge	charge	NOUN
eurjchem-2551	156	7	distribution	distribution	NOUN
eurjchem-2551	156	8	of	of	ADP
eurjchem-2551	156	9	the	the	DET
eurjchem-2551	156	10	title	title	NOUN
eurjchem-2551	156	11	compounds	compound	VERB
eurjchem-2551	156	12	i	i	PRON
eurjchem-2551	156	13	and	and	CCONJ
eurjchem-2551	156	14	ii	ii	PROPN
eurjchem-2551	156	15	are	be	AUX
eurjchem-2551	156	16	shown	show	VERB
eurjchem-2551	156	17	in	in	ADP
eurjchem-2551	156	18	figure	figure	NOUN
eurjchem-2551	156	19	7	7	NUM
eurjchem-2551	156	20	.	.	PUNCT
eurjchem-2551	157	1	the	the	DET
eurjchem-2551	157	2	hydrogen	hydrogen	NOUN
eurjchem-2551	157	3	atoms	atom	NOUN
eurjchem-2551	157	4	are	be	AUX
eurjchem-2551	157	5	all	all	PRON
eurjchem-2551	157	6	positively	positively	ADV
eurjchem-2551	157	7	charged	charge	VERB
eurjchem-2551	157	8	,	,	PUNCT
eurjchem-2551	157	9	but	but	CCONJ
eurjchem-2551	157	10	those	those	PRON
eurjchem-2551	157	11	bonded	bond	VERB
eurjchem-2551	157	12	to	to	ADP
eurjchem-2551	157	13	the	the	DET
eurjchem-2551	157	14	nitrogen	nitrogen	NOUN
eurjchem-2551	157	15	atoms	atom	NOUN
eurjchem-2551	157	16	are	be	AUX
eurjchem-2551	157	17	the	the	DET
eurjchem-2551	157	18	most	most	ADV
eurjchem-2551	157	19	positively	positively	ADV
eurjchem-2551	157	20	charged	charge	VERB
eurjchem-2551	157	21	.	.	PUNCT
eurjchem-2551	158	1	similarly	similarly	ADV
eurjchem-2551	158	2	,	,	PUNCT
eurjchem-2551	158	3	the	the	DET
eurjchem-2551	158	4	nitrogen	nitrogen	NOUN
eurjchem-2551	158	5	atoms	atom	NOUN
eurjchem-2551	158	6	conjugated	conjugate	VERB
eurjchem-2551	158	7	with	with	ADP
eurjchem-2551	158	8	the	the	DET
eurjchem-2551	158	9	carbonyl	carbonyl	NOUN
eurjchem-2551	158	10	and	and	CCONJ
eurjchem-2551	158	11	thiocarbonyl	thiocarbonyl	ADJ
eurjchem-2551	158	12	groups	group	NOUN
eurjchem-2551	158	13	of	of	ADP
eurjchem-2551	158	14	the	the	DET
eurjchem-2551	158	15	title	title	NOUN
eurjchem-2551	158	16	compounds	compound	VERB
eurjchem-2551	158	17	i	i	PRON
eurjchem-2551	158	18	and	and	CCONJ
eurjchem-2551	158	19	ii	ii	PROPN
eurjchem-2551	158	20	are	be	AUX
eurjchem-2551	158	21	highly	highly	ADV
eurjchem-2551	158	22	negative	negative	ADJ
eurjchem-2551	158	23	charges	charge	NOUN
eurjchem-2551	158	24	(	(	PUNCT
eurjchem-2551	158	25	-0.392	-0.392	PROPN
eurjchem-2551	158	26	,	,	PUNCT
eurjchem-2551	158	27	-0.414	-0.414	PUNCT
eurjchem-2551	158	28	esu	esu	NOUN
eurjchem-2551	158	29	and	and	CCONJ
eurjchem-2551	158	30	-0.407	-0.407	PROPN
eurjchem-2551	158	31	,	,	PUNCT
eurjchem-2551	158	32	-0.418	-0.418	X
eurjchem-2551	158	33	esu	esu	NOUN
eurjchem-2551	158	34	)	)	PUNCT
eurjchem-2551	158	35	,	,	PUNCT
eurjchem-2551	158	36	respectively	respectively	ADV
eurjchem-2551	158	37	,	,	PUNCT
eurjchem-2551	158	38	while	while	SCONJ
eurjchem-2551	158	39	the	the	DET
eurjchem-2551	158	40	nitrogen	nitrogen	NOUN
eurjchem-2551	158	41	atom	atom	NOUN
eurjchem-2551	158	42	of	of	ADP
eurjchem-2551	158	43	the	the	DET
eurjchem-2551	158	44	nitro	nitro	NOUN
eurjchem-2551	158	45	group	group	NOUN
eurjchem-2551	158	46	of	of	ADP
eurjchem-2551	158	47	compound	compound	PROPN
eurjchem-2551	158	48	ii	ii	PROPN
eurjchem-2551	158	49	has	have	VERB
eurjchem-2551	158	50	a	a	DET
eurjchem-2551	158	51	positive	positive	ADJ
eurjchem-2551	158	52	charge	charge	NOUN
eurjchem-2551	158	53	(	(	PUNCT
eurjchem-2551	158	54	0.186	0.186	NUM
eurjchem-2551	158	55	esu	esu	NOUN
eurjchem-2551	158	56	)	)	PUNCT
eurjchem-2551	158	57	.	.	PUNCT
eurjchem-2551	159	1	in	in	ADP
eurjchem-2551	159	2	compounds	compound	NOUN
eurjchem-2551	159	3	i	i	PRON
eurjchem-2551	159	4	and	and	CCONJ
eurjchem-2551	159	5	ii	ii	PROPN
eurjchem-2551	159	6	,	,	PUNCT
eurjchem-2551	159	7	it	it	PRON
eurjchem-2551	159	8	has	have	AUX
eurjchem-2551	159	9	been	be	AUX
eurjchem-2551	159	10	observed	observe	VERB
eurjchem-2551	159	11	that	that	SCONJ
eurjchem-2551	159	12	the	the	DET
eurjchem-2551	159	13	carbon	carbon	NOUN
eurjchem-2551	159	14	atoms	atom	NOUN
eurjchem-2551	159	15	in	in	ADP
eurjchem-2551	159	16	the	the	DET
eurjchem-2551	159	17	phenyl	phenyl	NOUN
eurjchem-2551	159	18	ring	ring	NOUN
eurjchem-2551	159	19	to	to	PART
eurjchem-2551	159	20	which	which	PRON
eurjchem-2551	159	21	it	it	PRON
eurjchem-2551	159	22	is	be	AUX
eurjchem-2551	159	23	attached	attach	VERB
eurjchem-2551	159	24	have	have	VERB
eurjchem-2551	159	25	a	a	DET
eurjchem-2551	159	26	negative	negative	ADJ
eurjchem-2551	159	27	charge	charge	NOUN
eurjchem-2551	159	28	,	,	PUNCT
eurjchem-2551	159	29	while	while	SCONJ
eurjchem-2551	159	30	the	the	DET
eurjchem-2551	159	31	bromine	bromine	NOUN
eurjchem-2551	159	32	atoms	atom	NOUN
eurjchem-2551	159	33	have	have	VERB
eurjchem-2551	159	34	very	very	ADV
eurjchem-2551	159	35	little	little	ADJ
eurjchem-2551	159	36	positive	positive	ADJ
eurjchem-2551	159	37	charge	charge	NOUN
eurjchem-2551	159	38	0.004	0.004	NUM
eurjchem-2551	159	39	-	-	SYM
eurjchem-2551	159	40	0.017	0.017	NUM
eurjchem-2551	159	41	esu	esu	NOUN
eurjchem-2551	159	42	and	and	CCONJ
eurjchem-2551	159	43	0.009	0.009	NUM
eurjchem-2551	159	44	-	-	PUNCT
eurjchem-2551	159	45	0.027	0.027	NUM
eurjchem-2551	159	46	esu	esu	NOUN
eurjchem-2551	159	47	,	,	PUNCT
eurjchem-2551	159	48	respecttively	respecttively	ADV
eurjchem-2551	159	49	.	.	PUNCT
eurjchem-2551	160	1	the	the	DET
eurjchem-2551	160	2	highest	high	ADJ
eurjchem-2551	160	3	positive	positive	ADJ
eurjchem-2551	160	4	atomic	atomic	ADJ
eurjchem-2551	160	5	charge	charge	NOUN
eurjchem-2551	160	6	was	be	AUX
eurjchem-2551	160	7	0.466	0.466	NUM
eurjchem-2551	160	8	in	in	ADP
eurjchem-2551	160	9	compound	compound	NOUN
eurjchem-2551	160	10	i	i	PRON
eurjchem-2551	160	11	,	,	PUNCT
eurjchem-2551	160	12	but	but	CCONJ
eurjchem-2551	160	13	also	also	ADV
eurjchem-2551	160	14	with	with	SCONJ
eurjchem-2551	160	15	0.492	0.492	NUM
eurjchem-2551	160	16	compound	compound	NOUN
eurjchem-2551	160	17	ii	ii	PROPN
eurjchem-2551	160	18	has	have	VERB
eurjchem-2551	160	19	a	a	DET
eurjchem-2551	160	20	higher	high	ADJ
eurjchem-2551	160	21	positive	positive	ADJ
eurjchem-2551	160	22	carbon	carbon	NOUN
eurjchem-2551	160	23	atom	atom	NOUN
eurjchem-2551	160	24	charge	charge	NOUN
eurjchem-2551	160	25	of	of	ADP
eurjchem-2551	160	26	the	the	DET
eurjchem-2551	160	27	carbonyl	carbonyl	NOUN
eurjchem-2551	160	28	group	group	NOUN
eurjchem-2551	160	29	.	.	PUNCT
eurjchem-2551	161	1	therefore	therefore	ADV
eurjchem-2551	161	2	,	,	PUNCT
eurjchem-2551	161	3	carbonyl	carbonyl	NOUN
eurjchem-2551	161	4	groups	group	NOUN
eurjchem-2551	161	5	are	be	AUX
eurjchem-2551	161	6	a	a	DET
eurjchem-2551	161	7	reactive	reactive	ADJ
eurjchem-2551	161	8	moiety	moiety	NOUN
eurjchem-2551	161	9	in	in	ADP
eurjchem-2551	161	10	these	these	DET
eurjchem-2551	161	11	compounds	compound	NOUN
eurjchem-2551	161	12	.	.	PUNCT
eurjchem-2551	162	1	3.4	3.4	NUM
eurjchem-2551	162	2	.	.	PUNCT
eurjchem-2551	163	1	molecular	molecular	ADJ
eurjchem-2551	163	2	electrostatic	electrostatic	ADJ
eurjchem-2551	163	3	potential	potential	NOUN
eurjchem-2551	163	4	(	(	PUNCT
eurjchem-2551	163	5	mep	mep	PROPN
eurjchem-2551	163	6	)	)	PUNCT
eurjchem-2551	163	7	the	the	DET
eurjchem-2551	163	8	molecular	molecular	ADJ
eurjchem-2551	163	9	electrostatic	electrostatic	ADJ
eurjchem-2551	163	10	potential	potential	NOUN
eurjchem-2551	163	11	(	(	PUNCT
eurjchem-2551	163	12	mep	mep	PROPN
eurjchem-2551	163	13	)	)	PUNCT
eurjchem-2551	163	14	helps	help	VERB
eurjchem-2551	163	15	interpret	interpret	VERB
eurjchem-2551	163	16	detailed	detailed	ADJ
eurjchem-2551	163	17	information	information	NOUN
eurjchem-2551	163	18	about	about	ADP
eurjchem-2551	163	19	many	many	ADJ
eurjchem-2551	163	20	properties	property	NOUN
eurjchem-2551	163	21	of	of	ADP
eurjchem-2551	163	22	a	a	DET
eurjchem-2551	163	23	compound	compound	NOUN
eurjchem-2551	163	24	,	,	PUNCT
eurjchem-2551	163	25	such	such	ADJ
eurjchem-2551	163	26	as	as	ADP
eurjchem-2551	163	27	chemical	chemical	ADJ
eurjchem-2551	163	28	reactivity	reactivity	NOUN
eurjchem-2551	163	29	or	or	CCONJ
eurjchem-2551	163	30	biological	biological	ADJ
eurjchem-2551	163	31	activity	activity	NOUN
eurjchem-2551	163	32	.	.	PUNCT
eurjchem-2551	164	1	the	the	DET
eurjchem-2551	164	2	spatial	spatial	ADJ
eurjchem-2551	164	3	distribution	distribution	NOUN
eurjchem-2551	164	4	and	and	CCONJ
eurjchem-2551	164	5	values	value	NOUN
eurjchem-2551	164	6	of	of	ADP
eurjchem-2551	164	7	the	the	DET
eurjchem-2551	164	8	electrostatic	electrostatic	ADJ
eurjchem-2551	164	9	potential	potential	NOUN
eurjchem-2551	164	10	determine	determine	VERB
eurjchem-2551	164	11	the	the	DET
eurjchem-2551	164	12	attack	attack	NOUN
eurjchem-2551	164	13	regions	region	NOUN
eurjchem-2551	164	14	of	of	ADP
eurjchem-2551	164	15	an	an	DET
eurjchem-2551	164	16	electrophilic	electrophilic	ADJ
eurjchem-2551	164	17	or	or	CCONJ
eurjchem-2551	164	18	nucleophilic	nucleophilic	ADJ
eurjchem-2551	164	19	unit	unit	NOUN
eurjchem-2551	164	20	on	on	ADP
eurjchem-2551	164	21	the	the	DET
eurjchem-2551	164	22	molecule	molecule	NOUN
eurjchem-2551	164	23	[	[	X
eurjchem-2551	164	24	39	39	NUM
eurjchem-2551	164	25	]	]	PUNCT
eurjchem-2551	164	26	.	.	PUNCT
eurjchem-2551	165	1	162	162	NUM
eurjchem-2551	165	2	arslan	arslan	NOUN
eurjchem-2551	165	3	and	and	CCONJ
eurjchem-2551	165	4	aydin	aydin	PROPN
eurjchem-2551	165	5	/	/	SYM
eurjchem-2551	165	6	european	european	ADJ
eurjchem-2551	165	7	journal	journal	PROPN
eurjchem-2551	165	8	of	of	ADP
eurjchem-2551	165	9	chemistry	chemistry	NOUN
eurjchem-2551	165	10	15	15	NUM
eurjchem-2551	165	11	(	(	PUNCT
eurjchem-2551	165	12	2	2	NUM
eurjchem-2551	165	13	)	)	PUNCT
eurjchem-2551	165	14	(	(	PUNCT
eurjchem-2551	165	15	2024	2024	NUM
eurjchem-2551	165	16	)	)	PUNCT
eurjchem-2551	165	17	155	155	NUM
eurjchem-2551	165	18	-	-	SYM
eurjchem-2551	165	19	165	165	NUM
eurjchem-2551	165	20	2024	2024	NUM
eurjchem-2551	165	21	–	–	PUNCT
eurjchem-2551	165	22	european	european	ADJ
eurjchem-2551	165	23	journal	journal	NOUN
eurjchem-2551	165	24	of	of	ADP
eurjchem-2551	165	25	chemistry	chemistry	NOUN
eurjchem-2551	165	26	–	–	PUNCT
eurjchem-2551	165	27	cc	cc	NOUN
eurjchem-2551	165	28	by	by	ADP
eurjchem-2551	165	29	nc	nc	PROPN
eurjchem-2551	165	30	–	–	PUNCT
eurjchem-2551	165	31	doi	doi	PROPN
eurjchem-2551	165	32	:	:	PUNCT
eurjchem-2551	165	33	10.5155	10.5155	NUM
eurjchem-2551	165	34	/	/	SYM
eurjchem-2551	165	35	eurjchem.15.2.155	eurjchem.15.2.155	NOUN
eurjchem-2551	165	36	-	-	SYM
eurjchem-2551	165	37	165.2551	165.2551	NUM
eurjchem-2551	165	38	compound	compound	NOUN
eurjchem-2551	165	39	i	i	PRON
eurjchem-2551	165	40	compound	compound	NOUN
eurjchem-2551	165	41	ii	ii	PROPN
eurjchem-2551	165	42	figure	figure	NOUN
eurjchem-2551	165	43	8	8	NUM
eurjchem-2551	165	44	.	.	PUNCT
eurjchem-2551	166	1	molecular	molecular	ADJ
eurjchem-2551	166	2	electrostatic	electrostatic	ADJ
eurjchem-2551	166	3	potential	potential	NOUN
eurjchem-2551	166	4	(	(	PUNCT
eurjchem-2551	166	5	mep	mep	PROPN
eurjchem-2551	166	6	)	)	PUNCT
eurjchem-2551	166	7	maps	map	NOUN
eurjchem-2551	166	8	calculated	calculate	VERB
eurjchem-2551	166	9	of	of	ADP
eurjchem-2551	166	10	the	the	DET
eurjchem-2551	166	11	title	title	NOUN
eurjchem-2551	166	12	compounds	compound	VERB
eurjchem-2551	166	13	i	i	PRON
eurjchem-2551	166	14	and	and	CCONJ
eurjchem-2551	166	15	ii	ii	PROPN
eurjchem-2551	166	16	at	at	ADP
eurjchem-2551	166	17	b3lyp/6	b3lyp/6	PROPN
eurjchem-2551	166	18	-	-	PROPN
eurjchem-2551	166	19	311g(d	311g(d	NUM
eurjchem-2551	166	20	,	,	PUNCT
eurjchem-2551	166	21	p	p	NOUN
eurjchem-2551	166	22	)	)	PUNCT
eurjchem-2551	166	23	level	level	NOUN
eurjchem-2551	166	24	.	.	PUNCT
eurjchem-2551	167	1	elumo	elumo	PROPN
eurjchem-2551	167	2	=	=	SYM
eurjchem-2551	167	3	-2.2939	-2.2939	PROPN
eurjchem-2551	167	4	ev	ev	ADP
eurjchem-2551	168	1	elumo	elumo	PROPN
eurjchem-2551	168	2	=	=	SYM
eurjchem-2551	168	3	-3.1891	-3.1891	NOUN
eurjchem-2551	168	4	ev	ev	INTJ
eurjchem-2551	168	5	δe	δe	NOUN
eurjchem-2551	168	6	=	=	PROPN
eurjchem-2551	168	7	3.8133	3.8133	NUM
eurjchem-2551	168	8	ev	ev	INTJ
eurjchem-2551	168	9	δe	δe	NOUN
eurjchem-2551	168	10	=	=	PROPN
eurjchem-2551	168	11	3.4950	3.4950	NUM
eurjchem-2551	168	12	ev	ev	INTJ
eurjchem-2551	168	13	ehomo	ehomo	NOUN
eurjchem-2551	168	14	=	=	SYM
eurjchem-2551	168	15	-6.1072	-6.1072	NOUN
eurjchem-2551	168	16	ev	ev	INTJ
eurjchem-2551	168	17	ehomo	ehomo	NOUN
eurjchem-2551	168	18	=	=	SYM
eurjchem-2551	168	19	-6.6841	-6.6841	NOUN
eurjchem-2551	168	20	ev	ev	X
eurjchem-2551	168	21	compound	compound	PROPN
eurjchem-2551	168	22	i	i	PRON
eurjchem-2551	168	23	compound	compound	NOUN
eurjchem-2551	168	24	ii	ii	PROPN
eurjchem-2551	168	25	figure	figure	NOUN
eurjchem-2551	168	26	9	9	NUM
eurjchem-2551	168	27	.	.	PUNCT
eurjchem-2551	169	1	homo	homo	NOUN
eurjchem-2551	169	2	-	-	PUNCT
eurjchem-2551	169	3	lumo	lumo	NOUN
eurjchem-2551	169	4	plot	plot	NOUN
eurjchem-2551	169	5	of	of	ADP
eurjchem-2551	169	6	compounds	compound	NOUN
eurjchem-2551	169	7	i	i	PRON
eurjchem-2551	169	8	and	and	CCONJ
eurjchem-2551	169	9	ii	ii	PROPN
eurjchem-2551	169	10	.	.	PUNCT
eurjchem-2551	170	1	the	the	DET
eurjchem-2551	170	2	total	total	ADJ
eurjchem-2551	170	3	electronic	electronic	ADJ
eurjchem-2551	170	4	density	density	NOUN
eurjchem-2551	170	5	and	and	CCONJ
eurjchem-2551	170	6	the	the	DET
eurjchem-2551	170	7	mep	mep	PROPN
eurjchem-2551	170	8	surface	surface	NOUN
eurjchem-2551	170	9	of	of	ADP
eurjchem-2551	170	10	the	the	DET
eurjchem-2551	170	11	title	title	NOUN
eurjchem-2551	170	12	molecules	molecule	NOUN
eurjchem-2551	170	13	are	be	AUX
eurjchem-2551	170	14	constructed	construct	VERB
eurjchem-2551	170	15	using	use	VERB
eurjchem-2551	170	16	the	the	DET
eurjchem-2551	170	17	b3lyp/6	b3lyp/6	NOUN
eurjchem-2551	170	18	-	-	PROPN
eurjchem-2551	170	19	311	311	NUM
eurjchem-2551	170	20	g	g	NOUN
eurjchem-2551	170	21	(	(	PUNCT
eurjchem-2551	170	22	d	d	PROPN
eurjchem-2551	170	23	,	,	PUNCT
eurjchem-2551	170	24	p	p	NOUN
eurjchem-2551	170	25	)	)	PUNCT
eurjchem-2551	170	26	method	method	NOUN
eurjchem-2551	170	27	and	and	CCONJ
eurjchem-2551	170	28	are	be	AUX
eurjchem-2551	170	29	shown	show	VERB
eurjchem-2551	170	30	in	in	ADP
eurjchem-2551	170	31	figure	figure	NOUN
eurjchem-2551	170	32	8	8	NUM
eurjchem-2551	170	33	.	.	PUNCT
eurjchem-2551	171	1	electronegative	electronegative	ADJ
eurjchem-2551	171	2	and	and	CCONJ
eurjchem-2551	171	3	electropositive	electropositive	ADJ
eurjchem-2551	171	4	regions	region	NOUN
eurjchem-2551	171	5	of	of	ADP
eurjchem-2551	171	6	the	the	DET
eurjchem-2551	171	7	mep	mep	PROPN
eurjchem-2551	171	8	surface	surface	NOUN
eurjchem-2551	171	9	are	be	AUX
eurjchem-2551	171	10	identified	identify	VERB
eurjchem-2551	171	11	by	by	ADP
eurjchem-2551	171	12	the	the	DET
eurjchem-2551	171	13	color	color	NOUN
eurjchem-2551	171	14	scheme	scheme	NOUN
eurjchem-2551	171	15	.	.	PUNCT
eurjchem-2551	172	1	the	the	DET
eurjchem-2551	172	2	red	red	ADJ
eurjchem-2551	172	3	color	color	NOUN
eurjchem-2551	172	4	is	be	AUX
eurjchem-2551	172	5	rich	rich	ADJ
eurjchem-2551	172	6	in	in	ADP
eurjchem-2551	172	7	electrons	electron	NOUN
eurjchem-2551	172	8	and	and	CCONJ
eurjchem-2551	172	9	partially	partially	ADV
eurjchem-2551	172	10	negatively	negatively	ADV
eurjchem-2551	172	11	charged	charge	VERB
eurjchem-2551	172	12	;	;	PUNCT
eurjchem-2551	172	13	yellow	yellow	ADJ
eurjchem-2551	172	14	and	and	CCONJ
eurjchem-2551	172	15	green	green	ADJ
eurjchem-2551	172	16	are	be	AUX
eurjchem-2551	172	17	defined	define	VERB
eurjchem-2551	172	18	as	as	ADP
eurjchem-2551	172	19	neutral	neutral	ADJ
eurjchem-2551	172	20	ranges	range	NOUN
eurjchem-2551	172	21	and	and	CCONJ
eurjchem-2551	172	22	blue	blue	NOUN
eurjchem-2551	172	23	is	be	AUX
eurjchem-2551	172	24	defined	define	VERB
eurjchem-2551	172	25	as	as	ADP
eurjchem-2551	172	26	the	the	DET
eurjchem-2551	172	27	electron	electron	NOUN
eurjchem-2551	172	28	-	-	PUNCT
eurjchem-2551	172	29	deficient	deficient	ADJ
eurjchem-2551	172	30	,	,	PUNCT
eurjchem-2551	172	31	partially	partially	ADV
eurjchem-2551	172	32	positive	positive	ADJ
eurjchem-2551	172	33	charge	charge	NOUN
eurjchem-2551	172	34	region	region	NOUN
eurjchem-2551	173	1	[	[	X
eurjchem-2551	173	2	40	40	NUM
eurjchem-2551	173	3	]	]	PUNCT
eurjchem-2551	173	4	.	.	PUNCT
eurjchem-2551	174	1	these	these	DET
eurjchem-2551	174	2	mep	mep	PROPN
eurjchem-2551	174	3	maps	map	NOUN
eurjchem-2551	174	4	for	for	ADP
eurjchem-2551	174	5	compounds	compound	NOUN
eurjchem-2551	174	6	i	i	PRON
eurjchem-2551	174	7	and	and	CCONJ
eurjchem-2551	174	8	ii	ii	PROPN
eurjchem-2551	174	9	show	show	VERB
eurjchem-2551	174	10	that	that	SCONJ
eurjchem-2551	174	11	the	the	DET
eurjchem-2551	174	12	sulfur	sulfur	NOUN
eurjchem-2551	174	13	atom	atom	NOUN
eurjchem-2551	174	14	,	,	PUNCT
eurjchem-2551	174	15	as	as	ADV
eurjchem-2551	174	16	well	well	ADV
eurjchem-2551	174	17	as	as	ADP
eurjchem-2551	174	18	the	the	DET
eurjchem-2551	174	19	carbonyl	carbonyl	NOUN
eurjchem-2551	174	20	oxygen	oxygen	NOUN
eurjchem-2551	174	21	atom	atom	NOUN
eurjchem-2551	174	22	,	,	PUNCT
eurjchem-2551	174	23	is	be	AUX
eurjchem-2551	174	24	a	a	DET
eurjchem-2551	174	25	possible	possible	ADJ
eurjchem-2551	174	26	site	site	NOUN
eurjchem-2551	174	27	for	for	ADP
eurjchem-2551	174	28	electrophilic	electrophilic	ADJ
eurjchem-2551	174	29	attack	attack	NOUN
eurjchem-2551	174	30	due	due	ADP
eurjchem-2551	174	31	to	to	ADP
eurjchem-2551	174	32	the	the	DET
eurjchem-2551	174	33	tribromophenyl	tribromophenyl	NOUN
eurjchem-2551	174	34	ring	ring	NOUN
eurjchem-2551	174	35	,	,	PUNCT
eurjchem-2551	174	36	and	and	CCONJ
eurjchem-2551	174	37	the	the	DET
eurjchem-2551	174	38	nucleophilic	nucleophilic	ADJ
eurjchem-2551	174	39	attack	attack	NOUN
eurjchem-2551	174	40	sites	site	NOUN
eurjchem-2551	174	41	are	be	AUX
eurjchem-2551	174	42	located	locate	VERB
eurjchem-2551	174	43	on	on	ADP
eurjchem-2551	174	44	the	the	DET
eurjchem-2551	174	45	hydrogen	hydrogen	NOUN
eurjchem-2551	174	46	atoms	atom	NOUN
eurjchem-2551	174	47	bonded	bond	VERB
eurjchem-2551	174	48	to	to	ADP
eurjchem-2551	174	49	nitrogen	nitrogen	NOUN
eurjchem-2551	174	50	atoms	atom	NOUN
eurjchem-2551	174	51	.	.	PUNCT
eurjchem-2551	175	1	these	these	DET
eurjchem-2551	175	2	mep	mep	PROPN
eurjchem-2551	175	3	maps	map	NOUN
eurjchem-2551	175	4	for	for	ADP
eurjchem-2551	175	5	compounds	compound	NOUN
eurjchem-2551	175	6	i	i	PRON
eurjchem-2551	175	7	and	and	CCONJ
eurjchem-2551	175	8	ii	ii	PROPN
eurjchem-2551	175	9	show	show	VERB
eurjchem-2551	175	10	that	that	SCONJ
eurjchem-2551	175	11	the	the	DET
eurjchem-2551	175	12	s	s	NOUN
eurjchem-2551	175	13	atom	atom	NOUN
eurjchem-2551	175	14	,	,	PUNCT
eurjchem-2551	175	15	as	as	ADV
eurjchem-2551	175	16	well	well	ADV
eurjchem-2551	175	17	as	as	ADP
eurjchem-2551	175	18	the	the	DET
eurjchem-2551	175	19	carbonyl	carbonyl	NOUN
eurjchem-2551	175	20	o	o	NOUN
eurjchem-2551	175	21	atom	atom	NOUN
eurjchem-2551	175	22	,	,	PUNCT
eurjchem-2551	175	23	is	be	AUX
eurjchem-2551	175	24	a	a	DET
eurjchem-2551	175	25	possible	possible	ADJ
eurjchem-2551	175	26	site	site	NOUN
eurjchem-2551	175	27	for	for	ADP
eurjchem-2551	175	28	electrophilic	electrophilic	ADJ
eurjchem-2551	175	29	attack	attack	NOUN
eurjchem-2551	175	30	due	due	ADP
eurjchem-2551	175	31	to	to	ADP
eurjchem-2551	175	32	the	the	DET
eurjchem-2551	175	33	tribromophenyl	tribromophenyl	NOUN
eurjchem-2551	175	34	ring	ring	NOUN
eurjchem-2551	175	35	,	,	PUNCT
eurjchem-2551	175	36	and	and	CCONJ
eurjchem-2551	175	37	the	the	DET
eurjchem-2551	175	38	nucleophilic	nucleophilic	ADJ
eurjchem-2551	175	39	attack	attack	NOUN
eurjchem-2551	175	40	sites	site	NOUN
eurjchem-2551	175	41	are	be	AUX
eurjchem-2551	175	42	located	locate	VERB
eurjchem-2551	175	43	on	on	ADP
eurjchem-2551	175	44	the	the	DET
eurjchem-2551	175	45	hydrogen	hydrogen	NOUN
eurjchem-2551	175	46	atoms	atom	NOUN
eurjchem-2551	175	47	bonded	bond	VERB
eurjchem-2551	175	48	to	to	ADP
eurjchem-2551	175	49	nitrogen	nitrogen	NOUN
eurjchem-2551	175	50	atoms	atom	NOUN
eurjchem-2551	175	51	.	.	PUNCT
eurjchem-2551	176	1	the	the	DET
eurjchem-2551	176	2	results	result	NOUN
eurjchem-2551	176	3	show	show	VERB
eurjchem-2551	176	4	that	that	SCONJ
eurjchem-2551	176	5	the	the	DET
eurjchem-2551	176	6	most	most	ADV
eurjchem-2551	176	7	reactive	reactive	ADJ
eurjchem-2551	176	8	region	region	NOUN
eurjchem-2551	176	9	of	of	ADP
eurjchem-2551	176	10	these	these	DET
eurjchem-2551	176	11	compounds	compound	NOUN
eurjchem-2551	176	12	is	be	AUX
eurjchem-2551	176	13	the	the	DET
eurjchem-2551	176	14	region	region	NOUN
eurjchem-2551	176	15	containing	contain	VERB
eurjchem-2551	176	16	the	the	DET
eurjchem-2551	176	17	sulfur	sulfur	NOUN
eurjchem-2551	176	18	atom	atom	NOUN
eurjchem-2551	176	19	,	,	PUNCT
eurjchem-2551	176	20	and	and	CCONJ
eurjchem-2551	176	21	provide	provide	VERB
eurjchem-2551	176	22	information	information	NOUN
eurjchem-2551	176	23	about	about	ADP
eurjchem-2551	176	24	the	the	DET
eurjchem-2551	176	25	region	region	NOUN
eurjchem-2551	176	26	where	where	SCONJ
eurjchem-2551	176	27	the	the	DET
eurjchem-2551	176	28	compound	compound	NOUN
eurjchem-2551	176	29	may	may	AUX
eurjchem-2551	176	30	have	have	VERB
eurjchem-2551	176	31	intermolecular	intermolecular	ADJ
eurjchem-2551	176	32	hydrogen	hydrogen	NOUN
eurjchem-2551	176	33	bond	bond	NOUN
eurjchem-2551	176	34	interactions	interaction	NOUN
eurjchem-2551	176	35	.	.	PUNCT
eurjchem-2551	177	1	arslan	arslan	NOUN
eurjchem-2551	177	2	and	and	CCONJ
eurjchem-2551	177	3	aydin	aydin	PROPN
eurjchem-2551	177	4	/	/	SYM
eurjchem-2551	177	5	european	european	ADJ
eurjchem-2551	177	6	journal	journal	PROPN
eurjchem-2551	177	7	of	of	ADP
eurjchem-2551	177	8	chemistry	chemistry	NOUN
eurjchem-2551	177	9	15	15	NUM
eurjchem-2551	177	10	(	(	PUNCT
eurjchem-2551	177	11	2	2	NUM
eurjchem-2551	177	12	)	)	PUNCT
eurjchem-2551	177	13	(	(	PUNCT
eurjchem-2551	177	14	2024	2024	NUM
eurjchem-2551	177	15	)	)	PUNCT
eurjchem-2551	177	16	155	155	NUM
eurjchem-2551	177	17	-	-	SYM
eurjchem-2551	177	18	165	165	NUM
eurjchem-2551	177	19	163	163	NUM
eurjchem-2551	177	20	2024	2024	NUM
eurjchem-2551	177	21	–	–	PUNCT
eurjchem-2551	177	22	european	european	ADJ
eurjchem-2551	177	23	journal	journal	NOUN
eurjchem-2551	177	24	of	of	ADP
eurjchem-2551	177	25	chemistry	chemistry	NOUN
eurjchem-2551	177	26	–	–	PUNCT
eurjchem-2551	177	27	cc	cc	NOUN
eurjchem-2551	177	28	by	by	ADP
eurjchem-2551	177	29	nc	nc	PROPN
eurjchem-2551	177	30	–	–	PUNCT
eurjchem-2551	177	31	doi	doi	PROPN
eurjchem-2551	177	32	:	:	PUNCT
eurjchem-2551	177	33	10.5155	10.5155	NUM
eurjchem-2551	177	34	/	/	SYM
eurjchem-2551	177	35	eurjchem.15.2.155	eurjchem.15.2.155	NOUN
eurjchem-2551	177	36	-	-	SYM
eurjchem-2551	177	37	165.2551	165.2551	NUM
eurjchem-2551	177	38	table	table	NOUN
eurjchem-2551	177	39	6	6	NUM
eurjchem-2551	177	40	.	.	PUNCT
eurjchem-2551	177	41	frontier	frontier	NOUN
eurjchem-2551	177	42	orbital	orbital	ADJ
eurjchem-2551	177	43	energy	energy	NOUN
eurjchem-2551	177	44	,	,	PUNCT
eurjchem-2551	177	45	homo	homo	NOUN
eurjchem-2551	177	46	-	-	PUNCT
eurjchem-2551	177	47	lumo	lumo	NOUN
eurjchem-2551	177	48	energy	energy	NOUN
eurjchem-2551	177	49	gap	gap	NOUN
eurjchem-2551	177	50	,	,	PUNCT
eurjchem-2551	177	51	ionization	ionization	NOUN
eurjchem-2551	177	52	potential	potential	NOUN
eurjchem-2551	177	53	(	(	PUNCT
eurjchem-2551	177	54	i	i	NOUN
eurjchem-2551	177	55	)	)	PUNCT
eurjchem-2551	177	56	,	,	PUNCT
eurjchem-2551	177	57	electron	electron	NOUN
eurjchem-2551	177	58	affinity	affinity	NOUN
eurjchem-2551	177	59	(	(	PUNCT
eurjchem-2551	177	60	a	a	X
eurjchem-2551	177	61	)	)	PUNCT
eurjchem-2551	177	62	,	,	PUNCT
eurjchem-2551	177	63	chemical	chemical	NOUN
eurjchem-2551	177	64	potential	potential	NOUN
eurjchem-2551	177	65	(	(	PUNCT
eurjchem-2551	177	66	μ	μ	NOUN
eurjchem-2551	177	67	)	)	PUNCT
eurjchem-2551	177	68	,	,	PUNCT
eurjchem-2551	177	69	chemical	chemical	NOUN
eurjchem-2551	177	70	hardness	hardness	NOUN
eurjchem-2551	177	71	(	(	PUNCT
eurjchem-2551	177	72	η	η	NOUN
eurjchem-2551	177	73	)	)	PUNCT
eurjchem-2551	177	74	,	,	PUNCT
eurjchem-2551	177	75	absolute	absolute	ADJ
eurjchem-2551	177	76	softness	softness	NOUN
eurjchem-2551	177	77	(	(	PUNCT
eurjchem-2551	177	78	ζ	ζ	NOUN
eurjchem-2551	177	79	)	)	PUNCT
eurjchem-2551	177	80	,	,	PUNCT
eurjchem-2551	177	81	absolute	absolute	ADJ
eurjchem-2551	177	82	electronegativity	electronegativity	NOUN
eurjchem-2551	177	83	(	(	PUNCT
eurjchem-2551	177	84	χ	χ	NOUN
eurjchem-2551	177	85	)	)	PUNCT
eurjchem-2551	177	86	,	,	PUNCT
eurjchem-2551	177	87	chemical	chemical	NOUN
eurjchem-2551	177	88	potential	potential	NOUN
eurjchem-2551	177	89	(	(	PUNCT
eurjchem-2551	177	90	μ	μ	NOUN
eurjchem-2551	177	91	)	)	PUNCT
eurjchem-2551	177	92	,	,	PUNCT
eurjchem-2551	177	93	and	and	CCONJ
eurjchem-2551	177	94	electrophilicity	electrophilicity	NOUN
eurjchem-2551	177	95	index	index	NOUN
eurjchem-2551	177	96	(	(	PUNCT
eurjchem-2551	177	97	ω	ω	NOUN
eurjchem-2551	177	98	)	)	PUNCT
eurjchem-2551	177	99	of	of	ADP
eurjchem-2551	177	100	title	title	NOUN
eurjchem-2551	177	101	compounds	compound	NOUN
eurjchem-2551	177	102	for	for	ADP
eurjchem-2551	177	103	ground	ground	NOUN
eurjchem-2551	177	104	state	state	NOUN
eurjchem-2551	177	105	geometries	geometry	NOUN
eurjchem-2551	177	106	in	in	ADP
eurjchem-2551	177	107	gas	gas	NOUN
eurjchem-2551	177	108	phase	phase	NOUN
eurjchem-2551	177	109	at	at	ADP
eurjchem-2551	177	110	b3lyp/6	b3lyp/6	PROPN
eurjchem-2551	177	111	-	-	NOUN
eurjchem-2551	177	112	311g(d	311g(d	NUM
eurjchem-2551	177	113	,	,	PUNCT
eurjchem-2551	177	114	p	p	NOUN
eurjchem-2551	177	115	)	)	PUNCT
eurjchem-2551	177	116	level	level	NOUN
eurjchem-2551	177	117	.	.	PUNCT
eurjchem-2551	178	1	parameters	parameter	NOUN
eurjchem-2551	178	2	b3lyp/6	b3lyp/6	PROPN
eurjchem-2551	178	3	-	-	PROPN
eurjchem-2551	178	4	311g(d	311g(d	NUM
eurjchem-2551	178	5	,	,	PUNCT
eurjchem-2551	178	6	p	p	NOUN
eurjchem-2551	178	7	)	)	PUNCT
eurjchem-2551	178	8	compound	compound	NOUN
eurjchem-2551	179	1	i	i	PRON
eurjchem-2551	179	2	compound	compound	VERB
eurjchem-2551	179	3	ii	ii	PROPN
eurjchem-2551	179	4	electronic	electronic	ADJ
eurjchem-2551	179	5	energy	energy	NOUN
eurjchem-2551	179	6	(	(	PUNCT
eurjchem-2551	179	7	a.u	a.u	PROPN
eurjchem-2551	179	8	.	.	PUNCT
eurjchem-2551	179	9	)	)	PUNCT
eurjchem-2551	180	1	-17688.9911	-17688.9911	INTJ
eurjchem-2551	181	1	-9049.0604	-9049.0604	INTJ
eurjchem-2551	181	2	ehomo	ehomo	ADJ
eurjchem-2551	181	3	(	(	PUNCT
eurjchem-2551	181	4	ev	ev	INTJ
eurjchem-2551	181	5	)	)	PUNCT
eurjchem-2551	181	6	-6.1072	-6.1072	NOUN
eurjchem-2551	181	7	-6.6841	-6.6841	X
eurjchem-2551	182	1	elumo	elumo	PROPN
eurjchem-2551	182	2	(	(	PUNCT
eurjchem-2551	182	3	ev	ev	INTJ
eurjchem-2551	182	4	)	)	PUNCT
eurjchem-2551	182	5	-2.2939	-2.2939	PROPN
eurjchem-2551	182	6	-3.1891	-3.1891	PROPN
eurjchem-2551	182	7	ionization	ionization	NOUN
eurjchem-2551	182	8	energy	energy	NOUN
eurjchem-2551	182	9	,	,	PUNCT
eurjchem-2551	182	10	i	i	PRON
eurjchem-2551	182	11	=	=	PUNCT
eurjchem-2551	182	12	-ehomo	-ehomo	NOUN
eurjchem-2551	182	13	(	(	PUNCT
eurjchem-2551	182	14	ev	ev	ADJ
eurjchem-2551	182	15	)	)	PUNCT
eurjchem-2551	182	16	6.1072	6.1072	NUM
eurjchem-2551	182	17	6.6841	6.6841	NUM
eurjchem-2551	182	18	electron	electron	NOUN
eurjchem-2551	182	19	affinity	affinity	NOUN
eurjchem-2551	182	20	,	,	PUNCT
eurjchem-2551	182	21	a	a	DET
eurjchem-2551	182	22	=	=	PUNCT
eurjchem-2551	182	23	-elumo	-elumo	ADJ
eurjchem-2551	182	24	(	(	PUNCT
eurjchem-2551	182	25	ev	ev	ADJ
eurjchem-2551	182	26	)	)	PUNCT
eurjchem-2551	182	27	2.2939	2.2939	NUM
eurjchem-2551	182	28	3.1891	3.1891	NUM
eurjchem-2551	182	29	energy	energy	NOUN
eurjchem-2551	182	30	band	band	NOUN
eurjchem-2551	182	31	gap	gap	NOUN
eurjchem-2551	182	32	,	,	PUNCT
eurjchem-2551	182	33	δe	δe	ADP
eurjchem-2551	182	34	=	=	PUNCT
eurjchem-2551	182	35	ehomo	ehomo	ADJ
eurjchem-2551	182	36	-	-	PUNCT
eurjchem-2551	182	37	elumo	elumo	ADJ
eurjchem-2551	182	38	(	(	PUNCT
eurjchem-2551	182	39	ev	ev	NOUN
eurjchem-2551	182	40	)	)	PUNCT
eurjchem-2551	182	41	3.8133	3.8133	NUM
eurjchem-2551	182	42	3.4950	3.4950	NUM
eurjchem-2551	182	43	chemical	chemical	NOUN
eurjchem-2551	182	44	hardness	hardness	NOUN
eurjchem-2551	182	45	,	,	PUNCT
eurjchem-2551	182	46	η	η	X
eurjchem-2551	182	47	=	=	SYM
eurjchem-2551	182	48	(	(	PUNCT
eurjchem-2551	182	49	i	i	PROPN
eurjchem-2551	182	50	-	-	PUNCT
eurjchem-2551	182	51	a)/2	a)/2	PROPN
eurjchem-2551	182	52	(	(	PUNCT
eurjchem-2551	182	53	ev	ev	PROPN
eurjchem-2551	182	54	)	)	PUNCT
eurjchem-2551	182	55	1.9066	1.9066	NUM
eurjchem-2551	182	56	1.7475	1.7475	NUM
eurjchem-2551	182	57	chemical	chemical	NOUN
eurjchem-2551	182	58	softness	softness	NOUN
eurjchem-2551	182	59	,	,	PUNCT
eurjchem-2551	182	60	ζ	ζ	NOUN
eurjchem-2551	182	61	=	=	SYM
eurjchem-2551	182	62	1/2η	1/2η	NUM
eurjchem-2551	182	63	(	(	PUNCT
eurjchem-2551	182	64	ev-1	ev-1	X
eurjchem-2551	182	65	)	)	PUNCT
eurjchem-2551	182	66	0.2622	0.2622	NUM
eurjchem-2551	182	67	0.2861	0.2861	NUM
eurjchem-2551	182	68	electronegativity	electronegativity	NOUN
eurjchem-2551	182	69	,	,	PUNCT
eurjchem-2551	182	70	χ	χ	NOUN
eurjchem-2551	182	71	=	=	SYM
eurjchem-2551	182	72	(	(	PUNCT
eurjchem-2551	182	73	i+a)/2	i+a)/2	PROPN
eurjchem-2551	182	74	(	(	PUNCT
eurjchem-2551	182	75	ev	ev	NOUN
eurjchem-2551	182	76	)	)	PUNCT
eurjchem-2551	182	77	4.2005	4.2005	NUM
eurjchem-2551	182	78	4.9366	4.9366	NUM
eurjchem-2551	182	79	chemical	chemical	NOUN
eurjchem-2551	182	80	potential	potential	NOUN
eurjchem-2551	182	81	,	,	PUNCT
eurjchem-2551	182	82	μ	μ	NOUN
eurjchem-2551	182	83	=	=	SYM
eurjchem-2551	182	84	(	(	PUNCT
eurjchem-2551	182	85	i+a)/2	i+a)/2	PROPN
eurjchem-2551	182	86	(	(	PUNCT
eurjchem-2551	182	87	ev	ev	NOUN
eurjchem-2551	182	88	)	)	PUNCT
eurjchem-2551	182	89	-4.2005	-4.2005	NOUN
eurjchem-2551	182	90	-4.9366	-4.9366	PROPN
eurjchem-2551	182	91	electrophilicity	electrophilicity	PROPN
eurjchem-2551	182	92	index	index	NOUN
eurjchem-2551	182	93	,	,	PUNCT
eurjchem-2551	182	94	ω	ω	PROPN
eurjchem-2551	182	95	=	=	SYM
eurjchem-2551	182	96	μ²/2η	μ²/2η	PROPN
eurjchem-2551	182	97	(	(	PUNCT
eurjchem-2551	182	98	ev	ev	PROPN
eurjchem-2551	182	99	)	)	PUNCT
eurjchem-2551	182	100	4.6271	4.6271	NUM
eurjchem-2551	182	101	6.9728	6.9728	NUM
eurjchem-2551	182	102	compound	compound	NOUN
eurjchem-2551	183	1	i	i	PRON
eurjchem-2551	183	2	compound	compound	VERB
eurjchem-2551	183	3	ii	ii	PROPN
eurjchem-2551	183	4	figure	figure	NOUN
eurjchem-2551	183	5	10	10	NUM
eurjchem-2551	183	6	.	.	PUNCT
eurjchem-2551	184	1	thermodynamic	thermodynamic	ADJ
eurjchem-2551	184	2	parameters	parameter	NOUN
eurjchem-2551	184	3	of	of	ADP
eurjchem-2551	184	4	compounds	compound	NOUN
eurjchem-2551	184	5	i	i	PRON
eurjchem-2551	184	6	and	and	CCONJ
eurjchem-2551	184	7	ii	ii	PROPN
eurjchem-2551	184	8	.	.	PROPN
eurjchem-2551	185	1	3.5	3.5	NUM
eurjchem-2551	185	2	.	.	PUNCT
eurjchem-2551	186	1	frontier	frontier	NOUN
eurjchem-2551	186	2	molecular	molecular	ADJ
eurjchem-2551	186	3	orbitals	orbital	NOUN
eurjchem-2551	186	4	analysis	analysis	NOUN
eurjchem-2551	186	5	frontier	frontier	NOUN
eurjchem-2551	186	6	molecular	molecular	ADJ
eurjchem-2551	186	7	orbitals	orbital	NOUN
eurjchem-2551	186	8	(	(	PUNCT
eurjchem-2551	186	9	foms	fom	NOUN
eurjchem-2551	186	10	)	)	PUNCT
eurjchem-2551	186	11	,	,	PUNCT
eurjchem-2551	186	12	known	know	VERB
eurjchem-2551	186	13	as	as	ADP
eurjchem-2551	186	14	the	the	DET
eurjchem-2551	186	15	highest	high	ADJ
eurjchem-2551	186	16	occupied	occupy	VERB
eurjchem-2551	186	17	molecular	molecular	ADJ
eurjchem-2551	186	18	orbital	orbital	ADJ
eurjchem-2551	186	19	(	(	PUNCT
eurjchem-2551	186	20	homo	homo	NOUN
eurjchem-2551	186	21	)	)	PUNCT
eurjchem-2551	186	22	and	and	CCONJ
eurjchem-2551	186	23	the	the	DET
eurjchem-2551	186	24	lowest	low	ADJ
eurjchem-2551	186	25	unoccupied	unoccupied	ADJ
eurjchem-2551	186	26	molecular	molecular	ADJ
eurjchem-2551	186	27	orbital	orbital	ADJ
eurjchem-2551	186	28	(	(	PUNCT
eurjchem-2551	186	29	lumo	lumo	NOUN
eurjchem-2551	186	30	)	)	PUNCT
eurjchem-2551	186	31	,	,	PUNCT
eurjchem-2551	186	32	contain	contain	VERB
eurjchem-2551	186	33	information	information	NOUN
eurjchem-2551	186	34	on	on	ADP
eurjchem-2551	186	35	the	the	DET
eurjchem-2551	186	36	chemical	chemical	NOUN
eurjchem-2551	186	37	stability	stability	NOUN
eurjchem-2551	186	38	of	of	ADP
eurjchem-2551	186	39	the	the	DET
eurjchem-2551	186	40	molecule	molecule	NOUN
eurjchem-2551	186	41	[	[	X
eurjchem-2551	186	42	41	41	NUM
eurjchem-2551	186	43	]	]	PUNCT
eurjchem-2551	186	44	.	.	PUNCT
eurjchem-2551	187	1	active	active	ADJ
eurjchem-2551	187	2	regions	region	NOUN
eurjchem-2551	187	3	can	can	AUX
eurjchem-2551	187	4	be	be	AUX
eurjchem-2551	187	5	predicted	predict	VERB
eurjchem-2551	187	6	by	by	ADP
eurjchem-2551	187	7	the	the	DET
eurjchem-2551	187	8	distribution	distribution	NOUN
eurjchem-2551	187	9	of	of	ADP
eurjchem-2551	187	10	the	the	DET
eurjchem-2551	187	11	frontier	frontier	NOUN
eurjchem-2551	187	12	orbital	orbital	NOUN
eurjchem-2551	187	13	since	since	SCONJ
eurjchem-2551	187	14	the	the	DET
eurjchem-2551	187	15	homo	homo	NOUN
eurjchem-2551	187	16	implies	imply	VERB
eurjchem-2551	187	17	the	the	DET
eurjchem-2551	187	18	electron	electron	NOUN
eurjchem-2551	187	19	-	-	PUNCT
eurjchem-2551	187	20	donating	donate	VERB
eurjchem-2551	187	21	capacity	capacity	NOUN
eurjchem-2551	187	22	of	of	ADP
eurjchem-2551	187	23	a	a	DET
eurjchem-2551	187	24	molecule	molecule	NOUN
eurjchem-2551	187	25	and	and	CCONJ
eurjchem-2551	187	26	the	the	DET
eurjchem-2551	187	27	lumo	lumo	NOUN
eurjchem-2551	187	28	indicates	indicate	VERB
eurjchem-2551	187	29	the	the	DET
eurjchem-2551	187	30	electron	electron	NOUN
eurjchem-2551	187	31	-	-	PUNCT
eurjchem-2551	187	32	accepting	accept	VERB
eurjchem-2551	187	33	capacity	capacity	NOUN
eurjchem-2551	187	34	of	of	ADP
eurjchem-2551	187	35	a	a	DET
eurjchem-2551	187	36	molecule	molecule	NOUN
eurjchem-2551	188	1	[	[	X
eurjchem-2551	188	2	42	42	NUM
eurjchem-2551	188	3	]	]	PUNCT
eurjchem-2551	188	4	.	.	PUNCT
eurjchem-2551	189	1	the	the	DET
eurjchem-2551	189	2	homo	homo	NOUN
eurjchem-2551	189	3	-	-	PUNCT
eurjchem-2551	189	4	lumo	lumo	NOUN
eurjchem-2551	189	5	plots	plot	NOUN
eurjchem-2551	189	6	of	of	ADP
eurjchem-2551	189	7	the	the	DET
eurjchem-2551	189	8	two	two	NUM
eurjchem-2551	189	9	molecules	molecule	NOUN
eurjchem-2551	189	10	are	be	AUX
eurjchem-2551	189	11	shown	show	VERB
eurjchem-2551	189	12	in	in	ADP
eurjchem-2551	189	13	figure	figure	NOUN
eurjchem-2551	189	14	9	9	NUM
eurjchem-2551	189	15	.	.	PUNCT
eurjchem-2551	190	1	the	the	DET
eurjchem-2551	190	2	negative	negative	ADJ
eurjchem-2551	190	3	and	and	CCONJ
eurjchem-2551	190	4	positive	positive	ADJ
eurjchem-2551	190	5	phases	phase	NOUN
eurjchem-2551	190	6	are	be	AUX
eurjchem-2551	190	7	colored	color	VERB
eurjchem-2551	190	8	red	red	ADJ
eurjchem-2551	190	9	and	and	CCONJ
eurjchem-2551	190	10	green	green	ADJ
eurjchem-2551	190	11	.	.	PUNCT
eurjchem-2551	191	1	as	as	SCONJ
eurjchem-2551	191	2	shown	show	VERB
eurjchem-2551	191	3	in	in	ADP
eurjchem-2551	191	4	figure	figure	NOUN
eurjchem-2551	191	5	9	9	NUM
eurjchem-2551	191	6	,	,	PUNCT
eurjchem-2551	191	7	the	the	DET
eurjchem-2551	191	8	homo	homo	NOUN
eurjchem-2551	191	9	electrons	electron	NOUN
eurjchem-2551	191	10	are	be	AUX
eurjchem-2551	191	11	localized	localize	VERB
eurjchem-2551	191	12	around	around	ADP
eurjchem-2551	191	13	the	the	DET
eurjchem-2551	191	14	entire	entire	ADJ
eurjchem-2551	191	15	tribromophenyl	tribromophenyl	NOUN
eurjchem-2551	191	16	and	and	CCONJ
eurjchem-2551	191	17	connected	connected	ADJ
eurjchem-2551	191	18	thiourea	thiourea	NOUN
eurjchem-2551	191	19	moiety	moiety	NOUN
eurjchem-2551	191	20	,	,	PUNCT
eurjchem-2551	191	21	while	while	SCONJ
eurjchem-2551	191	22	for	for	ADP
eurjchem-2551	191	23	lumo	lumo	NOUN
eurjchem-2551	191	24	,	,	PUNCT
eurjchem-2551	191	25	the	the	DET
eurjchem-2551	191	26	electrons	electron	NOUN
eurjchem-2551	191	27	are	be	AUX
eurjchem-2551	191	28	distributed	distribute	VERB
eurjchem-2551	191	29	entirely	entirely	ADV
eurjchem-2551	191	30	over	over	ADP
eurjchem-2551	191	31	the	the	DET
eurjchem-2551	191	32	aroyl	aroyl	ADJ
eurjchem-2551	191	33	ring	ring	NOUN
eurjchem-2551	191	34	and	and	CCONJ
eurjchem-2551	191	35	the	the	DET
eurjchem-2551	191	36	thiourea	thiourea	NOUN
eurjchem-2551	191	37	moiety	moiety	NOUN
eurjchem-2551	191	38	for	for	ADP
eurjchem-2551	191	39	the	the	DET
eurjchem-2551	191	40	title	title	NOUN
eurjchem-2551	191	41	compounds	compound	VERB
eurjchem-2551	191	42	.	.	PUNCT
eurjchem-2551	192	1	the	the	DET
eurjchem-2551	192	2	electron	electron	NOUN
eurjchem-2551	192	3	-	-	PUNCT
eurjchem-2551	192	4	withdrawing	withdrawing	NOUN
eurjchem-2551	192	5	or	or	CCONJ
eurjchem-2551	192	6	donating	donate	VERB
eurjchem-2551	192	7	groups	group	NOUN
eurjchem-2551	192	8	influence	influence	VERB
eurjchem-2551	192	9	the	the	DET
eurjchem-2551	192	10	homo	homo	NOUN
eurjchem-2551	192	11	and	and	CCONJ
eurjchem-2551	192	12	lumo	lumo	NOUN
eurjchem-2551	192	13	energies	energy	NOUN
eurjchem-2551	192	14	.	.	PUNCT
eurjchem-2551	193	1	electron	electron	NOUN
eurjchem-2551	193	2	-	-	PUNCT
eurjchem-2551	193	3	withdrawing	withdraw	VERB
eurjchem-2551	193	4	groups	group	NOUN
eurjchem-2551	193	5	,	,	PUNCT
eurjchem-2551	193	6	such	such	ADJ
eurjchem-2551	193	7	as	as	ADP
eurjchem-2551	193	8	nitro	nitro	NOUN
eurjchem-2551	193	9	groups	group	NOUN
eurjchem-2551	193	10	,	,	PUNCT
eurjchem-2551	193	11	reduce	reduce	VERB
eurjchem-2551	193	12	the	the	DET
eurjchem-2551	193	13	energy	energy	NOUN
eurjchem-2551	193	14	of	of	ADP
eurjchem-2551	193	15	the	the	DET
eurjchem-2551	193	16	lumo	lumo	NOUN
eurjchem-2551	193	17	while	while	SCONJ
eurjchem-2551	193	18	affecting	affect	VERB
eurjchem-2551	193	19	the	the	DET
eurjchem-2551	193	20	homo	homo	NOUN
eurjchem-2551	193	21	slightly	slightly	ADV
eurjchem-2551	193	22	less	less	ADJ
eurjchem-2551	193	23	.	.	PUNCT
eurjchem-2551	194	1	it	it	PRON
eurjchem-2551	194	2	has	have	AUX
eurjchem-2551	194	3	been	be	AUX
eurjchem-2551	194	4	described	describe	VERB
eurjchem-2551	194	5	that	that	SCONJ
eurjchem-2551	194	6	a	a	DET
eurjchem-2551	194	7	molecule	molecule	NOUN
eurjchem-2551	194	8	with	with	ADP
eurjchem-2551	194	9	a	a	DET
eurjchem-2551	194	10	small	small	ADJ
eurjchem-2551	194	11	frontier	frontier	NOUN
eurjchem-2551	194	12	orbital	orbital	ADJ
eurjchem-2551	194	13	space	space	NOUN
eurjchem-2551	194	14	can	can	AUX
eurjchem-2551	194	15	be	be	AUX
eurjchem-2551	194	16	more	more	ADV
eurjchem-2551	194	17	polarizable	polarizable	ADJ
eurjchem-2551	194	18	and	and	CCONJ
eurjchem-2551	194	19	is	be	AUX
eurjchem-2551	194	20	generally	generally	ADV
eurjchem-2551	194	21	associated	associate	VERB
eurjchem-2551	194	22	with	with	ADP
eurjchem-2551	194	23	high	high	ADJ
eurjchem-2551	194	24	chemical	chemical	NOUN
eurjchem-2551	194	25	reactivity	reactivity	NOUN
eurjchem-2551	194	26	and	and	CCONJ
eurjchem-2551	194	27	low	low	ADJ
eurjchem-2551	194	28	kinetic	kinetic	ADJ
eurjchem-2551	194	29	stability	stability	NOUN
eurjchem-2551	194	30	,	,	PUNCT
eurjchem-2551	194	31	and	and	CCONJ
eurjchem-2551	194	32	is	be	AUX
eurjchem-2551	194	33	called	call	VERB
eurjchem-2551	194	34	a	a	DET
eurjchem-2551	194	35	soft	soft	ADJ
eurjchem-2551	194	36	molecule	molecule	NOUN
eurjchem-2551	194	37	[	[	X
eurjchem-2551	194	38	43	43	NUM
eurjchem-2551	194	39	]	]	PUNCT
eurjchem-2551	194	40	.	.	PUNCT
eurjchem-2551	195	1	global	global	ADJ
eurjchem-2551	195	2	reactivity	reactivity	NOUN
eurjchem-2551	195	3	,	,	PUNCT
eurjchem-2551	195	4	such	such	ADJ
eurjchem-2551	195	5	as	as	ADP
eurjchem-2551	195	6	frontier	frontier	NOUN
eurjchem-2551	195	7	orbital	orbital	ADJ
eurjchem-2551	195	8	energy	energy	NOUN
eurjchem-2551	195	9	,	,	PUNCT
eurjchem-2551	195	10	homo	homo	NOUN
eurjchem-2551	195	11	-	-	PUNCT
eurjchem-2551	195	12	lumo	lumo	NOUN
eurjchem-2551	195	13	energy	energy	NOUN
eurjchem-2551	195	14	gap	gap	NOUN
eurjchem-2551	195	15	,	,	PUNCT
eurjchem-2551	195	16	chemical	chemical	NOUN
eurjchem-2551	195	17	potential	potential	NOUN
eurjchem-2551	195	18	(	(	PUNCT
eurjchem-2551	195	19	µ	µ	NOUN
eurjchem-2551	195	20	)	)	PUNCT
eurjchem-2551	195	21	,	,	PUNCT
eurjchem-2551	195	22	chemical	chemical	NOUN
eurjchem-2551	195	23	hardness	hardness	NOUN
eurjchem-2551	195	24	(	(	PUNCT
eurjchem-2551	195	25	η	η	NOUN
eurjchem-2551	195	26	)	)	PUNCT
eurjchem-2551	195	27	,	,	PUNCT
eurjchem-2551	195	28	global	global	ADJ
eurjchem-2551	195	29	electrophilicity	electrophilicity	NOUN
eurjchem-2551	195	30	index	index	NOUN
eurjchem-2551	195	31	(	(	PUNCT
eurjchem-2551	195	32	ω	ω	NOUN
eurjchem-2551	195	33	)	)	PUNCT
eurjchem-2551	195	34	,	,	PUNCT
eurjchem-2551	195	35	and	and	CCONJ
eurjchem-2551	195	36	chemical	chemical	NOUN
eurjchem-2551	195	37	softness	softness	NOUN
eurjchem-2551	195	38	(	(	PUNCT
eurjchem-2551	195	39	ς	ς	NOUN
eurjchem-2551	195	40	)	)	PUNCT
eurjchem-2551	195	41	were	be	AUX
eurjchem-2551	195	42	calculated	calculate	VERB
eurjchem-2551	195	43	using	use	VERB
eurjchem-2551	195	44	the	the	DET
eurjchem-2551	195	45	b3lyp/6	b3lyp/6	NOUN
eurjchem-2551	195	46	-	-	NOUN
eurjchem-2551	195	47	311g(d	311g(d	NUM
eurjchem-2551	195	48	,	,	PUNCT
eurjchem-2551	195	49	p	p	NOUN
eurjchem-2551	195	50	)	)	PUNCT
eurjchem-2551	195	51	method	method	NOUN
eurjchem-2551	195	52	and	and	CCONJ
eurjchem-2551	195	53	is	be	AUX
eurjchem-2551	195	54	listed	list	VERB
eurjchem-2551	195	55	in	in	ADP
eurjchem-2551	195	56	table	table	NOUN
eurjchem-2551	195	57	6	6	NUM
eurjchem-2551	195	58	.	.	PUNCT
eurjchem-2551	196	1	the	the	DET
eurjchem-2551	196	2	energy	energy	NOUN
eurjchem-2551	196	3	values	value	NOUN
eurjchem-2551	196	4	of	of	ADP
eurjchem-2551	196	5	the	the	DET
eurjchem-2551	196	6	homo	homo	NOUN
eurjchem-2551	196	7	and	and	CCONJ
eurjchem-2551	196	8	lumo	lumo	NOUN
eurjchem-2551	196	9	of	of	ADP
eurjchem-2551	196	10	the	the	DET
eurjchem-2551	196	11	title	title	NOUN
eurjchem-2551	196	12	compounds	compound	NOUN
eurjchem-2551	196	13	(	(	PUNCT
eurjchem-2551	196	14	i	i	PROPN
eurjchem-2551	196	15	,	,	PUNCT
eurjchem-2551	196	16	ii	ii	PROPN
eurjchem-2551	196	17	)	)	PUNCT
eurjchem-2551	196	18	were	be	AUX
eurjchem-2551	196	19	calculated	calculate	VERB
eurjchem-2551	196	20	as	as	ADP
eurjchem-2551	196	21	-6.1072	-6.1072	NOUN
eurjchem-2551	196	22	ev	ev	X
eurjchem-2551	196	23	(	(	PUNCT
eurjchem-2551	196	24	homo	homo	NOUN
eurjchem-2551	196	25	)	)	PUNCT
eurjchem-2551	196	26	,	,	PUNCT
eurjchem-2551	196	27	6.2569	6.2569	NUM
eurjchem-2551	196	28	ev	ev	X
eurjchem-2551	196	29	(	(	PUNCT
eurjchem-2551	196	30	homo-1	homo-1	PROPN
eurjchem-2551	196	31	)	)	PUNCT
eurjchem-2551	196	32	,	,	PUNCT
eurjchem-2551	197	1	-2.2939	-2.2939	PROPN
eurjchem-2551	197	2	ev	ev	PROPN
eurjchem-2551	197	3	(	(	PUNCT
eurjchem-2551	197	4	lumo	lumo	NOUN
eurjchem-2551	197	5	)	)	PUNCT
eurjchem-2551	197	6	,	,	PUNCT
eurjchem-2551	197	7	-2.0563	-2.0563	NOUN
eurjchem-2551	197	8	ev	ev	X
eurjchem-2551	197	9	(	(	PUNCT
eurjchem-2551	197	10	lumo1	lumo1	PROPN
eurjchem-2551	197	11	)	)	PUNCT
eurjchem-2551	197	12	and	and	CCONJ
eurjchem-2551	197	13	-6.6841	-6.6841	NOUN
eurjchem-2551	197	14	ev	ev	X
eurjchem-2551	197	15	(	(	PUNCT
eurjchem-2551	197	16	homo	homo	NOUN
eurjchem-2551	197	17	)	)	PUNCT
eurjchem-2551	197	18	,	,	PUNCT
eurjchem-2551	197	19	-6.9641	-6.9641	PROPN
eurjchem-2551	197	20	ev	ev	X
eurjchem-2551	197	21	(	(	PUNCT
eurjchem-2551	197	22	homo-1	homo-1	PROPN
eurjchem-2551	197	23	)	)	PUNCT
eurjchem-2551	197	24	,	,	PUNCT
eurjchem-2551	197	25	-3.1891	-3.1891	X
eurjchem-2551	197	26	ev	ev	X
eurjchem-2551	197	27	(	(	PUNCT
eurjchem-2551	197	28	lumo	lumo	NOUN
eurjchem-2551	197	29	)	)	PUNCT
eurjchem-2551	197	30	,	,	PUNCT
eurjchem-2551	197	31	-1.9157	-1.9157	NOUN
eurjchem-2551	197	32	ev	ev	X
eurjchem-2551	197	33	(	(	PUNCT
eurjchem-2551	197	34	lumo+1	lumo+1	PROPN
eurjchem-2551	197	35	)	)	PUNCT
eurjchem-2551	197	36	,	,	PUNCT
eurjchem-2551	197	37	respectively	respectively	ADV
eurjchem-2551	197	38	(	(	PUNCT
eurjchem-2551	197	39	table	table	NOUN
eurjchem-2551	197	40	6	6	NUM
eurjchem-2551	197	41	)	)	PUNCT
eurjchem-2551	197	42	.	.	PUNCT
eurjchem-2551	198	1	according	accord	VERB
eurjchem-2551	198	2	to	to	ADP
eurjchem-2551	198	3	these	these	DET
eurjchem-2551	198	4	data	datum	NOUN
eurjchem-2551	198	5	,	,	PUNCT
eurjchem-2551	198	6	the	the	DET
eurjchem-2551	198	7	energy	energy	NOUN
eurjchem-2551	198	8	gap	gap	NOUN
eurjchem-2551	198	9	values	value	NOUN
eurjchem-2551	198	10	for	for	ADP
eurjchem-2551	198	11	compounds	compound	NOUN
eurjchem-2551	198	12	i	i	PRON
eurjchem-2551	198	13	and	and	CCONJ
eurjchem-2551	198	14	ii	ii	PROPN
eurjchem-2551	198	15	are	be	AUX
eurjchem-2551	198	16	calculated	calculate	VERB
eurjchem-2551	198	17	as	as	ADP
eurjchem-2551	198	18	3.8133	3.8133	NUM
eurjchem-2551	198	19	ev	ev	ADP
eurjchem-2551	198	20	and	and	CCONJ
eurjchem-2551	198	21	3.4950	3.4950	NUM
eurjchem-2551	198	22	ev	ev	NOUN
eurjchem-2551	198	23	.	.	PUNCT
eurjchem-2551	199	1	when	when	SCONJ
eurjchem-2551	199	2	comparing	compare	VERB
eurjchem-2551	199	3	the	the	DET
eurjchem-2551	199	4	energy	energy	NOUN
eurjchem-2551	199	5	gap	gap	NOUN
eurjchem-2551	199	6	values	value	NOUN
eurjchem-2551	199	7	of	of	ADP
eurjchem-2551	199	8	the	the	DET
eurjchem-2551	199	9	title	title	NOUN
eurjchem-2551	199	10	compounds	compound	NOUN
eurjchem-2551	199	11	,	,	PUNCT
eurjchem-2551	199	12	compound	compound	NOUN
eurjchem-2551	199	13	ii	ii	PROPN
eurjchem-2551	199	14	is	be	AUX
eurjchem-2551	199	15	more	more	ADV
eurjchem-2551	199	16	chemically	chemically	ADV
eurjchem-2551	199	17	reactive	reactive	ADJ
eurjchem-2551	199	18	and	and	CCONJ
eurjchem-2551	199	19	unstable	unstable	ADJ
eurjchem-2551	199	20	than	than	ADP
eurjchem-2551	199	21	compound	compound	VERB
eurjchem-2551	199	22	i	i	PRON
eurjchem-2551	199	23	because	because	SCONJ
eurjchem-2551	199	24	the	the	DET
eurjchem-2551	199	25	energy	energy	NOUN
eurjchem-2551	199	26	gap	gap	NOUN
eurjchem-2551	199	27	is	be	AUX
eurjchem-2551	199	28	narrower	narrow	ADJ
eurjchem-2551	199	29	due	due	ADP
eurjchem-2551	199	30	to	to	ADP
eurjchem-2551	199	31	the	the	DET
eurjchem-2551	199	32	effect	effect	NOUN
eurjchem-2551	199	33	of	of	ADP
eurjchem-2551	199	34	the	the	DET
eurjchem-2551	199	35	nitro	nitro	NOUN
eurjchem-2551	199	36	group	group	NOUN
eurjchem-2551	200	1	[	[	X
eurjchem-2551	200	2	44	44	NUM
eurjchem-2551	200	3	-	-	SYM
eurjchem-2551	200	4	45	45	NUM
eurjchem-2551	200	5	]	]	PUNCT
eurjchem-2551	200	6	.	.	PUNCT
eurjchem-2551	201	1	from	from	ADP
eurjchem-2551	201	2	table	table	NOUN
eurjchem-2551	201	3	6	6	NUM
eurjchem-2551	201	4	,	,	PUNCT
eurjchem-2551	201	5	when	when	SCONJ
eurjchem-2551	201	6	the	the	DET
eurjchem-2551	201	7	chemical	chemical	NOUN
eurjchem-2551	201	8	hardness	hardness	NOUN
eurjchem-2551	201	9	and	and	CCONJ
eurjchem-2551	201	10	softness	softness	ADJ
eurjchem-2551	201	11	values	value	NOUN
eurjchem-2551	201	12	of	of	ADP
eurjchem-2551	201	13	compounds	compound	NOUN
eurjchem-2551	201	14	i	i	PRON
eurjchem-2551	201	15	and	and	CCONJ
eurjchem-2551	201	16	ii	ii	PROPN
eurjchem-2551	201	17	(	(	PUNCT
eurjchem-2551	201	18	1.7475	1.7475	NUM
eurjchem-2551	201	19	ev	ev	PROPN
eurjchem-2551	201	20	,	,	PUNCT
eurjchem-2551	201	21	0.2861	0.2861	NUM
eurjchem-2551	201	22	ev	ev	X
eurjchem-2551	201	23	and	and	CCONJ
eurjchem-2551	201	24	1.9066	1.9066	NUM
eurjchem-2551	201	25	ev	ev	PROPN
eurjchem-2551	201	26	,	,	PUNCT
eurjchem-2551	201	27	0.2622	0.2622	NUM
eurjchem-2551	201	28	ev	ev	VERB
eurjchem-2551	201	29	,	,	PUNCT
eurjchem-2551	201	30	respectively	respectively	ADV
eurjchem-2551	201	31	)	)	PUNCT
eurjchem-2551	201	32	are	be	AUX
eurjchem-2551	201	33	compared	compare	VERB
eurjchem-2551	201	34	,	,	PUNCT
eurjchem-2551	201	35	it	it	PRON
eurjchem-2551	201	36	is	be	AUX
eurjchem-2551	201	37	emphasized	emphasize	VERB
eurjchem-2551	201	38	that	that	SCONJ
eurjchem-2551	201	39	compound	compound	NOUN
eurjchem-2551	201	40	ii	ii	PROPN
eurjchem-2551	201	41	is	be	AUX
eurjchem-2551	201	42	more	more	ADV
eurjchem-2551	201	43	reactive	reactive	ADJ
eurjchem-2551	201	44	than	than	ADP
eurjchem-2551	201	45	compound	compound	NOUN
eurjchem-2551	201	46	ii	ii	NOUN
eurjchem-2551	202	1	[	[	X
eurjchem-2551	202	2	46	46	NUM
eurjchem-2551	202	3	]	]	PUNCT
eurjchem-2551	202	4	.	.	PUNCT
eurjchem-2551	203	1	3.6	3.6	NUM
eurjchem-2551	203	2	.	.	PUNCT
eurjchem-2551	204	1	thermodynamic	thermodynamic	ADJ
eurjchem-2551	204	2	properties	property	NOUN
eurjchem-2551	204	3	thermodynamic	thermodynamic	ADJ
eurjchem-2551	204	4	quantum	quantum	NOUN
eurjchem-2551	204	5	chemical	chemical	NOUN
eurjchem-2551	204	6	data	datum	NOUN
eurjchem-2551	204	7	becomes	become	VERB
eurjchem-2551	204	8	important	important	ADJ
eurjchem-2551	204	9	to	to	PART
eurjchem-2551	204	10	study	study	VERB
eurjchem-2551	204	11	the	the	DET
eurjchem-2551	204	12	reaction	reaction	NOUN
eurjchem-2551	204	13	processes	process	NOUN
eurjchem-2551	204	14	of	of	ADP
eurjchem-2551	204	15	organic	organic	ADJ
eurjchem-2551	204	16	compounds	compound	NOUN
eurjchem-2551	204	17	[	[	X
eurjchem-2551	204	18	47	47	NUM
eurjchem-2551	204	19	]	]	PUNCT
eurjchem-2551	204	20	.	.	PUNCT
eurjchem-2551	205	1	thermodynamic	thermodynamic	ADJ
eurjchem-2551	205	2	parameters	parameter	NOUN
eurjchem-2551	205	3	for	for	ADP
eurjchem-2551	205	4	different	different	ADJ
eurjchem-2551	205	5	temperatures	temperature	NOUN
eurjchem-2551	205	6	were	be	AUX
eurjchem-2551	205	7	calculated	calculate	VERB
eurjchem-2551	205	8	at	at	ADP
eurjchem-2551	205	9	the	the	DET
eurjchem-2551	205	10	b3lyp/6	b3lyp/6	NOUN
eurjchem-2551	205	11	-	-	PROPN
eurjchem-2551	205	12	311	311	NUM
eurjchem-2551	205	13	g	g	NOUN
eurjchem-2551	205	14	(	(	PUNCT
eurjchem-2551	205	15	d	d	PROPN
eurjchem-2551	205	16	,	,	PUNCT
eurjchem-2551	205	17	p	p	NOUN
eurjchem-2551	205	18	)	)	PUNCT
eurjchem-2551	205	19	level	level	NOUN
eurjchem-2551	205	20	and	and	CCONJ
eurjchem-2551	205	21	scaled	scale	VERB
eurjchem-2551	205	22	by	by	ADP
eurjchem-2551	205	23	0.96	0.96	NUM
eurjchem-2551	205	24	.	.	PUNCT
eurjchem-2551	206	1	three	three	NUM
eurjchem-2551	206	2	main	main	ADJ
eurjchem-2551	206	3	thermodynamic	thermodynamic	ADJ
eurjchem-2551	206	4	properties	property	NOUN
eurjchem-2551	206	5	as	as	ADP
eurjchem-2551	206	6	heat	heat	NOUN
eurjchem-2551	206	7	capacity	capacity	NOUN
eurjchem-2551	206	8	𝐶𝐶𝑝𝑝.𝑚𝑚	𝐶𝐶𝑝𝑝.𝑚𝑚	NOUN
eurjchem-2551	206	9	°	°	NOUN
eurjchem-2551	206	10	,	,	PUNCT
eurjchem-2551	206	11	enthalpy	enthalpy	NOUN
eurjchem-2551	206	12	𝛥𝛥𝛥𝛥𝑚𝑚0	𝛥𝛥𝛥𝛥𝑚𝑚0	NOUN
eurjchem-2551	206	13	and	and	CCONJ
eurjchem-2551	206	14	entropy	entropy	VERB
eurjchem-2551	206	15	𝑆𝑆𝑚𝑚	𝑆𝑆𝑚𝑚	PROPN
eurjchem-2551	206	16	°	°	PROPN
eurjchem-2551	206	17	for	for	ADP
eurjchem-2551	206	18	compounds	compound	NOUN
eurjchem-2551	206	19	i	i	PRON
eurjchem-2551	206	20	and	and	CCONJ
eurjchem-2551	206	21	ii	ii	PROPN
eurjchem-2551	206	22	are	be	AUX
eurjchem-2551	206	23	plotted	plot	VERB
eurjchem-2551	206	24	in	in	ADP
eurjchem-2551	206	25	figures	figure	NOUN
eurjchem-2551	206	26	10a	10a	NOUN
eurjchem-2551	206	27	and	and	CCONJ
eurjchem-2551	206	28	10b	10b	NOUN
eurjchem-2551	206	29	.	.	PUNCT
eurjchem-2551	207	1	as	as	SCONJ
eurjchem-2551	207	2	shown	show	VERB
eurjchem-2551	207	3	in	in	ADP
eurjchem-2551	207	4	figure	figure	NOUN
eurjchem-2551	207	5	10	10	NUM
eurjchem-2551	207	6	,	,	PUNCT
eurjchem-2551	207	7	all	all	DET
eurjchem-2551	207	8	values	value	NOUN
eurjchem-2551	207	9	increase	increase	VERB
eurjchem-2551	207	10	as	as	SCONJ
eurjchem-2551	207	11	the	the	DET
eurjchem-2551	207	12	temperature	temperature	NOUN
eurjchem-2551	207	13	increases	increase	VERB
eurjchem-2551	207	14	in	in	ADP
eurjchem-2551	207	15	the	the	DET
eurjchem-2551	207	16	range	range	NOUN
eurjchem-2551	207	17	of	of	ADP
eurjchem-2551	207	18	100	100	NUM
eurjchem-2551	207	19	-	-	SYM
eurjchem-2551	207	20	1000	1000	NUM
eurjchem-2551	207	21	k.	k.	NOUN
eurjchem-2551	207	22	the	the	DET
eurjchem-2551	207	23	correlation	correlation	NOUN
eurjchem-2551	207	24	equation	equation	NOUN
eurjchem-2551	207	25	of	of	ADP
eurjchem-2551	207	26	𝐶𝐶𝑝𝑝.𝑚𝑚	𝐶𝐶𝑝𝑝.𝑚𝑚	NOUN
eurjchem-2551	207	27	°	°	NOUN
eurjchem-2551	207	28	,	,	PUNCT
eurjchem-2551	207	29	𝑆𝑆𝑚𝑚	𝑆𝑆𝑚𝑚	PROPN
eurjchem-2551	207	30	°	°	NOUN
eurjchem-2551	207	31	,	,	PUNCT
eurjchem-2551	207	32	𝛥𝛥𝛥𝛥𝑚𝑚0	𝛥𝛥𝛥𝛥𝑚𝑚0	NOUN
eurjchem-2551	207	33	and	and	CCONJ
eurjchem-2551	207	34	temperature	temperature	NOUN
eurjchem-2551	207	35	are	be	AUX
eurjchem-2551	207	36	as	as	SCONJ
eurjchem-2551	207	37	follows	follow	VERB
eurjchem-2551	207	38	for	for	ADP
eurjchem-2551	207	39	title	title	NOUN
eurjchem-2551	207	40	compounds	compound	NOUN
eurjchem-2551	207	41	i	i	PRON
eurjchem-2551	207	42	and	and	CCONJ
eurjchem-2551	207	43	ii	ii	PROPN
eurjchem-2551	207	44	,	,	PUNCT
eurjchem-2551	207	45	respectively	respectively	ADV
eurjchem-2551	207	46	:	:	PUNCT
eurjchem-2551	207	47	𝐶𝐶𝑝𝑝,𝑚𝑚	𝐶𝐶𝑝𝑝,𝑚𝑚	PROPN
eurjchem-2551	207	48	°	°	PROPN
eurjchem-2551	207	49	(	(	PUNCT
eurjchem-2551	207	50	i	i	NOUN
eurjchem-2551	207	51	)	)	PUNCT
eurjchem-2551	207	52	=	=	PUNCT
eurjchem-2551	208	1	26.5639	26.5639	NUM
eurjchem-2551	209	1	+	+	NUM
eurjchem-2551	209	2	0.4899	0.4899	NUM
eurjchem-2551	209	3	t	t	NOUN
eurjchem-2551	209	4	-2.3069×10	-2.3069×10	NUM
eurjchem-2551	209	5	-	-	PUNCT
eurjchem-2551	209	6	4	4	NUM
eurjchem-2551	209	7	t2	t2	NOUN
eurjchem-2551	209	8	(	(	PUNCT
eurjchem-2551	209	9	r2	r2	PROPN
eurjchem-2551	209	10	=	=	SYM
eurjchem-2551	209	11	0.9992	0.9992	NUM
eurjchem-2551	209	12	)	)	PUNCT
eurjchem-2551	209	13	(	(	PUNCT
eurjchem-2551	209	14	1	1	X
eurjchem-2551	209	15	)	)	PUNCT
eurjchem-2551	209	16	𝑆𝑆𝑚𝑚	𝑆𝑆𝑚𝑚	PROPN
eurjchem-2551	209	17	°	°	NOUN
eurjchem-2551	209	18	(	(	PUNCT
eurjchem-2551	209	19	i	i	NOUN
eurjchem-2551	209	20	)	)	PUNCT
eurjchem-2551	209	21	=	=	PUNCT
eurjchem-2551	210	1	112.2255	112.2255	NUM
eurjchem-2551	210	2	+	+	NUM
eurjchem-2551	210	3	0.6415	0.6415	NUM
eurjchem-2551	210	4	t	t	NOUN
eurjchem-2551	210	5	–	–	PUNCT
eurjchem-2551	210	6	1.93958×10	1.93958×10	NUM
eurjchem-2551	210	7	-	-	SYM
eurjchem-2551	210	8	4	4	NUM
eurjchem-2551	210	9	t2	t2	NOUN
eurjchem-2551	210	10	(	(	PUNCT
eurjchem-2551	210	11	r2	r2	PROPN
eurjchem-2551	210	12	=	=	PUNCT
eurjchem-2551	210	13	0.9996	0.9996	NUM
eurjchem-2551	210	14	)	)	PUNCT
eurjchem-2551	210	15	(	(	PUNCT
eurjchem-2551	210	16	2	2	X
eurjchem-2551	210	17	)	)	PUNCT
eurjchem-2551	210	18	𝛥𝛥𝛥𝛥𝑚𝑚0	𝛥𝛥𝛥𝛥𝑚𝑚0	NOUN
eurjchem-2551	210	19	(	(	PUNCT
eurjchem-2551	210	20	i	i	NOUN
eurjchem-2551	210	21	)	)	PUNCT
eurjchem-2551	210	22	=	=	VERB
eurjchem-2551	211	1	-7.5617	-7.5617	NOUN
eurjchem-2551	212	1	+	+	CCONJ
eurjchem-2551	212	2	0.0884	0.0884	NUM
eurjchem-2551	212	3	t	t	NOUN
eurjchem-2551	212	4	+	+	CCONJ
eurjchem-2551	212	5	7.4451×10	7.4451×10	NOUN
eurjchem-2551	212	6	-	-	SYM
eurjchem-2551	212	7	6	6	NUM
eurjchem-2551	212	8	t2	t2	NOUN
eurjchem-2551	212	9	(	(	PUNCT
eurjchem-2551	212	10	r2	r2	PROPN
eurjchem-2551	212	11	=	=	SYM
eurjchem-2551	212	12	0.9993	0.9993	NUM
eurjchem-2551	212	13	)	)	PUNCT
eurjchem-2551	212	14	(	(	PUNCT
eurjchem-2551	212	15	3	3	X
eurjchem-2551	212	16	)	)	PUNCT
eurjchem-2551	212	17	𝐶𝐶𝑝𝑝.𝑚𝑚	𝐶𝐶𝑝𝑝.𝑚𝑚	NOUN
eurjchem-2551	212	18	°	°	PROPN
eurjchem-2551	212	19	(	(	PUNCT
eurjchem-2551	212	20	ii	ii	NOUN
eurjchem-2551	212	21	)	)	PUNCT
eurjchem-2551	212	22	=	=	PUNCT
eurjchem-2551	212	23	13.7884	13.7884	NUM
eurjchem-2551	213	1	+	+	CCONJ
eurjchem-2551	213	2	0.2660	0.2660	NUM
eurjchem-2551	213	3	t	t	PROPN
eurjchem-2551	213	4	-1.279×10	-1.279×10	VERB
eurjchem-2551	213	5	-	-	PUNCT
eurjchem-2551	213	6	4	4	NUM
eurjchem-2551	213	7	t2	t2	NOUN
eurjchem-2551	213	8	(	(	PUNCT
eurjchem-2551	213	9	r2	r2	PROPN
eurjchem-2551	213	10	=	=	SYM
eurjchem-2551	213	11	0.9991	0.9991	NUM
eurjchem-2551	213	12	)	)	PUNCT
eurjchem-2551	213	13	(	(	PUNCT
eurjchem-2551	213	14	4	4	X
eurjchem-2551	213	15	)	)	PUNCT
eurjchem-2551	213	16	𝑆𝑆𝑚𝑚	𝑆𝑆𝑚𝑚	PROPN
eurjchem-2551	213	17	°	°	NOUN
eurjchem-2551	213	18	(	(	PUNCT
eurjchem-2551	213	19	ii	ii	NOUN
eurjchem-2551	213	20	)	)	PUNCT
eurjchem-2551	213	21	=	=	NOUN
eurjchem-2551	214	1	79.7534	79.7534	NUM
eurjchem-2551	214	2	+	+	SYM
eurjchem-2551	214	3	0.3501	0.3501	NUM
eurjchem-2551	214	4	t	t	NOUN
eurjchem-2551	214	5	–	–	PUNCT
eurjchem-2551	214	6	1.0782×10	1.0782×10	NUM
eurjchem-2551	214	7	-	-	SYM
eurjchem-2551	214	8	4	4	NUM
eurjchem-2551	214	9	t2	t2	NOUN
eurjchem-2551	214	10	(	(	PUNCT
eurjchem-2551	214	11	r2	r2	PROPN
eurjchem-2551	214	12	=	=	PUNCT
eurjchem-2551	214	13	0.9996	0.9996	NUM
eurjchem-2551	214	14	)	)	PUNCT
eurjchem-2551	214	15	(	(	PUNCT
eurjchem-2551	214	16	5	5	X
eurjchem-2551	214	17	)	)	PUNCT
eurjchem-2551	214	18	𝛥𝛥𝛥𝛥𝑚𝑚0	𝛥𝛥𝛥𝛥𝑚𝑚0	PROPN
eurjchem-2551	214	19	(	(	PUNCT
eurjchem-2551	214	20	ii	ii	NOUN
eurjchem-2551	214	21	)	)	PUNCT
eurjchem-2551	214	22	=	=	SYM
eurjchem-2551	214	23	-4.2287	-4.2287	NOUN
eurjchem-2551	215	1	+	+	CCONJ
eurjchem-2551	215	2	0.0491	0.0491	NUM
eurjchem-2551	215	3	t	t	NOUN
eurjchem-2551	215	4	+	+	CCONJ
eurjchem-2551	215	5	6.1967×10	6.1967×10	PROPN
eurjchem-2551	215	6	-	-	SYM
eurjchem-2551	215	7	5	5	NUM
eurjchem-2551	215	8	t2	t2	NOUN
eurjchem-2551	215	9	(	(	PUNCT
eurjchem-2551	215	10	r2	r2	PROPN
eurjchem-2551	215	11	=	=	SYM
eurjchem-2551	215	12	0.9993	0.9993	NUM
eurjchem-2551	215	13	)	)	PUNCT
eurjchem-2551	215	14	(	(	PUNCT
eurjchem-2551	215	15	6	6	NUM
eurjchem-2551	215	16	)	)	PUNCT
eurjchem-2551	215	17	additionally	additionally	ADV
eurjchem-2551	215	18	,	,	PUNCT
eurjchem-2551	215	19	for	for	ADP
eurjchem-2551	215	20	both	both	DET
eurjchem-2551	215	21	title	title	NOUN
eurjchem-2551	215	22	compounds	compound	NOUN
eurjchem-2551	215	23	,	,	PUNCT
eurjchem-2551	215	24	all	all	PRON
eurjchem-2551	215	25	calculated	calculate	VERB
eurjchem-2551	215	26	thermodynamic	thermodynamic	ADJ
eurjchem-2551	215	27	parameters	parameter	NOUN
eurjchem-2551	215	28	(	(	PUNCT
eurjchem-2551	215	29	𝐶𝐶𝑝𝑝.𝑚𝑚	𝐶𝐶𝑝𝑝.𝑚𝑚	NOUN
eurjchem-2551	215	30	°	°	NOUN
eurjchem-2551	215	31	,	,	PUNCT
eurjchem-2551	215	32	𝑆𝑆𝑚𝑚	𝑆𝑆𝑚𝑚	PROPN
eurjchem-2551	215	33	°	°	NOUN
eurjchem-2551	215	34	,	,	PUNCT
eurjchem-2551	215	35	𝛥𝛥𝛥𝛥𝑚𝑚0	𝛥𝛥𝛥𝛥𝑚𝑚0	PROPN
eurjchem-2551	215	36	)	)	PUNCT
eurjchem-2551	215	37	appear	appear	VERB
eurjchem-2551	215	38	to	to	PART
eurjchem-2551	215	39	increase	increase	VERB
eurjchem-2551	215	40	0	0	NUM
eurjchem-2551	215	41	100	100	NUM
eurjchem-2551	215	42	200	200	NUM
eurjchem-2551	215	43	300	300	NUM
eurjchem-2551	215	44	400	400	NUM
eurjchem-2551	215	45	500	500	NUM
eurjchem-2551	215	46	600	600	NUM
eurjchem-2551	215	47	0	0	NUM
eurjchem-2551	215	48	100	100	NUM
eurjchem-2551	215	49	200	200	NUM
eurjchem-2551	215	50	300	300	NUM
eurjchem-2551	215	51	400	400	NUM
eurjchem-2551	215	52	500	500	NUM
eurjchem-2551	215	53	600	600	NUM
eurjchem-2551	215	54	700	700	NUM
eurjchem-2551	215	55	800	800	NUM
eurjchem-2551	215	56	900	900	NUM
eurjchem-2551	215	57	1000	1000	NUM
eurjchem-2551	215	58	1100	1100	NUM
eurjchem-2551	215	59	∆h	∆h	PROPN
eurjchem-2551	215	60	m	m	NOUN
eurjchem-2551	215	61	⁰	⁰	NUM
eurjchem-2551	215	62	,	,	PUNCT
eurjchem-2551	215	63	c	c	PROPN
eurjchem-2551	215	64	⁰p	⁰p	PROPN
eurjchem-2551	215	65	,	,	PUNCT
eurjchem-2551	215	66	m	m	VERB
eurjchem-2551	215	67	,	,	PUNCT
eurjchem-2551	215	68	s	s	VERB
eurjchem-2551	215	69	m	m	NOUN
eurjchem-2551	215	70	⁰	⁰	NUM
eurjchem-2551	215	71	temperature	temperature	NOUN
eurjchem-2551	215	72	(	(	PUNCT
eurjchem-2551	215	73	k	k	NOUN
eurjchem-2551	215	74	)	)	PUNCT
eurjchem-2551	216	1	cp	cp	PROPN
eurjchem-2551	216	2	s	s	AUX
eurjchem-2551	216	3	h	h	NOUN
eurjchem-2551	216	4	0	0	NUM
eurjchem-2551	216	5	50	50	NUM
eurjchem-2551	216	6	100	100	NUM
eurjchem-2551	216	7	150	150	NUM
eurjchem-2551	216	8	200	200	NUM
eurjchem-2551	216	9	250	250	NUM
eurjchem-2551	216	10	300	300	NUM
eurjchem-2551	216	11	350	350	NUM
eurjchem-2551	216	12	400	400	NUM
eurjchem-2551	216	13	0	0	NUM
eurjchem-2551	216	14	100	100	NUM
eurjchem-2551	216	15	200	200	NUM
eurjchem-2551	216	16	300	300	NUM
eurjchem-2551	216	17	400	400	NUM
eurjchem-2551	216	18	500	500	NUM
eurjchem-2551	216	19	600	600	NUM
eurjchem-2551	216	20	700	700	NUM
eurjchem-2551	216	21	800	800	NUM
eurjchem-2551	216	22	900	900	NUM
eurjchem-2551	216	23	1000	1000	NUM
eurjchem-2551	216	24	1100	1100	NUM
eurjchem-2551	216	25	∆h	∆h	PROPN
eurjchem-2551	216	26	m	m	NOUN
eurjchem-2551	216	27	⁰	⁰	NUM
eurjchem-2551	216	28	,	,	PUNCT
eurjchem-2551	216	29	c	c	PROPN
eurjchem-2551	216	30	⁰p	⁰p	PROPN
eurjchem-2551	216	31	,	,	PUNCT
eurjchem-2551	216	32	m	m	VERB
eurjchem-2551	216	33	,	,	PUNCT
eurjchem-2551	216	34	s	s	VERB
eurjchem-2551	216	35	m	m	NOUN
eurjchem-2551	216	36	⁰	⁰	NUM
eurjchem-2551	216	37	temperature	temperature	NOUN
eurjchem-2551	216	38	(	(	PUNCT
eurjchem-2551	216	39	k	k	NOUN
eurjchem-2551	216	40	)	)	PUNCT
eurjchem-2551	216	41	cp	cp	PROPN
eurjchem-2551	216	42	s	s	NOUN
eurjchem-2551	216	43	h	h	NOUN
eurjchem-2551	216	44	164	164	NUM
eurjchem-2551	216	45	arslan	arslan	NOUN
eurjchem-2551	216	46	and	and	CCONJ
eurjchem-2551	216	47	aydin	aydin	PROPN
eurjchem-2551	216	48	/	/	SYM
eurjchem-2551	216	49	european	european	ADJ
eurjchem-2551	216	50	journal	journal	PROPN
eurjchem-2551	216	51	of	of	ADP
eurjchem-2551	216	52	chemistry	chemistry	NOUN
eurjchem-2551	216	53	15	15	NUM
eurjchem-2551	216	54	(	(	PUNCT
eurjchem-2551	216	55	2	2	NUM
eurjchem-2551	216	56	)	)	PUNCT
eurjchem-2551	216	57	(	(	PUNCT
eurjchem-2551	216	58	2024	2024	NUM
eurjchem-2551	216	59	)	)	PUNCT
eurjchem-2551	216	60	155	155	NUM
eurjchem-2551	216	61	-	-	SYM
eurjchem-2551	216	62	165	165	NUM
eurjchem-2551	216	63	2024	2024	NUM
eurjchem-2551	216	64	–	–	PUNCT
eurjchem-2551	216	65	european	european	ADJ
eurjchem-2551	216	66	journal	journal	NOUN
eurjchem-2551	216	67	of	of	ADP
eurjchem-2551	216	68	chemistry	chemistry	NOUN
eurjchem-2551	216	69	–	–	PUNCT
eurjchem-2551	216	70	cc	cc	NOUN
eurjchem-2551	216	71	by	by	ADP
eurjchem-2551	216	72	nc	nc	PROPN
eurjchem-2551	216	73	–	–	PUNCT
eurjchem-2551	216	74	doi	doi	PROPN
eurjchem-2551	216	75	:	:	PUNCT
eurjchem-2551	216	76	10.5155	10.5155	NUM
eurjchem-2551	216	77	/	/	SYM
eurjchem-2551	216	78	eurjchem.15.2.155	eurjchem.15.2.155	NOUN
eurjchem-2551	216	79	-	-	SYM
eurjchem-2551	216	80	165.2551	165.2551	NUM
eurjchem-2551	216	81	with	with	ADP
eurjchem-2551	216	82	increasing	increase	VERB
eurjchem-2551	216	83	temperature	temperature	NOUN
eurjchem-2551	216	84	due	due	ADP
eurjchem-2551	216	85	to	to	ADP
eurjchem-2551	216	86	the	the	DET
eurjchem-2551	216	87	increase	increase	NOUN
eurjchem-2551	216	88	in	in	ADP
eurjchem-2551	216	89	molecular	molecular	ADJ
eurjchem-2551	216	90	vibration	vibration	NOUN
eurjchem-2551	216	91	.	.	PUNCT
eurjchem-2551	217	1	4	4	X
eurjchem-2551	217	2	.	.	X
eurjchem-2551	217	3	conclusions	conclusion	NOUN
eurjchem-2551	217	4	in	in	ADP
eurjchem-2551	217	5	this	this	DET
eurjchem-2551	217	6	study	study	NOUN
eurjchem-2551	217	7	,	,	PUNCT
eurjchem-2551	217	8	two	two	NUM
eurjchem-2551	217	9	novel	novel	ADJ
eurjchem-2551	217	10	n	n	CCONJ
eurjchem-2551	217	11	-	-	PUNCT
eurjchem-2551	217	12	benzoyl	benzoyl	ADJ
eurjchem-2551	217	13	-	-	PUNCT
eurjchem-2551	217	14	n'-tribromophenyl	n'-tribromophenyl	NOUN
eurjchem-2551	217	15	thiourea	thiourea	NOUN
eurjchem-2551	217	16	(	(	PUNCT
eurjchem-2551	217	17	i	i	NOUN
eurjchem-2551	217	18	)	)	PUNCT
eurjchem-2551	217	19	and	and	CCONJ
eurjchem-2551	217	20	4	4	NUM
eurjchem-2551	217	21	-	-	PUNCT
eurjchem-2551	217	22	nitrobenzoyl	nitrobenzoyl	NOUN
eurjchem-2551	217	23	-	-	PUNCT
eurjchem-2551	217	24	n'-tribromophenylthiourea	n'-tribromophenylthiourea	PROPN
eurjchem-2551	217	25	(	(	PUNCT
eurjchem-2551	217	26	ii	ii	NOUN
eurjchem-2551	217	27	)	)	PUNCT
eurjchem-2551	217	28	have	have	AUX
eurjchem-2551	217	29	been	be	AUX
eurjchem-2551	217	30	synthesized	synthesize	VERB
eurjchem-2551	217	31	and	and	CCONJ
eurjchem-2551	217	32	investigated	investigate	VERB
eurjchem-2551	217	33	by	by	ADP
eurjchem-2551	217	34	elemental	elemental	ADJ
eurjchem-2551	217	35	analysis	analysis	NOUN
eurjchem-2551	217	36	,	,	PUNCT
eurjchem-2551	217	37	ft	ft	PROPN
eurjchem-2551	217	38	-	-	PUNCT
eurjchem-2551	217	39	ir	ir	PROPN
eurjchem-2551	217	40	,	,	PUNCT
eurjchem-2551	217	41	1h	1h	NUM
eurjchem-2551	217	42	nmr	nmr	NOUN
eurjchem-2551	217	43	,	,	PUNCT
eurjchem-2551	217	44	13c	13c	NOUN
eurjchem-2551	217	45	nmr	nmr	NOUN
eurjchem-2551	217	46	,	,	PUNCT
eurjchem-2551	217	47	and	and	CCONJ
eurjchem-2551	217	48	x	x	X
eurjchem-2551	217	49	-	-	NOUN
eurjchem-2551	217	50	ray	ray	NOUN
eurjchem-2551	217	51	diffraction	diffraction	NOUN
eurjchem-2551	217	52	techniques	technique	NOUN
eurjchem-2551	217	53	.	.	PUNCT
eurjchem-2551	218	1	the	the	DET
eurjchem-2551	218	2	crystal	crystal	NOUN
eurjchem-2551	218	3	structures	structure	NOUN
eurjchem-2551	218	4	of	of	ADP
eurjchem-2551	218	5	compounds	compound	NOUN
eurjchem-2551	218	6	i	i	PRON
eurjchem-2551	218	7	and	and	CCONJ
eurjchem-2551	218	8	ii	ii	PROPN
eurjchem-2551	218	9	showed	show	VERB
eurjchem-2551	218	10	intramolecular	intramolecular	ADJ
eurjchem-2551	218	11	and	and	CCONJ
eurjchem-2551	218	12	intermolecular	intermolecular	ADJ
eurjchem-2551	218	13	interactions	interaction	NOUN
eurjchem-2551	218	14	with	with	ADP
eurjchem-2551	218	15	centers	center	NOUN
eurjchem-2551	218	16	that	that	PRON
eurjchem-2551	218	17	are	be	AUX
eurjchem-2551	218	18	hydrogen	hydrogen	NOUN
eurjchem-2551	218	19	-	-	PUNCT
eurjchem-2551	218	20	bond	bond	NOUN
eurjchem-2551	218	21	donors	donor	NOUN
eurjchem-2551	218	22	and	and	CCONJ
eurjchem-2551	218	23	hydrogen	hydrogen	NOUN
eurjchem-2551	218	24	-	-	PUNCT
eurjchem-2551	218	25	bond	bond	NOUN
eurjchem-2551	218	26	acceptors	acceptor	NOUN
eurjchem-2551	218	27	.	.	PUNCT
eurjchem-2551	219	1	the	the	DET
eurjchem-2551	219	2	presence	presence	NOUN
eurjchem-2551	219	3	of	of	ADP
eurjchem-2551	219	4	electron	electron	NOUN
eurjchem-2551	219	5	donors	donor	NOUN
eurjchem-2551	219	6	such	such	ADJ
eurjchem-2551	219	7	as	as	ADP
eurjchem-2551	219	8	s	s	PROPN
eurjchem-2551	219	9	,	,	PUNCT
eurjchem-2551	219	10	n	n	CCONJ
eurjchem-2551	219	11	,	,	PUNCT
eurjchem-2551	219	12	and	and	CCONJ
eurjchem-2551	219	13	o	o	X
eurjchem-2551	219	14	in	in	ADP
eurjchem-2551	219	15	these	these	DET
eurjchem-2551	219	16	compounds	compound	NOUN
eurjchem-2551	219	17	emphasizes	emphasize	VERB
eurjchem-2551	219	18	their	their	PRON
eurjchem-2551	219	19	polydentate	polydentate	ADJ
eurjchem-2551	219	20	ligand	ligand	NOUN
eurjchem-2551	219	21	properties	property	NOUN
eurjchem-2551	219	22	.	.	PUNCT
eurjchem-2551	220	1	this	this	DET
eurjchem-2551	220	2	property	property	NOUN
eurjchem-2551	220	3	would	would	AUX
eurjchem-2551	220	4	cause	cause	VERB
eurjchem-2551	220	5	compounds	compound	NOUN
eurjchem-2551	220	6	i	i	PRON
eurjchem-2551	220	7	and	and	CCONJ
eurjchem-2551	220	8	ii	ii	VERB
eurjchem-2551	220	9	to	to	PART
eurjchem-2551	220	10	exhibit	exhibit	VERB
eurjchem-2551	220	11	polydentate	polydentate	ADJ
eurjchem-2551	220	12	ligand	ligand	NOUN
eurjchem-2551	220	13	properties	property	NOUN
eurjchem-2551	220	14	with	with	ADP
eurjchem-2551	220	15	respect	respect	NOUN
eurjchem-2551	220	16	to	to	ADP
eurjchem-2551	220	17	various	various	ADJ
eurjchem-2551	220	18	metals	metal	NOUN
eurjchem-2551	220	19	in	in	ADP
eurjchem-2551	220	20	terms	term	NOUN
eurjchem-2551	220	21	of	of	ADP
eurjchem-2551	220	22	coordination	coordination	NOUN
eurjchem-2551	220	23	chemistry	chemistry	NOUN
eurjchem-2551	220	24	.	.	PUNCT
eurjchem-2551	221	1	theoretical	theoretical	ADJ
eurjchem-2551	221	2	calculations	calculation	NOUN
eurjchem-2551	221	3	of	of	ADP
eurjchem-2551	221	4	these	these	DET
eurjchem-2551	221	5	compounds	compound	NOUN
eurjchem-2551	221	6	have	have	AUX
eurjchem-2551	221	7	also	also	ADV
eurjchem-2551	221	8	been	be	AUX
eurjchem-2551	221	9	performed	perform	VERB
eurjchem-2551	221	10	using	use	VERB
eurjchem-2551	221	11	the	the	DET
eurjchem-2551	221	12	density	density	NOUN
eurjchem-2551	221	13	functional	functional	ADJ
eurjchem-2551	221	14	theory	theory	NOUN
eurjchem-2551	221	15	method	method	NOUN
eurjchem-2551	221	16	with	with	ADP
eurjchem-2551	221	17	the	the	DET
eurjchem-2551	221	18	b3lyp/6	b3lyp/6	NOUN
eurjchem-2551	221	19	-	-	NOUN
eurjchem-2551	221	20	311g(d	311g(d	NUM
eurjchem-2551	221	21	,	,	PUNCT
eurjchem-2551	221	22	p	p	NOUN
eurjchem-2551	221	23	)	)	PUNCT
eurjchem-2551	221	24	basis	basis	NOUN
eurjchem-2551	221	25	set	set	NOUN
eurjchem-2551	221	26	.	.	PUNCT
eurjchem-2551	222	1	although	although	SCONJ
eurjchem-2551	222	2	the	the	DET
eurjchem-2551	222	3	differences	difference	NOUN
eurjchem-2551	222	4	in	in	ADP
eurjchem-2551	222	5	the	the	DET
eurjchem-2551	222	6	geometric	geometric	ADJ
eurjchem-2551	222	7	parameters	parameter	NOUN
eurjchem-2551	222	8	are	be	AUX
eurjchem-2551	222	9	observed	observe	VERB
eurjchem-2551	222	10	,	,	PUNCT
eurjchem-2551	222	11	the	the	DET
eurjchem-2551	222	12	general	general	ADJ
eurjchem-2551	222	13	agreement	agreement	NOUN
eurjchem-2551	222	14	is	be	AUX
eurjchem-2551	222	15	in	in	ADP
eurjchem-2551	222	16	a	a	DET
eurjchem-2551	222	17	good	good	ADJ
eurjchem-2551	222	18	range	range	NOUN
eurjchem-2551	222	19	and	and	CCONJ
eurjchem-2551	222	20	the	the	DET
eurjchem-2551	222	21	theoretical	theoretical	ADJ
eurjchem-2551	222	22	calculations	calculation	NOUN
eurjchem-2551	222	23	support	support	VERB
eurjchem-2551	222	24	the	the	DET
eurjchem-2551	222	25	solid	solid	ADJ
eurjchem-2551	222	26	-	-	PUNCT
eurjchem-2551	222	27	state	state	NOUN
eurjchem-2551	222	28	structures	structure	NOUN
eurjchem-2551	222	29	.	.	PUNCT
eurjchem-2551	223	1	the	the	DET
eurjchem-2551	223	2	experimental	experimental	ADJ
eurjchem-2551	223	3	vibrational	vibrational	NOUN
eurjchem-2551	223	4	frequencies	frequency	NOUN
eurjchem-2551	223	5	agree	agree	VERB
eurjchem-2551	223	6	with	with	ADP
eurjchem-2551	223	7	the	the	DET
eurjchem-2551	223	8	results	result	NOUN
eurjchem-2551	223	9	of	of	ADP
eurjchem-2551	223	10	the	the	DET
eurjchem-2551	223	11	b3lyp	b3lyp	PROPN
eurjchem-2551	223	12	method	method	NOUN
eurjchem-2551	223	13	.	.	PUNCT
eurjchem-2551	224	1	the	the	DET
eurjchem-2551	224	2	calculated	calculate	VERB
eurjchem-2551	224	3	mep	mep	PROPN
eurjchem-2551	224	4	maps	map	NOUN
eurjchem-2551	224	5	verify	verify	VERB
eurjchem-2551	224	6	the	the	DET
eurjchem-2551	224	7	intramolecular	intramolecular	ADJ
eurjchem-2551	224	8	hydrogen	hydrogen	NOUN
eurjchem-2551	224	9	-	-	PUNCT
eurjchem-2551	224	10	bond	bond	NOUN
eurjchem-2551	224	11	interactions	interaction	NOUN
eurjchem-2551	224	12	in	in	ADP
eurjchem-2551	224	13	the	the	DET
eurjchem-2551	224	14	solid	solid	ADJ
eurjchem-2551	224	15	state	state	NOUN
eurjchem-2551	224	16	.	.	PUNCT
eurjchem-2551	225	1	homo	homo	NOUN
eurjchem-2551	225	2	and	and	CCONJ
eurjchem-2551	225	3	lumo	lumo	NOUN
eurjchem-2551	225	4	’s	’	VERB
eurjchem-2551	225	5	come	come	VERB
eurjchem-2551	225	6	into	into	ADP
eurjchem-2551	225	7	existence	existence	NOUN
eurjchem-2551	225	8	with	with	ADP
eurjchem-2551	225	9	π	π	ADJ
eurjchem-2551	225	10	-	-	ADJ
eurjchem-2551	225	11	antibonding	antibonding	ADJ
eurjchem-2551	225	12	type	type	NOUN
eurjchem-2551	225	13	orbitals	orbital	NOUN
eurjchem-2551	225	14	.	.	PUNCT
eurjchem-2551	226	1	it	it	PRON
eurjchem-2551	226	2	is	be	AUX
eurjchem-2551	226	3	clear	clear	ADJ
eurjchem-2551	226	4	from	from	ADP
eurjchem-2551	226	5	the	the	DET
eurjchem-2551	226	6	global	global	ADJ
eurjchem-2551	226	7	reactivity	reactivity	NOUN
eurjchem-2551	226	8	data	datum	NOUN
eurjchem-2551	226	9	that	that	PRON
eurjchem-2551	226	10	compound	compound	VERB
eurjchem-2551	226	11	i	i	PRON
eurjchem-2551	226	12	(	(	PUNCT
eurjchem-2551	226	13	x	x	SYM
eurjchem-2551	226	14	=	=	SYM
eurjchem-2551	226	15	h	h	NOUN
eurjchem-2551	226	16	)	)	PUNCT
eurjchem-2551	226	17	is	be	AUX
eurjchem-2551	226	18	hard	hard	ADJ
eurjchem-2551	226	19	and	and	CCONJ
eurjchem-2551	226	20	more	more	ADV
eurjchem-2551	226	21	stable	stable	ADJ
eurjchem-2551	226	22	or	or	CCONJ
eurjchem-2551	226	23	less	less	ADV
eurjchem-2551	226	24	reactive	reactive	ADJ
eurjchem-2551	226	25	,	,	PUNCT
eurjchem-2551	226	26	while	while	SCONJ
eurjchem-2551	226	27	compound	compound	NOUN
eurjchem-2551	226	28	ii	ii	PROPN
eurjchem-2551	226	29	(	(	PUNCT
eurjchem-2551	226	30	x	x	SYM
eurjchem-2551	226	31	=	=	SYM
eurjchem-2551	226	32	no2	no2	PROPN
eurjchem-2551	226	33	)	)	PUNCT
eurjchem-2551	226	34	is	be	AUX
eurjchem-2551	226	35	soft	soft	ADJ
eurjchem-2551	226	36	and	and	CCONJ
eurjchem-2551	226	37	less	less	ADV
eurjchem-2551	226	38	stable	stable	ADJ
eurjchem-2551	226	39	.	.	PUNCT
eurjchem-2551	227	1	acknowledgements	acknowledgement	NOUN
eurjchem-2551	227	2	the	the	DET
eurjchem-2551	227	3	authors	author	NOUN
eurjchem-2551	227	4	are	be	AUX
eurjchem-2551	227	5	grateful	grateful	ADJ
eurjchem-2551	227	6	to	to	PART
eurjchem-2551	227	7	prof	prof	VERB
eurjchem-2551	227	8	.	.	PUNCT
eurjchem-2551	228	1	kadir	kadir	PROPN
eurjchem-2551	228	2	aslan	aslan	PROPN
eurjchem-2551	228	3	at	at	ADP
eurjchem-2551	228	4	morgan	morgan	PROPN
eurjchem-2551	228	5	state	state	PROPN
eurjchem-2551	228	6	university	university	PROPN
eurjchem-2551	228	7	,	,	PUNCT
eurjchem-2551	228	8	baltimore	baltimore	PROPN
eurjchem-2551	228	9	,	,	PUNCT
eurjchem-2551	228	10	usa	usa	PROPN
eurjchem-2551	228	11	,	,	PUNCT
eurjchem-2551	228	12	for	for	ADP
eurjchem-2551	228	13	his	his	PRON
eurjchem-2551	228	14	financial	financial	ADJ
eurjchem-2551	228	15	support	support	NOUN
eurjchem-2551	228	16	.	.	PUNCT
eurjchem-2551	229	1	supporting	support	VERB
eurjchem-2551	229	2	information	information	NOUN
eurjchem-2551	229	3	ccdc-2160417	ccdc-2160417	ADJ
eurjchem-2551	229	4	(	(	PUNCT
eurjchem-2551	229	5	compound	compound	NOUN
eurjchem-2551	229	6	i	i	NOUN
eurjchem-2551	229	7	)	)	PUNCT
eurjchem-2551	229	8	and	and	CCONJ
eurjchem-2551	229	9	2160418	2160418	NUM
eurjchem-2551	229	10	(	(	PUNCT
eurjchem-2551	229	11	compound	compound	NOUN
eurjchem-2551	229	12	ii	ii	NOUN
eurjchem-2551	229	13	)	)	PUNCT
eurjchem-2551	229	14	contain	contain	VERB
eurjchem-2551	229	15	the	the	DET
eurjchem-2551	229	16	supplementary	supplementary	ADJ
eurjchem-2551	229	17	crystallographic	crystallographic	ADJ
eurjchem-2551	229	18	data	datum	NOUN
eurjchem-2551	229	19	for	for	ADP
eurjchem-2551	229	20	this	this	DET
eurjchem-2551	229	21	paper	paper	NOUN
eurjchem-2551	229	22	.	.	PUNCT
eurjchem-2551	230	1	these	these	DET
eurjchem-2551	230	2	data	datum	NOUN
eurjchem-2551	230	3	can	can	AUX
eurjchem-2551	230	4	be	be	AUX
eurjchem-2551	230	5	obtained	obtain	VERB
eurjchem-2551	230	6	free	free	ADJ
eurjchem-2551	230	7	of	of	ADP
eurjchem-2551	230	8	charge	charge	NOUN
eurjchem-2551	230	9	via	via	ADP
eurjchem-2551	230	10	www.ccdc.cam.ac.uk/data_request/cif	www.ccdc.cam.ac.uk/data_request/cif	NOUN
eurjchem-2551	230	11	,	,	PUNCT
eurjchem-2551	230	12	or	or	CCONJ
eurjchem-2551	230	13	by	by	ADP
eurjchem-2551	230	14	emailing	email	VERB
eurjchem-2551	230	15	data_request@ccdc.cam.ac.uk	data_request@ccdc.cam.ac.uk	PROPN
eurjchem-2551	230	16	,	,	PUNCT
eurjchem-2551	230	17	or	or	CCONJ
eurjchem-2551	230	18	by	by	ADP
eurjchem-2551	230	19	contacting	contact	VERB
eurjchem-2551	230	20	the	the	DET
eurjchem-2551	230	21	cambridge	cambridge	PROPN
eurjchem-2551	230	22	crystallographic	crystallographic	PROPN
eurjchem-2551	230	23	data	data	PROPN
eurjchem-2551	230	24	centre	centre	NOUN
eurjchem-2551	230	25	,	,	PUNCT
eurjchem-2551	230	26	12	12	NUM
eurjchem-2551	230	27	union	union	NOUN
eurjchem-2551	230	28	road	road	NOUN
eurjchem-2551	230	29	,	,	PUNCT
eurjchem-2551	230	30	cambridge	cambridge	PROPN
eurjchem-2551	230	31	cb2	cb2	PROPN
eurjchem-2551	230	32	1ez	1ez	PROPN
eurjchem-2551	230	33	,	,	PUNCT
eurjchem-2551	230	34	uk	uk	PROPN
eurjchem-2551	230	35	;	;	PUNCT
eurjchem-2551	230	36	fax	fax	NOUN
eurjchem-2551	230	37	:	:	PUNCT
eurjchem-2551	230	38	+44(0)1223	+44(0)1223	PROPN
eurjchem-2551	230	39	-	-	PUNCT
eurjchem-2551	230	40	336033	336033	NUM
eurjchem-2551	230	41	.	.	PUNCT
eurjchem-2551	231	1	disclosure	disclosure	NOUN
eurjchem-2551	231	2	statement	statement	NOUN
eurjchem-2551	231	3	conflict	conflict	NOUN
eurjchem-2551	231	4	of	of	ADP
eurjchem-2551	231	5	interest	interest	NOUN
eurjchem-2551	231	6	:	:	PUNCT
eurjchem-2551	231	7	the	the	DET
eurjchem-2551	231	8	authors	author	NOUN
eurjchem-2551	231	9	declare	declare	VERB
eurjchem-2551	231	10	that	that	SCONJ
eurjchem-2551	231	11	they	they	PRON
eurjchem-2551	231	12	have	have	VERB
eurjchem-2551	231	13	no	no	DET
eurjchem-2551	231	14	conflict	conflict	NOUN
eurjchem-2551	231	15	of	of	ADP
eurjchem-2551	231	16	interest	interest	NOUN
eurjchem-2551	231	17	.	.	PUNCT
eurjchem-2551	232	1	ethical	ethical	ADJ
eurjchem-2551	232	2	approval	approval	NOUN
eurjchem-2551	232	3	:	:	PUNCT
eurjchem-2551	233	1	all	all	DET
eurjchem-2551	233	2	ethical	ethical	ADJ
eurjchem-2551	233	3	guidelines	guideline	NOUN
eurjchem-2551	233	4	have	have	AUX
eurjchem-2551	233	5	been	be	AUX
eurjchem-2551	233	6	adhered	adhere	VERB
eurjchem-2551	233	7	to	to	ADP
eurjchem-2551	233	8	.	.	PUNCT
eurjchem-2551	234	1	sample	sample	NOUN
eurjchem-2551	234	2	availability	availability	NOUN
eurjchem-2551	234	3	:	:	PUNCT
eurjchem-2551	234	4	samples	sample	NOUN
eurjchem-2551	234	5	of	of	ADP
eurjchem-2551	234	6	the	the	DET
eurjchem-2551	234	7	compounds	compound	NOUN
eurjchem-2551	234	8	are	be	AUX
eurjchem-2551	234	9	available	available	ADJ
eurjchem-2551	234	10	from	from	ADP
eurjchem-2551	234	11	the	the	DET
eurjchem-2551	234	12	author	author	NOUN
eurjchem-2551	234	13	.	.	PUNCT
eurjchem-2551	235	1	credit	credit	NOUN
eurjchem-2551	235	2	authorship	authorship	NOUN
eurjchem-2551	235	3	contribution	contribution	NOUN
eurjchem-2551	235	4	statement	statement	NOUN
eurjchem-2551	235	5	conceptualization	conceptualization	NOUN
eurjchem-2551	235	6	:	:	PUNCT
eurjchem-2551	235	7	fatma	fatma	PROPN
eurjchem-2551	235	8	aydin	aydin	NOUN
eurjchem-2551	235	9	;	;	PUNCT
eurjchem-2551	235	10	methodology	methodology	NOUN
eurjchem-2551	235	11	:	:	PUNCT
eurjchem-2551	235	12	fatma	fatma	PROPN
eurjchem-2551	235	13	aydin	aydin	PROPN
eurjchem-2551	235	14	;	;	PUNCT
eurjchem-2551	235	15	software	software	NOUN
eurjchem-2551	235	16	:	:	PUNCT
eurjchem-2551	235	17	nahide	nahide	PROPN
eurjchem-2551	235	18	burcu	burcu	PROPN
eurjchem-2551	235	19	arslan	arslan	PROPN
eurjchem-2551	235	20	;	;	PUNCT
eurjchem-2551	235	21	formal	formal	ADJ
eurjchem-2551	235	22	analysis	analysis	NOUN
eurjchem-2551	235	23	:	:	PUNCT
eurjchem-2551	235	24	nahide	nahide	PROPN
eurjchem-2551	235	25	burcu	burcu	PROPN
eurjchem-2551	235	26	arslan	arslan	PROPN
eurjchem-2551	235	27	;	;	PUNCT
eurjchem-2551	235	28	investigation	investigation	NOUN
eurjchem-2551	235	29	:	:	PUNCT
eurjchem-2551	235	30	fatma	fatma	PROPN
eurjchem-2551	235	31	aydin	aydin	PROPN
eurjchem-2551	235	32	;	;	PUNCT
eurjchem-2551	235	33	data	datum	NOUN
eurjchem-2551	235	34	curation	curation	NOUN
eurjchem-2551	235	35	:	:	PUNCT
eurjchem-2551	235	36	fatma	fatma	PROPN
eurjchem-2551	235	37	aydin	aydin	PROPN
eurjchem-2551	235	38	,	,	PUNCT
eurjchem-2551	235	39	nahide	nahide	PROPN
eurjchem-2551	235	40	burcu	burcu	PROPN
eurjchem-2551	235	41	arslan	arslan	PROPN
eurjchem-2551	235	42	;	;	PUNCT
eurjchem-2551	235	43	writing	write	VERB
eurjchem-2551	235	44	original	original	ADJ
eurjchem-2551	235	45	draft	draft	NOUN
eurjchem-2551	235	46	:	:	PUNCT
eurjchem-2551	235	47	fatma	fatma	PROPN
eurjchem-2551	235	48	aydin	aydin	PROPN
eurjchem-2551	235	49	;	;	PUNCT
eurjchem-2551	235	50	writing	write	VERB
eurjchem-2551	235	51	review	review	NOUN
eurjchem-2551	235	52	and	and	CCONJ
eurjchem-2551	235	53	editing	editing	NOUN
eurjchem-2551	235	54	:	:	PUNCT
eurjchem-2551	235	55	fatma	fatma	PROPN
eurjchem-2551	235	56	aydin	aydin	NOUN
eurjchem-2551	235	57	,	,	PUNCT
eurjchem-2551	235	58	nahide	nahide	PROPN
eurjchem-2551	235	59	burcu	burcu	PROPN
eurjchem-2551	235	60	arslan	arslan	PROPN
eurjchem-2551	235	61	;	;	PUNCT
eurjchem-2551	235	62	visualization	visualization	NOUN
eurjchem-2551	235	63	:	:	PUNCT
eurjchem-2551	235	64	fatma	fatma	PROPN
eurjchem-2551	235	65	aydin	aydin	PROPN
eurjchem-2551	235	66	,	,	PUNCT
eurjchem-2551	235	67	nahide	nahide	PROPN
eurjchem-2551	235	68	burcu	burcu	PROPN
eurjchem-2551	235	69	arslan	arslan	PROPN
eurjchem-2551	235	70	;	;	PUNCT
eurjchem-2551	235	71	supervision	supervision	NOUN
eurjchem-2551	235	72	:	:	PUNCT
eurjchem-2551	235	73	fatma	fatma	PROPN
eurjchem-2551	235	74	aydin	aydin	PROPN
eurjchem-2551	235	75	;	;	PUNCT
eurjchem-2551	235	76	project	project	NOUN
eurjchem-2551	235	77	administration	administration	NOUN
eurjchem-2551	235	78	:	:	PUNCT
eurjchem-2551	235	79	fatma	fatma	PROPN
eurjchem-2551	235	80	aydin	aydin	PROPN
eurjchem-2551	235	81	.	.	PUNCT
eurjchem-2551	236	1	orcid	orcid	NOUN
eurjchem-2551	236	2	and	and	CCONJ
eurjchem-2551	236	3	email	email	NOUN
eurjchem-2551	236	4	nahide	nahide	PROPN
eurjchem-2551	236	5	burcu	burcu	PROPN
eurjchem-2551	236	6	arslan	arslan	PROPN
eurjchem-2551	236	7	burcu.arslan@giresun.edu.tr	burcu.arslan@giresun.edu.tr	PROPN
eurjchem-2551	236	8	https://orcid.org/0000-0002-1880-1047	https://orcid.org/0000-0002-1880-1047	PROPN
eurjchem-2551	236	9	fatma	fatma	PROPN
eurjchem-2551	236	10	aydin	aydin	PROPN
eurjchem-2551	236	11	faydin@comu.edu.tr	faydin@comu.edu.tr	PROPN
eurjchem-2551	236	12	https://orcid.org/0000-0002-7219-6407	https://orcid.org/0000-0002-7219-6407	PROPN
eurjchem-2551	236	13	references	reference	NOUN
eurjchem-2551	236	14	[	[	X
eurjchem-2551	236	15	1	1	NUM
eurjchem-2551	236	16	]	]	PUNCT
eurjchem-2551	236	17	.	.	PUNCT
eurjchem-2551	237	1	özgeriş	özgeriş	PROPN
eurjchem-2551	237	2	,	,	PUNCT
eurjchem-2551	237	3	b.	b.	PROPN
eurjchem-2551	237	4	design	design	PROPN
eurjchem-2551	237	5	,	,	PUNCT
eurjchem-2551	237	6	synthesis	synthesis	NOUN
eurjchem-2551	237	7	,	,	PUNCT
eurjchem-2551	237	8	characterization	characterization	NOUN
eurjchem-2551	237	9	,	,	PUNCT
eurjchem-2551	237	10	and	and	CCONJ
eurjchem-2551	237	11	biological	biological	ADJ
eurjchem-2551	237	12	evaluation	evaluation	NOUN
eurjchem-2551	237	13	of	of	ADP
eurjchem-2551	237	14	nicotinoyl	nicotinoyl	PROPN
eurjchem-2551	237	15	thioureas	thiourea	NOUN
eurjchem-2551	237	16	as	as	ADP
eurjchem-2551	237	17	antimicrobial	antimicrobial	ADJ
eurjchem-2551	237	18	and	and	CCONJ
eurjchem-2551	237	19	antioxidant	antioxidant	ADJ
eurjchem-2551	237	20	agents	agent	NOUN
eurjchem-2551	237	21	.	.	PUNCT
eurjchem-2551	238	1	j.	j.	PROPN
eurjchem-2551	238	2	antibiot	antibiot	PROPN
eurjchem-2551	238	3	.	.	PUNCT
eurjchem-2551	239	1	(	(	PUNCT
eurjchem-2551	239	2	tokyo	tokyo	PROPN
eurjchem-2551	239	3	)	)	PUNCT
eurjchem-2551	239	4	2021	2021	NUM
eurjchem-2551	239	5	,	,	PUNCT
eurjchem-2551	239	6	74	74	NUM
eurjchem-2551	239	7	,	,	PUNCT
eurjchem-2551	239	8	233–243	233–243	NUM
eurjchem-2551	239	9	.	.	PUNCT
eurjchem-2551	240	1	[	[	X
eurjchem-2551	240	2	2	2	NUM
eurjchem-2551	240	3	]	]	PUNCT
eurjchem-2551	240	4	.	.	PUNCT
eurjchem-2551	241	1	rana	rana	PROPN
eurjchem-2551	241	2	,	,	PUNCT
eurjchem-2551	241	3	a.	a.	NOUN
eurjchem-2551	241	4	;	;	PUNCT
eurjchem-2551	241	5	siddiqui	siddiqui	NOUN
eurjchem-2551	241	6	,	,	PUNCT
eurjchem-2551	241	7	n.	n.	PROPN
eurjchem-2551	241	8	;	;	PUNCT
eurjchem-2551	241	9	khan	khan	PROPN
eurjchem-2551	241	10	,	,	PUNCT
eurjchem-2551	241	11	s.	s.	PROPN
eurjchem-2551	241	12	a.	a.	PROPN
eurjchem-2551	241	13	;	;	PUNCT
eurjchem-2551	241	14	ehtaishamul	ehtaishamul	PROPN
eurjchem-2551	241	15	haque	haque	PROPN
eurjchem-2551	241	16	,	,	PUNCT
eurjchem-2551	241	17	s.	s.	PROPN
eurjchem-2551	241	18	;	;	PUNCT
eurjchem-2551	241	19	bhat	bhat	PROPN
eurjchem-2551	241	20	,	,	PUNCT
eurjchem-2551	241	21	m.	m.	NOUN
eurjchem-2551	241	22	a.	a.	NOUN
eurjchem-2551	241	23	n[(6	n[(6	PROPN
eurjchem-2551	241	24	-	-	PUNCT
eurjchem-2551	241	25	substituted-1,3	substituted-1,3	NOUN
eurjchem-2551	241	26	-	-	PUNCT
eurjchem-2551	241	27	benzothiazole-2	benzothiazole-2	ADV
eurjchem-2551	241	28	-	-	PUNCT
eurjchem-2551	241	29	yl)amino]carbonothioyl-2/4substituted	yl)amino]carbonothioyl-2/4substitute	VERB
eurjchem-2551	241	30	benzamides	benzamide	NOUN
eurjchem-2551	241	31	:	:	PUNCT
eurjchem-2551	241	32	synthesis	synthesis	NOUN
eurjchem-2551	241	33	and	and	CCONJ
eurjchem-2551	241	34	pharmacological	pharmacological	ADJ
eurjchem-2551	241	35	evaluation	evaluation	NOUN
eurjchem-2551	241	36	.	.	PUNCT
eurjchem-2551	242	1	eur	eur	PROPN
eurjchem-2551	242	2	.	.	PUNCT
eurjchem-2551	243	1	j.	j.	PROPN
eurjchem-2551	243	2	med	med	PROPN
eurjchem-2551	243	3	.	.	PROPN
eurjchem-2551	243	4	chem	chem	PROPN
eurjchem-2551	243	5	.	.	PUNCT
eurjchem-2551	244	1	2008	2008	NUM
eurjchem-2551	244	2	,	,	PUNCT
eurjchem-2551	244	3	43	43	NUM
eurjchem-2551	244	4	,	,	PUNCT
eurjchem-2551	244	5	1114–1122	1114–1122	NUM
eurjchem-2551	244	6	.	.	PUNCT
eurjchem-2551	245	1	[	[	X
eurjchem-2551	245	2	3	3	NUM
eurjchem-2551	245	3	]	]	PUNCT
eurjchem-2551	245	4	.	.	PUNCT
eurjchem-2551	246	1	asghar	asghar	PROPN
eurjchem-2551	246	2	,	,	PUNCT
eurjchem-2551	246	3	f.	f.	PROPN
eurjchem-2551	246	4	;	;	PUNCT
eurjchem-2551	246	5	rana	rana	PROPN
eurjchem-2551	246	6	,	,	PUNCT
eurjchem-2551	246	7	s.	s.	PROPN
eurjchem-2551	246	8	;	;	PUNCT
eurjchem-2551	246	9	fatima	fatima	PROPN
eurjchem-2551	246	10	,	,	PUNCT
eurjchem-2551	246	11	s.	s.	PROPN
eurjchem-2551	246	12	;	;	PUNCT
eurjchem-2551	246	13	badshah	badshah	PROPN
eurjchem-2551	246	14	,	,	PUNCT
eurjchem-2551	246	15	a.	a.	PROPN
eurjchem-2551	246	16	;	;	PUNCT
eurjchem-2551	246	17	lal	lal	PROPN
eurjchem-2551	246	18	,	,	PUNCT
eurjchem-2551	246	19	b.	b.	PROPN
eurjchem-2551	246	20	;	;	PUNCT
eurjchem-2551	246	21	butler	butler	PROPN
eurjchem-2551	246	22	,	,	PUNCT
eurjchem-2551	246	23	i.	i.	PROPN
eurjchem-2551	246	24	s.	s.	PROPN
eurjchem-2551	246	25	biologically	biologically	ADV
eurjchem-2551	246	26	activehalo	activehalo	ADV
eurjchem-2551	246	27	-	-	PUNCT
eurjchem-2551	246	28	substituted	substitute	VERB
eurjchem-2551	246	29	ferrocenyl	ferrocenyl	NOUN
eurjchem-2551	246	30	thioureas	thiourea	NOUN
eurjchem-2551	246	31	:	:	PUNCT
eurjchem-2551	246	32	synthesis	synthesis	NOUN
eurjchem-2551	246	33	,	,	PUNCT
eurjchem-2551	246	34	spectroscopic	spectroscopic	ADJ
eurjchem-2551	246	35	characterization	characterization	NOUN
eurjchem-2551	246	36	,	,	PUNCT
eurjchem-2551	246	37	and	and	CCONJ
eurjchem-2551	246	38	dft	dft	PROPN
eurjchem-2551	246	39	calculations	calculation	NOUN
eurjchem-2551	246	40	.	.	PUNCT
eurjchem-2551	247	1	new	new	ADJ
eurjchem-2551	247	2	j	j	PROPN
eurjchem-2551	247	3	chem	chem	NOUN
eurjchem-2551	247	4	2018	2018	NUM
eurjchem-2551	247	5	,	,	PUNCT
eurjchem-2551	247	6	42	42	NUM
eurjchem-2551	247	7	,	,	PUNCT
eurjchem-2551	247	8	7154–7165	7154–7165	NUM
eurjchem-2551	247	9	.	.	PUNCT
eurjchem-2551	248	1	[	[	X
eurjchem-2551	248	2	4	4	NUM
eurjchem-2551	248	3	]	]	PUNCT
eurjchem-2551	248	4	.	.	PUNCT
eurjchem-2551	249	1	soni	soni	PROPN
eurjchem-2551	249	2	,	,	PUNCT
eurjchem-2551	249	3	l.	l.	PROPN
eurjchem-2551	249	4	k.	k.	PROPN
eurjchem-2551	249	5	;	;	PUNCT
eurjchem-2551	249	6	narsinghani	narsinghani	PROPN
eurjchem-2551	249	7	,	,	PUNCT
eurjchem-2551	249	8	t.	t.	PROPN
eurjchem-2551	249	9	;	;	PUNCT
eurjchem-2551	249	10	jain	jain	PROPN
eurjchem-2551	249	11	,	,	PUNCT
eurjchem-2551	249	12	r.	r.	NOUN
eurjchem-2551	249	13	synthesis	synthesis	NOUN
eurjchem-2551	249	14	and	and	CCONJ
eurjchem-2551	249	15	antibacterial	antibacterial	ADJ
eurjchem-2551	249	16	screening	screening	NOUN
eurjchem-2551	249	17	of	of	ADP
eurjchem-2551	249	18	some	some	DET
eurjchem-2551	249	19	1	1	NUM
eurjchem-2551	249	20	-	-	PUNCT
eurjchem-2551	249	21	aroyl-3	aroyl-3	NUM
eurjchem-2551	249	22	-	-	PUNCT
eurjchem-2551	249	23	aryl	aryl	NOUN
eurjchem-2551	249	24	thiourea	thiourea	NOUN
eurjchem-2551	249	25	derivatives	derivative	NOUN
eurjchem-2551	249	26	.	.	PUNCT
eurjchem-2551	250	1	isrn	isrn	PROPN
eurjchem-2551	250	2	med	me	VERB
eurjchem-2551	250	3	.	.	PUNCT
eurjchem-2551	250	4	chem	chem	PROPN
eurjchem-2551	250	5	.	.	PUNCT
eurjchem-2551	251	1	2014	2014	NUM
eurjchem-2551	251	2	,	,	PUNCT
eurjchem-2551	251	3	2014	2014	NUM
eurjchem-2551	251	4	,	,	PUNCT
eurjchem-2551	251	5	1–6	1–6	NUM
eurjchem-2551	251	6	,	,	PUNCT
eurjchem-2551	251	7	393102	393102	NUM
eurjchem-2551	251	8	.	.	PUNCT
eurjchem-2551	252	1	[	[	X
eurjchem-2551	252	2	5	5	NUM
eurjchem-2551	252	3	]	]	PUNCT
eurjchem-2551	252	4	.	.	PUNCT
eurjchem-2551	253	1	duan	duan	PROPN
eurjchem-2551	253	2	,	,	PUNCT
eurjchem-2551	253	3	l.-p	l.-p	PROPN
eurjchem-2551	253	4	.	.	PUNCT
eurjchem-2551	253	5	;	;	PUNCT
eurjchem-2551	253	6	xue	xue	PROPN
eurjchem-2551	253	7	,	,	PUNCT
eurjchem-2551	253	8	j.	j.	PROPN
eurjchem-2551	253	9	;	;	PUNCT
eurjchem-2551	253	10	xu	xu	PROPN
eurjchem-2551	253	11	,	,	PUNCT
eurjchem-2551	253	12	l.-l	l.-l	PROPN
eurjchem-2551	253	13	.	.	PUNCT
eurjchem-2551	253	14	;	;	PUNCT
eurjchem-2551	253	15	zhang	zhang	PROPN
eurjchem-2551	253	16	,	,	PUNCT
eurjchem-2551	253	17	h.-b	h.-b	PROPN
eurjchem-2551	253	18	.	.	PUNCT
eurjchem-2551	253	19	synthesis	synthesis	NOUN
eurjchem-2551	253	20	1	1	NUM
eurjchem-2551	253	21	-	-	PUNCT
eurjchem-2551	253	22	acyl-3-(2’aminophenyl	acyl-3-(2’aminophenyl	NOUN
eurjchem-2551	253	23	)	)	PUNCT
eurjchem-2551	253	24	thioureas	thiourea	NOUN
eurjchem-2551	253	25	as	as	ADP
eurjchem-2551	253	26	anti	anti	ADJ
eurjchem-2551	253	27	-	-	ADJ
eurjchem-2551	253	28	intestinal	intestinal	ADJ
eurjchem-2551	253	29	nematode	nematode	NOUN
eurjchem-2551	253	30	prodrugs	prodrug	NOUN
eurjchem-2551	253	31	.	.	PUNCT
eurjchem-2551	254	1	molecules	molecule	NOUN
eurjchem-2551	254	2	2010	2010	NUM
eurjchem-2551	254	3	,	,	PUNCT
eurjchem-2551	254	4	15	15	NUM
eurjchem-2551	254	5	,	,	PUNCT
eurjchem-2551	254	6	6941–6947	6941–6947	NUM
eurjchem-2551	254	7	.	.	PUNCT
eurjchem-2551	255	1	[	[	X
eurjchem-2551	255	2	6	6	NUM
eurjchem-2551	255	3	]	]	PUNCT
eurjchem-2551	255	4	.	.	PUNCT
eurjchem-2551	256	1	shaabanzadeh	shaabanzadeh	PROPN
eurjchem-2551	256	2	,	,	PUNCT
eurjchem-2551	256	3	m.	m.	NOUN
eurjchem-2551	256	4	;	;	PUNCT
eurjchem-2551	256	5	khabari	khabari	PROPN
eurjchem-2551	256	6	,	,	PUNCT
eurjchem-2551	256	7	f.	f.	PROPN
eurjchem-2551	256	8	one	one	NUM
eurjchem-2551	256	9	-	-	PUNCT
eurjchem-2551	256	10	pot	pot	NOUN
eurjchem-2551	256	11	diastereoselective	diastereoselective	ADJ
eurjchem-2551	256	12	synthesis	synthesis	NOUN
eurjchem-2551	256	13	of	of	ADP
eurjchem-2551	256	14	new	new	ADJ
eurjchem-2551	256	15	spiro	spiro	NOUN
eurjchem-2551	256	16	indenoquinoxaline	indenoquinoxaline	NOUN
eurjchem-2551	256	17	derivatives	derivative	NOUN
eurjchem-2551	256	18	containing	contain	VERB
eurjchem-2551	256	19	cyclopropane	cyclopropane	NOUN
eurjchem-2551	256	20	ring	ring	NOUN
eurjchem-2551	256	21	.	.	PUNCT
eurjchem-2551	257	1	arkivoc	arkivoc	NOUN
eurjchem-2551	257	2	2009	2009	NUM
eurjchem-2551	257	3	,	,	PUNCT
eurjchem-2551	257	4	2009	2009	NUM
eurjchem-2551	257	5	,	,	PUNCT
eurjchem-2551	257	6	307–315	307–315	NUM
eurjchem-2551	257	7	.	.	PUNCT
eurjchem-2551	258	1	[	[	X
eurjchem-2551	258	2	7	7	NUM
eurjchem-2551	258	3	]	]	PUNCT
eurjchem-2551	258	4	.	.	PUNCT
eurjchem-2551	259	1	aydın	aydın	PROPN
eurjchem-2551	259	2	,	,	PUNCT
eurjchem-2551	259	3	f.	f.	PROPN
eurjchem-2551	259	4	;	;	PUNCT
eurjchem-2551	259	5	ünver	ünver	PROPN
eurjchem-2551	259	6	,	,	PUNCT
eurjchem-2551	259	7	h.	h.	PROPN
eurjchem-2551	259	8	;	;	PUNCT
eurjchem-2551	259	9	aykaç	aykaç	PROPN
eurjchem-2551	259	10	,	,	PUNCT
eurjchem-2551	259	11	d.	d.	PROPN
eurjchem-2551	259	12	;	;	PUNCT
eurjchem-2551	259	13	i̇skeleli	i̇skeleli	PROPN
eurjchem-2551	259	14	,	,	PUNCT
eurjchem-2551	259	15	n.	n.	NOUN
eurjchem-2551	259	16	o.	o.	NOUN
eurjchem-2551	259	17	spectroscopic	spectroscopic	PROPN
eurjchem-2551	259	18	studies	study	NOUN
eurjchem-2551	259	19	and	and	CCONJ
eurjchem-2551	259	20	structure	structure	NOUN
eurjchem-2551	259	21	of	of	ADP
eurjchem-2551	259	22	4-(3	4-(3	PROPN
eurjchem-2551	259	23	-	-	PUNCT
eurjchem-2551	259	24	benzoylthioureido)benzoic	benzoylthioureido)benzoic	NOUN
eurjchem-2551	259	25	acid	acid	NOUN
eurjchem-2551	259	26	.	.	PUNCT
eurjchem-2551	260	1	j.	j.	PROPN
eurjchem-2551	260	2	chem	chem	PROPN
eurjchem-2551	260	3	.	.	PUNCT
eurjchem-2551	261	1	crystallogr	crystallogr	PROPN
eurjchem-2551	261	2	.	.	PUNCT
eurjchem-2551	262	1	2010	2010	NUM
eurjchem-2551	262	2	,	,	PUNCT
eurjchem-2551	262	3	40	40	NUM
eurjchem-2551	262	4	,	,	PUNCT
eurjchem-2551	262	5	1082–1086	1082–1086	NUM
eurjchem-2551	262	6	.	.	PUNCT
eurjchem-2551	263	1	[	[	X
eurjchem-2551	263	2	8	8	NUM
eurjchem-2551	263	3	]	]	PUNCT
eurjchem-2551	263	4	.	.	PUNCT
eurjchem-2551	264	1	ozer	ozer	PROPN
eurjchem-2551	264	2	,	,	PUNCT
eurjchem-2551	264	3	c.	c.	PROPN
eurjchem-2551	264	4	k.	k.	PROPN
eurjchem-2551	264	5	;	;	PUNCT
eurjchem-2551	264	6	binzet	binzet	PROPN
eurjchem-2551	264	7	,	,	PUNCT
eurjchem-2551	264	8	g.	g.	PROPN
eurjchem-2551	264	9	;	;	PUNCT
eurjchem-2551	264	10	arslan	arslan	PROPN
eurjchem-2551	264	11	,	,	PUNCT
eurjchem-2551	264	12	h.	h.	PROPN
eurjchem-2551	264	13	crystal	crystal	PROPN
eurjchem-2551	264	14	and	and	CCONJ
eurjchem-2551	264	15	molecular	molecular	ADJ
eurjchem-2551	264	16	structure	structure	NOUN
eurjchem-2551	264	17	of	of	ADP
eurjchem-2551	264	18	bis(n-(diethylcarbamothioyl)cyclohexane	bis(n-(diethylcarbamothioyl)cyclohexane	PROPN
eurjchem-2551	264	19	carboxamido)copper(ii	carboxamido)copper(ii	PROPN
eurjchem-2551	264	20	)	)	PUNCT
eurjchem-2551	264	21	complex	complex	NOUN
eurjchem-2551	264	22	.	.	PUNCT
eurjchem-2551	265	1	eur	eur	PROPN
eurjchem-2551	265	2	.	.	PUNCT
eurjchem-2551	266	1	j.	j.	PROPN
eurjchem-2551	266	2	chem	chem	PROPN
eurjchem-2551	266	3	.	.	PUNCT
eurjchem-2551	267	1	2020	2020	NUM
eurjchem-2551	267	2	,	,	PUNCT
eurjchem-2551	267	3	11	11	NUM
eurjchem-2551	267	4	,	,	PUNCT
eurjchem-2551	267	5	319–323	319–323	NUM
eurjchem-2551	267	6	.	.	PUNCT
eurjchem-2551	268	1	[	[	X
eurjchem-2551	268	2	9	9	NUM
eurjchem-2551	268	3	]	]	PUNCT
eurjchem-2551	268	4	.	.	PUNCT
eurjchem-2551	269	1	solmaz	solmaz	PROPN
eurjchem-2551	269	2	,	,	PUNCT
eurjchem-2551	269	3	u.	u.	PROPN
eurjchem-2551	269	4	;	;	PUNCT
eurjchem-2551	269	5	gumus	gumus	PROPN
eurjchem-2551	269	6	,	,	PUNCT
eurjchem-2551	269	7	i.	i.	NOUN
eurjchem-2551	269	8	;	;	PUNCT
eurjchem-2551	269	9	binzet	binzet	PROPN
eurjchem-2551	269	10	,	,	PUNCT
eurjchem-2551	269	11	g.	g.	PROPN
eurjchem-2551	269	12	;	;	PUNCT
eurjchem-2551	269	13	celik	celik	VERB
eurjchem-2551	269	14	,	,	PUNCT
eurjchem-2551	269	15	o.	o.	INTJ
eurjchem-2551	269	16	;	;	PUNCT
eurjchem-2551	269	17	balci	balci	NOUN
eurjchem-2551	269	18	,	,	PUNCT
eurjchem-2551	269	19	g.	g.	PROPN
eurjchem-2551	269	20	k.	k.	PROPN
eurjchem-2551	269	21	;	;	PUNCT
eurjchem-2551	270	1	dogen	dogen	PROPN
eurjchem-2551	270	2	,	,	PUNCT
eurjchem-2551	270	3	a.	a.	PROPN
eurjchem-2551	270	4	;	;	PUNCT
eurjchem-2551	270	5	arslan	arslan	PROPN
eurjchem-2551	270	6	,	,	PUNCT
eurjchem-2551	270	7	h.	h.	PROPN
eurjchem-2551	270	8	synthesis	synthesis	PROPN
eurjchem-2551	270	9	,	,	PUNCT
eurjchem-2551	270	10	characterization	characterization	NOUN
eurjchem-2551	270	11	,	,	PUNCT
eurjchem-2551	270	12	crystal	crystal	NOUN
eurjchem-2551	270	13	structure	structure	NOUN
eurjchem-2551	270	14	,	,	PUNCT
eurjchem-2551	270	15	and	and	CCONJ
eurjchem-2551	270	16	antimicrobial	antimicrobial	ADJ
eurjchem-2551	270	17	studies	study	NOUN
eurjchem-2551	270	18	of	of	ADP
eurjchem-2551	270	19	novel	novel	ADJ
eurjchem-2551	270	20	thiourea	thiourea	NOUN
eurjchem-2551	270	21	derivative	derivative	ADJ
eurjchem-2551	270	22	ligands	ligand	NOUN
eurjchem-2551	270	23	and	and	CCONJ
eurjchem-2551	270	24	their	their	PRON
eurjchem-2551	270	25	platinum	platinum	NOUN
eurjchem-2551	270	26	complexes	complex	NOUN
eurjchem-2551	270	27	.	.	PUNCT
eurjchem-2551	271	1	j.	j.	PROPN
eurjchem-2551	271	2	coord	coord	PROPN
eurjchem-2551	271	3	.	.	PUNCT
eurjchem-2551	272	1	chem	chem	NOUN
eurjchem-2551	272	2	.	.	PUNCT
eurjchem-2551	273	1	2018	2018	NUM
eurjchem-2551	273	2	,	,	PUNCT
eurjchem-2551	273	3	71	71	NUM
eurjchem-2551	273	4	,	,	PUNCT
eurjchem-2551	273	5	200–218	200–218	NUM
eurjchem-2551	273	6	.	.	PUNCT
eurjchem-2551	274	1	[	[	X
eurjchem-2551	274	2	10	10	NUM
eurjchem-2551	274	3	]	]	PUNCT
eurjchem-2551	274	4	.	.	PUNCT
eurjchem-2551	275	1	luckay	luckay	PROPN
eurjchem-2551	275	2	,	,	PUNCT
eurjchem-2551	275	3	r.	r.	PROPN
eurjchem-2551	275	4	c.	c.	PROPN
eurjchem-2551	275	5	;	;	PUNCT
eurjchem-2551	275	6	mebrahtu	mebrahtu	PROPN
eurjchem-2551	275	7	,	,	PUNCT
eurjchem-2551	275	8	f.	f.	PROPN
eurjchem-2551	275	9	;	;	PUNCT
eurjchem-2551	275	10	esterhuysen	esterhuysen	PROPN
eurjchem-2551	275	11	,	,	PUNCT
eurjchem-2551	275	12	c.	c.	PROPN
eurjchem-2551	275	13	;	;	PUNCT
eurjchem-2551	275	14	koch	koch	PROPN
eurjchem-2551	275	15	,	,	PUNCT
eurjchem-2551	275	16	k.	k.	PROPN
eurjchem-2551	275	17	r.	r.	PROPN
eurjchem-2551	275	18	extraction	extraction	NOUN
eurjchem-2551	275	19	and	and	CCONJ
eurjchem-2551	275	20	transport	transport	NOUN
eurjchem-2551	275	21	of	of	ADP
eurjchem-2551	275	22	gold(iii	gold(iii	NOUN
eurjchem-2551	275	23	)	)	PUNCT
eurjchem-2551	275	24	using	use	VERB
eurjchem-2551	275	25	some	some	DET
eurjchem-2551	275	26	acyl(aroyl)thiourea	acyl(aroyl)thiourea	ADJ
eurjchem-2551	275	27	ligands	ligand	NOUN
eurjchem-2551	275	28	and	and	CCONJ
eurjchem-2551	275	29	a	a	DET
eurjchem-2551	275	30	crystal	crystal	NOUN
eurjchem-2551	275	31	structure	structure	NOUN
eurjchem-2551	275	32	of	of	ADP
eurjchem-2551	275	33	one	one	NUM
eurjchem-2551	275	34	of	of	ADP
eurjchem-2551	275	35	the	the	DET
eurjchem-2551	275	36	complexes	complex	NOUN
eurjchem-2551	275	37	.	.	PUNCT
eurjchem-2551	276	1	inorg	inorg	PROPN
eurjchem-2551	276	2	.	.	PUNCT
eurjchem-2551	277	1	chem	chem	PROPN
eurjchem-2551	277	2	.	.	PUNCT
eurjchem-2551	278	1	commun	commun	PROPN
eurjchem-2551	278	2	.	.	PUNCT
eurjchem-2551	279	1	2010	2010	NUM
eurjchem-2551	279	2	,	,	PUNCT
eurjchem-2551	279	3	13	13	NUM
eurjchem-2551	279	4	,	,	PUNCT
eurjchem-2551	279	5	468–470	468–470	NUM
eurjchem-2551	279	6	.	.	PUNCT
eurjchem-2551	280	1	[	[	X
eurjchem-2551	280	2	11	11	NUM
eurjchem-2551	280	3	]	]	PUNCT
eurjchem-2551	280	4	.	.	PUNCT
eurjchem-2551	281	1	aydin	aydin	PROPN
eurjchem-2551	281	2	,	,	PUNCT
eurjchem-2551	281	3	f.	f.	PROPN
eurjchem-2551	281	4	;	;	PUNCT
eurjchem-2551	281	5	aykaç	aykaç	PROPN
eurjchem-2551	281	6	,	,	PUNCT
eurjchem-2551	281	7	d.	d.	PROPN
eurjchem-2551	281	8	;	;	PUNCT
eurjchem-2551	281	9	burcu	burcu	PROPN
eurjchem-2551	281	10	arslan	arslan	PROPN
eurjchem-2551	281	11	,	,	PUNCT
eurjchem-2551	281	12	n.	n.	PROPN
eurjchem-2551	281	13	;	;	PUNCT
eurjchem-2551	281	14	kazak	kazak	PROPN
eurjchem-2551	281	15	,	,	PUNCT
eurjchem-2551	281	16	c.	c.	PROPN
eurjchem-2551	281	17	synthesis	synthesis	NOUN
eurjchem-2551	281	18	,	,	PUNCT
eurjchem-2551	281	19	characterization	characterization	NOUN
eurjchem-2551	281	20	,	,	PUNCT
eurjchem-2551	281	21	and	and	CCONJ
eurjchem-2551	281	22	crystal	crystal	NOUN
eurjchem-2551	281	23	structure	structure	NOUN
eurjchem-2551	281	24	of	of	ADP
eurjchem-2551	281	25	bis[4-(3′-benzoyl	bis[4-(3′-benzoyl	NOUN
eurjchem-2551	281	26	)	)	PUNCT
eurjchem-2551	282	1	thiocarbamidophenyl]ether	thiocarbamidophenyl]ether	PROPN
eurjchem-2551	282	2	.	.	PUNCT
eurjchem-2551	282	3	crystallogr	crystallogr	PROPN
eurjchem-2551	282	4	.	.	PUNCT
eurjchem-2551	283	1	rep	rep	PROPN
eurjchem-2551	283	2	.	.	PROPN
eurjchem-2551	283	3	2014	2014	NUM
eurjchem-2551	283	4	,	,	PUNCT
eurjchem-2551	283	5	59	59	NUM
eurjchem-2551	283	6	,	,	PUNCT
eurjchem-2551	283	7	955–960	955–960	NUM
eurjchem-2551	283	8	.	.	PUNCT
eurjchem-2551	284	1	[	[	X
eurjchem-2551	284	2	12	12	NUM
eurjchem-2551	284	3	]	]	PUNCT
eurjchem-2551	284	4	.	.	PUNCT
eurjchem-2551	285	1	contreras	contreras	PROPN
eurjchem-2551	285	2	aguilar	aguilar	PROPN
eurjchem-2551	285	3	,	,	PUNCT
eurjchem-2551	285	4	e.	e.	PROPN
eurjchem-2551	285	5	;	;	PUNCT
eurjchem-2551	285	6	echeverría	echeverría	NOUN
eurjchem-2551	285	7	,	,	PUNCT
eurjchem-2551	285	8	g.	g.	PROPN
eurjchem-2551	285	9	a.	a.	PROPN
eurjchem-2551	285	10	;	;	PUNCT
eurjchem-2551	285	11	piro	piro	PROPN
eurjchem-2551	285	12	,	,	PUNCT
eurjchem-2551	285	13	o.	o.	PROPN
eurjchem-2551	285	14	e.	e.	PROPN
eurjchem-2551	285	15	;	;	PUNCT
eurjchem-2551	285	16	ulic	ulic	PROPN
eurjchem-2551	285	17	,	,	PUNCT
eurjchem-2551	285	18	s.	s.	PROPN
eurjchem-2551	285	19	e.	e.	PROPN
eurjchem-2551	285	20	;	;	PUNCT
eurjchem-2551	285	21	jios	jios	PROPN
eurjchem-2551	285	22	,	,	PUNCT
eurjchem-2551	285	23	j.	j.	PROPN
eurjchem-2551	285	24	l.	l.	PROPN
eurjchem-2551	285	25	;	;	PUNCT
eurjchem-2551	285	26	tuttolomondo	tuttolomondo	NOUN
eurjchem-2551	285	27	,	,	PUNCT
eurjchem-2551	285	28	m.	m.	PROPN
eurjchem-2551	285	29	e.	e.	PROPN
eurjchem-2551	285	30	;	;	PUNCT
eurjchem-2551	285	31	molina	molina	PROPN
eurjchem-2551	285	32	,	,	PUNCT
eurjchem-2551	285	33	r.	r.	PROPN
eurjchem-2551	285	34	d.	d.	PROPN
eurjchem-2551	285	35	i.	i.	PROPN
eurjchem-2551	285	36	;	;	PUNCT
eurjchem-2551	285	37	arena	arena	NOUN
eurjchem-2551	285	38	,	,	PUNCT
eurjchem-2551	285	39	m.	m.	NOUN
eurjchem-2551	285	40	e.	e.	PROPN
eurjchem-2551	285	41	acyl	acyl	PROPN
eurjchem-2551	285	42	thiourea	thiourea	NOUN
eurjchem-2551	285	43	derivatives	derivative	NOUN
eurjchem-2551	285	44	:	:	PUNCT
eurjchem-2551	285	45	a	a	DET
eurjchem-2551	285	46	study	study	NOUN
eurjchem-2551	285	47	of	of	ADP
eurjchem-2551	285	48	crystallographic	crystallographic	ADJ
eurjchem-2551	285	49	,	,	PUNCT
eurjchem-2551	285	50	bonding	bonding	NOUN
eurjchem-2551	285	51	,	,	PUNCT
eurjchem-2551	285	52	biological	biological	ADJ
eurjchem-2551	285	53	and	and	CCONJ
eurjchem-2551	285	54	spectral	spectral	ADJ
eurjchem-2551	285	55	properties	property	NOUN
eurjchem-2551	285	56	.	.	PUNCT
eurjchem-2551	286	1	chem	chem	NOUN
eurjchem-2551	286	2	.	.	PUNCT
eurjchem-2551	287	1	phys	phy	NOUN
eurjchem-2551	287	2	.	.	PUNCT
eurjchem-2551	288	1	lett	lett	PROPN
eurjchem-2551	288	2	.	.	PROPN
eurjchem-2551	289	1	2019	2019	NUM
eurjchem-2551	289	2	,	,	PUNCT
eurjchem-2551	289	3	715	715	NUM
eurjchem-2551	289	4	,	,	PUNCT
eurjchem-2551	289	5	64–71	64–71	NOUN
eurjchem-2551	289	6	.	.	PUNCT
eurjchem-2551	290	1	[	[	X
eurjchem-2551	290	2	13	13	NUM
eurjchem-2551	290	3	]	]	PUNCT
eurjchem-2551	290	4	.	.	PUNCT
eurjchem-2551	291	1	aydin	aydin	PROPN
eurjchem-2551	291	2	,	,	PUNCT
eurjchem-2551	291	3	f.	f.	PROPN
eurjchem-2551	291	4	;	;	PUNCT
eurjchem-2551	291	5	arslan	arslan	PROPN
eurjchem-2551	291	6	,	,	PUNCT
eurjchem-2551	291	7	n.	n.	PROPN
eurjchem-2551	291	8	b.	b.	PROPN
eurjchem-2551	291	9	synthesis	synthesis	PROPN
eurjchem-2551	291	10	,	,	PUNCT
eurjchem-2551	291	11	crystal	crystal	NOUN
eurjchem-2551	291	12	structure	structure	NOUN
eurjchem-2551	291	13	and	and	CCONJ
eurjchem-2551	291	14	cyclic	cyclic	ADJ
eurjchem-2551	291	15	voltammetric	voltammetric	ADJ
eurjchem-2551	291	16	behavior	behavior	NOUN
eurjchem-2551	291	17	of	of	ADP
eurjchem-2551	291	18	n	n	CCONJ
eurjchem-2551	291	19	-	-	PUNCT
eurjchem-2551	291	20	aroyl	aroyl	NOUN
eurjchem-2551	291	21	-	-	PUNCT
eurjchem-2551	291	22	n′-(4′-cyanophenyl)thioureas	n′-(4′-cyanophenyl)thiourea	NOUN
eurjchem-2551	291	23	.	.	PUNCT
eurjchem-2551	292	1	molbank	molbank	PROPN
eurjchem-2551	292	2	2022	2022	NUM
eurjchem-2551	292	3	,	,	PUNCT
eurjchem-2551	292	4	2022	2022	NUM
eurjchem-2551	292	5	,	,	PUNCT
eurjchem-2551	292	6	m1316	m1316	X
eurjchem-2551	292	7	.	.	PUNCT
eurjchem-2551	293	1	[	[	X
eurjchem-2551	293	2	14	14	NUM
eurjchem-2551	293	3	]	]	SYM
eurjchem-2551	293	4	.	.	PUNCT
eurjchem-2551	294	1	pinter	pinter	PROPN
eurjchem-2551	294	2	,	,	PUNCT
eurjchem-2551	294	3	b.	b.	PROPN
eurjchem-2551	294	4	;	;	PUNCT
eurjchem-2551	294	5	fievez	fievez	PROPN
eurjchem-2551	294	6	,	,	PUNCT
eurjchem-2551	294	7	t.	t.	PROPN
eurjchem-2551	294	8	;	;	PUNCT
eurjchem-2551	294	9	bickelhaupt	bickelhaupt	PROPN
eurjchem-2551	294	10	,	,	PUNCT
eurjchem-2551	294	11	f.	f.	PROPN
eurjchem-2551	294	12	m.	m.	PROPN
eurjchem-2551	294	13	;	;	PUNCT
eurjchem-2551	294	14	geerlings	geerling	NOUN
eurjchem-2551	294	15	,	,	PUNCT
eurjchem-2551	294	16	p.	p.	NOUN
eurjchem-2551	294	17	;	;	PUNCT
eurjchem-2551	294	18	de	de	PROPN
eurjchem-2551	294	19	proft	proft	PROPN
eurjchem-2551	294	20	,	,	PUNCT
eurjchem-2551	294	21	f.	f.	PROPN
eurjchem-2551	294	22	on	on	ADP
eurjchem-2551	294	23	the	the	DET
eurjchem-2551	294	24	origin	origin	NOUN
eurjchem-2551	294	25	of	of	ADP
eurjchem-2551	294	26	the	the	DET
eurjchem-2551	294	27	steric	steric	ADJ
eurjchem-2551	294	28	effect	effect	NOUN
eurjchem-2551	294	29	.	.	PUNCT
eurjchem-2551	295	1	phys	phy	NOUN
eurjchem-2551	295	2	.	.	PUNCT
eurjchem-2551	296	1	chem	chem	PROPN
eurjchem-2551	296	2	.	.	PUNCT
eurjchem-2551	297	1	chem	chem	NOUN
eurjchem-2551	297	2	.	.	PUNCT
eurjchem-2551	298	1	phys	phy	NOUN
eurjchem-2551	298	2	.	.	PUNCT
eurjchem-2551	299	1	2012	2012	NUM
eurjchem-2551	299	2	,	,	PUNCT
eurjchem-2551	299	3	14	14	NUM
eurjchem-2551	299	4	,	,	PUNCT
eurjchem-2551	299	5	9846	9846	NUM
eurjchem-2551	299	6	.	.	PUNCT
eurjchem-2551	300	1	[	[	X
eurjchem-2551	300	2	15	15	NUM
eurjchem-2551	300	3	]	]	PUNCT
eurjchem-2551	300	4	.	.	PUNCT
eurjchem-2551	301	1	geiger	geiger	PROPN
eurjchem-2551	301	2	,	,	PUNCT
eurjchem-2551	301	3	t.	t.	PROPN
eurjchem-2551	301	4	;	;	PUNCT
eurjchem-2551	301	5	haupt	haupt	PROPN
eurjchem-2551	301	6	,	,	PUNCT
eurjchem-2551	301	7	a.	a.	PROPN
eurjchem-2551	301	8	;	;	PUNCT
eurjchem-2551	301	9	maichle	maichle	ADJ
eurjchem-2551	301	10	-	-	PUNCT
eurjchem-2551	301	11	mössmer	mössmer	ADJ
eurjchem-2551	301	12	,	,	PUNCT
eurjchem-2551	301	13	c.	c.	NOUN
eurjchem-2551	301	14	;	;	PUNCT
eurjchem-2551	301	15	schrenk	schrenk	NOUN
eurjchem-2551	301	16	,	,	PUNCT
eurjchem-2551	301	17	c.	c.	PROPN
eurjchem-2551	301	18	;	;	PUNCT
eurjchem-2551	301	19	schnepf	schnepf	ADJ
eurjchem-2551	301	20	,	,	PUNCT
eurjchem-2551	301	21	a.	a.	NOUN
eurjchem-2551	301	22	;	;	PUNCT
eurjchem-2551	301	23	bettinger	bettinger	NOUN
eurjchem-2551	301	24	,	,	PUNCT
eurjchem-2551	301	25	h.	h.	PROPN
eurjchem-2551	301	26	f.	f.	PROPN
eurjchem-2551	301	27	synthesis	synthesis	PROPN
eurjchem-2551	301	28	and	and	CCONJ
eurjchem-2551	301	29	photodimerization	photodimerization	NOUN
eurjchem-2551	301	30	of	of	ADP
eurjchem-2551	301	31	2and	2and	NUM
eurjchem-2551	301	32	2,3disubstituted	2,3disubstitute	VERB
eurjchem-2551	301	33	anthracenes	anthracene	NOUN
eurjchem-2551	301	34	:	:	PUNCT
eurjchem-2551	301	35	influence	influence	NOUN
eurjchem-2551	301	36	of	of	ADP
eurjchem-2551	301	37	steric	steric	ADJ
eurjchem-2551	301	38	interactions	interaction	NOUN
eurjchem-2551	301	39	and	and	CCONJ
eurjchem-2551	301	40	london	london	PROPN
eurjchem-2551	301	41	dispersion	dispersion	NOUN
eurjchem-2551	301	42	on	on	ADP
eurjchem-2551	301	43	diastereoselectivity	diastereoselectivity	NOUN
eurjchem-2551	301	44	.	.	PUNCT
eurjchem-2551	302	1	j.	j.	PROPN
eurjchem-2551	302	2	org	org	PROPN
eurjchem-2551	302	3	.	.	PUNCT
eurjchem-2551	302	4	chem	chem	PROPN
eurjchem-2551	302	5	.	.	PUNCT
eurjchem-2551	303	1	2019	2019	NUM
eurjchem-2551	303	2	,	,	PUNCT
eurjchem-2551	303	3	84	84	NUM
eurjchem-2551	303	4	,	,	PUNCT
eurjchem-2551	303	5	10120–10135	10120–10135	NUM
eurjchem-2551	303	6	.	.	PUNCT
eurjchem-2551	304	1	[	[	X
eurjchem-2551	304	2	16	16	NUM
eurjchem-2551	304	3	]	]	PUNCT
eurjchem-2551	304	4	.	.	PUNCT
eurjchem-2551	305	1	audu	audu	ADJ
eurjchem-2551	305	2	,	,	PUNCT
eurjchem-2551	305	3	o.	o.	PROPN
eurjchem-2551	305	4	y.	y.	PROPN
eurjchem-2551	305	5	;	;	PUNCT
eurjchem-2551	305	6	jooste	jooste	PROPN
eurjchem-2551	305	7	,	,	PUNCT
eurjchem-2551	305	8	j.	j.	PROPN
eurjchem-2551	305	9	;	;	PUNCT
eurjchem-2551	305	10	malan	malan	PROPN
eurjchem-2551	305	11	,	,	PUNCT
eurjchem-2551	305	12	f.	f.	PROPN
eurjchem-2551	305	13	p.	p.	PROPN
eurjchem-2551	305	14	;	;	PUNCT
eurjchem-2551	306	1	ajani	ajani	PROPN
eurjchem-2551	306	2	,	,	PUNCT
eurjchem-2551	306	3	o.	o.	PROPN
eurjchem-2551	306	4	o.	o.	PROPN
eurjchem-2551	306	5	;	;	PUNCT
eurjchem-2551	306	6	october	october	PROPN
eurjchem-2551	306	7	,	,	PUNCT
eurjchem-2551	306	8	n.	n.	NOUN
eurjchem-2551	306	9	synthesis	synthesis	NOUN
eurjchem-2551	306	10	,	,	PUNCT
eurjchem-2551	306	11	characterization	characterization	NOUN
eurjchem-2551	306	12	,	,	PUNCT
eurjchem-2551	306	13	molecular	molecular	ADJ
eurjchem-2551	306	14	structure	structure	NOUN
eurjchem-2551	306	15	,	,	PUNCT
eurjchem-2551	306	16	and	and	CCONJ
eurjchem-2551	306	17	computational	computational	ADJ
eurjchem-2551	306	18	studies	study	NOUN
eurjchem-2551	306	19	on	on	ADP
eurjchem-2551	306	20	4(1h)-pyran-4	4(1h)-pyran-4	PROPN
eurjchem-2551	306	21	-	-	PUNCT
eurjchem-2551	306	22	one	one	NUM
eurjchem-2551	306	23	and	and	CCONJ
eurjchem-2551	306	24	its	its	PRON
eurjchem-2551	306	25	derivatives	derivative	NOUN
eurjchem-2551	306	26	.	.	PUNCT
eurjchem-2551	307	1	j.	j.	PROPN
eurjchem-2551	307	2	mol	mol	PROPN
eurjchem-2551	307	3	.	.	PROPN
eurjchem-2551	307	4	struct	struct	NOUN
eurjchem-2551	307	5	.	.	PUNCT
eurjchem-2551	307	6	2021	2021	NUM
eurjchem-2551	307	7	,	,	PUNCT
eurjchem-2551	307	8	1245	1245	NUM
eurjchem-2551	307	9	,	,	PUNCT
eurjchem-2551	307	10	131077	131077	NUM
eurjchem-2551	307	11	.	.	PUNCT
eurjchem-2551	308	1	[	[	X
eurjchem-2551	308	2	17	17	NUM
eurjchem-2551	308	3	]	]	PUNCT
eurjchem-2551	308	4	.	.	PUNCT
eurjchem-2551	309	1	udofia	udofia	PROPN
eurjchem-2551	309	2	,	,	PUNCT
eurjchem-2551	309	3	i.	i.	PROPN
eurjchem-2551	309	4	a.	a.	PROPN
eurjchem-2551	309	5	;	;	PUNCT
eurjchem-2551	309	6	trust	trust	PROPN
eurjchem-2551	309	7	ekama	ekama	PROPN
eurjchem-2551	309	8	;	;	PUNCT
eurjchem-2551	309	9	ogunbayo	ogunbayo	VERB
eurjchem-2551	309	10	,	,	PUNCT
eurjchem-2551	309	11	t.	t.	PROPN
eurjchem-2551	309	12	b.	b.	PROPN
eurjchem-2551	309	13	;	;	PUNCT
eurjchem-2551	309	14	oloba	oloba	NOUN
eurjchem-2551	309	15	-	-	PUNCT
eurjchem-2551	309	16	whenu	whenu	PROPN
eurjchem-2551	309	17	,	,	PUNCT
eurjchem-2551	309	18	o.	o.	NOUN
eurjchem-2551	309	19	a.	a.	PROPN
eurjchem-2551	309	20	;	;	PUNCT
eurjchem-2551	309	21	rhyman	rhyman	NOUN
eurjchem-2551	309	22	,	,	PUNCT
eurjchem-2551	309	23	l.	l.	PROPN
eurjchem-2551	309	24	;	;	PUNCT
eurjchem-2551	309	25	isanbor	isanbor	PROPN
eurjchem-2551	309	26	,	,	PUNCT
eurjchem-2551	309	27	c.	c.	NOUN
eurjchem-2551	309	28	;	;	PUNCT
eurjchem-2551	309	29	ramasami	ramasami	NOUN
eurjchem-2551	309	30	,	,	PUNCT
eurjchem-2551	309	31	p.	p.	NOUN
eurjchem-2551	309	32	experimental	experimental	ADJ
eurjchem-2551	309	33	and	and	CCONJ
eurjchem-2551	309	34	theoretical	theoretical	ADJ
eurjchem-2551	309	35	calculation	calculation	NOUN
eurjchem-2551	309	36	of	of	ADP
eurjchem-2551	309	37	pka	pka	PROPN
eurjchem-2551	309	38	values	value	NOUN
eurjchem-2551	309	39	of	of	ADP
eurjchem-2551	309	40	substituted-2,4,6	substituted-2,4,6	NOUN
eurjchem-2551	309	41	-	-	NOUN
eurjchem-2551	309	42	trinitrodiphenylamines	trinitrodiphenylamine	NOUN
eurjchem-2551	309	43	.	.	PUNCT
eurjchem-2551	310	1	j.	j.	PROPN
eurjchem-2551	310	2	mol	mol	PROPN
eurjchem-2551	310	3	.	.	PROPN
eurjchem-2551	310	4	liq	liq	PROPN
eurjchem-2551	310	5	.	.	PUNCT
eurjchem-2551	311	1	2023	2023	NUM
eurjchem-2551	311	2	,	,	PUNCT
eurjchem-2551	311	3	371	371	NUM
eurjchem-2551	311	4	,	,	PUNCT
eurjchem-2551	311	5	120926	120926	NUM
eurjchem-2551	311	6	.	.	PUNCT
eurjchem-2551	312	1	[	[	X
eurjchem-2551	312	2	18	18	NUM
eurjchem-2551	312	3	]	]	PUNCT
eurjchem-2551	312	4	.	.	PUNCT
eurjchem-2551	312	5	sheldrick	sheldrick	NOUN
eurjchem-2551	312	6	,	,	PUNCT
eurjchem-2551	312	7	g.	g.	PROPN
eurjchem-2551	312	8	m.	m.	PROPN
eurjchem-2551	312	9	shelxs-97	shelxs-97	PROPN
eurjchem-2551	312	10	and	and	CCONJ
eurjchem-2551	312	11	shelxl-97	shelxl-97	PROPN
eurjchem-2551	312	12	program	program	NOUN
eurjchem-2551	312	13	for	for	ADP
eurjchem-2551	312	14	crystal	crystal	NOUN
eurjchem-2551	312	15	structure	structure	NOUN
eurjchem-2551	312	16	solution	solution	NOUN
eurjchem-2551	312	17	and	and	CCONJ
eurjchem-2551	312	18	refinement	refinement	NOUN
eurjchem-2551	312	19	.	.	PUNCT
eurjchem-2551	313	1	university	university	NOUN
eurjchem-2551	313	2	of	of	ADP
eurjchem-2551	313	3	gottingen	gottingen	PROPN
eurjchem-2551	313	4	,	,	PUNCT
eurjchem-2551	313	5	germany	germany	PROPN
eurjchem-2551	313	6	,	,	PUNCT
eurjchem-2551	313	7	germany	germany	PROPN
eurjchem-2551	313	8	,	,	PUNCT
eurjchem-2551	313	9	1997	1997	NUM
eurjchem-2551	313	10	.	.	PUNCT
eurjchem-2551	314	1	[	[	X
eurjchem-2551	314	2	19	19	NUM
eurjchem-2551	314	3	]	]	PUNCT
eurjchem-2551	314	4	.	.	PUNCT
eurjchem-2551	315	1	farrugia	farrugia	PROPN
eurjchem-2551	315	2	,	,	PUNCT
eurjchem-2551	315	3	l.	l.	PROPN
eurjchem-2551	315	4	j.	j.	PROPN
eurjchem-2551	315	5	wingx	wingx	PROPN
eurjchem-2551	315	6	and	and	CCONJ
eurjchem-2551	315	7	ortep	ortep	NOUN
eurjchem-2551	315	8	for	for	ADP
eurjchem-2551	315	9	windows	window	NOUN
eurjchem-2551	315	10	:	:	PUNCT
eurjchem-2551	315	11	an	an	DET
eurjchem-2551	315	12	update	update	NOUN
eurjchem-2551	315	13	.	.	PUNCT
eurjchem-2551	316	1	j.	j.	PROPN
eurjchem-2551	316	2	appl	appl	PROPN
eurjchem-2551	316	3	.	.	PROPN
eurjchem-2551	316	4	crystallogr	crystallogr	PROPN
eurjchem-2551	316	5	.	.	PUNCT
eurjchem-2551	317	1	2012	2012	NUM
eurjchem-2551	317	2	,	,	PUNCT
eurjchem-2551	317	3	45	45	NUM
eurjchem-2551	317	4	,	,	PUNCT
eurjchem-2551	317	5	849–854	849–854	NUM
eurjchem-2551	317	6	.	.	PUNCT
eurjchem-2551	318	1	[	[	X
eurjchem-2551	318	2	20	20	NUM
eurjchem-2551	318	3	]	]	PUNCT
eurjchem-2551	318	4	.	.	PUNCT
eurjchem-2551	319	1	becke	becke	NOUN
eurjchem-2551	319	2	,	,	PUNCT
eurjchem-2551	319	3	a.	a.	PROPN
eurjchem-2551	319	4	d.	d.	PROPN
eurjchem-2551	319	5	density	density	PROPN
eurjchem-2551	319	6	-	-	PUNCT
eurjchem-2551	319	7	functional	functional	ADJ
eurjchem-2551	319	8	thermochemistry	thermochemistry	NOUN
eurjchem-2551	319	9	.	.	PUNCT
eurjchem-2551	320	1	iii	iii	X
eurjchem-2551	320	2	.	.	PUNCT
eurjchem-2551	321	1	the	the	DET
eurjchem-2551	321	2	role	role	NOUN
eurjchem-2551	321	3	of	of	ADP
eurjchem-2551	321	4	exact	exact	ADJ
eurjchem-2551	321	5	exchange	exchange	NOUN
eurjchem-2551	321	6	.	.	PUNCT
eurjchem-2551	322	1	j.	j.	PROPN
eurjchem-2551	322	2	chem	chem	PROPN
eurjchem-2551	322	3	.	.	PUNCT
eurjchem-2551	323	1	phys	phy	NOUN
eurjchem-2551	323	2	.	.	PUNCT
eurjchem-2551	324	1	1993	1993	NUM
eurjchem-2551	324	2	,	,	PUNCT
eurjchem-2551	324	3	98	98	NUM
eurjchem-2551	324	4	,	,	PUNCT
eurjchem-2551	324	5	5648–5652	5648–5652	NUM
eurjchem-2551	324	6	.	.	PUNCT
eurjchem-2551	325	1	[	[	X
eurjchem-2551	325	2	21	21	NUM
eurjchem-2551	325	3	]	]	PUNCT
eurjchem-2551	325	4	.	.	PUNCT
eurjchem-2551	326	1	lee	lee	PROPN
eurjchem-2551	326	2	,	,	PUNCT
eurjchem-2551	326	3	c.	c.	PROPN
eurjchem-2551	326	4	;	;	PUNCT
eurjchem-2551	326	5	yang	yang	PROPN
eurjchem-2551	326	6	,	,	PUNCT
eurjchem-2551	326	7	w.	w.	PROPN
eurjchem-2551	326	8	;	;	PUNCT
eurjchem-2551	326	9	parr	parr	PROPN
eurjchem-2551	326	10	,	,	PUNCT
eurjchem-2551	326	11	r.	r.	PROPN
eurjchem-2551	326	12	g.	g.	PROPN
eurjchem-2551	326	13	development	development	PROPN
eurjchem-2551	326	14	of	of	ADP
eurjchem-2551	326	15	the	the	DET
eurjchem-2551	326	16	colle	colle	NOUN
eurjchem-2551	326	17	-	-	PUNCT
eurjchem-2551	326	18	salvetti	salvetti	VERB
eurjchem-2551	326	19	correlation	correlation	NOUN
eurjchem-2551	326	20	-	-	PUNCT
eurjchem-2551	326	21	energy	energy	NOUN
eurjchem-2551	326	22	formula	formula	NOUN
eurjchem-2551	326	23	into	into	ADP
eurjchem-2551	326	24	a	a	DET
eurjchem-2551	326	25	functional	functional	NOUN
eurjchem-2551	326	26	of	of	ADP
eurjchem-2551	326	27	the	the	DET
eurjchem-2551	326	28	electron	electron	NOUN
eurjchem-2551	326	29	density	density	NOUN
eurjchem-2551	326	30	.	.	PUNCT
eurjchem-2551	327	1	phys	phy	NOUN
eurjchem-2551	327	2	.	.	PUNCT
eurjchem-2551	328	1	rev	rev	PROPN
eurjchem-2551	328	2	.	.	PROPN
eurjchem-2551	328	3	b	b	PROPN
eurjchem-2551	328	4	condens	conden	NOUN
eurjchem-2551	328	5	.	.	PUNCT
eurjchem-2551	329	1	matter	matter	PROPN
eurjchem-2551	329	2	1988	1988	NUM
eurjchem-2551	329	3	,	,	PUNCT
eurjchem-2551	329	4	37	37	NUM
eurjchem-2551	329	5	,	,	PUNCT
eurjchem-2551	329	6	785–789	785–789	NUM
eurjchem-2551	329	7	.	.	PUNCT
eurjchem-2551	330	1	[	[	X
eurjchem-2551	330	2	22	22	NUM
eurjchem-2551	330	3	]	]	PUNCT
eurjchem-2551	330	4	.	.	PUNCT
eurjchem-2551	331	1	ditchfield	ditchfield	PROPN
eurjchem-2551	331	2	,	,	PUNCT
eurjchem-2551	331	3	r.	r.	PROPN
eurjchem-2551	331	4	;	;	PUNCT
eurjchem-2551	331	5	hehre	hehre	PROPN
eurjchem-2551	331	6	,	,	PUNCT
eurjchem-2551	331	7	w.	w.	PROPN
eurjchem-2551	331	8	j.	j.	PROPN
eurjchem-2551	331	9	;	;	PUNCT
eurjchem-2551	331	10	pople	pople	PROPN
eurjchem-2551	331	11	,	,	PUNCT
eurjchem-2551	331	12	j.	j.	PROPN
eurjchem-2551	331	13	a.	a.	AUX
eurjchem-2551	331	14	self	self	NOUN
eurjchem-2551	331	15	-	-	PUNCT
eurjchem-2551	331	16	consistent	consistent	ADJ
eurjchem-2551	331	17	molecular	molecular	ADJ
eurjchem-2551	331	18	-	-	PUNCT
eurjchem-2551	331	19	orbital	orbital	ADJ
eurjchem-2551	331	20	methods	method	NOUN
eurjchem-2551	331	21	.	.	PUNCT
eurjchem-2551	332	1	ix	ix	INTJ
eurjchem-2551	332	2	.	.	PUNCT
eurjchem-2551	333	1	an	an	DET
eurjchem-2551	333	2	extended	extended	ADJ
eurjchem-2551	333	3	gaussian	gaussian	ADJ
eurjchem-2551	333	4	-	-	PUNCT
eurjchem-2551	333	5	type	type	NOUN
eurjchem-2551	333	6	basis	basis	NOUN
eurjchem-2551	333	7	for	for	ADP
eurjchem-2551	333	8	molecular	molecular	ADJ
eurjchem-2551	333	9	-	-	PUNCT
eurjchem-2551	333	10	orbital	orbital	ADJ
eurjchem-2551	333	11	studies	study	NOUN
eurjchem-2551	333	12	of	of	ADP
eurjchem-2551	333	13	organic	organic	ADJ
eurjchem-2551	333	14	molecules	molecule	NOUN
eurjchem-2551	333	15	.	.	PUNCT
eurjchem-2551	334	1	j.	j.	PROPN
eurjchem-2551	334	2	chem	chem	PROPN
eurjchem-2551	334	3	.	.	PUNCT
eurjchem-2551	335	1	phys	phy	NOUN
eurjchem-2551	335	2	.	.	PUNCT
eurjchem-2551	336	1	1971	1971	NUM
eurjchem-2551	336	2	,	,	PUNCT
eurjchem-2551	336	3	54	54	NUM
eurjchem-2551	336	4	,	,	PUNCT
eurjchem-2551	336	5	724–728	724–728	NUM
eurjchem-2551	336	6	.	.	PUNCT
eurjchem-2551	337	1	[	[	X
eurjchem-2551	337	2	23	23	NUM
eurjchem-2551	337	3	]	]	PUNCT
eurjchem-2551	337	4	.	.	PUNCT
eurjchem-2551	337	5	frisch	frisch	PROPN
eurjchem-2551	337	6	,	,	PUNCT
eurjchem-2551	337	7	m.	m.	NOUN
eurjchem-2551	337	8	j.	j.	PROPN
eurjchem-2551	337	9	;	;	PUNCT
eurjchem-2551	337	10	trucks	truck	NOUN
eurjchem-2551	337	11	,	,	PUNCT
eurjchem-2551	337	12	g.	g.	PROPN
eurjchem-2551	337	13	w.	w.	PROPN
eurjchem-2551	337	14	;	;	PUNCT
eurjchem-2551	337	15	schlegel	schlegel	PROPN
eurjchem-2551	337	16	,	,	PUNCT
eurjchem-2551	337	17	h.	h.	PROPN
eurjchem-2551	337	18	b.	b.	PROPN
eurjchem-2551	337	19	;	;	PUNCT
eurjchem-2551	337	20	scuseria	scuseria	PROPN
eurjchem-2551	337	21	,	,	PUNCT
eurjchem-2551	337	22	g.	g.	PROPN
eurjchem-2551	337	23	e.	e.	PROPN
eurjchem-2551	337	24	;	;	PUNCT
eurjchem-2551	337	25	robb	robb	NOUN
eurjchem-2551	337	26	,	,	PUNCT
eurjchem-2551	337	27	m.	m.	NOUN
eurjchem-2551	337	28	a.	a.	PROPN
eurjchem-2551	337	29	;	;	PUNCT
eurjchem-2551	337	30	cheeseman	cheeseman	PROPN
eurjchem-2551	337	31	,	,	PUNCT
eurjchem-2551	337	32	j.	j.	PROPN
eurjchem-2551	337	33	r.	r.	PROPN
eurjchem-2551	337	34	;	;	PUNCT
eurjchem-2551	337	35	montgomery	montgomery	PROPN
eurjchem-2551	337	36	,	,	PUNCT
eurjchem-2551	337	37	j.	j.	PROPN
eurjchem-2551	337	38	a.	a.	PROPN
eurjchem-2551	337	39	;	;	PUNCT
eurjchem-2551	337	40	vreven	vreven	VERB
eurjchem-2551	337	41	,	,	PUNCT
eurjchem-2551	337	42	t.	t.	PROPN
eurjchem-2551	337	43	;	;	PUNCT
eurjchem-2551	337	44	kudin	kudin	PROPN
eurjchem-2551	337	45	,	,	PUNCT
eurjchem-2551	337	46	k.	k.	PROPN
eurjchem-2551	337	47	n.	n.	PROPN
eurjchem-2551	337	48	;	;	PUNCT
eurjchem-2551	337	49	burant	burant	PROPN
eurjchem-2551	337	50	,	,	PUNCT
eurjchem-2551	337	51	j.	j.	PROPN
eurjchem-2551	337	52	c.	c.	PROPN
eurjchem-2551	337	53	;	;	PUNCT
eurjchem-2551	337	54	millam	millam	PROPN
eurjchem-2551	337	55	,	,	PUNCT
eurjchem-2551	337	56	j.	j.	PROPN
eurjchem-2551	337	57	m.	m.	PROPN
eurjchem-2551	337	58	;	;	PUNCT
eurjchem-2551	337	59	iyengar	iyengar	PROPN
eurjchem-2551	337	60	,	,	PUNCT
eurjchem-2551	337	61	s.	s.	PROPN
eurjchem-2551	337	62	s.	s.	PROPN
eurjchem-2551	337	63	;	;	PUNCT
eurjchem-2551	337	64	tomasi	tomasi	PROPN
eurjchem-2551	337	65	,	,	PUNCT
eurjchem-2551	337	66	j.	j.	PROPN
eurjchem-2551	337	67	;	;	PUNCT
eurjchem-2551	337	68	barone	barone	PROPN
eurjchem-2551	337	69	,	,	PUNCT
eurjchem-2551	337	70	v.	v.	PROPN
eurjchem-2551	337	71	;	;	PUNCT
eurjchem-2551	337	72	mennucci	mennucci	PROPN
eurjchem-2551	337	73	,	,	PUNCT
eurjchem-2551	337	74	b.	b.	PROPN
eurjchem-2551	337	75	;	;	PUNCT
eurjchem-2551	337	76	cossi	cossi	PROPN
eurjchem-2551	337	77	,	,	PUNCT
eurjchem-2551	337	78	m.	m.	NOUN
eurjchem-2551	337	79	;	;	PUNCT
eurjchem-2551	337	80	scalmani	scalmani	PROPN
eurjchem-2551	337	81	,	,	PUNCT
eurjchem-2551	337	82	g.	g.	PROPN
eurjchem-2551	337	83	;	;	PUNCT
eurjchem-2551	337	84	rega	rega	PROPN
eurjchem-2551	337	85	,	,	PUNCT
eurjchem-2551	337	86	n.	n.	NOUN
eurjchem-2551	337	87	;	;	PUNCT
eurjchem-2551	337	88	petersson	petersson	PROPN
eurjchem-2551	337	89	,	,	PUNCT
eurjchem-2551	337	90	g.	g.	PROPN
eurjchem-2551	337	91	a.	a.	PROPN
eurjchem-2551	337	92	;	;	PUNCT
eurjchem-2551	337	93	nakatsuji	nakatsuji	PROPN
eurjchem-2551	337	94	,	,	PUNCT
eurjchem-2551	337	95	h.	h.	PROPN
eurjchem-2551	337	96	;	;	PUNCT
eurjchem-2551	337	97	hada	hada	PROPN
eurjchem-2551	337	98	,	,	PUNCT
eurjchem-2551	337	99	m.	m.	NOUN
eurjchem-2551	337	100	;	;	PUNCT
eurjchem-2551	337	101	ehara	ehara	PROPN
eurjchem-2551	337	102	,	,	PUNCT
eurjchem-2551	337	103	m.	m.	NOUN
eurjchem-2551	337	104	;	;	PUNCT
eurjchem-2551	337	105	toyota	toyota	PROPN
eurjchem-2551	337	106	,	,	PUNCT
eurjchem-2551	337	107	k.	k.	PROPN
eurjchem-2551	337	108	;	;	PUNCT
eurjchem-2551	337	109	fukuda	fukuda	PROPN
eurjchem-2551	337	110	,	,	PUNCT
eurjchem-2551	337	111	r.	r.	PROPN
eurjchem-2551	337	112	;	;	PUNCT
eurjchem-2551	337	113	hasegawa	hasegawa	PROPN
eurjchem-2551	337	114	,	,	PUNCT
eurjchem-2551	337	115	j.	j.	PROPN
eurjchem-2551	337	116	;	;	PUNCT
eurjchem-2551	337	117	ishida	ishida	PROPN
eurjchem-2551	337	118	,	,	PUNCT
eurjchem-2551	337	119	m.	m.	NOUN
eurjchem-2551	337	120	;	;	PUNCT
eurjchem-2551	337	121	nakajima	nakajima	PROPN
eurjchem-2551	337	122	,	,	PUNCT
eurjchem-2551	337	123	t.	t.	PROPN
eurjchem-2551	337	124	;	;	PUNCT
eurjchem-2551	337	125	honda	honda	NOUN
eurjchem-2551	337	126	,	,	PUNCT
eurjchem-2551	337	127	y.	y.	PROPN
eurjchem-2551	337	128	;	;	PUNCT
eurjchem-2551	337	129	kitao	kitao	PROPN
eurjchem-2551	337	130	,	,	PUNCT
eurjchem-2551	337	131	o.	o.	PROPN
eurjchem-2551	337	132	;	;	PUNCT
eurjchem-2551	337	133	nakai	nakai	PROPN
eurjchem-2551	337	134	,	,	PUNCT
eurjchem-2551	337	135	h.	h.	PROPN
eurjchem-2551	337	136	;	;	PUNCT
eurjchem-2551	337	137	klene	klene	PROPN
eurjchem-2551	337	138	,	,	PUNCT
eurjchem-2551	337	139	m.	m.	NOUN
eurjchem-2551	337	140	;	;	PUNCT
eurjchem-2551	337	141	li	li	PROPN
eurjchem-2551	337	142	,	,	PUNCT
eurjchem-2551	337	143	x.	x.	PROPN
eurjchem-2551	337	144	;	;	PUNCT
eurjchem-2551	337	145	knox	knox	PROPN
eurjchem-2551	337	146	,	,	PUNCT
eurjchem-2551	337	147	j.	j.	PROPN
eurjchem-2551	337	148	e.	e.	PROPN
eurjchem-2551	337	149	;	;	PUNCT
eurjchem-2551	337	150	hratchian	hratchian	PROPN
eurjchem-2551	337	151	,	,	PUNCT
eurjchem-2551	337	152	h.	h.	PROPN
eurjchem-2551	337	153	p.	p.	PROPN
eurjchem-2551	337	154	;	;	PUNCT
eurjchem-2551	337	155	cross	cross	PROPN
eurjchem-2551	337	156	,	,	PUNCT
eurjchem-2551	337	157	j.	j.	PROPN
eurjchem-2551	337	158	b.	b.	PROPN
eurjchem-2551	337	159	;	;	PUNCT
eurjchem-2551	337	160	adamo	adamo	PROPN
eurjchem-2551	337	161	,	,	PUNCT
eurjchem-2551	337	162	c.	c.	PROPN
eurjchem-2551	337	163	;	;	PUNCT
eurjchem-2551	337	164	jaramillo	jaramillo	PROPN
eurjchem-2551	337	165	,	,	PUNCT
eurjchem-2551	337	166	j.	j.	PROPN
eurjchem-2551	337	167	;	;	PUNCT
eurjchem-2551	337	168	gomperts	gomperts	PROPN
eurjchem-2551	337	169	,	,	PUNCT
eurjchem-2551	337	170	r.	r.	PROPN
eurjchem-2551	337	171	;	;	PUNCT
eurjchem-2551	337	172	stratmann	stratmann	PROPN
eurjchem-2551	337	173	,	,	PUNCT
eurjchem-2551	337	174	r.	r.	PROPN
eurjchem-2551	337	175	e.	e.	PROPN
eurjchem-2551	337	176	;	;	PUNCT
eurjchem-2551	337	177	yazyev	yazyev	PROPN
eurjchem-2551	337	178	,	,	PUNCT
eurjchem-2551	337	179	o.	o.	PROPN
eurjchem-2551	337	180	;	;	PUNCT
eurjchem-2551	337	181	austin	austin	PROPN
eurjchem-2551	337	182	,	,	PUNCT
eurjchem-2551	337	183	a.	a.	PROPN
eurjchem-2551	337	184	j.	j.	PROPN
eurjchem-2551	337	185	;	;	PUNCT
eurjchem-2551	337	186	cammi	cammi	PROPN
eurjchem-2551	337	187	,	,	PUNCT
eurjchem-2551	337	188	r.	r.	PROPN
eurjchem-2551	337	189	;	;	PUNCT
eurjchem-2551	337	190	pomelli	pomelli	PROPN
eurjchem-2551	337	191	,	,	PUNCT
eurjchem-2551	337	192	c.	c.	NOUN
eurjchem-2551	337	193	;	;	PUNCT
eurjchem-2551	337	194	ochterski	ochterski	PROPN
eurjchem-2551	337	195	,	,	PUNCT
eurjchem-2551	337	196	j.	j.	PROPN
eurjchem-2551	337	197	w.	w.	PROPN
eurjchem-2551	337	198	;	;	PUNCT
eurjchem-2551	337	199	ayala	ayala	PROPN
eurjchem-2551	337	200	,	,	PUNCT
eurjchem-2551	337	201	p.	p.	PROPN
eurjchem-2551	337	202	y.	y.	PROPN
eurjchem-2551	337	203	;	;	PUNCT
eurjchem-2551	337	204	morokuma	morokuma	PROPN
eurjchem-2551	337	205	,	,	PUNCT
eurjchem-2551	337	206	k.	k.	PROPN
eurjchem-2551	337	207	;	;	PUNCT
eurjchem-2551	337	208	voth	voth	PROPN
eurjchem-2551	337	209	,	,	PUNCT
eurjchem-2551	337	210	g.	g.	PROPN
eurjchem-2551	337	211	a.	a.	PROPN
eurjchem-2551	337	212	;	;	PUNCT
eurjchem-2551	337	213	salvador	salvador	PROPN
eurjchem-2551	337	214	,	,	PUNCT
eurjchem-2551	337	215	p.	p.	PROPN
eurjchem-2551	337	216	;	;	PUNCT
eurjchem-2551	337	217	dannenberg	dannenberg	PROPN
eurjchem-2551	337	218	,	,	PUNCT
eurjchem-2551	337	219	j.	j.	PROPN
eurjchem-2551	337	220	j.	j.	PROPN
eurjchem-2551	337	221	;	;	PUNCT
eurjchem-2551	337	222	zakrzewski	zakrzewski	PROPN
eurjchem-2551	337	223	,	,	PUNCT
eurjchem-2551	337	224	v.	v.	PROPN
eurjchem-2551	337	225	g.	g.	PROPN
eurjchem-2551	337	226	;	;	PUNCT
eurjchem-2551	337	227	dapprich	dapprich	PROPN
eurjchem-2551	337	228	,	,	PUNCT
eurjchem-2551	337	229	s.	s.	PROPN
eurjchem-2551	337	230	;	;	PUNCT
eurjchem-2551	337	231	daniels	daniels	PROPN
eurjchem-2551	337	232	,	,	PUNCT
eurjchem-2551	337	233	a.	a.	PROPN
eurjchem-2551	337	234	d.	d.	PROPN
eurjchem-2551	337	235	;	;	PUNCT
eurjchem-2551	337	236	strain	strain	NOUN
eurjchem-2551	337	237	,	,	PUNCT
eurjchem-2551	337	238	m.	m.	NOUN
eurjchem-2551	337	239	c.	c.	PROPN
eurjchem-2551	337	240	;	;	PUNCT
eurjchem-2551	337	241	farkas	farkas	PROPN
eurjchem-2551	337	242	,	,	PUNCT
eurjchem-2551	337	243	o.	o.	PROPN
eurjchem-2551	337	244	;	;	PUNCT
eurjchem-2551	337	245	malick	malick	PROPN
eurjchem-2551	337	246	,	,	PUNCT
eurjchem-2551	337	247	d.	d.	PROPN
eurjchem-2551	337	248	k.	k.	PROPN
eurjchem-2551	337	249	;	;	PUNCT
eurjchem-2551	337	250	rabuck	rabuck	VERB
eurjchem-2551	337	251	,	,	PUNCT
eurjchem-2551	337	252	a.	a.	PROPN
eurjchem-2551	337	253	d.	d.	PROPN
eurjchem-2551	337	254	;	;	PUNCT
eurjchem-2551	337	255	raghavachari	raghavachari	PROPN
eurjchem-2551	337	256	,	,	PUNCT
eurjchem-2551	337	257	k	k	PROPN
eurjchem-2551	337	258	;	;	PUNCT
eurjchem-2551	337	259	foresman	foresman	PROPN
eurjchem-2551	337	260	,	,	PUNCT
eurjchem-2551	337	261	j.	j.	PROPN
eurjchem-2551	337	262	b.	b.	PROPN
eurjchem-2551	337	263	;	;	PUNCT
eurjchem-2551	337	264	ortiz	ortiz	PROPN
eurjchem-2551	337	265	,	,	PUNCT
eurjchem-2551	337	266	j.	j.	PROPN
eurjchem-2551	337	267	v.	v.	PROPN
eurjchem-2551	337	268	;	;	PUNCT
eurjchem-2551	337	269	cui	cui	PROPN
eurjchem-2551	337	270	,	,	PUNCT
eurjchem-2551	337	271	q.	q.	PROPN
eurjchem-2551	337	272	;	;	PUNCT
eurjchem-2551	337	273	baboul	baboul	ADJ
eurjchem-2551	337	274	,	,	PUNCT
eurjchem-2551	337	275	a.	a.	NOUN
eurjchem-2551	337	276	g.	g.	PROPN
eurjchem-2551	337	277	;	;	PUNCT
eurjchem-2551	337	278	clifford	clifford	PROPN
eurjchem-2551	337	279	,	,	PUNCT
eurjchem-2551	337	280	s.	s.	PROPN
eurjchem-2551	337	281	;	;	PUNCT
eurjchem-2551	337	282	cioslowski	cioslowski	PROPN
eurjchem-2551	337	283	,	,	PUNCT
eurjchem-2551	337	284	j.	j.	PROPN
eurjchem-2551	337	285	;	;	PUNCT
eurjchem-2551	337	286	stefanov	stefanov	PROPN
eurjchem-2551	337	287	,	,	PUNCT
eurjchem-2551	337	288	b.	b.	PROPN
eurjchem-2551	337	289	b.	b.	PROPN
eurjchem-2551	337	290	;	;	PUNCT
eurjchem-2551	337	291	liu	liu	PROPN
eurjchem-2551	337	292	,	,	PUNCT
eurjchem-2551	337	293	g.	g.	PROPN
eurjchem-2551	337	294	;	;	PUNCT
eurjchem-2551	337	295	liashenko	liashenko	PROPN
eurjchem-2551	337	296	,	,	PUNCT
eurjchem-2551	337	297	a.	a.	NOUN
eurjchem-2551	337	298	;	;	PUNCT
eurjchem-2551	337	299	piskorz	piskorz	PROPN
eurjchem-2551	337	300	,	,	PUNCT
eurjchem-2551	337	301	p.	p.	NOUN
eurjchem-2551	337	302	;	;	PUNCT
eurjchem-2551	337	303	komaromi	komaromi	NOUN
eurjchem-2551	337	304	,	,	PUNCT
eurjchem-2551	337	305	i.	i.	NOUN
eurjchem-2551	337	306	;	;	PUNCT
eurjchem-2551	337	307	martin	martin	PROPN
eurjchem-2551	337	308	,	,	PUNCT
eurjchem-2551	337	309	r.	r.	PROPN
eurjchem-2551	337	310	l.	l.	PROPN
eurjchem-2551	337	311	;	;	PUNCT
eurjchem-2551	337	312	fox	fox	PROPN
eurjchem-2551	337	313	,	,	PUNCT
eurjchem-2551	337	314	d.	d.	PROPN
eurjchem-2551	337	315	j.	j.	PROPN
eurjchem-2551	337	316	;	;	PUNCT
eurjchem-2551	337	317	keith	keith	PROPN
eurjchem-2551	337	318	,	,	PUNCT
eurjchem-2551	337	319	t.	t.	PROPN
eurjchem-2551	337	320	;	;	PUNCT
eurjchem-2551	337	321	al	al	PROPN
eurjchem-2551	337	322	-	-	PUNCT
eurjchem-2551	337	323	laham	laham	PROPN
eurjchem-2551	337	324	,	,	PUNCT
eurjchem-2551	337	325	m.	m.	NOUN
eurjchem-2551	337	326	a.	a.	PROPN
eurjchem-2551	337	327	;	;	PUNCT
eurjchem-2551	337	328	peng	peng	PROPN
eurjchem-2551	337	329	,	,	PUNCT
eurjchem-2551	337	330	c.	c.	PROPN
eurjchem-2551	337	331	y.	y.	PROPN
eurjchem-2551	337	332	;	;	PUNCT
eurjchem-2551	337	333	nanayakkara	nanayakkara	PROPN
eurjchem-2551	337	334	,	,	PUNCT
eurjchem-2551	337	335	a.	a.	NOUN
eurjchem-2551	337	336	;	;	PUNCT
eurjchem-2551	337	337	challacombe	challacombe	ADJ
eurjchem-2551	337	338	,	,	PUNCT
eurjchem-2551	337	339	m.	m.	NOUN
eurjchem-2551	337	340	;	;	PUNCT
eurjchem-2551	337	341	gill	gill	PROPN
eurjchem-2551	337	342	,	,	PUNCT
eurjchem-2551	337	343	p.	p.	PROPN
eurjchem-2551	337	344	m.	m.	PROPN
eurjchem-2551	337	345	w.	w.	PROPN
eurjchem-2551	337	346	;	;	PUNCT
eurjchem-2551	337	347	johnson	johnson	PROPN
eurjchem-2551	337	348	,	,	PUNCT
eurjchem-2551	337	349	b.	b.	PROPN
eurjchem-2551	337	350	;	;	PUNCT
eurjchem-2551	337	351	chen	chen	PROPN
eurjchem-2551	337	352	,	,	PUNCT
eurjchem-2551	337	353	w.	w.	PROPN
eurjchem-2551	337	354	;	;	PUNCT
eurjchem-2551	337	355	http://www.ccdc.cam.ac.uk/data_request/cif	http://www.ccdc.cam.ac.uk/data_request/cif	X
eurjchem-2551	337	356	mailto:data_request@ccdc.cam.ac.uk	mailto:data_request@ccdc.cam.ac.uk	NOUN
eurjchem-2551	337	357	mailto:burcu.arslan@giresun.edu.tr	mailto:burcu.arslan@giresun.edu.tr	PROPN
eurjchem-2551	337	358	https://orcid.org/0000-0002-1880-1047	https://orcid.org/0000-0002-1880-1047	NOUN
eurjchem-2551	337	359	mailto:faydin@comu.edu.tr	mailto:faydin@comu.edu.tr	PROPN
eurjchem-2551	337	360	https://orcid.org/0000-0002-7219-6407	https://orcid.org/0000-0002-7219-6407	PROPN
eurjchem-2551	337	361	arslan	arslan	PROPN
eurjchem-2551	337	362	and	and	CCONJ
eurjchem-2551	337	363	aydin	aydin	PROPN
eurjchem-2551	337	364	/	/	SYM
eurjchem-2551	337	365	european	european	ADJ
eurjchem-2551	337	366	journal	journal	PROPN
eurjchem-2551	337	367	of	of	ADP
eurjchem-2551	337	368	chemistry	chemistry	NOUN
eurjchem-2551	337	369	15	15	NUM
eurjchem-2551	337	370	(	(	PUNCT
eurjchem-2551	337	371	2	2	NUM
eurjchem-2551	337	372	)	)	PUNCT
eurjchem-2551	337	373	(	(	PUNCT
eurjchem-2551	337	374	2024	2024	NUM
eurjchem-2551	337	375	)	)	PUNCT
eurjchem-2551	337	376	155	155	NUM
eurjchem-2551	337	377	-	-	SYM
eurjchem-2551	337	378	165	165	NUM
eurjchem-2551	337	379	165	165	NUM
eurjchem-2551	337	380	2024	2024	NUM
eurjchem-2551	337	381	–	–	PUNCT
eurjchem-2551	337	382	european	european	ADJ
eurjchem-2551	337	383	journal	journal	NOUN
eurjchem-2551	337	384	of	of	ADP
eurjchem-2551	337	385	chemistry	chemistry	NOUN
eurjchem-2551	337	386	–	–	PUNCT
eurjchem-2551	337	387	cc	cc	NOUN
eurjchem-2551	337	388	by	by	ADP
eurjchem-2551	337	389	nc	nc	PROPN
eurjchem-2551	337	390	–	–	PUNCT
eurjchem-2551	337	391	doi	doi	PROPN
eurjchem-2551	337	392	:	:	PUNCT
eurjchem-2551	337	393	10.5155	10.5155	NUM
eurjchem-2551	337	394	/	/	SYM
eurjchem-2551	337	395	eurjchem.15.2.155	eurjchem.15.2.155	NOUN
eurjchem-2551	337	396	-	-	SYM
eurjchem-2551	337	397	165.2551	165.2551	NUM
eurjchem-2551	337	398	wong	wong	PROPN
eurjchem-2551	337	399	,	,	PUNCT
eurjchem-2551	337	400	m.	m.	PROPN
eurjchem-2551	337	401	w.	w.	PROPN
eurjchem-2551	337	402	;	;	PUNCT
eurjchem-2551	337	403	gonzalez	gonzalez	PROPN
eurjchem-2551	337	404	,	,	PUNCT
eurjchem-2551	337	405	c.	c.	PROPN
eurjchem-2551	337	406	;	;	PUNCT
eurjchem-2551	337	407	pople	pople	PROPN
eurjchem-2551	337	408	,	,	PUNCT
eurjchem-2551	337	409	j.	j.	PROPN
eurjchem-2551	337	410	a.	a.	PROPN
eurjchem-2551	337	411	gaussian09	gaussian09	PROPN
eurjchem-2551	337	412	,	,	PUNCT
eurjchem-2551	337	413	gaussian	gaussian	PROPN
eurjchem-2551	337	414	,	,	PUNCT
eurjchem-2551	337	415	inc	inc	PROPN
eurjchem-2551	337	416	.	.	PROPN
eurjchem-2551	337	417	,	,	PUNCT
eurjchem-2551	337	418	wallingford	wallingford	PROPN
eurjchem-2551	337	419	ct	ct	PROPN
eurjchem-2551	337	420	,	,	PUNCT
eurjchem-2551	337	421	2009	2009	NUM
eurjchem-2551	337	422	.	.	PUNCT
eurjchem-2551	338	1	[	[	X
eurjchem-2551	338	2	24	24	NUM
eurjchem-2551	338	3	]	]	PUNCT
eurjchem-2551	338	4	.	.	PUNCT
eurjchem-2551	339	1	molecular	molecular	ADJ
eurjchem-2551	339	2	electrostatic	electrostatic	ADJ
eurjchem-2551	339	3	potentials	potential	NOUN
eurjchem-2551	339	4	:	:	PUNCT
eurjchem-2551	339	5	volume	volume	NOUN
eurjchem-2551	339	6	3	3	NUM
eurjchem-2551	339	7	:	:	PUNCT
eurjchem-2551	339	8	concepts	concept	NOUN
eurjchem-2551	339	9	and	and	CCONJ
eurjchem-2551	339	10	applications	application	NOUN
eurjchem-2551	339	11	;	;	PUNCT
eurjchem-2551	339	12	murray	murray	PROPN
eurjchem-2551	339	13	,	,	PUNCT
eurjchem-2551	339	14	j.	j.	PROPN
eurjchem-2551	339	15	s.	s.	PROPN
eurjchem-2551	339	16	;	;	PUNCT
eurjchem-2551	339	17	sen	sen	PROPN
eurjchem-2551	339	18	,	,	PUNCT
eurjchem-2551	339	19	k.	k.	PROPN
eurjchem-2551	339	20	,	,	PUNCT
eurjchem-2551	339	21	eds	eds	PROPN
eurjchem-2551	339	22	.	.	PUNCT
eurjchem-2551	339	23	;	;	PUNCT
eurjchem-2551	339	24	elsevier	elsevier	PROPN
eurjchem-2551	339	25	science	science	PROPN
eurjchem-2551	339	26	:	:	PUNCT
eurjchem-2551	339	27	london	london	PROPN
eurjchem-2551	339	28	,	,	PUNCT
eurjchem-2551	339	29	england	england	PROPN
eurjchem-2551	339	30	,	,	PUNCT
eurjchem-2551	339	31	isbn	isbn	ADJ
eurjchem-2551	339	32	:	:	PUNCT
eurjchem-2551	339	33	978	978	NUM
eurjchem-2551	339	34	-	-	SYM
eurjchem-2551	339	35	0	0	NUM
eurjchem-2551	339	36	-	-	PUNCT
eurjchem-2551	339	37	444	444	NUM
eurjchem-2551	339	38	-	-	PUNCT
eurjchem-2551	339	39	82353	82353	NUM
eurjchem-2551	339	40	-	-	SYM
eurjchem-2551	339	41	3	3	NUM
eurjchem-2551	339	42	,	,	PUNCT
eurjchem-2551	339	43	1996	1996	NUM
eurjchem-2551	339	44	.	.	PUNCT
eurjchem-2551	340	1	[	[	X
eurjchem-2551	340	2	25	25	NUM
eurjchem-2551	340	3	]	]	PUNCT
eurjchem-2551	340	4	.	.	PUNCT
eurjchem-2551	341	1	andersson	andersson	PROPN
eurjchem-2551	341	2	,	,	PUNCT
eurjchem-2551	341	3	m.	m.	NOUN
eurjchem-2551	341	4	p.	p.	NOUN
eurjchem-2551	341	5	;	;	PUNCT
eurjchem-2551	341	6	uvdal	uvdal	NOUN
eurjchem-2551	341	7	,	,	PUNCT
eurjchem-2551	341	8	p.	p.	NOUN
eurjchem-2551	341	9	new	new	ADJ
eurjchem-2551	341	10	scale	scale	NOUN
eurjchem-2551	341	11	factors	factor	NOUN
eurjchem-2551	341	12	for	for	ADP
eurjchem-2551	341	13	harmonic	harmonic	ADJ
eurjchem-2551	341	14	vibrational	vibrational	ADJ
eurjchem-2551	341	15	frequencies	frequency	NOUN
eurjchem-2551	341	16	using	use	VERB
eurjchem-2551	341	17	the	the	DET
eurjchem-2551	341	18	b3lyp	b3lyp	NOUN
eurjchem-2551	341	19	density	density	NOUN
eurjchem-2551	341	20	functional	functional	ADJ
eurjchem-2551	341	21	method	method	NOUN
eurjchem-2551	341	22	with	with	ADP
eurjchem-2551	341	23	the	the	DET
eurjchem-2551	341	24	triple	triple	ADJ
eurjchem-2551	341	25	-	-	PUNCT
eurjchem-2551	341	26	ζ	ζ	NOUN
eurjchem-2551	341	27	basis	basis	NOUN
eurjchem-2551	341	28	set	set	VERB
eurjchem-2551	341	29	6	6	NUM
eurjchem-2551	341	30	-	-	SYM
eurjchem-2551	341	31	311+g(d	311+g(d	NOUN
eurjchem-2551	341	32	,	,	PUNCT
eurjchem-2551	341	33	p	p	NOUN
eurjchem-2551	341	34	)	)	PUNCT
eurjchem-2551	341	35	.	.	PUNCT
eurjchem-2551	342	1	j.	j.	PROPN
eurjchem-2551	342	2	phys	phys	PROPN
eurjchem-2551	342	3	.	.	PUNCT
eurjchem-2551	343	1	chem	chem	PROPN
eurjchem-2551	343	2	.	.	PUNCT
eurjchem-2551	344	1	a	a	DET
eurjchem-2551	344	2	2005	2005	NUM
eurjchem-2551	344	3	,	,	PUNCT
eurjchem-2551	344	4	109	109	NUM
eurjchem-2551	344	5	,	,	PUNCT
eurjchem-2551	344	6	2937–2941	2937–2941	NUM
eurjchem-2551	344	7	.	.	PUNCT
eurjchem-2551	345	1	[	[	X
eurjchem-2551	345	2	26	26	NUM
eurjchem-2551	345	3	]	]	PUNCT
eurjchem-2551	345	4	.	.	PUNCT
eurjchem-2551	346	1	dennington	dennington	PROPN
eurjchem-2551	346	2	,	,	PUNCT
eurjchem-2551	346	3	r.	r.	PROPN
eurjchem-2551	346	4	;	;	PUNCT
eurjchem-2551	346	5	keith	keith	PROPN
eurjchem-2551	346	6	,	,	PUNCT
eurjchem-2551	346	7	t.	t.	PROPN
eurjchem-2551	346	8	a.	a.	NOUN
eurjchem-2551	346	9	;	;	PUNCT
eurjchem-2551	346	10	millam	millam	PROPN
eurjchem-2551	346	11	,	,	PUNCT
eurjchem-2551	346	12	j.	j.	PROPN
eurjchem-2551	346	13	m.	m.	PROPN
eurjchem-2551	346	14	gaussview	gaussview	PROPN
eurjchem-2551	346	15	,	,	PUNCT
eurjchem-2551	346	16	version	version	NOUN
eurjchem-2551	346	17	5	5	NUM
eurjchem-2551	346	18	,	,	PUNCT
eurjchem-2551	346	19	semichem	semichem	PROPN
eurjchem-2551	346	20	inc	inc	PROPN
eurjchem-2551	346	21	.	.	PROPN
eurjchem-2551	346	22	;	;	PUNCT
eurjchem-2551	346	23	shawnee	shawnee	NOUN
eurjchem-2551	346	24	mission	mission	NOUN
eurjchem-2551	346	25	,	,	PUNCT
eurjchem-2551	346	26	ks	ks	NOUN
eurjchem-2551	346	27	,	,	PUNCT
eurjchem-2551	346	28	2009	2009	NUM
eurjchem-2551	346	29	.	.	PUNCT
eurjchem-2551	347	1	[	[	X
eurjchem-2551	347	2	27	27	NUM
eurjchem-2551	347	3	]	]	PUNCT
eurjchem-2551	347	4	.	.	PUNCT
eurjchem-2551	348	1	threlfall	threlfall	PROPN
eurjchem-2551	348	2	,	,	PUNCT
eurjchem-2551	348	3	t.	t.	PROPN
eurjchem-2551	348	4	the	the	DET
eurjchem-2551	348	5	infrared	infrared	ADJ
eurjchem-2551	348	6	spectra	spectra	NOUN
eurjchem-2551	348	7	of	of	ADP
eurjchem-2551	348	8	amides	amide	NOUN
eurjchem-2551	348	9	.	.	PUNCT
eurjchem-2551	349	1	part	part	NOUN
eurjchem-2551	349	2	1	1	NUM
eurjchem-2551	349	3	.	.	PUNCT
eurjchem-2551	350	1	the	the	DET
eurjchem-2551	350	2	stretching	stretch	VERB
eurjchem-2551	350	3	vibrations	vibration	NOUN
eurjchem-2551	350	4	of	of	ADP
eurjchem-2551	350	5	primary	primary	ADJ
eurjchem-2551	350	6	carboxamides	carboxamide	NOUN
eurjchem-2551	350	7	.	.	PUNCT
eurjchem-2551	351	1	vib	vib	PROPN
eurjchem-2551	351	2	.	.	PROPN
eurjchem-2551	351	3	spectrosc	spectrosc	PROPN
eurjchem-2551	351	4	.	.	PUNCT
eurjchem-2551	352	1	2022	2022	NUM
eurjchem-2551	352	2	,	,	PUNCT
eurjchem-2551	352	3	121	121	NUM
eurjchem-2551	352	4	,	,	PUNCT
eurjchem-2551	352	5	103386	103386	NUM
eurjchem-2551	352	6	.	.	PUNCT
eurjchem-2551	353	1	[	[	X
eurjchem-2551	353	2	28	28	NUM
eurjchem-2551	353	3	]	]	PUNCT
eurjchem-2551	353	4	.	.	PUNCT
eurjchem-2551	354	1	larkin	larkin	PROPN
eurjchem-2551	354	2	,	,	PUNCT
eurjchem-2551	354	3	p.	p.	PROPN
eurjchem-2551	354	4	infrared	infrared	PROPN
eurjchem-2551	354	5	and	and	CCONJ
eurjchem-2551	354	6	raman	raman	NOUN
eurjchem-2551	354	7	spectroscopy	spectroscopy	NOUN
eurjchem-2551	354	8	:	:	PUNCT
eurjchem-2551	354	9	principles	principle	NOUN
eurjchem-2551	354	10	and	and	CCONJ
eurjchem-2551	354	11	spectral	spectral	ADJ
eurjchem-2551	354	12	interpretation	interpretation	NOUN
eurjchem-2551	354	13	;	;	PUNCT
eurjchem-2551	354	14	elsevier	elsevier	PROPN
eurjchem-2551	354	15	science	science	PROPN
eurjchem-2551	354	16	publishing	publishing	PROPN
eurjchem-2551	354	17	:	:	PUNCT
eurjchem-2551	354	18	philadelphia	philadelphia	PROPN
eurjchem-2551	354	19	,	,	PUNCT
eurjchem-2551	354	20	pa	pa	PROPN
eurjchem-2551	354	21	,	,	PUNCT
eurjchem-2551	354	22	2018	2018	NUM
eurjchem-2551	354	23	.	.	PUNCT
eurjchem-2551	355	1	[	[	X
eurjchem-2551	355	2	29	29	NUM
eurjchem-2551	355	3	]	]	PUNCT
eurjchem-2551	355	4	.	.	PUNCT
eurjchem-2551	356	1	hassan	hassan	PROPN
eurjchem-2551	356	2	,	,	PUNCT
eurjchem-2551	356	3	i.	i.	PROPN
eurjchem-2551	356	4	n.	n.	PROPN
eurjchem-2551	356	5	synthesis	synthesis	PROPN
eurjchem-2551	356	6	,	,	PUNCT
eurjchem-2551	356	7	spectral	spectral	ADJ
eurjchem-2551	356	8	characterization	characterization	NOUN
eurjchem-2551	356	9	and	and	CCONJ
eurjchem-2551	356	10	crystal	crystal	NOUN
eurjchem-2551	356	11	structural	structural	NOUN
eurjchem-2551	356	12	of	of	ADP
eurjchem-2551	356	13	1-(2	1-(2	PROPN
eurjchem-2551	356	14	-	-	PUNCT
eurjchem-2551	356	15	morpholinoethyl)-3-(3	morpholinoethyl)-3-(3	NOUN
eurjchem-2551	356	16	-	-	PUNCT
eurjchem-2551	356	17	phenylacryloyl)thiourea	phenylacryloyl)thiourea	NOUN
eurjchem-2551	356	18	.	.	PUNCT
eurjchem-2551	357	1	int	int	NOUN
eurjchem-2551	357	2	.	.	PUNCT
eurjchem-2551	358	1	j.	j.	PROPN
eurjchem-2551	358	2	phys	phys	PROPN
eurjchem-2551	358	3	.	.	PUNCT
eurjchem-2551	359	1	sci	sci	PROPN
eurjchem-2551	359	2	.	.	PROPN
eurjchem-2551	359	3	2011	2011	NUM
eurjchem-2551	359	4	,	,	PUNCT
eurjchem-2551	359	5	6	6	NUM
eurjchem-2551	359	6	.	.	PUNCT
eurjchem-2551	360	1	[	[	X
eurjchem-2551	360	2	30	30	NUM
eurjchem-2551	360	3	]	]	PUNCT
eurjchem-2551	360	4	.	.	PUNCT
eurjchem-2551	361	1	estévez	estévez	PROPN
eurjchem-2551	361	2	-	-	PUNCT
eurjchem-2551	361	3	hernández	hernández	PROPN
eurjchem-2551	361	4	,	,	PUNCT
eurjchem-2551	361	5	o.	o.	PROPN
eurjchem-2551	361	6	;	;	PUNCT
eurjchem-2551	361	7	otazo	otazo	PROPN
eurjchem-2551	361	8	-	-	PUNCT
eurjchem-2551	361	9	sánchez	sánchez	PROPN
eurjchem-2551	361	10	,	,	PUNCT
eurjchem-2551	361	11	e.	e.	PROPN
eurjchem-2551	361	12	;	;	PUNCT
eurjchem-2551	361	13	hidalgo	hidalgo	PROPN
eurjchem-2551	361	14	-	-	PUNCT
eurjchem-2551	361	15	hidalgo	hidalgo	PROPN
eurjchem-2551	361	16	de	de	PROPN
eurjchem-2551	361	17	cisneros	cisneros	PROPN
eurjchem-2551	361	18	,	,	PUNCT
eurjchem-2551	361	19	j.	j.	PROPN
eurjchem-2551	361	20	l.	l.	PROPN
eurjchem-2551	361	21	;	;	PUNCT
eurjchem-2551	361	22	naranjo	naranjo	PROPN
eurjchem-2551	361	23	-	-	PUNCT
eurjchem-2551	361	24	rodríguez	rodríguez	PROPN
eurjchem-2551	361	25	,	,	PUNCT
eurjchem-2551	361	26	i.	i.	NOUN
eurjchem-2551	361	27	;	;	PUNCT
eurjchem-2551	361	28	reguera	reguera	PROPN
eurjchem-2551	361	29	,	,	PUNCT
eurjchem-2551	361	30	e.	e.	PROPN
eurjchem-2551	361	31	a	a	DET
eurjchem-2551	361	32	raman	raman	NOUN
eurjchem-2551	361	33	and	and	CCONJ
eurjchem-2551	361	34	infrared	infrared	ADJ
eurjchem-2551	361	35	study	study	NOUN
eurjchem-2551	361	36	of	of	ADP
eurjchem-2551	361	37	1	1	NUM
eurjchem-2551	361	38	-	-	PUNCT
eurjchem-2551	361	39	furoyl-3	furoyl-3	ADV
eurjchem-2551	361	40	-	-	PUNCT
eurjchem-2551	361	41	monosubstituted	monosubstitute	VERB
eurjchem-2551	361	42	and	and	CCONJ
eurjchem-2551	361	43	3,3	3,3	NUM
eurjchem-2551	361	44	-	-	PUNCT
eurjchem-2551	361	45	disubstituted	disubstitute	VERB
eurjchem-2551	361	46	thioureas	thiourea	NOUN
eurjchem-2551	361	47	.	.	PUNCT
eurjchem-2551	362	1	spectrochim	spectrochim	PROPN
eurjchem-2551	362	2	.	.	PUNCT
eurjchem-2551	363	1	acta	acta	PROPN
eurjchem-2551	363	2	a	a	DET
eurjchem-2551	363	3	mol	mol	PROPN
eurjchem-2551	363	4	.	.	PROPN
eurjchem-2551	363	5	biomol	biomol	PROPN
eurjchem-2551	363	6	.	.	PUNCT
eurjchem-2551	364	1	spectrosc	spectrosc	PROPN
eurjchem-2551	364	2	.	.	PUNCT
eurjchem-2551	365	1	2005	2005	NUM
eurjchem-2551	365	2	,	,	PUNCT
eurjchem-2551	365	3	62	62	NUM
eurjchem-2551	365	4	,	,	PUNCT
eurjchem-2551	365	5	964–971	964–971	NUM
eurjchem-2551	365	6	.	.	PUNCT
eurjchem-2551	366	1	[	[	X
eurjchem-2551	366	2	31	31	NUM
eurjchem-2551	366	3	]	]	PUNCT
eurjchem-2551	366	4	.	.	PUNCT
eurjchem-2551	366	5	kirishnamaline	kirishnamaline	PROPN
eurjchem-2551	366	6	,	,	PUNCT
eurjchem-2551	366	7	g.	g.	PROPN
eurjchem-2551	366	8	;	;	PUNCT
eurjchem-2551	366	9	magdaline	magdaline	PROPN
eurjchem-2551	366	10	,	,	PUNCT
eurjchem-2551	366	11	j.	j.	PROPN
eurjchem-2551	366	12	d.	d.	PROPN
eurjchem-2551	366	13	;	;	PUNCT
eurjchem-2551	366	14	chithambarathanu	chithambarathanu	PROPN
eurjchem-2551	366	15	,	,	PUNCT
eurjchem-2551	366	16	t.	t.	PROPN
eurjchem-2551	366	17	;	;	PUNCT
eurjchem-2551	366	18	aruldhas	aruldhas	PROPN
eurjchem-2551	366	19	,	,	PUNCT
eurjchem-2551	366	20	d.	d.	PROPN
eurjchem-2551	366	21	;	;	PUNCT
eurjchem-2551	366	22	anuf	anuf	PROPN
eurjchem-2551	366	23	,	,	PUNCT
eurjchem-2551	366	24	a.	a.	PROPN
eurjchem-2551	366	25	r.	r.	PROPN
eurjchem-2551	366	26	theoretical	theoretical	PROPN
eurjchem-2551	366	27	investigation	investigation	NOUN
eurjchem-2551	366	28	of	of	ADP
eurjchem-2551	366	29	structure	structure	NOUN
eurjchem-2551	366	30	,	,	PUNCT
eurjchem-2551	366	31	anticancer	anticancer	NOUN
eurjchem-2551	366	32	activity	activity	NOUN
eurjchem-2551	366	33	and	and	CCONJ
eurjchem-2551	366	34	molecular	molecular	ADJ
eurjchem-2551	366	35	docking	docking	NOUN
eurjchem-2551	366	36	of	of	ADP
eurjchem-2551	366	37	thiourea	thiourea	NOUN
eurjchem-2551	366	38	derivatives	derivative	NOUN
eurjchem-2551	366	39	.	.	PUNCT
eurjchem-2551	367	1	j.	j.	PROPN
eurjchem-2551	367	2	mol	mol	PROPN
eurjchem-2551	367	3	.	.	PROPN
eurjchem-2551	367	4	struct	struct	NOUN
eurjchem-2551	367	5	.	.	PUNCT
eurjchem-2551	367	6	2021	2021	NUM
eurjchem-2551	367	7	,	,	PUNCT
eurjchem-2551	367	8	1225	1225	NUM
eurjchem-2551	367	9	,	,	PUNCT
eurjchem-2551	367	10	129118	129118	NUM
eurjchem-2551	367	11	.	.	PUNCT
eurjchem-2551	368	1	[	[	X
eurjchem-2551	368	2	32	32	NUM
eurjchem-2551	368	3	]	]	PUNCT
eurjchem-2551	368	4	.	.	PUNCT
eurjchem-2551	369	1	asghar	asghar	PROPN
eurjchem-2551	369	2	,	,	PUNCT
eurjchem-2551	369	3	f.	f.	PROPN
eurjchem-2551	369	4	;	;	PUNCT
eurjchem-2551	369	5	fatima	fatima	PROPN
eurjchem-2551	369	6	,	,	PUNCT
eurjchem-2551	369	7	s.	s.	PROPN
eurjchem-2551	369	8	;	;	PUNCT
eurjchem-2551	369	9	rana	rana	PROPN
eurjchem-2551	369	10	,	,	PUNCT
eurjchem-2551	369	11	s.	s.	PROPN
eurjchem-2551	369	12	;	;	PUNCT
eurjchem-2551	369	13	badshah	badshah	PROPN
eurjchem-2551	369	14	,	,	PUNCT
eurjchem-2551	369	15	a.	a.	NOUN
eurjchem-2551	369	16	;	;	PUNCT
eurjchem-2551	369	17	butler	butler	PROPN
eurjchem-2551	369	18	,	,	PUNCT
eurjchem-2551	369	19	i.	i.	PROPN
eurjchem-2551	369	20	s.	s.	PROPN
eurjchem-2551	369	21	;	;	PUNCT
eurjchem-2551	369	22	tahir	tahir	PROPN
eurjchem-2551	369	23	,	,	PUNCT
eurjchem-2551	369	24	m.	m.	PROPN
eurjchem-2551	369	25	n.	n.	PROPN
eurjchem-2551	369	26	synthesis	synthesis	PROPN
eurjchem-2551	369	27	,	,	PUNCT
eurjchem-2551	369	28	spectroscopic	spectroscopic	ADJ
eurjchem-2551	369	29	investigation	investigation	NOUN
eurjchem-2551	369	30	,	,	PUNCT
eurjchem-2551	369	31	and	and	CCONJ
eurjchem-2551	369	32	dft	dft	PROPN
eurjchem-2551	369	33	study	study	NOUN
eurjchem-2551	369	34	of	of	ADP
eurjchem-2551	369	35	n	n	CCONJ
eurjchem-2551	369	36	,	,	PUNCT
eurjchem-2551	369	37	n′disubstituted	n′disubstituted	ADJ
eurjchem-2551	369	38	ferrocene	ferrocene	NOUN
eurjchem-2551	369	39	-	-	PUNCT
eurjchem-2551	369	40	based	base	VERB
eurjchem-2551	369	41	thiourea	thiourea	NOUN
eurjchem-2551	369	42	complexes	complex	NOUN
eurjchem-2551	369	43	as	as	ADP
eurjchem-2551	369	44	potent	potent	ADJ
eurjchem-2551	369	45	anticancer	anticancer	NOUN
eurjchem-2551	369	46	agents	agent	NOUN
eurjchem-2551	369	47	.	.	PUNCT
eurjchem-2551	370	1	dalton	dalton	PROPN
eurjchem-2551	370	2	trans	trans	PROPN
eurjchem-2551	370	3	.	.	PROPN
eurjchem-2551	370	4	2018	2018	NUM
eurjchem-2551	370	5	,	,	PUNCT
eurjchem-2551	370	6	47	47	NUM
eurjchem-2551	370	7	,	,	PUNCT
eurjchem-2551	370	8	1868–1878	1868–1878	NUM
eurjchem-2551	370	9	.	.	PUNCT
eurjchem-2551	371	1	[	[	X
eurjchem-2551	371	2	33	33	NUM
eurjchem-2551	371	3	]	]	PUNCT
eurjchem-2551	371	4	.	.	PUNCT
eurjchem-2551	372	1	khurshid	khurshid	PROPN
eurjchem-2551	372	2	,	,	PUNCT
eurjchem-2551	372	3	a.	a.	PROPN
eurjchem-2551	372	4	;	;	PUNCT
eurjchem-2551	372	5	saeed	saeed	PROPN
eurjchem-2551	372	6	,	,	PUNCT
eurjchem-2551	372	7	a.	a.	NOUN
eurjchem-2551	372	8	;	;	PUNCT
eurjchem-2551	372	9	shabir	shabir	PROPN
eurjchem-2551	372	10	,	,	PUNCT
eurjchem-2551	372	11	g.	g.	PROPN
eurjchem-2551	372	12	;	;	PUNCT
eurjchem-2551	372	13	gil	gil	PROPN
eurjchem-2551	372	14	,	,	PUNCT
eurjchem-2551	372	15	d.	d.	PROPN
eurjchem-2551	372	16	m.	m.	PROPN
eurjchem-2551	372	17	;	;	PUNCT
eurjchem-2551	372	18	bolte	bolte	PROPN
eurjchem-2551	372	19	,	,	PUNCT
eurjchem-2551	372	20	m.	m.	NOUN
eurjchem-2551	372	21	;	;	PUNCT
eurjchem-2551	372	22	erben	erben	PROPN
eurjchem-2551	372	23	,	,	PUNCT
eurjchem-2551	372	24	m.	m.	NOUN
eurjchem-2551	372	25	f.	f.	PROPN
eurjchem-2551	372	26	synthesis	synthesis	NOUN
eurjchem-2551	372	27	of	of	ADP
eurjchem-2551	372	28	phenazone	phenazone	NOUN
eurjchem-2551	372	29	based	base	VERB
eurjchem-2551	372	30	carboxamide	carboxamide	NOUN
eurjchem-2551	372	31	under	under	ADP
eurjchem-2551	372	32	thiourea	thiourea	NOUN
eurjchem-2551	372	33	reaction	reaction	NOUN
eurjchem-2551	372	34	conditions	condition	NOUN
eurjchem-2551	372	35	.	.	PUNCT
eurjchem-2551	373	1	molecular	molecular	ADJ
eurjchem-2551	373	2	and	and	CCONJ
eurjchem-2551	373	3	crystal	crystal	NOUN
eurjchem-2551	373	4	structure	structure	NOUN
eurjchem-2551	373	5	,	,	PUNCT
eurjchem-2551	373	6	hirshfeld	hirshfeld	PROPN
eurjchem-2551	373	7	surface	surface	NOUN
eurjchem-2551	373	8	analysis	analysis	NOUN
eurjchem-2551	373	9	and	and	CCONJ
eurjchem-2551	373	10	intermolecular	intermolecular	ADJ
eurjchem-2551	373	11	interaction	interaction	NOUN
eurjchem-2551	373	12	energies	energy	NOUN
eurjchem-2551	373	13	.	.	PUNCT
eurjchem-2551	374	1	j.	j.	PROPN
eurjchem-2551	374	2	mol	mol	PROPN
eurjchem-2551	374	3	.	.	PROPN
eurjchem-2551	374	4	struct	struct	NOUN
eurjchem-2551	374	5	.	.	PUNCT
eurjchem-2551	375	1	2023	2023	NUM
eurjchem-2551	375	2	,	,	PUNCT
eurjchem-2551	375	3	1278	1278	NUM
eurjchem-2551	375	4	,	,	PUNCT
eurjchem-2551	375	5	134948	134948	NUM
eurjchem-2551	375	6	.	.	PUNCT
eurjchem-2551	376	1	[	[	X
eurjchem-2551	376	2	34	34	NUM
eurjchem-2551	376	3	]	]	PUNCT
eurjchem-2551	376	4	.	.	PUNCT
eurjchem-2551	377	1	hansen	hansen	PROPN
eurjchem-2551	377	2	,	,	PUNCT
eurjchem-2551	377	3	p.	p.	PROPN
eurjchem-2551	377	4	e.	e.	PROPN
eurjchem-2551	377	5	;	;	PUNCT
eurjchem-2551	377	6	vakili	vakili	NOUN
eurjchem-2551	377	7	,	,	PUNCT
eurjchem-2551	377	8	m.	m.	NOUN
eurjchem-2551	377	9	;	;	PUNCT
eurjchem-2551	377	10	kamounah	kamounah	PROPN
eurjchem-2551	377	11	,	,	PUNCT
eurjchem-2551	377	12	f.	f.	PROPN
eurjchem-2551	377	13	s.	s.	PROPN
eurjchem-2551	377	14	;	;	PUNCT
eurjchem-2551	377	15	spanget	spanget	NOUN
eurjchem-2551	377	16	-	-	PUNCT
eurjchem-2551	377	17	larsen	larsen	PROPN
eurjchem-2551	377	18	,	,	PUNCT
eurjchem-2551	377	19	j.	j.	PROPN
eurjchem-2551	377	20	nh	nh	PROPN
eurjchem-2551	377	21	stretching	stretch	VERB
eurjchem-2551	377	22	frequencies	frequency	NOUN
eurjchem-2551	377	23	of	of	ADP
eurjchem-2551	377	24	intramolecularly	intramolecularly	ADV
eurjchem-2551	377	25	hydrogen	hydrogen	NOUN
eurjchem-2551	377	26	-	-	PUNCT
eurjchem-2551	377	27	bonded	bond	VERB
eurjchem-2551	377	28	systems	system	NOUN
eurjchem-2551	377	29	:	:	PUNCT
eurjchem-2551	377	30	an	an	DET
eurjchem-2551	377	31	experimental	experimental	ADJ
eurjchem-2551	377	32	and	and	CCONJ
eurjchem-2551	377	33	theoretical	theoretical	ADJ
eurjchem-2551	377	34	study	study	NOUN
eurjchem-2551	377	35	.	.	PUNCT
eurjchem-2551	378	1	molecules	molecule	NOUN
eurjchem-2551	378	2	2021	2021	NUM
eurjchem-2551	378	3	,	,	PUNCT
eurjchem-2551	378	4	26	26	NUM
eurjchem-2551	378	5	,	,	PUNCT
eurjchem-2551	378	6	7651	7651	NUM
eurjchem-2551	378	7	.	.	PUNCT
eurjchem-2551	379	1	[	[	X
eurjchem-2551	379	2	35	35	NUM
eurjchem-2551	379	3	]	]	SYM
eurjchem-2551	379	4	.	.	PUNCT
eurjchem-2551	380	1	qiao	qiao	PROPN
eurjchem-2551	380	2	,	,	PUNCT
eurjchem-2551	380	3	l.	l.	PROPN
eurjchem-2551	380	4	;	;	PUNCT
eurjchem-2551	380	5	zhang	zhang	PROPN
eurjchem-2551	380	6	,	,	PUNCT
eurjchem-2551	380	7	y.	y.	PROPN
eurjchem-2551	380	8	;	;	PUNCT
eurjchem-2551	380	9	hu	hu	PROPN
eurjchem-2551	380	10	,	,	PUNCT
eurjchem-2551	380	11	w.	w.	PROPN
eurjchem-2551	380	12	;	;	PUNCT
eurjchem-2551	380	13	guo	guo	PROPN
eurjchem-2551	380	14	,	,	PUNCT
eurjchem-2551	380	15	j.	j.	PROPN
eurjchem-2551	380	16	;	;	PUNCT
eurjchem-2551	380	17	cao	cao	PROPN
eurjchem-2551	380	18	,	,	PUNCT
eurjchem-2551	380	19	w.	w.	NOUN
eurjchem-2551	380	20	;	;	PUNCT
eurjchem-2551	380	21	ding	ding	PROPN
eurjchem-2551	380	22	,	,	PUNCT
eurjchem-2551	380	23	z.	z.	PROPN
eurjchem-2551	380	24	;	;	PUNCT
eurjchem-2551	380	25	guo	guo	PROPN
eurjchem-2551	380	26	,	,	PUNCT
eurjchem-2551	380	27	z.	z.	PROPN
eurjchem-2551	380	28	;	;	PUNCT
eurjchem-2551	380	29	fan	fan	PROPN
eurjchem-2551	380	30	,	,	PUNCT
eurjchem-2551	380	31	a.	a.	NOUN
eurjchem-2551	380	32	;	;	PUNCT
eurjchem-2551	380	33	song	song	NOUN
eurjchem-2551	380	34	,	,	PUNCT
eurjchem-2551	380	35	j.	j.	PROPN
eurjchem-2551	380	36	;	;	PUNCT
eurjchem-2551	380	37	huang	huang	PROPN
eurjchem-2551	380	38	,	,	PUNCT
eurjchem-2551	380	39	j.	j.	PROPN
eurjchem-2551	380	40	synthesis	synthesis	PROPN
eurjchem-2551	380	41	,	,	PUNCT
eurjchem-2551	380	42	structural	structural	ADJ
eurjchem-2551	380	43	characterization	characterization	NOUN
eurjchem-2551	380	44	and	and	CCONJ
eurjchem-2551	380	45	quantum	quantum	NOUN
eurjchem-2551	380	46	chemical	chemical	NOUN
eurjchem-2551	380	47	calculations	calculation	NOUN
eurjchem-2551	380	48	on	on	ADP
eurjchem-2551	380	49	1-(isomeric	1-(isomeric	NUM
eurjchem-2551	380	50	methylbenzoyl)-3-(4trifluoromethylphenyl)thioureas	methylbenzoyl)-3-(4trifluoromethylphenyl)thioureas	PROPN
eurjchem-2551	380	51	.	.	PUNCT
eurjchem-2551	381	1	j.	j.	PROPN
eurjchem-2551	381	2	mol	mol	PROPN
eurjchem-2551	381	3	.	.	PROPN
eurjchem-2551	381	4	struct	struct	NOUN
eurjchem-2551	381	5	.	.	PUNCT
eurjchem-2551	382	1	2017	2017	NUM
eurjchem-2551	382	2	,	,	PUNCT
eurjchem-2551	382	3	1141	1141	NUM
eurjchem-2551	382	4	,	,	PUNCT
eurjchem-2551	382	5	309–321	309–321	NUM
eurjchem-2551	382	6	.	.	PUNCT
eurjchem-2551	383	1	[	[	X
eurjchem-2551	383	2	36	36	NUM
eurjchem-2551	383	3	]	]	PUNCT
eurjchem-2551	383	4	.	.	PUNCT
eurjchem-2551	384	1	saeed	saeed	PROPN
eurjchem-2551	384	2	,	,	PUNCT
eurjchem-2551	384	3	a.	a.	PROPN
eurjchem-2551	384	4	;	;	PUNCT
eurjchem-2551	384	5	khurshid	khurshid	PROPN
eurjchem-2551	384	6	,	,	PUNCT
eurjchem-2551	384	7	a.	a.	PROPN
eurjchem-2551	384	8	;	;	PUNCT
eurjchem-2551	384	9	bolte	bolte	PROPN
eurjchem-2551	384	10	,	,	PUNCT
eurjchem-2551	384	11	m.	m.	NOUN
eurjchem-2551	384	12	;	;	PUNCT
eurjchem-2551	384	13	fantoni	fantoni	ADJ
eurjchem-2551	384	14	,	,	PUNCT
eurjchem-2551	384	15	a.	a.	PROPN
eurjchem-2551	384	16	c.	c.	PROPN
eurjchem-2551	384	17	;	;	PUNCT
eurjchem-2551	384	18	erben	erben	PROPN
eurjchem-2551	384	19	,	,	PUNCT
eurjchem-2551	384	20	m.	m.	PROPN
eurjchem-2551	384	21	f.	f.	PROPN
eurjchem-2551	384	22	intraand	intraand	PROPN
eurjchem-2551	384	23	intermolecular	intermolecular	ADJ
eurjchem-2551	384	24	hydrogen	hydrogen	NOUN
eurjchem-2551	384	25	bonding	bonding	NOUN
eurjchem-2551	384	26	and	and	CCONJ
eurjchem-2551	384	27	conformation	conformation	NOUN
eurjchem-2551	384	28	in	in	ADP
eurjchem-2551	384	29	1	1	NUM
eurjchem-2551	384	30	-	-	PUNCT
eurjchem-2551	384	31	acyl	acyl	NOUN
eurjchem-2551	384	32	thioureas	thiourea	NOUN
eurjchem-2551	384	33	:	:	PUNCT
eurjchem-2551	384	34	an	an	DET
eurjchem-2551	384	35	experimental	experimental	ADJ
eurjchem-2551	384	36	and	and	CCONJ
eurjchem-2551	384	37	theoretical	theoretical	ADJ
eurjchem-2551	384	38	approach	approach	NOUN
eurjchem-2551	384	39	on	on	ADP
eurjchem-2551	384	40	1-(2chlorobenzoyl)thiourea	1-(2chlorobenzoyl)thiourea	NUM
eurjchem-2551	384	41	.	.	PUNCT
eurjchem-2551	385	1	spectrochim	spectrochim	PROPN
eurjchem-2551	385	2	.	.	PUNCT
eurjchem-2551	386	1	acta	acta	PROPN
eurjchem-2551	386	2	a	a	DET
eurjchem-2551	386	3	mol	mol	PROPN
eurjchem-2551	386	4	.	.	PROPN
eurjchem-2551	386	5	biomol	biomol	PROPN
eurjchem-2551	386	6	.	.	PUNCT
eurjchem-2551	387	1	spectrosc	spectrosc	PROPN
eurjchem-2551	387	2	.	.	PUNCT
eurjchem-2551	388	1	2015	2015	NUM
eurjchem-2551	388	2	,	,	PUNCT
eurjchem-2551	388	3	143	143	NUM
eurjchem-2551	388	4	,	,	PUNCT
eurjchem-2551	388	5	59–66	59–66	NUM
eurjchem-2551	388	6	.	.	PUNCT
eurjchem-2551	389	1	[	[	X
eurjchem-2551	389	2	37	37	NUM
eurjchem-2551	389	3	]	]	SYM
eurjchem-2551	389	4	.	.	PUNCT
eurjchem-2551	389	5	özer	özer	NOUN
eurjchem-2551	389	6	,	,	PUNCT
eurjchem-2551	389	7	c.	c.	PROPN
eurjchem-2551	389	8	k.	k.	PROPN
eurjchem-2551	389	9	;	;	PUNCT
eurjchem-2551	389	10	arslan	arslan	PROPN
eurjchem-2551	389	11	,	,	PUNCT
eurjchem-2551	389	12	h.	h.	PROPN
eurjchem-2551	389	13	;	;	PUNCT
eurjchem-2551	389	14	vanderveer	vanderveer	NOUN
eurjchem-2551	389	15	,	,	PUNCT
eurjchem-2551	389	16	d.	d.	PROPN
eurjchem-2551	389	17	;	;	PUNCT
eurjchem-2551	389	18	külcü	külcü	PROPN
eurjchem-2551	389	19	,	,	PUNCT
eurjchem-2551	389	20	n.	n.	NOUN
eurjchem-2551	389	21	synthesis	synthesis	NOUN
eurjchem-2551	389	22	and	and	CCONJ
eurjchem-2551	389	23	characterization	characterization	NOUN
eurjchem-2551	389	24	of	of	ADP
eurjchem-2551	389	25	n-(arylcarbamothioyl)-cyclohexanecarboxamide	n-(arylcarbamothioyl)-cyclohexanecarboxamide	ADJ
eurjchem-2551	389	26	derivatives	derivative	NOUN
eurjchem-2551	389	27	:	:	PUNCT
eurjchem-2551	389	28	the	the	DET
eurjchem-2551	389	29	crystal	crystal	NOUN
eurjchem-2551	389	30	structure	structure	NOUN
eurjchem-2551	389	31	of	of	ADP
eurjchem-2551	389	32	n-(naphthalen-1ylcarbamothioyl)cyclohexanecarboxamide	n-(naphthalen-1ylcarbamothioyl)cyclohexanecarboxamide	PROPN
eurjchem-2551	389	33	.	.	PUNCT
eurjchem-2551	390	1	molecules	molecule	NOUN
eurjchem-2551	390	2	2009	2009	NUM
eurjchem-2551	390	3	,	,	PUNCT
eurjchem-2551	390	4	14	14	NUM
eurjchem-2551	390	5	,	,	PUNCT
eurjchem-2551	390	6	655	655	NUM
eurjchem-2551	390	7	–	–	PUNCT
eurjchem-2551	390	8	666	666	NUM
eurjchem-2551	390	9	.	.	PUNCT
eurjchem-2551	391	1	[	[	X
eurjchem-2551	391	2	38	38	NUM
eurjchem-2551	391	3	]	]	PUNCT
eurjchem-2551	391	4	.	.	PUNCT
eurjchem-2551	392	1	mulliken	mulliken	PROPN
eurjchem-2551	392	2	,	,	PUNCT
eurjchem-2551	392	3	r.	r.	PROPN
eurjchem-2551	392	4	s.	s.	PROPN
eurjchem-2551	392	5	electronic	electronic	ADJ
eurjchem-2551	392	6	population	population	NOUN
eurjchem-2551	392	7	analysis	analysis	NOUN
eurjchem-2551	392	8	on	on	ADP
eurjchem-2551	392	9	lcao	lcao	NOUN
eurjchem-2551	392	10	–	–	PUNCT
eurjchem-2551	392	11	mo	mo	X
eurjchem-2551	392	12	molecular	molecular	ADJ
eurjchem-2551	392	13	wave	wave	NOUN
eurjchem-2551	392	14	functions	function	NOUN
eurjchem-2551	392	15	.	.	PUNCT
eurjchem-2551	393	1	i.	i.	PROPN
eurjchem-2551	393	2	j.	j.	PROPN
eurjchem-2551	393	3	chem	chem	PROPN
eurjchem-2551	393	4	.	.	PUNCT
eurjchem-2551	394	1	phys	phy	NOUN
eurjchem-2551	394	2	.	.	PUNCT
eurjchem-2551	395	1	1955	1955	NUM
eurjchem-2551	395	2	,	,	PUNCT
eurjchem-2551	395	3	23	23	NUM
eurjchem-2551	395	4	,	,	PUNCT
eurjchem-2551	395	5	1833–1840	1833–1840	NUM
eurjchem-2551	395	6	.	.	PUNCT
eurjchem-2551	396	1	[	[	X
eurjchem-2551	396	2	39	39	NUM
eurjchem-2551	396	3	]	]	PUNCT
eurjchem-2551	396	4	.	.	PUNCT
eurjchem-2551	397	1	scrocco	scrocco	PROPN
eurjchem-2551	397	2	,	,	PUNCT
eurjchem-2551	397	3	e.	e.	PROPN
eurjchem-2551	397	4	;	;	PUNCT
eurjchem-2551	397	5	tomasi	tomasi	PROPN
eurjchem-2551	397	6	,	,	PUNCT
eurjchem-2551	397	7	j.	j.	PROPN
eurjchem-2551	397	8	electronic	electronic	ADJ
eurjchem-2551	397	9	molecular	molecular	ADJ
eurjchem-2551	397	10	structure	structure	NOUN
eurjchem-2551	397	11	,	,	PUNCT
eurjchem-2551	397	12	reactivity	reactivity	NOUN
eurjchem-2551	397	13	and	and	CCONJ
eurjchem-2551	397	14	intermolecular	intermolecular	ADJ
eurjchem-2551	397	15	forces	force	NOUN
eurjchem-2551	397	16	:	:	PUNCT
eurjchem-2551	397	17	an	an	DET
eurjchem-2551	397	18	euristic	euristic	ADJ
eurjchem-2551	397	19	interpretation	interpretation	NOUN
eurjchem-2551	397	20	by	by	ADP
eurjchem-2551	397	21	means	mean	NOUN
eurjchem-2551	397	22	of	of	ADP
eurjchem-2551	397	23	electrostatic	electrostatic	ADJ
eurjchem-2551	397	24	molecular	molecular	ADJ
eurjchem-2551	397	25	potentials	potential	NOUN
eurjchem-2551	397	26	.	.	PUNCT
eurjchem-2551	398	1	in	in	ADP
eurjchem-2551	398	2	advances	advance	NOUN
eurjchem-2551	398	3	in	in	ADP
eurjchem-2551	398	4	quantum	quantum	ADJ
eurjchem-2551	398	5	chemistry	chemistry	NOUN
eurjchem-2551	398	6	volume	volume	NOUN
eurjchem-2551	398	7	11	11	NUM
eurjchem-2551	398	8	;	;	PUNCT
eurjchem-2551	398	9	elsevier	elsevier	NOUN
eurjchem-2551	398	10	,	,	PUNCT
eurjchem-2551	398	11	1978	1978	NUM
eurjchem-2551	398	12	;	;	PUNCT
eurjchem-2551	398	13	pp	pp	ADP
eurjchem-2551	398	14	.	.	PUNCT
eurjchem-2551	399	1	115–193	115–193	NUM
eurjchem-2551	399	2	.	.	PUNCT
eurjchem-2551	400	1	[	[	X
eurjchem-2551	400	2	40	40	NUM
eurjchem-2551	400	3	]	]	PUNCT
eurjchem-2551	400	4	.	.	PUNCT
eurjchem-2551	400	5	toro	toro	PROPN
eurjchem-2551	400	6	-	-	PUNCT
eurjchem-2551	400	7	labbé	labbé	PROPN
eurjchem-2551	400	8	,	,	PUNCT
eurjchem-2551	400	9	a.	a.	NOUN
eurjchem-2551	400	10	theoretical	theoretical	ADJ
eurjchem-2551	400	11	aspects	aspect	NOUN
eurjchem-2551	400	12	of	of	ADP
eurjchem-2551	400	13	chemical	chemical	NOUN
eurjchem-2551	400	14	reactivity	reactivity	NOUN
eurjchem-2551	400	15	;	;	PUNCT
eurjchem-2551	400	16	elsevier	elsevier	PROPN
eurjchem-2551	400	17	science	science	PROPN
eurjchem-2551	400	18	:	:	PUNCT
eurjchem-2551	400	19	london	london	PROPN
eurjchem-2551	400	20	,	,	PUNCT
eurjchem-2551	400	21	england	england	PROPN
eurjchem-2551	400	22	,	,	PUNCT
eurjchem-2551	400	23	2007	2007	NUM
eurjchem-2551	400	24	.	.	PUNCT
eurjchem-2551	401	1	[	[	X
eurjchem-2551	401	2	41	41	NUM
eurjchem-2551	401	3	]	]	PUNCT
eurjchem-2551	401	4	.	.	PUNCT
eurjchem-2551	402	1	pearson	pearson	PROPN
eurjchem-2551	402	2	,	,	PUNCT
eurjchem-2551	402	3	r.	r.	PROPN
eurjchem-2551	402	4	g.	g.	PROPN
eurjchem-2551	402	5	chemical	chemical	PROPN
eurjchem-2551	402	6	hardness	hardness	PROPN
eurjchem-2551	402	7	and	and	CCONJ
eurjchem-2551	402	8	density	density	NOUN
eurjchem-2551	402	9	functional	functional	ADJ
eurjchem-2551	402	10	theory	theory	NOUN
eurjchem-2551	402	11	.	.	PUNCT
eurjchem-2551	403	1	j.	j.	PROPN
eurjchem-2551	403	2	chem	chem	PROPN
eurjchem-2551	403	3	.	.	PUNCT
eurjchem-2551	404	1	sci	sci	PROPN
eurjchem-2551	404	2	.	.	PUNCT
eurjchem-2551	405	1	(	(	PUNCT
eurjchem-2551	405	2	bangalore	bangalore	PROPN
eurjchem-2551	405	3	)	)	PUNCT
eurjchem-2551	405	4	2005	2005	NUM
eurjchem-2551	405	5	,	,	PUNCT
eurjchem-2551	405	6	117	117	NUM
eurjchem-2551	405	7	,	,	PUNCT
eurjchem-2551	405	8	369–377	369–377	NUM
eurjchem-2551	405	9	.	.	PUNCT
eurjchem-2551	406	1	[	[	X
eurjchem-2551	406	2	42	42	NUM
eurjchem-2551	406	3	]	]	PUNCT
eurjchem-2551	406	4	.	.	PUNCT
eurjchem-2551	407	1	xu	xu	INTJ
eurjchem-2551	407	2	,	,	PUNCT
eurjchem-2551	407	3	y.	y.	PROPN
eurjchem-2551	407	4	;	;	PUNCT
eurjchem-2551	407	5	chu	chu	PROPN
eurjchem-2551	407	6	,	,	PUNCT
eurjchem-2551	407	7	q.	q.	PROPN
eurjchem-2551	407	8	;	;	PUNCT
eurjchem-2551	407	9	chen	chen	PROPN
eurjchem-2551	407	10	,	,	PUNCT
eurjchem-2551	407	11	d.	d.	PROPN
eurjchem-2551	407	12	;	;	PUNCT
eurjchem-2551	407	13	fuentes	fuentes	PROPN
eurjchem-2551	407	14	,	,	PUNCT
eurjchem-2551	407	15	a.	a.	NOUN
eurjchem-2551	407	16	homo	homo	NOUN
eurjchem-2551	407	17	–	–	PUNCT
eurjchem-2551	407	18	lumo	lumo	NOUN
eurjchem-2551	407	19	gaps	gap	NOUN
eurjchem-2551	407	20	and	and	CCONJ
eurjchem-2551	407	21	molecular	molecular	ADJ
eurjchem-2551	407	22	structures	structure	NOUN
eurjchem-2551	407	23	of	of	ADP
eurjchem-2551	407	24	polycyclic	polycyclic	ADJ
eurjchem-2551	407	25	aromatic	aromatic	ADJ
eurjchem-2551	407	26	hydrocarbons	hydrocarbon	NOUN
eurjchem-2551	407	27	in	in	ADP
eurjchem-2551	407	28	soot	soot	NOUN
eurjchem-2551	407	29	formation	formation	NOUN
eurjchem-2551	407	30	.	.	PUNCT
eurjchem-2551	408	1	front	front	ADJ
eurjchem-2551	408	2	.	.	PUNCT
eurjchem-2551	408	3	mech	mech	PROPN
eurjchem-2551	408	4	.	.	PUNCT
eurjchem-2551	409	1	eng	eng	PROPN
eurjchem-2551	409	2	.	.	PROPN
eurjchem-2551	409	3	2021	2021	NUM
eurjchem-2551	409	4	,	,	PUNCT
eurjchem-2551	409	5	7	7	NUM
eurjchem-2551	409	6	.	.	PUNCT
eurjchem-2551	410	1	[	[	X
eurjchem-2551	410	2	43	43	NUM
eurjchem-2551	410	3	]	]	PUNCT
eurjchem-2551	410	4	.	.	PUNCT
eurjchem-2551	411	1	fleming	fleming	PROPN
eurjchem-2551	411	2	,	,	PUNCT
eurjchem-2551	411	3	i.	i.	NOUN
eurjchem-2551	411	4	molecular	molecular	ADJ
eurjchem-2551	411	5	orbitals	orbital	NOUN
eurjchem-2551	411	6	and	and	CCONJ
eurjchem-2551	411	7	organic	organic	ADJ
eurjchem-2551	411	8	chemical	chemical	NOUN
eurjchem-2551	411	9	reactions	reaction	NOUN
eurjchem-2551	411	10	;	;	PUNCT
eurjchem-2551	411	11	wiley	wiley	PROPN
eurjchem-2551	411	12	,	,	PUNCT
eurjchem-2551	411	13	new	new	PROPN
eurjchem-2551	411	14	york	york	PROPN
eurjchem-2551	411	15	,	,	PUNCT
eurjchem-2551	411	16	2010	2010	NUM
eurjchem-2551	411	17	.	.	PUNCT
eurjchem-2551	412	1	[	[	X
eurjchem-2551	412	2	44	44	NUM
eurjchem-2551	412	3	]	]	PUNCT
eurjchem-2551	412	4	.	.	PUNCT
eurjchem-2551	413	1	türker	türker	NOUN
eurjchem-2551	413	2	,	,	PUNCT
eurjchem-2551	413	3	l.	l.	PROPN
eurjchem-2551	413	4	interaction	interaction	NOUN
eurjchem-2551	413	5	of	of	ADP
eurjchem-2551	413	6	tnt	tnt	NOUN
eurjchem-2551	413	7	and	and	CCONJ
eurjchem-2551	413	8	aluminum	aluminum	NOUN
eurjchem-2551	413	9	–	–	PUNCT
eurjchem-2551	413	10	a	a	DET
eurjchem-2551	413	11	dft	dft	NOUN
eurjchem-2551	413	12	treatment	treatment	NOUN
eurjchem-2551	413	13	.	.	PUNCT
eurjchem-2551	414	1	z.	z.	PROPN
eurjchem-2551	414	2	anorg	anorg	PROPN
eurjchem-2551	414	3	.	.	PUNCT
eurjchem-2551	415	1	allg	allg	PROPN
eurjchem-2551	415	2	.	.	PUNCT
eurjchem-2551	416	1	chem	chem	NOUN
eurjchem-2551	416	2	.	.	PUNCT
eurjchem-2551	417	1	2015	2015	NUM
eurjchem-2551	417	2	,	,	PUNCT
eurjchem-2551	417	3	641	641	NUM
eurjchem-2551	417	4	,	,	PUNCT
eurjchem-2551	417	5	408–413	408–413	NUM
eurjchem-2551	417	6	.	.	PUNCT
eurjchem-2551	418	1	[	[	X
eurjchem-2551	418	2	45	45	NUM
eurjchem-2551	418	3	]	]	PUNCT
eurjchem-2551	418	4	.	.	PUNCT
eurjchem-2551	419	1	gökalp	gökalp	PROPN
eurjchem-2551	419	2	,	,	PUNCT
eurjchem-2551	419	3	f.	f.	PROPN
eurjchem-2551	419	4	a	a	DET
eurjchem-2551	419	5	theoretical	theoretical	ADJ
eurjchem-2551	419	6	investigation	investigation	NOUN
eurjchem-2551	419	7	of	of	ADP
eurjchem-2551	419	8	tnt	tnt	PROPN
eurjchem-2551	419	9	in	in	ADP
eurjchem-2551	419	10	different	different	ADJ
eurjchem-2551	419	11	phases	phase	NOUN
eurjchem-2551	419	12	by	by	ADP
eurjchem-2551	419	13	using	use	VERB
eurjchem-2551	419	14	dft	dft	PROPN
eurjchem-2551	419	15	.	.	PUNCT
eurjchem-2551	420	1	turkish	turkish	ADJ
eurjchem-2551	420	2	computational	computational	ADJ
eurjchem-2551	420	3	and	and	CCONJ
eurjchem-2551	420	4	theoretical	theoretical	ADJ
eurjchem-2551	420	5	chemistry	chemistry	NOUN
eurjchem-2551	420	6	2019	2019	NUM
eurjchem-2551	420	7	,	,	PUNCT
eurjchem-2551	420	8	3	3	NUM
eurjchem-2551	420	9	,	,	PUNCT
eurjchem-2551	420	10	1–4	1–4	PROPN
eurjchem-2551	420	11	.	.	PUNCT
eurjchem-2551	421	1	[	[	X
eurjchem-2551	421	2	46	46	NUM
eurjchem-2551	421	3	]	]	PUNCT
eurjchem-2551	421	4	.	.	PUNCT
eurjchem-2551	422	1	miar	miar	NOUN
eurjchem-2551	422	2	,	,	PUNCT
eurjchem-2551	422	3	m.	m.	NOUN
eurjchem-2551	422	4	;	;	PUNCT
eurjchem-2551	422	5	shiroudi	shiroudi	ADJ
eurjchem-2551	422	6	,	,	PUNCT
eurjchem-2551	422	7	a.	a.	NOUN
eurjchem-2551	422	8	;	;	PUNCT
eurjchem-2551	422	9	pourshamsian	pourshamsian	ADJ
eurjchem-2551	422	10	,	,	PUNCT
eurjchem-2551	422	11	k.	k.	PROPN
eurjchem-2551	422	12	;	;	PUNCT
eurjchem-2551	422	13	oliaey	oliaey	PROPN
eurjchem-2551	422	14	,	,	PUNCT
eurjchem-2551	422	15	a.	a.	PROPN
eurjchem-2551	422	16	r.	r.	PROPN
eurjchem-2551	422	17	;	;	PUNCT
eurjchem-2551	422	18	hatamjafari	hatamjafari	PROPN
eurjchem-2551	422	19	,	,	PUNCT
eurjchem-2551	422	20	f.	f.	PROPN
eurjchem-2551	422	21	theoretical	theoretical	ADJ
eurjchem-2551	422	22	investigations	investigation	NOUN
eurjchem-2551	422	23	on	on	ADP
eurjchem-2551	422	24	the	the	DET
eurjchem-2551	422	25	homo	homo	NOUN
eurjchem-2551	422	26	–	–	PUNCT
eurjchem-2551	422	27	lumo	lumo	NOUN
eurjchem-2551	422	28	gap	gap	NOUN
eurjchem-2551	422	29	and	and	CCONJ
eurjchem-2551	422	30	global	global	ADJ
eurjchem-2551	422	31	reactivity	reactivity	NOUN
eurjchem-2551	422	32	descriptor	descriptor	NOUN
eurjchem-2551	422	33	studies	study	NOUN
eurjchem-2551	422	34	,	,	PUNCT
eurjchem-2551	422	35	natural	natural	ADJ
eurjchem-2551	422	36	bond	bond	NOUN
eurjchem-2551	422	37	orbital	orbital	NOUN
eurjchem-2551	422	38	,	,	PUNCT
eurjchem-2551	422	39	and	and	CCONJ
eurjchem-2551	422	40	nucleusindependent	nucleusindependent	ADJ
eurjchem-2551	422	41	chemical	chemical	NOUN
eurjchem-2551	422	42	shifts	shift	NOUN
eurjchem-2551	422	43	analyses	analyse	VERB
eurjchem-2551	422	44	of	of	ADP
eurjchem-2551	422	45	3	3	NUM
eurjchem-2551	422	46	-	-	PUNCT
eurjchem-2551	422	47	phenylbenzo[d]thiazole2(3h)-imine	phenylbenzo[d]thiazole2(3h)-imine	NOUN
eurjchem-2551	422	48	and	and	CCONJ
eurjchem-2551	422	49	its	its	PRON
eurjchem-2551	422	50	para	para	NOUN
eurjchem-2551	422	51	-	-	PUNCT
eurjchem-2551	422	52	substituted	substitute	VERB
eurjchem-2551	422	53	derivatives	derivative	NOUN
eurjchem-2551	422	54	:	:	PUNCT
eurjchem-2551	422	55	solvent	solvent	ADJ
eurjchem-2551	422	56	and	and	CCONJ
eurjchem-2551	422	57	substituent	substituent	NOUN
eurjchem-2551	422	58	effects	effect	NOUN
eurjchem-2551	422	59	.	.	PUNCT
eurjchem-2551	423	1	j.	j.	PROPN
eurjchem-2551	423	2	chem	chem	PROPN
eurjchem-2551	423	3	.	.	PUNCT
eurjchem-2551	424	1	res	re	NOUN
eurjchem-2551	424	2	.	.	PROPN
eurjchem-2551	424	3	2021	2021	NUM
eurjchem-2551	424	4	,	,	PUNCT
eurjchem-2551	424	5	45	45	NUM
eurjchem-2551	424	6	,	,	PUNCT
eurjchem-2551	424	7	147–158	147–158	NUM
eurjchem-2551	424	8	.	.	PUNCT
eurjchem-2551	425	1	[	[	X
eurjchem-2551	425	2	47	47	NUM
eurjchem-2551	425	3	]	]	PUNCT
eurjchem-2551	425	4	.	.	PUNCT
eurjchem-2551	426	1	jean	jean	PROPN
eurjchem-2551	426	2	-	-	PUNCT
eurjchem-2551	426	3	pierre	pierre	PROPN
eurjchem-2551	426	4	,	,	PUNCT
eurjchem-2551	426	5	l.	l.	NOUN
eurjchem-2551	426	6	the	the	DET
eurjchem-2551	426	7	role	role	NOUN
eurjchem-2551	426	8	and	and	CCONJ
eurjchem-2551	426	9	the	the	DET
eurjchem-2551	426	10	status	status	NOUN
eurjchem-2551	426	11	of	of	ADP
eurjchem-2551	426	12	thermodynamics	thermodynamic	NOUN
eurjchem-2551	426	13	in	in	ADP
eurjchem-2551	426	14	quantum	quantum	ADJ
eurjchem-2551	426	15	chemistry	chemistry	NOUN
eurjchem-2551	426	16	calculations	calculation	NOUN
eurjchem-2551	426	17	.	.	PUNCT
eurjchem-2551	427	1	in	in	ADP
eurjchem-2551	427	2	thermodynamics	thermodynamic	NOUN
eurjchem-2551	427	3	interaction	interaction	NOUN
eurjchem-2551	427	4	studies	study	NOUN
eurjchem-2551	427	5	solids	solid	NOUN
eurjchem-2551	427	6	,	,	PUNCT
eurjchem-2551	427	7	liquids	liquid	NOUN
eurjchem-2551	427	8	and	and	CCONJ
eurjchem-2551	427	9	gases	gas	NOUN
eurjchem-2551	427	10	;	;	PUNCT
eurjchem-2551	427	11	intech	intech	PROPN
eurjchem-2551	427	12	,	,	PUNCT
eurjchem-2551	427	13	isbn	isbn	ADJ
eurjchem-2551	427	14	:	:	PUNCT
eurjchem-2551	427	15	978	978	NUM
eurjchem-2551	427	16	-	-	SYM
eurjchem-2551	427	17	953	953	NUM
eurjchem-2551	427	18	-	-	PUNCT
eurjchem-2551	427	19	307	307	NUM
eurjchem-2551	427	20	-	-	PUNCT
eurjchem-2551	427	21	563	563	NUM
eurjchem-2551	427	22	-	-	SYM
eurjchem-2551	427	23	1	1	NUM
eurjchem-2551	427	24	,	,	PUNCT
eurjchem-2551	427	25	2011	2011	NUM
eurjchem-2551	427	26	.	.	PUNCT
eurjchem-2551	428	1	copyright	copyright	NOUN
eurjchem-2551	428	2	©	©	ADP
eurjchem-2551	428	3	2024	2024	NUM
eurjchem-2551	428	4	by	by	ADP
eurjchem-2551	428	5	authors	author	NOUN
eurjchem-2551	428	6	.	.	PUNCT
eurjchem-2551	429	1	this	this	DET
eurjchem-2551	429	2	work	work	NOUN
eurjchem-2551	429	3	is	be	AUX
eurjchem-2551	429	4	published	publish	VERB
eurjchem-2551	429	5	and	and	CCONJ
eurjchem-2551	429	6	licensed	license	VERB
eurjchem-2551	429	7	by	by	ADP
eurjchem-2551	429	8	atlanta	atlanta	PROPN
eurjchem-2551	429	9	publishing	publishing	PROPN
eurjchem-2551	429	10	house	house	PROPN
eurjchem-2551	429	11	llc	llc	PROPN
eurjchem-2551	429	12	,	,	PUNCT
eurjchem-2551	429	13	atlanta	atlanta	PROPN
eurjchem-2551	429	14	,	,	PUNCT
eurjchem-2551	429	15	ga	ga	PROPN
eurjchem-2551	429	16	,	,	PUNCT
eurjchem-2551	429	17	usa	usa	PROPN
eurjchem-2551	429	18	.	.	PUNCT
eurjchem-2551	430	1	the	the	DET
eurjchem-2551	430	2	full	full	ADJ
eurjchem-2551	430	3	terms	term	NOUN
eurjchem-2551	430	4	of	of	ADP
eurjchem-2551	430	5	this	this	DET
eurjchem-2551	430	6	license	license	NOUN
eurjchem-2551	430	7	are	be	AUX
eurjchem-2551	430	8	available	available	ADJ
eurjchem-2551	430	9	at	at	ADP
eurjchem-2551	430	10	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2551	430	11	and	and	CCONJ
eurjchem-2551	430	12	incorporate	incorporate	VERB
eurjchem-2551	430	13	the	the	DET
eurjchem-2551	430	14	creative	creative	ADJ
eurjchem-2551	430	15	commons	common	NOUN
eurjchem-2551	430	16	attribution	attribution	NOUN
eurjchem-2551	430	17	-	-	PUNCT
eurjchem-2551	430	18	non	non	ADJ
eurjchem-2551	430	19	commercial	commercial	NOUN
eurjchem-2551	430	20	(	(	PUNCT
eurjchem-2551	430	21	cc	cc	NOUN
eurjchem-2551	430	22	by	by	ADP
eurjchem-2551	430	23	nc	nc	PROPN
eurjchem-2551	430	24	)	)	PUNCT
eurjchem-2551	430	25	(	(	PUNCT
eurjchem-2551	430	26	international	international	ADJ
eurjchem-2551	430	27	,	,	PUNCT
eurjchem-2551	430	28	v4.0	v4.0	NOUN
eurjchem-2551	430	29	)	)	PUNCT
eurjchem-2551	430	30	license	license	NOUN
eurjchem-2551	430	31	(	(	PUNCT
eurjchem-2551	430	32	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	NOUN
eurjchem-2551	430	33	)	)	PUNCT
eurjchem-2551	430	34	.	.	PUNCT
eurjchem-2551	431	1	by	by	ADP
eurjchem-2551	431	2	accessing	access	VERB
eurjchem-2551	431	3	the	the	DET
eurjchem-2551	431	4	work	work	NOUN
eurjchem-2551	431	5	,	,	PUNCT
eurjchem-2551	431	6	you	you	PRON
eurjchem-2551	431	7	hereby	hereby	ADV
eurjchem-2551	431	8	accept	accept	VERB
eurjchem-2551	431	9	the	the	DET
eurjchem-2551	431	10	terms	term	NOUN
eurjchem-2551	431	11	.	.	PUNCT
eurjchem-2551	432	1	this	this	PRON
eurjchem-2551	432	2	is	be	AUX
eurjchem-2551	432	3	an	an	DET
eurjchem-2551	432	4	open	open	ADJ
eurjchem-2551	432	5	access	access	NOUN
eurjchem-2551	432	6	article	article	NOUN
eurjchem-2551	432	7	distributed	distribute	VERB
eurjchem-2551	432	8	under	under	ADP
eurjchem-2551	432	9	the	the	DET
eurjchem-2551	432	10	terms	term	NOUN
eurjchem-2551	432	11	and	and	CCONJ
eurjchem-2551	432	12	conditions	condition	NOUN
eurjchem-2551	432	13	of	of	ADP
eurjchem-2551	432	14	the	the	DET
eurjchem-2551	432	15	cc	cc	PROPN
eurjchem-2551	432	16	by	by	ADP
eurjchem-2551	432	17	nc	nc	PROPN
eurjchem-2551	432	18	license	license	PROPN
eurjchem-2551	432	19	,	,	PUNCT
eurjchem-2551	432	20	which	which	PRON
eurjchem-2551	432	21	permits	permit	VERB
eurjchem-2551	432	22	unrestricted	unrestricted	ADJ
eurjchem-2551	432	23	non	non	ADJ
eurjchem-2551	432	24	-	-	ADJ
eurjchem-2551	432	25	commercial	commercial	ADJ
eurjchem-2551	432	26	use	use	NOUN
eurjchem-2551	432	27	,	,	PUNCT
eurjchem-2551	432	28	distribution	distribution	NOUN
eurjchem-2551	432	29	,	,	PUNCT
eurjchem-2551	432	30	and	and	CCONJ
eurjchem-2551	432	31	reproduction	reproduction	NOUN
eurjchem-2551	432	32	in	in	ADP
eurjchem-2551	432	33	any	any	DET
eurjchem-2551	432	34	medium	medium	NOUN
eurjchem-2551	432	35	,	,	PUNCT
eurjchem-2551	432	36	provided	provide	VERB
eurjchem-2551	432	37	the	the	DET
eurjchem-2551	432	38	original	original	ADJ
eurjchem-2551	432	39	work	work	NOUN
eurjchem-2551	432	40	is	be	AUX
eurjchem-2551	432	41	properly	properly	ADV
eurjchem-2551	432	42	cited	cite	VERB
eurjchem-2551	432	43	without	without	ADP
eurjchem-2551	432	44	any	any	DET
eurjchem-2551	432	45	further	further	ADJ
eurjchem-2551	432	46	permission	permission	NOUN
eurjchem-2551	432	47	from	from	ADP
eurjchem-2551	432	48	atlanta	atlanta	PROPN
eurjchem-2551	432	49	publishing	publishing	PROPN
eurjchem-2551	432	50	house	house	PROPN
eurjchem-2551	432	51	llc	llc	PROPN
eurjchem-2551	432	52	(	(	PUNCT
eurjchem-2551	432	53	european	european	PROPN
eurjchem-2551	432	54	journal	journal	PROPN
eurjchem-2551	432	55	of	of	ADP
eurjchem-2551	432	56	chemistry	chemistry	NOUN
eurjchem-2551	432	57	)	)	PUNCT
eurjchem-2551	432	58	.	.	PUNCT
eurjchem-2551	433	1	no	no	DET
eurjchem-2551	433	2	use	use	NOUN
eurjchem-2551	433	3	,	,	PUNCT
eurjchem-2551	433	4	distribution	distribution	NOUN
eurjchem-2551	433	5	,	,	PUNCT
eurjchem-2551	433	6	or	or	CCONJ
eurjchem-2551	433	7	reproduction	reproduction	NOUN
eurjchem-2551	433	8	is	be	AUX
eurjchem-2551	433	9	permitted	permit	VERB
eurjchem-2551	433	10	which	which	PRON
eurjchem-2551	433	11	does	do	AUX
eurjchem-2551	433	12	not	not	PART
eurjchem-2551	433	13	comply	comply	VERB
eurjchem-2551	433	14	with	with	ADP
eurjchem-2551	433	15	these	these	DET
eurjchem-2551	433	16	terms	term	NOUN
eurjchem-2551	433	17	.	.	PUNCT
eurjchem-2551	434	1	permissions	permission	NOUN
eurjchem-2551	434	2	for	for	ADP
eurjchem-2551	434	3	commercial	commercial	ADJ
eurjchem-2551	434	4	use	use	NOUN
eurjchem-2551	434	5	of	of	ADP
eurjchem-2551	434	6	this	this	DET
eurjchem-2551	434	7	work	work	NOUN
eurjchem-2551	434	8	beyond	beyond	ADP
eurjchem-2551	434	9	the	the	DET
eurjchem-2551	434	10	scope	scope	NOUN
eurjchem-2551	434	11	of	of	ADP
eurjchem-2551	434	12	the	the	DET
eurjchem-2551	434	13	license	license	NOUN
eurjchem-2551	434	14	(	(	PUNCT
eurjchem-2551	434	15	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2551	434	16	)	)	PUNCT
eurjchem-2551	434	17	are	be	AUX
eurjchem-2551	434	18	administered	administer	VERB
eurjchem-2551	434	19	by	by	ADP
eurjchem-2551	434	20	atlanta	atlanta	PROPN
eurjchem-2551	434	21	publishing	publishing	PROPN
eurjchem-2551	434	22	house	house	PROPN
eurjchem-2551	434	23	llc	llc	PROPN
eurjchem-2551	434	24	(	(	PUNCT
eurjchem-2551	434	25	european	european	PROPN
eurjchem-2551	434	26	journal	journal	PROPN
eurjchem-2551	434	27	of	of	ADP
eurjchem-2551	434	28	chemistry	chemistry	NOUN
eurjchem-2551	434	29	)	)	PUNCT
eurjchem-2551	434	30	.	.	PUNCT
eurjchem-2551	435	1	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	VERB
eurjchem-2551	435	2	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-2551	435	3	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2551	435	4	1	1	NUM
eurjchem-2551	435	5	.	.	PUNCT
eurjchem-2551	436	1	introduction	introduction	NOUN
eurjchem-2551	436	2	2	2	NUM
eurjchem-2551	436	3	.	.	PUNCT
eurjchem-2551	436	4	experimental	experimental	ADJ
eurjchem-2551	436	5	2.1	2.1	NUM
eurjchem-2551	436	6	.	.	PUNCT
eurjchem-2551	436	7	material	material	NOUN
eurjchem-2551	436	8	and	and	CCONJ
eurjchem-2551	436	9	measurements	measurement	NOUN
eurjchem-2551	436	10	2.2	2.2	NUM
eurjchem-2551	436	11	.	.	PUNCT
eurjchem-2551	437	1	synthesis	synthesis	NOUN
eurjchem-2551	437	2	and	and	CCONJ
eurjchem-2551	437	3	characterization	characterization	NOUN
eurjchem-2551	437	4	2.3	2.3	NUM
eurjchem-2551	437	5	.	.	PUNCT
eurjchem-2551	438	1	x	x	X
eurjchem-2551	438	2	-	-	PUNCT
eurjchem-2551	438	3	ray	ray	NOUN
eurjchem-2551	438	4	data	datum	NOUN
eurjchem-2551	438	5	collection	collection	NOUN
eurjchem-2551	438	6	and	and	CCONJ
eurjchem-2551	438	7	structure	structure	NOUN
eurjchem-2551	438	8	refinement	refinement	NOUN
eurjchem-2551	438	9	2.4	2.4	NUM
eurjchem-2551	438	10	.	.	PUNCT
eurjchem-2551	439	1	computational	computational	ADJ
eurjchem-2551	439	2	procedures	procedure	NOUN
eurjchem-2551	439	3	3	3	NUM
eurjchem-2551	439	4	.	.	NOUN
eurjchem-2551	439	5	results	result	NOUN
eurjchem-2551	439	6	and	and	CCONJ
eurjchem-2551	439	7	discussion	discussion	NOUN
eurjchem-2551	439	8	3.1	3.1	NUM
eurjchem-2551	439	9	.	.	PUNCT
eurjchem-2551	440	1	description	description	NOUN
eurjchem-2551	440	2	of	of	ADP
eurjchem-2551	440	3	the	the	DET
eurjchem-2551	440	4	crystal	crystal	NOUN
eurjchem-2551	440	5	structure	structure	NOUN
eurjchem-2551	440	6	3.2	3.2	NUM
eurjchem-2551	440	7	.	.	PUNCT
eurjchem-2551	441	1	spectral	spectral	ADJ
eurjchem-2551	441	2	analysis	analysis	NOUN
eurjchem-2551	441	3	3.2.1	3.2.1	NUM
eurjchem-2551	441	4	.	.	PUNCT
eurjchem-2551	442	1	vibrational	vibrational	ADJ
eurjchem-2551	442	2	spectra	spectra	NOUN
eurjchem-2551	442	3	3.2.2	3.2.2	NUM
eurjchem-2551	442	4	.	.	PUNCT
eurjchem-2551	443	1	nmr	nmr	NOUN
eurjchem-2551	443	2	analysis	analysis	NOUN
eurjchem-2551	443	3	3.3	3.3	NUM
eurjchem-2551	443	4	.	.	PUNCT
eurjchem-2551	444	1	mulliken	mulliken	PROPN
eurjchem-2551	444	2	atomic	atomic	ADJ
eurjchem-2551	444	3	charge	charge	NOUN
eurjchem-2551	444	4	analysis	analysis	NOUN
eurjchem-2551	444	5	3.4	3.4	NUM
eurjchem-2551	444	6	.	.	PUNCT
eurjchem-2551	445	1	molecular	molecular	ADJ
eurjchem-2551	445	2	electrostatic	electrostatic	ADJ
eurjchem-2551	445	3	potential	potential	NOUN
eurjchem-2551	445	4	(	(	PUNCT
eurjchem-2551	445	5	mep	mep	PROPN
eurjchem-2551	445	6	)	)	PUNCT
eurjchem-2551	445	7	3.5	3.5	NUM
eurjchem-2551	445	8	.	.	PUNCT
eurjchem-2551	446	1	frontier	frontier	NOUN
eurjchem-2551	446	2	molecular	molecular	ADJ
eurjchem-2551	446	3	orbitals	orbital	NOUN
eurjchem-2551	446	4	analysis	analysis	VERB
eurjchem-2551	446	5	3.6	3.6	NUM
eurjchem-2551	446	6	.	.	PUNCT
eurjchem-2551	447	1	thermodynamic	thermodynamic	ADJ
eurjchem-2551	447	2	properties	property	NOUN
eurjchem-2551	447	3	4	4	NUM
eurjchem-2551	447	4	.	.	PUNCT
eurjchem-2551	447	5	conclusions	conclusion	NOUN
eurjchem-2551	447	6	acknowledgements	acknowledgement	NOUN
eurjchem-2551	447	7	supporting	support	VERB
eurjchem-2551	447	8	information	information	NOUN
eurjchem-2551	447	9	disclosure	disclosure	NOUN
eurjchem-2551	447	10	statement	statement	NOUN
eurjchem-2551	447	11	credit	credit	NOUN
eurjchem-2551	447	12	authorship	authorship	NOUN
eurjchem-2551	447	13	contribution	contribution	NOUN
eurjchem-2551	447	14	statement	statement	NOUN
eurjchem-2551	447	15	orcid	orcid	NOUN
eurjchem-2551	447	16	and	and	CCONJ
eurjchem-2551	447	17	email	email	NOUN
eurjchem-2551	447	18	references	reference	NOUN
eurjchem-2551	447	19	printfield10	printfield10	PROPN
eurjchem-2551	447	20	:	:	PUNCT
eurjchem-2551	447	21	printfield11	printfield11	NOUN
eurjchem-2551	447	22	:	:	PUNCT
eurjchem-2551	447	23	printfield12	printfield12	PROPN
eurjchem-2551	447	24	:	:	PUNCT
eurjchem-2551	447	25	printfield13	printfield13	VERB
eurjchem-2551	447	26	:	:	PUNCT
eurjchem-2551	447	27	printfield14	printfield14	NOUN
eurjchem-2551	447	28	:	:	PUNCT
eurjchem-2551	447	29	printfield15	printfield15	NOUN
eurjchem-2551	447	30	:	:	PUNCT
eurjchem-2551	447	31	printfield16	printfield16	ADJ
eurjchem-2551	447	32	:	:	PUNCT
eurjchem-2551	447	33	printfield17	printfield17	NOUN
eurjchem-2551	447	34	:	:	PUNCT
eurjchem-2551	447	35	printfield18	printfield18	NOUN
eurjchem-2551	447	36	:	:	PUNCT
eurjchem-2551	447	37	printfield19	printfield19	NOUN
eurjchem-2551	447	38	:	:	PUNCT
eurjchem-2551	447	39	printfield110	printfield110	PROPN
eurjchem-2551	447	40	:	:	PUNCT
eurjchem-2551	447	41	printfield20	printfield20	PROPN
eurjchem-2551	447	42	:	:	PUNCT
eurjchem-2551	447	43	printfield21	printfield21	ADJ
eurjchem-2551	447	44	:	:	PUNCT
eurjchem-2551	447	45	printfield22	printfield22	NOUN
eurjchem-2551	447	46	:	:	PUNCT
eurjchem-2551	447	47	printfield23	printfield23	NOUN
eurjchem-2551	447	48	:	:	PUNCT
eurjchem-2551	447	49	printfield24	printfield24	NOUN
eurjchem-2551	447	50	:	:	PUNCT
eurjchem-2551	447	51	printfield25	printfield25	NOUN
eurjchem-2551	447	52	:	:	PUNCT
eurjchem-2551	447	53	printfield26	printfield26	ADJ
eurjchem-2551	447	54	:	:	PUNCT
eurjchem-2551	447	55	printfield27	printfield27	NOUN
eurjchem-2551	447	56	:	:	PUNCT
eurjchem-2551	447	57	printfield28	printfield28	NOUN
eurjchem-2551	447	58	:	:	PUNCT
eurjchem-2551	447	59	printfield29	printfield29	ADV
eurjchem-2551	447	60	:	:	PUNCT
eurjchem-2551	447	61	printfield210	printfield210	PROPN
eurjchem-2551	447	62	:	:	PUNCT