id	sid	tid	token	lemma	pos
eurjchem-2602	1	1	the	the	DET
eurjchem-2602	1	2	role	role	NOUN
eurjchem-2602	1	3	of	of	ADP
eurjchem-2602	1	4	water	water	NOUN
eurjchem-2602	1	5	and	and	CCONJ
eurjchem-2602	1	6	iodine	iodine	NOUN
eurjchem-2602	1	7	in	in	ADP
eurjchem-2602	1	8	supramolecular	supramolecular	ADJ
eurjchem-2602	1	9	assembly	assembly	NOUN
eurjchem-2602	1	10	of	of	ADP
eurjchem-2602	1	11	a	a	DET
eurjchem-2602	1	12	2d	2d	NUM
eurjchem-2602	1	13	coordination	coordination	NOUN
eurjchem-2602	1	14	of	of	ADP
eurjchem-2602	1	15	benzimidazole	benzimidazole	ADJ
eurjchem-2602	1	16	derivate	derivate	NOUN
eurjchem-2602	1	17	:	:	PUNCT
eurjchem-2602	1	18	x	x	X
eurjchem-2602	1	19	-	-	NOUN
eurjchem-2602	1	20	ray	ray	NOUN
eurjchem-2602	1	21	crystallography	crystallography	NOUN
eurjchem-2602	1	22	and	and	CCONJ
eurjchem-2602	1	23	dft	dft	PROPN
eurjchem-2602	1	24	calculations	calculations	PROPN
eurjchem-2602	1	25	european	european	PROPN
eurjchem-2602	1	26	journal	journal	PROPN
eurjchem-2602	1	27	of	of	ADP
eurjchem-2602	1	28	chemistry	chemistry	NOUN
eurjchem-2602	1	29	16	16	NUM
eurjchem-2602	1	30	(	(	PUNCT
eurjchem-2602	1	31	1	1	NUM
eurjchem-2602	1	32	)	)	PUNCT
eurjchem-2602	1	33	(	(	PUNCT
eurjchem-2602	1	34	2025	2025	NUM
eurjchem-2602	1	35	)	)	PUNCT
eurjchem-2602	1	36	7	7	NUM
eurjchem-2602	1	37	-	-	SYM
eurjchem-2602	1	38	19	19	NUM
eurjchem-2602	1	39	european	european	ADJ
eurjchem-2602	1	40	journal	journal	NOUN
eurjchem-2602	1	41	of	of	ADP
eurjchem-2602	1	42	chemistry	chemistry	NOUN
eurjchem-2602	1	43	issn	issn	VERB
eurjchem-2602	1	44	2153	2153	NUM
eurjchem-2602	1	45	-	-	SYM
eurjchem-2602	1	46	2249	2249	NUM
eurjchem-2602	1	47	(	(	PUNCT
eurjchem-2602	1	48	print	print	NOUN
eurjchem-2602	1	49	)	)	PUNCT
eurjchem-2602	1	50	/	/	PUNCT
eurjchem-2602	1	51	issn	issn	PROPN
eurjchem-2602	1	52	2153	2153	NUM
eurjchem-2602	1	53	-	-	SYM
eurjchem-2602	1	54	2257	2257	NUM
eurjchem-2602	1	55	(	(	PUNCT
eurjchem-2602	1	56	online	online	ADJ
eurjchem-2602	1	57	)	)	PUNCT
eurjchem-2602	1	58	–	–	PUNCT
eurjchem-2602	2	1	copyright	copyright	NOUN
eurjchem-2602	2	2	©	©	PROPN
eurjchem-2602	2	3	2025	2025	NUM
eurjchem-2602	2	4	the	the	DET
eurjchem-2602	2	5	authors	author	NOUN
eurjchem-2602	2	6	–	–	PUNCT
eurjchem-2602	2	7	atlanta	atlanta	PROPN
eurjchem-2602	2	8	publishing	publishing	PROPN
eurjchem-2602	2	9	house	house	PROPN
eurjchem-2602	2	10	llc	llc	PROPN
eurjchem-2602	2	11	–	–	PUNCT
eurjchem-2602	2	12	printed	print	VERB
eurjchem-2602	2	13	in	in	ADP
eurjchem-2602	2	14	the	the	DET
eurjchem-2602	2	15	usa	usa	PROPN
eurjchem-2602	2	16	.	.	PUNCT
eurjchem-2602	3	1	this	this	DET
eurjchem-2602	3	2	work	work	NOUN
eurjchem-2602	3	3	is	be	AUX
eurjchem-2602	3	4	published	publish	VERB
eurjchem-2602	3	5	and	and	CCONJ
eurjchem-2602	3	6	licensed	license	VERB
eurjchem-2602	3	7	by	by	ADP
eurjchem-2602	3	8	atlanta	atlanta	PROPN
eurjchem-2602	3	9	publishing	publishing	PROPN
eurjchem-2602	3	10	house	house	PROPN
eurjchem-2602	3	11	llc	llc	PROPN
eurjchem-2602	3	12	–	–	PUNCT
eurjchem-2602	3	13	cc	cc	PROPN
eurjchem-2602	3	14	by	by	ADP
eurjchem-2602	3	15	nc	nc	PROPN
eurjchem-2602	3	16	–	–	PUNCT
eurjchem-2602	3	17	some	some	DET
eurjchem-2602	3	18	rights	right	NOUN
eurjchem-2602	3	19	reserved	reserve	VERB
eurjchem-2602	3	20	.	.	PUNCT
eurjchem-2602	4	1	https://dx.doi.org/10.5155/eurjchem.16.1.7-19.2602	https://dx.doi.org/10.5155/eurjchem.16.1.7-19.2602	PROPN
eurjchem-2602	4	2	european	european	PROPN
eurjchem-2602	4	3	journal	journal	PROPN
eurjchem-2602	4	4	of	of	ADP
eurjchem-2602	4	5	chemistry	chemistry	NOUN
eurjchem-2602	4	6	view	view	NOUN
eurjchem-2602	4	7	journal	journal	PROPN
eurjchem-2602	4	8	online	online	PROPN
eurjchem-2602	4	9	view	view	NOUN
eurjchem-2602	4	10	article	article	NOUN
eurjchem-2602	4	11	online	online	ADV
eurjchem-2602	4	12	the	the	DET
eurjchem-2602	4	13	role	role	NOUN
eurjchem-2602	4	14	of	of	ADP
eurjchem-2602	4	15	water	water	NOUN
eurjchem-2602	4	16	and	and	CCONJ
eurjchem-2602	4	17	iodine	iodine	NOUN
eurjchem-2602	4	18	in	in	ADP
eurjchem-2602	4	19	supramolecular	supramolecular	ADJ
eurjchem-2602	4	20	assembly	assembly	NOUN
eurjchem-2602	4	21	of	of	ADP
eurjchem-2602	4	22	a	a	DET
eurjchem-2602	4	23	2d	2d	NUM
eurjchem-2602	4	24	coordination	coordination	NOUN
eurjchem-2602	4	25	of	of	ADP
eurjchem-2602	4	26	benzimidazole	benzimidazole	ADJ
eurjchem-2602	4	27	derivate	derivate	NOUN
eurjchem-2602	4	28	:	:	PUNCT
eurjchem-2602	4	29	x	x	X
eurjchem-2602	4	30	-	-	NOUN
eurjchem-2602	4	31	ray	ray	NOUN
eurjchem-2602	4	32	crystallography	crystallography	NOUN
eurjchem-2602	4	33	and	and	CCONJ
eurjchem-2602	4	34	dft	dft	PROPN
eurjchem-2602	4	35	calculations	calculation	NOUN
eurjchem-2602	4	36	sahajkumar	sahajkumar	PROPN
eurjchem-2602	4	37	anilkumar	anilkumar	PROPN
eurjchem-2602	4	38	gandhi	gandhi	PROPN
eurjchem-2602	4	39	1	1	NUM
eurjchem-2602	4	40	,	,	PUNCT
eurjchem-2602	4	41	*	*	PROPN
eurjchem-2602	4	42	,	,	PUNCT
eurjchem-2602	4	43	saurabh	saurabh	PROPN
eurjchem-2602	4	44	soni	soni	PROPN
eurjchem-2602	4	45	2	2	NUM
eurjchem-2602	4	46	,	,	PUNCT
eurjchem-2602	4	47	urmila	urmila	PROPN
eurjchem-2602	4	48	patel	patel	PROPN
eurjchem-2602	4	49	3	3	NUM
eurjchem-2602	4	50	and	and	CCONJ
eurjchem-2602	4	51	deepali	deepali	VERB
eurjchem-2602	4	52	kotadia	kotadia	PROPN
eurjchem-2602	4	53	2	2	NUM
eurjchem-2602	4	54	1	1	NUM
eurjchem-2602	4	55	department	department	NOUN
eurjchem-2602	4	56	of	of	ADP
eurjchem-2602	4	57	physics	physics	PROPN
eurjchem-2602	4	58	,	,	PUNCT
eurjchem-2602	4	59	bhartiya	bhartiya	PROPN
eurjchem-2602	4	60	vidya	vidya	PROPN
eurjchem-2602	4	61	bhavan	bhavan	PROPN
eurjchem-2602	4	62	’s	’s	PART
eurjchem-2602	4	63	shri	shri	PROPN
eurjchem-2602	4	64	ishvarlal	ishvarlal	VERB
eurjchem-2602	4	65	laxmiprasad	laxmiprasad	PROPN
eurjchem-2602	4	66	pandya	pandya	PROPN
eurjchem-2602	4	67	arts	arts	PROPN
eurjchem-2602	4	68	-	-	PUNCT
eurjchem-2602	4	69	science	science	NOUN
eurjchem-2602	4	70	and	and	CCONJ
eurjchem-2602	4	71	jashodaben	jashodaben	PROPN
eurjchem-2602	4	72	shah	shah	PROPN
eurjchem-2602	4	73	commerce	commerce	PROPN
eurjchem-2602	4	74	college	college	PROPN
eurjchem-2602	4	75	,	,	PUNCT
eurjchem-2602	4	76	dakor-388225	dakor-388225	ADJ
eurjchem-2602	4	77	,	,	PUNCT
eurjchem-2602	4	78	gujarat	gujarat	NOUN
eurjchem-2602	4	79	,	,	PUNCT
eurjchem-2602	4	80	india	india	PROPN
eurjchem-2602	4	81	2	2	NUM
eurjchem-2602	4	82	department	department	NOUN
eurjchem-2602	4	83	of	of	ADP
eurjchem-2602	4	84	chemistry	chemistry	NOUN
eurjchem-2602	4	85	,	,	PUNCT
eurjchem-2602	4	86	sardar	sardar	PROPN
eurjchem-2602	4	87	patel	patel	PROPN
eurjchem-2602	4	88	university	university	PROPN
eurjchem-2602	4	89	,	,	PUNCT
eurjchem-2602	4	90	vallabh	vallabh	NOUN
eurjchem-2602	4	91	vidyanagar-388120	vidyanagar-388120	NOUN
eurjchem-2602	4	92	,	,	PUNCT
eurjchem-2602	4	93	gujarat	gujarat	NOUN
eurjchem-2602	4	94	,	,	PUNCT
eurjchem-2602	4	95	india	india	PROPN
eurjchem-2602	4	96	3	3	PROPN
eurjchem-2602	4	97	department	department	PROPN
eurjchem-2602	4	98	of	of	ADP
eurjchem-2602	4	99	physics	physics	PROPN
eurjchem-2602	4	100	,	,	PUNCT
eurjchem-2602	4	101	sardar	sardar	PROPN
eurjchem-2602	4	102	patel	patel	PROPN
eurjchem-2602	4	103	university	university	PROPN
eurjchem-2602	4	104	,	,	PUNCT
eurjchem-2602	4	105	vallabh	vallabh	NOUN
eurjchem-2602	4	106	vidyanagar-388120	vidyanagar-388120	NOUN
eurjchem-2602	4	107	,	,	PUNCT
eurjchem-2602	4	108	gujarat	gujarat	NOUN
eurjchem-2602	4	109	,	,	PUNCT
eurjchem-2602	4	110	india	india	PROPN
eurjchem-2602	4	111	*	*	PUNCT
eurjchem-2602	4	112	corresponding	correspond	VERB
eurjchem-2602	4	113	author	author	NOUN
eurjchem-2602	4	114	at	at	ADP
eurjchem-2602	4	115	:	:	PUNCT
eurjchem-2602	4	116	department	department	NOUN
eurjchem-2602	4	117	of	of	ADP
eurjchem-2602	4	118	physics	physics	PROPN
eurjchem-2602	4	119	,	,	PUNCT
eurjchem-2602	4	120	bhartiya	bhartiya	PROPN
eurjchem-2602	4	121	vidya	vidya	PROPN
eurjchem-2602	4	122	bhavan	bhavan	PROPN
eurjchem-2602	4	123	’s	’s	PART
eurjchem-2602	4	124	shri	shri	PROPN
eurjchem-2602	4	125	ishvarlal	ishvarlal	VERB
eurjchem-2602	4	126	laxmiprasad	laxmiprasad	PROPN
eurjchem-2602	4	127	pandya	pandya	PROPN
eurjchem-2602	4	128	arts	arts	PROPN
eurjchem-2602	4	129	-	-	PUNCT
eurjchem-2602	4	130	science	science	NOUN
eurjchem-2602	4	131	and	and	CCONJ
eurjchem-2602	4	132	jashodaben	jashodaben	PROPN
eurjchem-2602	4	133	shah	shah	PROPN
eurjchem-2602	4	134	commerce	commerce	PROPN
eurjchem-2602	4	135	college	college	PROPN
eurjchem-2602	4	136	,	,	PUNCT
eurjchem-2602	4	137	dakor-388225	dakor-388225	ADJ
eurjchem-2602	4	138	,	,	PUNCT
eurjchem-2602	4	139	gujarat	gujarat	NOUN
eurjchem-2602	4	140	,	,	PUNCT
eurjchem-2602	4	141	india	india	PROPN
eurjchem-2602	4	142	.	.	PUNCT
eurjchem-2602	5	1	e	e	X
eurjchem-2602	5	2	-	-	NOUN
eurjchem-2602	5	3	mail	mail	NOUN
eurjchem-2602	5	4	:	:	PUNCT
eurjchem-2602	5	5	sahajg7@gmail.com	sahajg7@gmail.com	PROPN
eurjchem-2602	5	6	(	(	PUNCT
eurjchem-2602	5	7	s.a	s.a	PROPN
eurjchem-2602	5	8	.	.	PROPN
eurjchem-2602	5	9	gandhi	gandhi	PROPN
eurjchem-2602	5	10	)	)	PUNCT
eurjchem-2602	5	11	.	.	PUNCT
eurjchem-2602	6	1	10.5155	10.5155	NUM
eurjchem-2602	6	2	/	/	SYM
eurjchem-2602	6	3	eurjchem.16.1.7	eurjchem.16.1.7	PROPN
eurjchem-2602	6	4	-	-	PUNCT
eurjchem-2602	6	5	19.2602	19.2602	NUM
eurjchem-2602	6	6	received	receive	VERB
eurjchem-2602	6	7	:	:	PUNCT
eurjchem-2602	6	8	08	08	NUM
eurjchem-2602	6	9	october	october	PROPN
eurjchem-2602	6	10	2024	2024	NUM
eurjchem-2602	6	11	received	receive	VERB
eurjchem-2602	6	12	in	in	ADP
eurjchem-2602	6	13	revised	revise	VERB
eurjchem-2602	6	14	form	form	NOUN
eurjchem-2602	6	15	:	:	PUNCT
eurjchem-2602	6	16	16	16	NUM
eurjchem-2602	6	17	december	december	PROPN
eurjchem-2602	6	18	2024	2024	NUM
eurjchem-2602	6	19	accepted	accept	VERB
eurjchem-2602	6	20	:	:	PUNCT
eurjchem-2602	6	21	14	14	NUM
eurjchem-2602	6	22	january	january	NOUN
eurjchem-2602	6	23	2025	2025	NUM
eurjchem-2602	6	24	published	publish	VERB
eurjchem-2602	6	25	online	online	ADV
eurjchem-2602	6	26	:	:	PUNCT
eurjchem-2602	6	27	31	31	NUM
eurjchem-2602	6	28	march	march	NOUN
eurjchem-2602	6	29	2025	2025	NUM
eurjchem-2602	6	30	printed	print	VERB
eurjchem-2602	6	31	:	:	PUNCT
eurjchem-2602	6	32	31	31	NUM
eurjchem-2602	6	33	march	march	NOUN
eurjchem-2602	6	34	2025	2025	NUM
eurjchem-2602	6	35	to	to	PART
eurjchem-2602	6	36	understand	understand	VERB
eurjchem-2602	6	37	the	the	DET
eurjchem-2602	6	38	relationships	relationship	NOUN
eurjchem-2602	6	39	between	between	ADP
eurjchem-2602	6	40	molecular	molecular	ADJ
eurjchem-2602	6	41	structure	structure	NOUN
eurjchem-2602	6	42	and	and	CCONJ
eurjchem-2602	6	43	properties	property	NOUN
eurjchem-2602	6	44	,	,	PUNCT
eurjchem-2602	6	45	as	as	ADV
eurjchem-2602	6	46	well	well	ADV
eurjchem-2602	6	47	as	as	ADP
eurjchem-2602	6	48	to	to	PART
eurjchem-2602	6	49	validate	validate	VERB
eurjchem-2602	6	50	predictive	predictive	ADJ
eurjchem-2602	6	51	models	model	NOUN
eurjchem-2602	6	52	,	,	PUNCT
eurjchem-2602	6	53	density	density	NOUN
eurjchem-2602	6	54	functional	functional	ADJ
eurjchem-2602	6	55	theory	theory	NOUN
eurjchem-2602	6	56	(	(	PUNCT
eurjchem-2602	6	57	dft	dft	NOUN
eurjchem-2602	6	58	)	)	PUNCT
eurjchem-2602	6	59	and	and	CCONJ
eurjchem-2602	6	60	experimental	experimental	ADJ
eurjchem-2602	6	61	characterization	characterization	NOUN
eurjchem-2602	6	62	of	of	ADP
eurjchem-2602	6	63	molecules	molecule	NOUN
eurjchem-2602	6	64	are	be	AUX
eurjchem-2602	6	65	essential	essential	ADJ
eurjchem-2602	6	66	.	.	PUNCT
eurjchem-2602	7	1	in	in	ADP
eurjchem-2602	7	2	this	this	DET
eurjchem-2602	7	3	study	study	NOUN
eurjchem-2602	7	4	,	,	PUNCT
eurjchem-2602	7	5	we	we	PRON
eurjchem-2602	7	6	describe	describe	VERB
eurjchem-2602	7	7	the	the	DET
eurjchem-2602	7	8	synthesis	synthesis	NOUN
eurjchem-2602	7	9	and	and	CCONJ
eurjchem-2602	7	10	crystal	crystal	NOUN
eurjchem-2602	7	11	structure	structure	NOUN
eurjchem-2602	7	12	of	of	ADP
eurjchem-2602	7	13	the	the	DET
eurjchem-2602	7	14	1,3	1,3	NUM
eurjchem-2602	7	15	-	-	PUNCT
eurjchem-2602	7	16	dimethyl-3h	dimethyl-3h	NOUN
eurjchem-2602	7	17	-	-	PUNCT
eurjchem-2602	7	18	benzimidazol-1	benzimidazol-1	NUM
eurjchem-2602	7	19	-	-	PUNCT
eurjchem-2602	7	20	ium	ium	NOUN
eurjchem-2602	7	21	iodide	iodide	NOUN
eurjchem-2602	7	22	monohydrate	monohydrate	NOUN
eurjchem-2602	7	23	(	(	PUNCT
eurjchem-2602	7	24	dbziw	dbziw	ADV
eurjchem-2602	7	25	)	)	PUNCT
eurjchem-2602	7	26	,	,	PUNCT
eurjchem-2602	7	27	which	which	PRON
eurjchem-2602	7	28	crystallizes	crystallize	VERB
eurjchem-2602	7	29	in	in	ADP
eurjchem-2602	7	30	a	a	DET
eurjchem-2602	7	31	monoclinic	monoclinic	ADJ
eurjchem-2602	7	32	system	system	NOUN
eurjchem-2602	7	33	with	with	ADP
eurjchem-2602	7	34	the	the	DET
eurjchem-2602	7	35	space	space	NOUN
eurjchem-2602	7	36	group	group	NOUN
eurjchem-2602	7	37	p21	p21	PROPN
eurjchem-2602	7	38	/	/	SYM
eurjchem-2602	7	39	c	c	PROPN
eurjchem-2602	7	40	,	,	PUNCT
eurjchem-2602	7	41	a	a	DET
eurjchem-2602	7	42	=	=	SYM
eurjchem-2602	7	43	8.9323(4	8.9323(4	NOUN
eurjchem-2602	7	44	)	)	PUNCT
eurjchem-2602	8	1	å	å	PROPN
eurjchem-2602	8	2	,	,	PUNCT
eurjchem-2602	8	3	b	b	X
eurjchem-2602	8	4	=	=	SYM
eurjchem-2602	8	5	7.1654(3	7.1654(3	X
eurjchem-2602	8	6	)	)	PUNCT
eurjchem-2602	9	1	å	å	NOUN
eurjchem-2602	9	2	,	,	PUNCT
eurjchem-2602	9	3	c	c	NOUN
eurjchem-2602	9	4	=	=	SYM
eurjchem-2602	9	5	17.6425(8	17.6425(8	NUM
eurjchem-2602	9	6	)	)	PUNCT
eurjchem-2602	9	7	å	å	NOUN
eurjchem-2602	9	8	,	,	PUNCT
eurjchem-2602	9	9	β	β	X
eurjchem-2602	9	10	=	=	SYM
eurjchem-2602	9	11	101.432(2	101.432(2	NUM
eurjchem-2602	9	12	)	)	PUNCT
eurjchem-2602	9	13	°	°	NOUN
eurjchem-2602	9	14	,	,	PUNCT
eurjchem-2602	9	15	v	v	NOUN
eurjchem-2602	9	16	=	=	SYM
eurjchem-2602	9	17	1106.78(8	1106.78(8	NUM
eurjchem-2602	9	18	)	)	PUNCT
eurjchem-2602	9	19	å3	å3	PROPN
eurjchem-2602	9	20	,	,	PUNCT
eurjchem-2602	9	21	z	z	NOUN
eurjchem-2602	9	22	=	=	SYM
eurjchem-2602	9	23	4	4	NUM
eurjchem-2602	9	24	,	,	PUNCT
eurjchem-2602	9	25	t	t	NOUN
eurjchem-2602	9	26	=	=	SYM
eurjchem-2602	9	27	293(2	293(2	NUM
eurjchem-2602	9	28	)	)	PUNCT
eurjchem-2602	9	29	k	k	NOUN
eurjchem-2602	9	30	,	,	PUNCT
eurjchem-2602	9	31	μ(mokα	μ(mokα	NOUN
eurjchem-2602	9	32	)	)	PUNCT
eurjchem-2602	9	33	=	=	PUNCT
eurjchem-2602	9	34	2.860	2.860	NUM
eurjchem-2602	9	35	mm-1	mm-1	NOUN
eurjchem-2602	9	36	,	,	PUNCT
eurjchem-2602	9	37	dcalc	dcalc	NOUN
eurjchem-2602	9	38	=	=	PROPN
eurjchem-2602	9	39	1.753	1.753	NUM
eurjchem-2602	9	40	g	g	NOUN
eurjchem-2602	9	41	/	/	SYM
eurjchem-2602	9	42	cm3	cm3	NOUN
eurjchem-2602	9	43	,	,	PUNCT
eurjchem-2602	9	44	9452	9452	NUM
eurjchem-2602	9	45	reflections	reflection	NOUN
eurjchem-2602	9	46	measured	measure	VERB
eurjchem-2602	9	47	(	(	PUNCT
eurjchem-2602	9	48	4.652	4.652	NUM
eurjchem-2602	9	49	°	°	NOUN
eurjchem-2602	9	50	≤	≤	NUM
eurjchem-2602	9	51	2θ	2θ	NUM
eurjchem-2602	9	52	≤	≤	NUM
eurjchem-2602	9	53	55.512	55.512	NUM
eurjchem-2602	9	54	°	°	NUM
eurjchem-2602	9	55	)	)	PUNCT
eurjchem-2602	9	56	,	,	PUNCT
eurjchem-2602	9	57	2547	2547	NUM
eurjchem-2602	9	58	unique	unique	ADJ
eurjchem-2602	9	59	(	(	PUNCT
eurjchem-2602	9	60	rint	rint	NOUN
eurjchem-2602	9	61	=	=	SYM
eurjchem-2602	9	62	0.0244	0.0244	NUM
eurjchem-2602	9	63	,	,	PUNCT
eurjchem-2602	9	64	rsigma	rsigma	ADJ
eurjchem-2602	9	65	=	=	SYM
eurjchem-2602	9	66	0.0222	0.0222	NUM
eurjchem-2602	9	67	)	)	PUNCT
eurjchem-2602	9	68	which	which	PRON
eurjchem-2602	9	69	were	be	AUX
eurjchem-2602	9	70	used	use	VERB
eurjchem-2602	9	71	in	in	ADP
eurjchem-2602	9	72	all	all	DET
eurjchem-2602	9	73	calculations	calculation	NOUN
eurjchem-2602	9	74	.	.	PUNCT
eurjchem-2602	10	1	the	the	DET
eurjchem-2602	10	2	asymmetric	asymmetric	ADJ
eurjchem-2602	10	3	unit	unit	NOUN
eurjchem-2602	10	4	comprises	comprise	VERB
eurjchem-2602	10	5	a	a	DET
eurjchem-2602	10	6	[	[	X
eurjchem-2602	10	7	c9h11n2]+	c9h11n2]+	NOUN
eurjchem-2602	10	8	molecule	molecule	NOUN
eurjchem-2602	10	9	,	,	PUNCT
eurjchem-2602	10	10	an	an	DET
eurjchem-2602	10	11	iodine	iodine	NOUN
eurjchem-2602	10	12	ion	ion	NOUN
eurjchem-2602	10	13	(	(	PUNCT
eurjchem-2602	10	14	i-	i-	X
eurjchem-2602	10	15	)	)	PUNCT
eurjchem-2602	10	16	,	,	PUNCT
eurjchem-2602	10	17	and	and	CCONJ
eurjchem-2602	10	18	a	a	DET
eurjchem-2602	10	19	water	water	NOUN
eurjchem-2602	10	20	molecule	molecule	NOUN
eurjchem-2602	10	21	.	.	PUNCT
eurjchem-2602	11	1	the	the	DET
eurjchem-2602	11	2	b3lyp/6	b3lyp/6	PROPN
eurjchem-2602	11	3	-	-	NOUN
eurjchem-2602	11	4	311++g(d	311++g(d	PROPN
eurjchem-2602	11	5	,	,	PUNCT
eurjchem-2602	11	6	p	p	NOUN
eurjchem-2602	11	7	)	)	PUNCT
eurjchem-2602	11	8	diffuse	diffuse	NOUN
eurjchem-2602	11	9	function	function	NOUN
eurjchem-2602	11	10	was	be	AUX
eurjchem-2602	11	11	used	use	VERB
eurjchem-2602	11	12	to	to	PART
eurjchem-2602	11	13	optimize	optimize	VERB
eurjchem-2602	11	14	the	the	DET
eurjchem-2602	11	15	structures	structure	NOUN
eurjchem-2602	11	16	of	of	ADP
eurjchem-2602	11	17	1,3	1,3	NUM
eurjchem-2602	11	18	-	-	PUNCT
eurjchem-2602	11	19	dimethyl-3h	dimethyl-3h	NOUN
eurjchem-2602	11	20	-	-	PUNCT
eurjchem-2602	11	21	benzimidazol-1	benzimidazol-1	NOUN
eurjchem-2602	11	22	-	-	PUNCT
eurjchem-2602	11	23	ium	ium	NOUN
eurjchem-2602	11	24	(	(	PUNCT
eurjchem-2602	11	25	dbz	dbz	PROPN
eurjchem-2602	11	26	)	)	PUNCT
eurjchem-2602	11	27	and	and	CCONJ
eurjchem-2602	11	28	1,3	1,3	NUM
eurjchem-2602	11	29	-	-	PUNCT
eurjchem-2602	11	30	dimethyl-3h	dimethyl-3h	NOUN
eurjchem-2602	11	31	-	-	PUNCT
eurjchem-2602	11	32	benzimidazol-1	benzimidazol-1	NUM
eurjchem-2602	11	33	-	-	PUNCT
eurjchem-2602	11	34	ium	ium	NOUN
eurjchem-2602	11	35	monohydrate	monohydrate	NOUN
eurjchem-2602	11	36	(	(	PUNCT
eurjchem-2602	11	37	dbzw	dbzw	PROPN
eurjchem-2602	11	38	)	)	PUNCT
eurjchem-2602	11	39	,	,	PUNCT
eurjchem-2602	11	40	while	while	SCONJ
eurjchem-2602	11	41	the	the	DET
eurjchem-2602	11	42	structures	structure	NOUN
eurjchem-2602	11	43	of	of	ADP
eurjchem-2602	11	44	1,3	1,3	NUM
eurjchem-2602	11	45	-	-	PUNCT
eurjchem-2602	11	46	dimethyl-3h	dimethyl-3h	NOUN
eurjchem-2602	11	47	-	-	PUNCT
eurjchem-2602	11	48	benzimidazol-1	benzimidazol-1	NUM
eurjchem-2602	11	49	-	-	PUNCT
eurjchem-2602	11	50	ium	ium	NOUN
eurjchem-2602	11	51	iodine	iodine	NOUN
eurjchem-2602	11	52	(	(	PUNCT
eurjchem-2602	11	53	dbzi	dbzi	NOUN
eurjchem-2602	11	54	)	)	PUNCT
eurjchem-2602	11	55	and	and	CCONJ
eurjchem-2602	11	56	1,3	1,3	NUM
eurjchem-2602	11	57	-	-	PUNCT
eurjchem-2602	11	58	dimethyl-3h	dimethyl-3h	NOUN
eurjchem-2602	11	59	-	-	PUNCT
eurjchem-2602	11	60	benzimidazol-1	benzimidazol-1	NUM
eurjchem-2602	11	61	-	-	PUNCT
eurjchem-2602	11	62	ium	ium	NOUN
eurjchem-2602	11	63	iodide	iodide	NOUN
eurjchem-2602	11	64	monohydrate	monohydrate	NOUN
eurjchem-2602	11	65	(	(	PUNCT
eurjchem-2602	11	66	dbziw	dbziw	ADV
eurjchem-2602	11	67	)	)	PUNCT
eurjchem-2602	11	68	were	be	AUX
eurjchem-2602	11	69	optimized	optimize	VERB
eurjchem-2602	11	70	using	use	VERB
eurjchem-2602	11	71	the	the	DET
eurjchem-2602	11	72	b3lyp	b3lyp	NOUN
eurjchem-2602	11	73	/	/	SYM
eurjchem-2602	11	74	def2	def2	PROPN
eurjchem-2602	11	75	-	-	PUNCT
eurjchem-2602	11	76	tzvp	tzvp	PROPN
eurjchem-2602	11	77	method	method	NOUN
eurjchem-2602	11	78	due	due	ADP
eurjchem-2602	11	79	to	to	ADP
eurjchem-2602	11	80	the	the	DET
eurjchem-2602	11	81	presence	presence	NOUN
eurjchem-2602	11	82	of	of	ADP
eurjchem-2602	11	83	the	the	DET
eurjchem-2602	11	84	iodine	iodine	NOUN
eurjchem-2602	11	85	ion	ion	NOUN
eurjchem-2602	11	86	.	.	PUNCT
eurjchem-2602	12	1	these	these	DET
eurjchem-2602	12	2	optimizations	optimization	NOUN
eurjchem-2602	12	3	were	be	AUX
eurjchem-2602	12	4	performed	perform	VERB
eurjchem-2602	12	5	using	use	VERB
eurjchem-2602	12	6	gaussian09	gaussian09	NOUN
eurjchem-2602	12	7	software	software	NOUN
eurjchem-2602	12	8	,	,	PUNCT
eurjchem-2602	12	9	and	and	CCONJ
eurjchem-2602	12	10	both	both	DET
eurjchem-2602	12	11	models	model	NOUN
eurjchem-2602	12	12	accurately	accurately	ADV
eurjchem-2602	12	13	predicted	predict	VERB
eurjchem-2602	12	14	the	the	DET
eurjchem-2602	12	15	bond	bond	NOUN
eurjchem-2602	12	16	lengths	length	NOUN
eurjchem-2602	12	17	,	,	PUNCT
eurjchem-2602	12	18	bond	bond	NOUN
eurjchem-2602	12	19	angles	angle	NOUN
eurjchem-2602	12	20	,	,	PUNCT
eurjchem-2602	12	21	and	and	CCONJ
eurjchem-2602	12	22	torsion	torsion	NOUN
eurjchem-2602	12	23	angles	angle	NOUN
eurjchem-2602	12	24	of	of	ADP
eurjchem-2602	12	25	the	the	DET
eurjchem-2602	12	26	molecules	molecule	NOUN
eurjchem-2602	12	27	.	.	PUNCT
eurjchem-2602	13	1	furthermore	furthermore	ADV
eurjchem-2602	13	2	,	,	PUNCT
eurjchem-2602	13	3	dft	dft	PROPN
eurjchem-2602	13	4	calculations	calculation	NOUN
eurjchem-2602	13	5	were	be	AUX
eurjchem-2602	13	6	employed	employ	VERB
eurjchem-2602	13	7	to	to	PART
eurjchem-2602	13	8	determine	determine	VERB
eurjchem-2602	13	9	the	the	DET
eurjchem-2602	13	10	homo	homo	ADJ
eurjchem-2602	13	11	-	-	PUNCT
eurjchem-2602	13	12	lumo	lumo	NOUN
eurjchem-2602	13	13	energy	energy	NOUN
eurjchem-2602	13	14	levels	level	NOUN
eurjchem-2602	13	15	,	,	PUNCT
eurjchem-2602	13	16	energy	energy	NOUN
eurjchem-2602	13	17	gap	gap	NOUN
eurjchem-2602	13	18	,	,	PUNCT
eurjchem-2602	13	19	softness	softness	NOUN
eurjchem-2602	13	20	,	,	PUNCT
eurjchem-2602	13	21	hardness	hardness	NOUN
eurjchem-2602	13	22	,	,	PUNCT
eurjchem-2602	13	23	and	and	CCONJ
eurjchem-2602	13	24	other	other	ADJ
eurjchem-2602	13	25	quantum	quantum	ADJ
eurjchem-2602	13	26	chemical	chemical	NOUN
eurjchem-2602	13	27	parameters	parameter	NOUN
eurjchem-2602	13	28	.	.	PUNCT
eurjchem-2602	14	1	a	a	DET
eurjchem-2602	14	2	strong	strong	ADJ
eurjchem-2602	14	3	intermolecular	intermolecular	ADJ
eurjchem-2602	14	4	hydrogen	hydrogen	NOUN
eurjchem-2602	14	5	bond	bond	NOUN
eurjchem-2602	14	6	interaction	interaction	NOUN
eurjchem-2602	14	7	,	,	PUNCT
eurjchem-2602	14	8	along	along	ADP
eurjchem-2602	14	9	with	with	ADP
eurjchem-2602	14	10	the	the	DET
eurjchem-2602	14	11	aromatic	aromatic	ADJ
eurjchem-2602	14	12	ring	ring	NOUN
eurjchem-2602	14	13	system	system	NOUN
eurjchem-2602	14	14	and	and	CCONJ
eurjchem-2602	14	15	the	the	DET
eurjchem-2602	14	16	fusion	fusion	NOUN
eurjchem-2602	14	17	of	of	ADP
eurjchem-2602	14	18	benzene	benzene	NOUN
eurjchem-2602	14	19	and	and	CCONJ
eurjchem-2602	14	20	imidazole	imidazole	NOUN
eurjchem-2602	14	21	,	,	PUNCT
eurjchem-2602	14	22	constitutes	constitute	VERB
eurjchem-2602	14	23	a	a	DET
eurjchem-2602	14	24	small	small	ADJ
eurjchem-2602	14	25	but	but	CCONJ
eurjchem-2602	14	26	highly	highly	ADV
eurjchem-2602	14	27	significant	significant	ADJ
eurjchem-2602	14	28	structure	structure	NOUN
eurjchem-2602	14	29	that	that	PRON
eurjchem-2602	14	30	has	have	AUX
eurjchem-2602	14	31	been	be	AUX
eurjchem-2602	14	32	confirmed	confirm	VERB
eurjchem-2602	14	33	.	.	PUNCT
eurjchem-2602	15	1	the	the	DET
eurjchem-2602	15	2	o1	o1	NOUN
eurjchem-2602	15	3	atom	atom	NOUN
eurjchem-2602	15	4	of	of	ADP
eurjchem-2602	15	5	the	the	DET
eurjchem-2602	15	6	water	water	NOUN
eurjchem-2602	15	7	molecule	molecule	NOUN
eurjchem-2602	15	8	and	and	CCONJ
eurjchem-2602	15	9	the	the	DET
eurjchem-2602	15	10	iodine	iodine	NOUN
eurjchem-2602	15	11	ion	ion	NOUN
eurjchem-2602	15	12	(	(	PUNCT
eurjchem-2602	15	13	i-	i-	X
eurjchem-2602	15	14	)	)	PUNCT
eurjchem-2602	15	15	participate	participate	VERB
eurjchem-2602	15	16	in	in	ADP
eurjchem-2602	15	17	a	a	DET
eurjchem-2602	15	18	significant	significant	ADJ
eurjchem-2602	15	19	hydrogen	hydrogen	NOUN
eurjchem-2602	15	20	bond	bond	NOUN
eurjchem-2602	15	21	interaction	interaction	NOUN
eurjchem-2602	15	22	(	(	PUNCT
eurjchem-2602	15	23	o	o	NOUN
eurjchem-2602	15	24	-	-	NOUN
eurjchem-2602	15	25	h···i	h···i	NOUN
eurjchem-2602	15	26	)	)	PUNCT
eurjchem-2602	15	27	within	within	ADP
eurjchem-2602	15	28	the	the	DET
eurjchem-2602	15	29	molecular	molecular	ADJ
eurjchem-2602	15	30	packing	packing	NOUN
eurjchem-2602	15	31	of	of	ADP
eurjchem-2602	15	32	dbziw	dbziw	ADV
eurjchem-2602	15	33	.	.	PUNCT
eurjchem-2602	16	1	furthermore	furthermore	ADV
eurjchem-2602	16	2	,	,	PUNCT
eurjchem-2602	16	3	the	the	DET
eurjchem-2602	16	4	network	network	NOUN
eurjchem-2602	16	5	of	of	ADP
eurjchem-2602	16	6	c	c	PROPN
eurjchem-2602	16	7	-	-	PUNCT
eurjchem-2602	16	8	h···o	h···o	PROPN
eurjchem-2602	16	9	hydrogen	hydrogen	NOUN
eurjchem-2602	16	10	bond	bond	NOUN
eurjchem-2602	16	11	contacts	contact	NOUN
eurjchem-2602	16	12	plays	play	VERB
eurjchem-2602	16	13	a	a	DET
eurjchem-2602	16	14	crucial	crucial	ADJ
eurjchem-2602	16	15	role	role	NOUN
eurjchem-2602	16	16	in	in	ADP
eurjchem-2602	16	17	the	the	DET
eurjchem-2602	16	18	stability	stability	NOUN
eurjchem-2602	16	19	of	of	ADP
eurjchem-2602	16	20	the	the	DET
eurjchem-2602	16	21	structure	structure	NOUN
eurjchem-2602	16	22	.	.	PUNCT
eurjchem-2602	17	1	hirshfeld	hirshfeld	PROPN
eurjchem-2602	17	2	surface	surface	NOUN
eurjchem-2602	17	3	analysis	analysis	NOUN
eurjchem-2602	17	4	was	be	AUX
eurjchem-2602	17	5	carried	carry	VERB
eurjchem-2602	17	6	out	out	ADP
eurjchem-2602	17	7	to	to	PART
eurjchem-2602	17	8	identify	identify	VERB
eurjchem-2602	17	9	the	the	DET
eurjchem-2602	17	10	various	various	ADJ
eurjchem-2602	17	11	hydrogen	hydrogen	NOUN
eurjchem-2602	17	12	bonds	bond	NOUN
eurjchem-2602	17	13	.	.	PUNCT
eurjchem-2602	18	1	the	the	DET
eurjchem-2602	18	2	energy	energy	NOUN
eurjchem-2602	18	3	frameworks	framework	NOUN
eurjchem-2602	18	4	for	for	ADP
eurjchem-2602	18	5	the	the	DET
eurjchem-2602	18	6	compounds	compound	NOUN
eurjchem-2602	18	7	were	be	AUX
eurjchem-2602	18	8	constructed	construct	VERB
eurjchem-2602	18	9	through	through	ADP
eurjchem-2602	18	10	based	base	VERB
eurjchem-2602	18	11	on	on	ADP
eurjchem-2602	18	12	intermolecular	intermolecular	ADJ
eurjchem-2602	18	13	interaction	interaction	NOUN
eurjchem-2602	18	14	energies	energy	NOUN
eurjchem-2602	18	15	to	to	PART
eurjchem-2602	18	16	know	know	VERB
eurjchem-2602	18	17	ascertain	ascertain	ADJ
eurjchem-2602	18	18	dominant	dominant	ADJ
eurjchem-2602	18	19	interaction	interaction	NOUN
eurjchem-2602	18	20	energy	energy	NOUN
eurjchem-2602	18	21	involved	involve	VERB
eurjchem-2602	18	22	contributing	contribute	VERB
eurjchem-2602	18	23	to	to	ADP
eurjchem-2602	18	24	the	the	DET
eurjchem-2602	18	25	strength	strength	NOUN
eurjchem-2602	18	26	of	of	ADP
eurjchem-2602	18	27	the	the	DET
eurjchem-2602	18	28	packing	packing	NOUN
eurjchem-2602	18	29	.	.	PUNCT
eurjchem-2602	19	1	molecular	molecular	ADJ
eurjchem-2602	19	2	studies	study	NOUN
eurjchem-2602	19	3	indicated	indicate	VERB
eurjchem-2602	19	4	that	that	SCONJ
eurjchem-2602	19	5	dbziw	dbziw	PROPN
eurjchem-2602	19	6	had	have	AUX
eurjchem-2602	19	7	exhibits	exhibit	NOUN
eurjchem-2602	19	8	high	high	ADJ
eurjchem-2602	19	9	binding	bind	VERB
eurjchem-2602	19	10	affinity	affinity	NOUN
eurjchem-2602	19	11	for	for	ADP
eurjchem-2602	19	12	thyroid	thyroid	NOUN
eurjchem-2602	19	13	-	-	PUNCT
eurjchem-2602	19	14	stimulating	stimulate	VERB
eurjchem-2602	19	15	hormone	hormone	NOUN
eurjchem-2602	19	16	receptor	receptor	NOUN
eurjchem-2602	19	17	(	(	PUNCT
eurjchem-2602	19	18	tshr	tshr	NOUN
eurjchem-2602	19	19	)	)	PUNCT
eurjchem-2602	19	20	protein	protein	NOUN
eurjchem-2602	19	21	targets	target	NOUN
eurjchem-2602	19	22	(	(	PUNCT
eurjchem-2602	19	23	4qt5	4qt5	NUM
eurjchem-2602	19	24	)	)	PUNCT
eurjchem-2602	19	25	.	.	PUNCT
eurjchem-2602	20	1	dft	dft	PROPN
eurjchem-2602	20	2	calculation	calculation	NOUN
eurjchem-2602	20	3	single	single	ADJ
eurjchem-2602	20	4	crystal	crystal	NOUN
eurjchem-2602	20	5	structure	structure	NOUN
eurjchem-2602	20	6	molecular	molecular	ADJ
eurjchem-2602	20	7	docking	docking	NOUN
eurjchem-2602	20	8	study	study	NOUN
eurjchem-2602	20	9	hirshfeld	hirshfeld	VERB
eurjchem-2602	20	10	surface	surface	NOUN
eurjchem-2602	20	11	analysis	analysis	NOUN
eurjchem-2602	20	12	benzimidazole	benzimidazole	PROPN
eurjchem-2602	20	13	derivatives	derivative	VERB
eurjchem-2602	20	14	hydrogen	hydrogen	NOUN
eurjchem-2602	20	15	bond	bond	NOUN
eurjchem-2602	20	16	interactions	interaction	NOUN
eurjchem-2602	20	17	cite	cite	VERB
eurjchem-2602	20	18	this	this	PRON
eurjchem-2602	20	19	:	:	PUNCT
eurjchem-2602	20	20	eur	eur	PROPN
eurjchem-2602	20	21	.	.	PUNCT
eurjchem-2602	21	1	j.	j.	PROPN
eurjchem-2602	21	2	chem	chem	PROPN
eurjchem-2602	21	3	.	.	PUNCT
eurjchem-2602	22	1	2025	2025	NUM
eurjchem-2602	22	2	,	,	PUNCT
eurjchem-2602	22	3	16(1	16(1	NUM
eurjchem-2602	22	4	)	)	PUNCT
eurjchem-2602	22	5	,	,	PUNCT
eurjchem-2602	22	6	7	7	NUM
eurjchem-2602	22	7	-	-	SYM
eurjchem-2602	22	8	19	19	NUM
eurjchem-2602	22	9	journal	journal	NOUN
eurjchem-2602	22	10	website	website	NOUN
eurjchem-2602	22	11	:	:	PUNCT
eurjchem-2602	22	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2602	22	13	1	1	X
eurjchem-2602	22	14	.	.	PUNCT
eurjchem-2602	22	15	introduction	introduction	NOUN
eurjchem-2602	22	16	benzimidazole	benzimidazole	PROPN
eurjchem-2602	22	17	is	be	AUX
eurjchem-2602	22	18	characterized	characterize	VERB
eurjchem-2602	22	19	by	by	ADP
eurjchem-2602	22	20	a	a	DET
eurjchem-2602	22	21	notable	notable	ADJ
eurjchem-2602	22	22	heterocyclic	heterocyclic	ADJ
eurjchem-2602	22	23	structure	structure	NOUN
eurjchem-2602	22	24	that	that	PRON
eurjchem-2602	22	25	is	be	AUX
eurjchem-2602	22	26	frequently	frequently	ADV
eurjchem-2602	22	27	observed	observe	VERB
eurjchem-2602	22	28	in	in	ADP
eurjchem-2602	22	29	biological	biological	ADJ
eurjchem-2602	22	30	systems	system	NOUN
eurjchem-2602	22	31	,	,	PUNCT
eurjchem-2602	22	32	as	as	ADV
eurjchem-2602	22	33	well	well	ADV
eurjchem-2602	22	34	as	as	ADP
eurjchem-2602	22	35	in	in	ADP
eurjchem-2602	22	36	the	the	DET
eurjchem-2602	22	37	naturally	naturally	ADV
eurjchem-2602	22	38	occurring	occur	VERB
eurjchem-2602	22	39	compound	compound	NOUN
eurjchem-2602	22	40	cyanocobalamin	cyanocobalamin	NOUN
eurjchem-2602	22	41	.	.	PUNCT
eurjchem-2602	23	1	its	its	PRON
eurjchem-2602	23	2	distinctive	distinctive	ADJ
eurjchem-2602	23	3	structural	structural	ADJ
eurjchem-2602	23	4	properties	property	NOUN
eurjchem-2602	23	5	and	and	CCONJ
eurjchem-2602	23	6	electron	electron	NOUN
eurjchem-2602	23	7	-	-	PUNCT
eurjchem-2602	23	8	rich	rich	ADJ
eurjchem-2602	23	9	environment	environment	NOUN
eurjchem-2602	23	10	make	make	VERB
eurjchem-2602	23	11	benzimidazole	benzimidazole	PROPN
eurjchem-2602	23	12	a	a	DET
eurjchem-2602	23	13	valuable	valuable	ADJ
eurjchem-2602	23	14	component	component	NOUN
eurjchem-2602	23	15	in	in	ADP
eurjchem-2602	23	16	the	the	DET
eurjchem-2602	23	17	pharmaceutical	pharmaceutical	ADJ
eurjchem-2602	23	18	sector	sector	NOUN
eurjchem-2602	23	19	for	for	ADP
eurjchem-2602	23	20	drug	drug	NOUN
eurjchem-2602	23	21	development	development	NOUN
eurjchem-2602	23	22	.	.	PUNCT
eurjchem-2602	24	1	the	the	DET
eurjchem-2602	24	2	diverse	diverse	ADJ
eurjchem-2602	24	3	pharmacological	pharmacological	ADJ
eurjchem-2602	24	4	attributes	attribute	NOUN
eurjchem-2602	24	5	of	of	ADP
eurjchem-2602	24	6	benzimidazole	benzimidazole	ADJ
eurjchem-2602	24	7	derivatives	derivative	NOUN
eurjchem-2602	24	8	,	,	PUNCT
eurjchem-2602	24	9	which	which	PRON
eurjchem-2602	24	10	encompass	encompass	VERB
eurjchem-2602	24	11	antibacterial	antibacterial	ADJ
eurjchem-2602	24	12	,	,	PUNCT
eurjchem-2602	24	13	antiviral	antiviral	ADJ
eurjchem-2602	24	14	,	,	PUNCT
eurjchem-2602	24	15	antioxidant	antioxidant	NOUN
eurjchem-2602	24	16	,	,	PUNCT
eurjchem-2602	24	17	and	and	CCONJ
eurjchem-2602	24	18	anticancer	anticancer	NOUN
eurjchem-2602	24	19	effects	effect	NOUN
eurjchem-2602	24	20	,	,	PUNCT
eurjchem-2602	24	21	highlight	highlight	VERB
eurjchem-2602	24	22	their	their	PRON
eurjchem-2602	24	23	importance	importance	NOUN
eurjchem-2602	24	24	in	in	ADP
eurjchem-2602	24	25	the	the	DET
eurjchem-2602	24	26	field	field	NOUN
eurjchem-2602	24	27	of	of	ADP
eurjchem-2602	24	28	medical	medical	ADJ
eurjchem-2602	24	29	research	research	NOUN
eurjchem-2602	25	1	[	[	X
eurjchem-2602	25	2	1	1	NUM
eurjchem-2602	25	3	-	-	SYM
eurjchem-2602	25	4	10	10	NUM
eurjchem-2602	25	5	]	]	PUNCT
eurjchem-2602	25	6	.	.	PUNCT
eurjchem-2602	26	1	beyond	beyond	ADP
eurjchem-2602	26	2	their	their	PRON
eurjchem-2602	26	3	biological	biological	ADJ
eurjchem-2602	26	4	applications	application	NOUN
eurjchem-2602	26	5	,	,	PUNCT
eurjchem-2602	26	6	benzimidazole	benzimidazole	ADJ
eurjchem-2602	26	7	derivatives	derivative	NOUN
eurjchem-2602	26	8	have	have	AUX
eurjchem-2602	26	9	garnered	garner	VERB
eurjchem-2602	26	10	significant	significant	ADJ
eurjchem-2602	26	11	interest	interest	NOUN
eurjchem-2602	26	12	in	in	ADP
eurjchem-2602	26	13	the	the	DET
eurjchem-2602	26	14	field	field	NOUN
eurjchem-2602	26	15	of	of	ADP
eurjchem-2602	26	16	materials	material	NOUN
eurjchem-2602	26	17	science	science	NOUN
eurjchem-2602	26	18	.	.	PUNCT
eurjchem-2602	27	1	this	this	PRON
eurjchem-2602	27	2	is	be	AUX
eurjchem-2602	27	3	attributed	attribute	VERB
eurjchem-2602	27	4	to	to	ADP
eurjchem-2602	27	5	their	their	PRON
eurjchem-2602	27	6	ability	ability	NOUN
eurjchem-2602	27	7	to	to	PART
eurjchem-2602	27	8	crystallize	crystallize	VERB
eurjchem-2602	27	9	into	into	ADP
eurjchem-2602	27	10	materials	material	NOUN
eurjchem-2602	27	11	that	that	PRON
eurjchem-2602	27	12	exhibit	exhibit	VERB
eurjchem-2602	27	13	exceptional	exceptional	ADJ
eurjchem-2602	27	14	conductivity	conductivity	NOUN
eurjchem-2602	27	15	and	and	CCONJ
eurjchem-2602	27	16	ferroelectric	ferroelectric	ADJ
eurjchem-2602	27	17	properties	property	NOUN
eurjchem-2602	27	18	,	,	PUNCT
eurjchem-2602	27	19	which	which	PRON
eurjchem-2602	27	20	arise	arise	VERB
eurjchem-2602	27	21	from	from	ADP
eurjchem-2602	27	22	intramolecular	intramolecular	ADJ
eurjchem-2602	27	23	and	and	CCONJ
eurjchem-2602	27	24	intermolecular	intermolecular	ADJ
eurjchem-2602	27	25	hydrogen	hydrogen	NOUN
eurjchem-2602	27	26	bonding	bonding	NOUN
eurjchem-2602	27	27	interactions	interaction	NOUN
eurjchem-2602	27	28	[	[	X
eurjchem-2602	27	29	11	11	NUM
eurjchem-2602	27	30	-	-	SYM
eurjchem-2602	27	31	14	14	NUM
eurjchem-2602	27	32	]	]	PUNCT
eurjchem-2602	27	33	.	.	PUNCT
eurjchem-2602	28	1	additionally	additionally	ADV
eurjchem-2602	28	2	,	,	PUNCT
eurjchem-2602	28	3	these	these	DET
eurjchem-2602	28	4	derivatives	derivative	NOUN
eurjchem-2602	28	5	have	have	VERB
eurjchem-2602	28	6	environmental	environmental	ADJ
eurjchem-2602	28	7	implications	implication	NOUN
eurjchem-2602	28	8	when	when	SCONJ
eurjchem-2602	28	9	utilized	utilize	VERB
eurjchem-2602	28	10	as	as	ADP
eurjchem-2602	28	11	preservatives	preservative	NOUN
eurjchem-2602	28	12	in	in	ADP
eurjchem-2602	28	13	the	the	DET
eurjchem-2602	28	14	manufacturing	manufacturing	NOUN
eurjchem-2602	28	15	processes	process	NOUN
eurjchem-2602	28	16	of	of	ADP
eurjchem-2602	28	17	paints	paint	NOUN
eurjchem-2602	28	18	,	,	PUNCT
eurjchem-2602	28	19	textiles	textile	NOUN
eurjchem-2602	28	20	,	,	PUNCT
eurjchem-2602	28	21	and	and	CCONJ
eurjchem-2602	28	22	paper	paper	NOUN
eurjchem-2602	28	23	,	,	PUNCT
eurjchem-2602	28	24	as	as	ADV
eurjchem-2602	28	25	well	well	ADV
eurjchem-2602	28	26	as	as	ADP
eurjchem-2602	28	27	in	in	ADP
eurjchem-2602	28	28	the	the	DET
eurjchem-2602	28	29	formulation	formulation	NOUN
eurjchem-2602	28	30	of	of	ADP
eurjchem-2602	28	31	biopesticides	biopesticide	NOUN
eurjchem-2602	28	32	aimed	aim	VERB
eurjchem-2602	28	33	at	at	ADP
eurjchem-2602	28	34	addressing	address	VERB
eurjchem-2602	28	35	plant	plant	NOUN
eurjchem-2602	28	36	diseases	disease	NOUN
eurjchem-2602	28	37	.	.	PUNCT
eurjchem-2602	29	1	furthermore	furthermore	ADV
eurjchem-2602	29	2	,	,	PUNCT
eurjchem-2602	29	3	research	research	NOUN
eurjchem-2602	29	4	conducted	conduct	VERB
eurjchem-2602	29	5	by	by	ADP
eurjchem-2602	29	6	walid	walid	PROPN
eurjchem-2602	29	7	ettahiri	ettahiri	PROPN
eurjchem-2602	29	8	et	et	PROPN
eurjchem-2602	29	9	al	al	PROPN
eurjchem-2602	29	10	.	.	PROPN
eurjchem-2602	29	11	has	have	AUX
eurjchem-2602	29	12	shown	show	VERB
eurjchem-2602	29	13	that	that	SCONJ
eurjchem-2602	29	14	these	these	DET
eurjchem-2602	29	15	compounds	compound	NOUN
eurjchem-2602	29	16	possess	possess	VERB
eurjchem-2602	29	17	anticorrosive	anticorrosive	ADJ
eurjchem-2602	29	18	properties	property	NOUN
eurjchem-2602	29	19	and	and	CCONJ
eurjchem-2602	29	20	can	can	AUX
eurjchem-2602	29	21	function	function	VERB
eurjchem-2602	29	22	as	as	ADP
eurjchem-2602	29	23	corrosion	corrosion	NOUN
eurjchem-2602	29	24	inhibitors	inhibitor	NOUN
eurjchem-2602	29	25	for	for	ADP
eurjchem-2602	29	26	mild	mild	ADJ
eurjchem-2602	29	27	steel	steel	NOUN
eurjchem-2602	30	1	[	[	X
eurjchem-2602	30	2	15	15	NUM
eurjchem-2602	30	3	-	-	SYM
eurjchem-2602	30	4	19	19	NUM
eurjchem-2602	30	5	]	]	PUNCT
eurjchem-2602	30	6	.	.	PUNCT
eurjchem-2602	31	1	abstract	abstract	ADJ
eurjchem-2602	31	2	research	research	NOUN
eurjchem-2602	31	3	article	article	NOUN
eurjchem-2602	31	4	keywords	keyword	VERB
eurjchem-2602	31	5	https://dx.doi.org/10.5155/eurjchem.16.1.7-19.2602	https://dx.doi.org/10.5155/eurjchem.16.1.7-19.2602	PROPN
eurjchem-2602	31	6	https://www.eurjchem.com/	https://www.eurjchem.com/	PROPN
eurjchem-2602	31	7	https://dx.doi.org/10.5155/eurjchem.16.1.7-19.2602	https://dx.doi.org/10.5155/eurjchem.16.1.7-19.2602	PROPN
eurjchem-2602	31	8	mailto:sahajg7@gmail.com	mailto:sahajg7@gmail.com	PROPN
eurjchem-2602	31	9	http://www.eurjchem.com/	http://www.eurjchem.com/	PROPN
eurjchem-2602	31	10	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.16.1.7-19.2602&domain=pdf&date_stamp=2025-03-31	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.16.1.7-19.2602&domain=pdf&date_stamp=2025-03-31	PROPN
eurjchem-2602	31	11	8	8	NUM
eurjchem-2602	31	12	gandhi	gandhi	PROPN
eurjchem-2602	31	13	et	et	PROPN
eurjchem-2602	31	14	al	al	PROPN
eurjchem-2602	31	15	.	.	PUNCT
eurjchem-2602	31	16	/	/	SYM
eurjchem-2602	31	17	european	european	PROPN
eurjchem-2602	31	18	journal	journal	PROPN
eurjchem-2602	31	19	of	of	ADP
eurjchem-2602	31	20	chemistry	chemistry	NOUN
eurjchem-2602	31	21	16	16	NUM
eurjchem-2602	31	22	(	(	PUNCT
eurjchem-2602	31	23	1	1	NUM
eurjchem-2602	31	24	)	)	PUNCT
eurjchem-2602	31	25	(	(	PUNCT
eurjchem-2602	31	26	2025	2025	NUM
eurjchem-2602	31	27	)	)	PUNCT
eurjchem-2602	31	28	7	7	NUM
eurjchem-2602	31	29	-	-	SYM
eurjchem-2602	31	30	19	19	NUM
eurjchem-2602	31	31	2025	2025	NUM
eurjchem-2602	31	32	–	–	PUNCT
eurjchem-2602	31	33	european	european	ADJ
eurjchem-2602	31	34	journal	journal	NOUN
eurjchem-2602	31	35	of	of	ADP
eurjchem-2602	31	36	chemistry	chemistry	NOUN
eurjchem-2602	31	37	–	–	PUNCT
eurjchem-2602	31	38	cc	cc	NOUN
eurjchem-2602	31	39	by	by	ADP
eurjchem-2602	31	40	nc	nc	PROPN
eurjchem-2602	31	41	–	–	PUNCT
eurjchem-2602	31	42	doi	doi	PROPN
eurjchem-2602	31	43	:	:	PUNCT
eurjchem-2602	31	44	10.5155	10.5155	NUM
eurjchem-2602	31	45	/	/	SYM
eurjchem-2602	31	46	eurjchem.16.1.7	eurjchem.16.1.7	PROPN
eurjchem-2602	31	47	-	-	PUNCT
eurjchem-2602	31	48	19.2602	19.2602	NUM
eurjchem-2602	31	49	table	table	NOUN
eurjchem-2602	31	50	1	1	NUM
eurjchem-2602	31	51	.	.	PUNCT
eurjchem-2602	31	52	crystal	crystal	NOUN
eurjchem-2602	31	53	data	datum	NOUN
eurjchem-2602	31	54	and	and	CCONJ
eurjchem-2602	31	55	structure	structure	NOUN
eurjchem-2602	31	56	refinement	refinement	NOUN
eurjchem-2602	31	57	parameters	parameter	NOUN
eurjchem-2602	31	58	for	for	ADP
eurjchem-2602	31	59	the	the	DET
eurjchem-2602	31	60	title	title	NOUN
eurjchem-2602	31	61	compound	compound	NOUN
eurjchem-2602	31	62	.	.	PUNCT
eurjchem-2602	32	1	empirical	empirical	ADJ
eurjchem-2602	32	2	formula	formula	NOUN
eurjchem-2602	32	3	c9h13n2io	c9h13n2io	PROPN
eurjchem-2602	32	4	formula	formula	VERB
eurjchem-2602	32	5	weight	weight	NOUN
eurjchem-2602	32	6	(	(	PUNCT
eurjchem-2602	32	7	g	g	NOUN
eurjchem-2602	32	8	/	/	SYM
eurjchem-2602	32	9	mol	mol	NOUN
eurjchem-2602	32	10	)	)	PUNCT
eurjchem-2602	32	11	292.11	292.11	NUM
eurjchem-2602	32	12	temperature	temperature	NOUN
eurjchem-2602	32	13	(	(	PUNCT
eurjchem-2602	32	14	k	k	NOUN
eurjchem-2602	32	15	)	)	PUNCT
eurjchem-2602	32	16	298(2	298(2	NUM
eurjchem-2602	32	17	)	)	PUNCT
eurjchem-2602	32	18	wavelength	wavelength	NOUN
eurjchem-2602	32	19	mokα	mokα	NOUN
eurjchem-2602	32	20	(	(	PUNCT
eurjchem-2602	32	21	0.71073	0.71073	NUM
eurjchem-2602	32	22	å	å	NOUN
eurjchem-2602	32	23	)	)	PUNCT
eurjchem-2602	32	24	crystal	crystal	NOUN
eurjchem-2602	32	25	system	system	NOUN
eurjchem-2602	32	26	monoclinic	monoclinic	ADJ
eurjchem-2602	32	27	space	space	NOUN
eurjchem-2602	32	28	group	group	NOUN
eurjchem-2602	32	29	p21	p21	PROPN
eurjchem-2602	32	30	/	/	SYM
eurjchem-2602	32	31	c	c	PROPN
eurjchem-2602	32	32	crystal	crystal	NOUN
eurjchem-2602	32	33	size	size	NOUN
eurjchem-2602	33	1	0.08	0.08	NUM
eurjchem-2602	33	2	×	×	NOUN
eurjchem-2602	33	3	0.04	0.04	NUM
eurjchem-2602	33	4	×	×	NOUN
eurjchem-2602	33	5	0.03	0.03	NUM
eurjchem-2602	33	6	mm3	mm3	NOUN
eurjchem-2602	33	7	a	a	ADP
eurjchem-2602	33	8	,	,	PUNCT
eurjchem-2602	33	9	(	(	PUNCT
eurjchem-2602	33	10	å	å	NOUN
eurjchem-2602	33	11	)	)	PUNCT
eurjchem-2602	33	12	8.9323(4	8.9323(4	NOUN
eurjchem-2602	33	13	)	)	PUNCT
eurjchem-2602	33	14	b	b	NOUN
eurjchem-2602	33	15	,	,	PUNCT
eurjchem-2602	33	16	(	(	PUNCT
eurjchem-2602	33	17	å	å	NOUN
eurjchem-2602	33	18	)	)	PUNCT
eurjchem-2602	33	19	7.1654(3	7.1654(3	NUM
eurjchem-2602	33	20	)	)	PUNCT
eurjchem-2602	34	1	c	c	X
eurjchem-2602	34	2	,	,	PUNCT
eurjchem-2602	34	3	(	(	PUNCT
eurjchem-2602	34	4	å	å	NOUN
eurjchem-2602	34	5	)	)	PUNCT
eurjchem-2602	34	6	17.6425(8	17.6425(8	NUM
eurjchem-2602	34	7	)	)	PUNCT
eurjchem-2602	34	8	β	β	X
eurjchem-2602	34	9	(	(	PUNCT
eurjchem-2602	34	10	°	°	PROPN
eurjchem-2602	34	11	)	)	PUNCT
eurjchem-2602	34	12	101.432(2	101.432(2	NUM
eurjchem-2602	34	13	)	)	PUNCT
eurjchem-2602	34	14	volume	volume	NOUN
eurjchem-2602	34	15	(	(	PUNCT
eurjchem-2602	34	16	å3	å3	PROPN
eurjchem-2602	34	17	)	)	PUNCT
eurjchem-2602	34	18	1106.78(8	1106.78(8	NUM
eurjchem-2602	34	19	)	)	PUNCT
eurjchem-2602	34	20	z	z	NOUN
eurjchem-2602	34	21	4	4	NUM
eurjchem-2602	34	22	ρcalc	ρcalc	NOUN
eurjchem-2602	34	23	(	(	PUNCT
eurjchem-2602	34	24	g	g	NOUN
eurjchem-2602	34	25	/	/	SYM
eurjchem-2602	34	26	cm3	cm3	NOUN
eurjchem-2602	34	27	)	)	PUNCT
eurjchem-2602	34	28	1.753	1.753	NUM
eurjchem-2602	34	29	f(000	f(000	NOUN
eurjchem-2602	34	30	)	)	PUNCT
eurjchem-2602	34	31	568	568	NUM
eurjchem-2602	34	32	θ	θ	NOUN
eurjchem-2602	34	33	range	range	NOUN
eurjchem-2602	34	34	for	for	ADP
eurjchem-2602	34	35	data	datum	NOUN
eurjchem-2602	34	36	collection	collection	NOUN
eurjchem-2602	34	37	2.326	2.326	NUM
eurjchem-2602	34	38	to	to	ADP
eurjchem-2602	34	39	27.756	27.756	NUM
eurjchem-2602	34	40	°	°	NOUN
eurjchem-2602	34	41	index	index	NOUN
eurjchem-2602	34	42	ranges	range	VERB
eurjchem-2602	34	43	-11	-11	PUNCT
eurjchem-2602	34	44	≤	≤	NUM
eurjchem-2602	34	45	h	h	NOUN
eurjchem-2602	34	46	≤	≤	NOUN
eurjchem-2602	34	47	11	11	NUM
eurjchem-2602	34	48	;	;	PUNCT
eurjchem-2602	34	49	-9	-9	PROPN
eurjchem-2602	34	50	≤	≤	NUM
eurjchem-2602	35	1	k	k	X
eurjchem-2602	35	2	≤	≤	NUM
eurjchem-2602	35	3	6	6	NUM
eurjchem-2602	35	4	;	;	PUNCT
eurjchem-2602	35	5	-21	-21	NUM
eurjchem-2602	35	6	≤	≤	NUM
eurjchem-2602	35	7	l	l	NOUN
eurjchem-2602	35	8	≤	≤	NUM
eurjchem-2602	35	9	22	22	NUM
eurjchem-2602	35	10	reflections	reflection	NOUN
eurjchem-2602	35	11	collected	collect	VERB
eurjchem-2602	35	12	/	/	SYM
eurjchem-2602	35	13	unique	unique	ADJ
eurjchem-2602	35	14	[	[	X
eurjchem-2602	35	15	r(int	r(int	NOUN
eurjchem-2602	35	16	)	)	PUNCT
eurjchem-2602	35	17	]	]	PUNCT
eurjchem-2602	35	18	9452/	9452/	NUM
eurjchem-2602	35	19	2128	2128	NUM
eurjchem-2602	35	20	[	[	X
eurjchem-2602	35	21	0.024	0.024	NUM
eurjchem-2602	35	22	]	]	X
eurjchem-2602	35	23	completeness	completeness	NOUN
eurjchem-2602	35	24	to	to	ADP
eurjchem-2602	35	25	θ	θ	PROPN
eurjchem-2602	35	26	max	max	PROPN
eurjchem-2602	35	27	(	(	PUNCT
eurjchem-2602	35	28	%	%	INTJ
eurjchem-2602	35	29	)	)	PUNCT
eurjchem-2602	35	30	0.999	0.999	NUM
eurjchem-2602	35	31	refinement	refinement	NOUN
eurjchem-2602	35	32	method	method	NOUN
eurjchem-2602	35	33	full	full	ADJ
eurjchem-2602	35	34	matrix	matrix	NOUN
eurjchem-2602	35	35	least	least	ADV
eurjchem-2602	35	36	square	square	NOUN
eurjchem-2602	35	37	of	of	ADP
eurjchem-2602	35	38	|f|2	|f|2	PROPN
eurjchem-2602	35	39	data	datum	NOUN
eurjchem-2602	35	40	/	/	SYM
eurjchem-2602	35	41	restrains	restrain	VERB
eurjchem-2602	35	42	/	/	SYM
eurjchem-2602	35	43	parameters	parameter	NOUN
eurjchem-2602	35	44	2128/7/	2128/7/	NUM
eurjchem-2602	35	45	128	128	NUM
eurjchem-2602	35	46	goodness	goodness	NOUN
eurjchem-2602	35	47	-	-	PUNCT
eurjchem-2602	35	48	of	of	ADP
eurjchem-2602	35	49	-	-	PUNCT
eurjchem-2602	35	50	fit	fit	NOUN
eurjchem-2602	35	51	on	on	ADP
eurjchem-2602	35	52	f2	f2	PROPN
eurjchem-2602	35	53	1.077	1.077	NUM
eurjchem-2602	35	54	final	final	ADJ
eurjchem-2602	35	55	r	r	NOUN
eurjchem-2602	35	56	indexes	index	NOUN
eurjchem-2602	36	1	[	[	X
eurjchem-2602	36	2	i≥2σ	i≥2σ	X
eurjchem-2602	36	3	(	(	PUNCT
eurjchem-2602	36	4	i	i	NOUN
eurjchem-2602	36	5	)	)	PUNCT
eurjchem-2602	36	6	]	]	PUNCT
eurjchem-2602	36	7	r1	r1	PROPN
eurjchem-2602	36	8	=	=	SYM
eurjchem-2602	36	9	0.0311	0.0311	NUM
eurjchem-2602	36	10	,	,	PUNCT
eurjchem-2602	36	11	wr2	wr2	PROPN
eurjchem-2602	36	12	=	=	PROPN
eurjchem-2602	36	13	0.0858	0.0858	NUM
eurjchem-2602	36	14	final	final	ADJ
eurjchem-2602	36	15	r	r	NOUN
eurjchem-2602	36	16	indexes	index	NOUN
eurjchem-2602	36	17	[	[	X
eurjchem-2602	36	18	all	all	DET
eurjchem-2602	36	19	data	datum	NOUN
eurjchem-2602	36	20	]	]	PUNCT
eurjchem-2602	36	21	r1	r1	PROPN
eurjchem-2602	36	22	=	=	PUNCT
eurjchem-2602	36	23	0.0387	0.0387	NUM
eurjchem-2602	36	24	,	,	PUNCT
eurjchem-2602	36	25	wr2	wr2	PROPN
eurjchem-2602	36	26	=	=	PROPN
eurjchem-2602	36	27	0.0912	0.0912	NUM
eurjchem-2602	36	28	largest	large	ADJ
eurjchem-2602	36	29	diff	diff	NOUN
eurjchem-2602	36	30	.	.	PUNCT
eurjchem-2602	37	1	peak	peak	PROPN
eurjchem-2602	37	2	/	/	SYM
eurjchem-2602	37	3	hole	hole	NOUN
eurjchem-2602	37	4	(	(	PUNCT
eurjchem-2602	37	5	e.å-3	e.å-3	PROPN
eurjchem-2602	37	6	)	)	PUNCT
eurjchem-2602	37	7	1.11	1.11	NUM
eurjchem-2602	37	8	and	and	CCONJ
eurjchem-2602	37	9	-0.50	-0.50	NUM
eurjchem-2602	37	10	software	software	NOUN
eurjchem-2602	37	11	used	use	VERB
eurjchem-2602	37	12	to	to	ADP
eurjchem-2602	37	13	data	datum	NOUN
eurjchem-2602	37	14	collection	collection	NOUN
eurjchem-2602	37	15	bruker	bruker	PROPN
eurjchem-2602	37	16	kappa	kappa	PROPN
eurjchem-2602	37	17	apex	apex	PROPN
eurjchem-2602	37	18	-	-	PUNCT
eurjchem-2602	37	19	ii	ii	PROPN
eurjchem-2602	37	20	software	software	NOUN
eurjchem-2602	37	21	used	use	VERB
eurjchem-2602	37	22	to	to	PART
eurjchem-2602	37	23	cell	cell	NOUN
eurjchem-2602	37	24	refinement	refinement	NOUN
eurjchem-2602	37	25	bruker	bruker	PROPN
eurjchem-2602	37	26	saint	saint	PROPN
eurjchem-2602	37	27	software	software	PROPN
eurjchem-2602	37	28	used	use	VERB
eurjchem-2602	37	29	to	to	PART
eurjchem-2602	37	30	solve	solve	VERB
eurjchem-2602	37	31	the	the	DET
eurjchem-2602	37	32	structure	structure	NOUN
eurjchem-2602	37	33	shelxs	shelx	VERB
eurjchem-2602	37	34	97	97	NUM
eurjchem-2602	37	35	software	software	NOUN
eurjchem-2602	37	36	used	use	VERB
eurjchem-2602	37	37	to	to	PART
eurjchem-2602	37	38	refine	refine	VERB
eurjchem-2602	37	39	the	the	DET
eurjchem-2602	37	40	structure	structure	NOUN
eurjchem-2602	37	41	shelxl	shelxl	VERB
eurjchem-2602	37	42	2016	2016	NUM
eurjchem-2602	38	1	n	n	NOUN
eurjchem-2602	38	2	h	h	NOUN
eurjchem-2602	38	3	n	n	ADV
eurjchem-2602	38	4	h3c	h3c	VERB
eurjchem-2602	39	1	i	i	PRON
eurjchem-2602	39	2	n+	n+	ADP
eurjchem-2602	39	3	n	n	CCONJ
eurjchem-2602	39	4	i	i	PRON
eurjchem-2602	39	5	thf	thf	NOUN
eurjchem-2602	39	6	,	,	PUNCT
eurjchem-2602	39	7	khco3	khco3	NOUN
eurjchem-2602	39	8	70oc	70oc	ADJ
eurjchem-2602	39	9	2	2	NUM
eurjchem-2602	39	10	h2o	h2o	PROPN
eurjchem-2602	39	11	scheme	scheme	NOUN
eurjchem-2602	39	12	1	1	NUM
eurjchem-2602	39	13	.	.	PUNCT
eurjchem-2602	40	1	the	the	DET
eurjchem-2602	40	2	reaction	reaction	NOUN
eurjchem-2602	40	3	scheme	scheme	NOUN
eurjchem-2602	40	4	of	of	ADP
eurjchem-2602	40	5	the	the	DET
eurjchem-2602	40	6	compound	compound	NOUN
eurjchem-2602	40	7	1,3	1,3	NUM
eurjchem-2602	40	8	-	-	PUNCT
eurjchem-2602	40	9	dimethyl-3h	dimethyl-3h	NOUN
eurjchem-2602	40	10	-	-	PUNCT
eurjchem-2602	40	11	benzimidazol-1	benzimidazol-1	NUM
eurjchem-2602	40	12	-	-	PUNCT
eurjchem-2602	40	13	ium	ium	NOUN
eurjchem-2602	40	14	iodide	iodide	NOUN
eurjchem-2602	40	15	monohydrate	monohydrate	NOUN
eurjchem-2602	40	16	.	.	PUNCT
eurjchem-2602	41	1	density	density	NOUN
eurjchem-2602	41	2	functional	functional	ADJ
eurjchem-2602	41	3	theory	theory	NOUN
eurjchem-2602	41	4	(	(	PUNCT
eurjchem-2602	41	5	dft	dft	NOUN
eurjchem-2602	41	6	)	)	PUNCT
eurjchem-2602	41	7	has	have	AUX
eurjchem-2602	41	8	emerged	emerge	VERB
eurjchem-2602	41	9	as	as	ADP
eurjchem-2602	41	10	a	a	DET
eurjchem-2602	41	11	pivotal	pivotal	ADJ
eurjchem-2602	41	12	approach	approach	NOUN
eurjchem-2602	41	13	for	for	ADP
eurjchem-2602	41	14	exploring	explore	VERB
eurjchem-2602	41	15	the	the	DET
eurjchem-2602	41	16	relationship	relationship	NOUN
eurjchem-2602	41	17	between	between	ADP
eurjchem-2602	41	18	the	the	DET
eurjchem-2602	41	19	chemical	chemical	ADJ
eurjchem-2602	41	20	and	and	CCONJ
eurjchem-2602	41	21	structural	structural	ADJ
eurjchem-2602	41	22	properties	property	NOUN
eurjchem-2602	41	23	of	of	ADP
eurjchem-2602	41	24	small	small	ADJ
eurjchem-2602	41	25	molecules	molecule	NOUN
eurjchem-2602	41	26	[	[	X
eurjchem-2602	41	27	20,21	20,21	NUM
eurjchem-2602	41	28	]	]	PUNCT
eurjchem-2602	41	29	.	.	PUNCT
eurjchem-2602	42	1	in	in	ADP
eurjchem-2602	42	2	this	this	DET
eurjchem-2602	42	3	context	context	NOUN
eurjchem-2602	42	4	,	,	PUNCT
eurjchem-2602	42	5	and	and	CCONJ
eurjchem-2602	42	6	as	as	ADP
eurjchem-2602	42	7	part	part	NOUN
eurjchem-2602	42	8	of	of	ADP
eurjchem-2602	42	9	our	our	PRON
eurjchem-2602	42	10	ongoing	ongoing	ADJ
eurjchem-2602	42	11	research	research	NOUN
eurjchem-2602	42	12	[	[	X
eurjchem-2602	42	13	22	22	NUM
eurjchem-2602	42	14	-	-	SYM
eurjchem-2602	42	15	26	26	NUM
eurjchem-2602	42	16	]	]	PUNCT
eurjchem-2602	42	17	on	on	ADP
eurjchem-2602	42	18	x	x	ADJ
eurjchem-2602	42	19	-	-	NOUN
eurjchem-2602	42	20	ray	ray	NOUN
eurjchem-2602	42	21	crystallography	crystallography	NOUN
eurjchem-2602	42	22	and	and	CCONJ
eurjchem-2602	42	23	computational	computational	ADJ
eurjchem-2602	42	24	chemical	chemical	NOUN
eurjchem-2602	42	25	analyses	analysis	NOUN
eurjchem-2602	42	26	of	of	ADP
eurjchem-2602	42	27	synthesized	synthesize	VERB
eurjchem-2602	42	28	compounds	compound	NOUN
eurjchem-2602	42	29	,	,	PUNCT
eurjchem-2602	42	30	we	we	PRON
eurjchem-2602	42	31	present	present	VERB
eurjchem-2602	42	32	the	the	DET
eurjchem-2602	42	33	synthesis	synthesis	NOUN
eurjchem-2602	42	34	of	of	ADP
eurjchem-2602	42	35	a	a	DET
eurjchem-2602	42	36	notable	notable	ADJ
eurjchem-2602	42	37	new	new	ADJ
eurjchem-2602	42	38	derivative	derivative	NOUN
eurjchem-2602	42	39	of	of	ADP
eurjchem-2602	42	40	benzimidazole	benzimidazole	NOUN
eurjchem-2602	42	41	,	,	PUNCT
eurjchem-2602	42	42	specifically	specifically	ADV
eurjchem-2602	42	43	1,3	1,3	NUM
eurjchem-2602	42	44	-	-	PUNCT
eurjchem-2602	42	45	dimethyl-3hbenzimidazol-1	dimethyl-3hbenzimidazol-1	NOUN
eurjchem-2602	42	46	-	-	PUNCT
eurjchem-2602	42	47	ium	ium	NOUN
eurjchem-2602	42	48	iodide	iodide	NOUN
eurjchem-2602	42	49	monohydrate	monohydrate	NOUN
eurjchem-2602	43	1	[	[	X
eurjchem-2602	43	2	dbziw	dbziw	ADV
eurjchem-2602	43	3	]	]	X
eurjchem-2602	43	4	.	.	PUNCT
eurjchem-2602	44	1	this	this	DET
eurjchem-2602	44	2	study	study	NOUN
eurjchem-2602	44	3	emphasizes	emphasize	VERB
eurjchem-2602	44	4	the	the	DET
eurjchem-2602	44	5	spectroscopic	spectroscopic	ADJ
eurjchem-2602	44	6	characterization	characterization	NOUN
eurjchem-2602	44	7	of	of	ADP
eurjchem-2602	44	8	the	the	DET
eurjchem-2602	44	9	compound	compound	NOUN
eurjchem-2602	44	10	through	through	ADP
eurjchem-2602	44	11	single	single	ADJ
eurjchem-2602	44	12	crystal	crystal	NOUN
eurjchem-2602	44	13	x	x	PROPN
eurjchem-2602	44	14	-	-	NOUN
eurjchem-2602	44	15	ray	ray	NOUN
eurjchem-2602	44	16	diffraction	diffraction	NOUN
eurjchem-2602	44	17	.	.	PUNCT
eurjchem-2602	45	1	we	we	PRON
eurjchem-2602	45	2	provide	provide	VERB
eurjchem-2602	45	3	a	a	DET
eurjchem-2602	45	4	comparative	comparative	ADJ
eurjchem-2602	45	5	analysis	analysis	NOUN
eurjchem-2602	45	6	of	of	ADP
eurjchem-2602	45	7	the	the	DET
eurjchem-2602	45	8	x	x	ADJ
eurjchem-2602	45	9	-	-	NOUN
eurjchem-2602	45	10	ray	ray	NOUN
eurjchem-2602	45	11	diffraction	diffraction	NOUN
eurjchem-2602	45	12	data	datum	NOUN
eurjchem-2602	45	13	obtained	obtain	VERB
eurjchem-2602	45	14	from	from	ADP
eurjchem-2602	45	15	the	the	DET
eurjchem-2602	45	16	single	single	ADJ
eurjchem-2602	45	17	crystal	crystal	NOUN
eurjchem-2602	45	18	(	(	PUNCT
eurjchem-2602	45	19	experimental	experimental	ADJ
eurjchem-2602	45	20	)	)	PUNCT
eurjchem-2602	45	21	alongside	alongside	ADP
eurjchem-2602	45	22	the	the	DET
eurjchem-2602	45	23	theoretical	theoretical	ADJ
eurjchem-2602	45	24	results	result	NOUN
eurjchem-2602	45	25	derived	derive	VERB
eurjchem-2602	45	26	from	from	ADP
eurjchem-2602	45	27	quantum	quantum	ADJ
eurjchem-2602	45	28	chemical	chemical	NOUN
eurjchem-2602	45	29	calculations	calculation	NOUN
eurjchem-2602	45	30	conducted	conduct	VERB
eurjchem-2602	45	31	using	use	VERB
eurjchem-2602	45	32	gaussian	gaussian	ADJ
eurjchem-2602	45	33	software	software	NOUN
eurjchem-2602	45	34	,	,	PUNCT
eurjchem-2602	45	35	which	which	PRON
eurjchem-2602	45	36	elucidate	elucidate	VERB
eurjchem-2602	45	37	the	the	DET
eurjchem-2602	45	38	electronic	electronic	ADJ
eurjchem-2602	45	39	structure	structure	NOUN
eurjchem-2602	45	40	of	of	ADP
eurjchem-2602	45	41	the	the	DET
eurjchem-2602	45	42	compound	compound	NOUN
eurjchem-2602	45	43	(	(	PUNCT
eurjchem-2602	45	44	theoretical	theoretical	ADJ
eurjchem-2602	45	45	)	)	PUNCT
eurjchem-2602	45	46	.	.	PUNCT
eurjchem-2602	46	1	to	to	PART
eurjchem-2602	46	2	further	far	ADV
eurjchem-2602	46	3	investigate	investigate	VERB
eurjchem-2602	46	4	the	the	DET
eurjchem-2602	46	5	electronic	electronic	ADJ
eurjchem-2602	46	6	and	and	CCONJ
eurjchem-2602	46	7	structural	structural	ADJ
eurjchem-2602	46	8	properties	property	NOUN
eurjchem-2602	46	9	of	of	ADP
eurjchem-2602	46	10	the	the	DET
eurjchem-2602	46	11	molecules	molecule	NOUN
eurjchem-2602	46	12	,	,	PUNCT
eurjchem-2602	46	13	we	we	PRON
eurjchem-2602	46	14	conducted	conduct	VERB
eurjchem-2602	46	15	calculations	calculation	NOUN
eurjchem-2602	46	16	of	of	ADP
eurjchem-2602	46	17	the	the	DET
eurjchem-2602	46	18	highest	high	ADJ
eurjchem-2602	46	19	occupied	occupy	VERB
eurjchem-2602	46	20	molecular	molecular	ADJ
eurjchem-2602	46	21	orbital	orbital	ADJ
eurjchem-2602	46	22	(	(	PUNCT
eurjchem-2602	46	23	homo	homo	NOUN
eurjchem-2602	46	24	)	)	PUNCT
eurjchem-2602	46	25	and	and	CCONJ
eurjchem-2602	46	26	lowest	low	ADJ
eurjchem-2602	46	27	unoccupied	unoccupied	ADJ
eurjchem-2602	46	28	molecular	molecular	ADJ
eurjchem-2602	46	29	orbital	orbital	ADJ
eurjchem-2602	46	30	(	(	PUNCT
eurjchem-2602	46	31	lumo	lumo	NOUN
eurjchem-2602	46	32	)	)	PUNCT
eurjchem-2602	46	33	,	,	PUNCT
eurjchem-2602	46	34	as	as	ADV
eurjchem-2602	46	35	well	well	ADV
eurjchem-2602	46	36	as	as	ADP
eurjchem-2602	46	37	hirshfeld	hirshfeld	PROPN
eurjchem-2602	46	38	surface	surface	NOUN
eurjchem-2602	46	39	analysis	analysis	NOUN
eurjchem-2602	46	40	employing	employ	VERB
eurjchem-2602	46	41	threedimensional	threedimensional	ADJ
eurjchem-2602	46	42	energy	energy	NOUN
eurjchem-2602	46	43	frameworks	framework	NOUN
eurjchem-2602	46	44	.	.	PUNCT
eurjchem-2602	47	1	2	2	X
eurjchem-2602	47	2	.	.	X
eurjchem-2602	47	3	experimental	experimental	ADJ
eurjchem-2602	47	4	2.1	2.1	NUM
eurjchem-2602	47	5	.	.	PUNCT
eurjchem-2602	47	6	materials	material	NOUN
eurjchem-2602	47	7	and	and	CCONJ
eurjchem-2602	47	8	instrumentations	instrumentation	NOUN
eurjchem-2602	47	9	all	all	DET
eurjchem-2602	47	10	reagents	reagent	NOUN
eurjchem-2602	47	11	and	and	CCONJ
eurjchem-2602	47	12	solvents	solvent	NOUN
eurjchem-2602	47	13	were	be	AUX
eurjchem-2602	47	14	purchased	purchase	VERB
eurjchem-2602	47	15	from	from	ADP
eurjchem-2602	47	16	sigmaaldrich	sigmaaldrich	NOUN
eurjchem-2602	47	17	and	and	CCONJ
eurjchem-2602	47	18	alfa	alfa	PROPN
eurjchem-2602	47	19	-	-	PUNCT
eurjchem-2602	47	20	aesar	aesar	PROPN
eurjchem-2602	47	21	.	.	PUNCT
eurjchem-2602	48	1	all	all	DET
eurjchem-2602	48	2	solvents	solvent	NOUN
eurjchem-2602	48	3	were	be	AUX
eurjchem-2602	48	4	distilled	distil	VERB
eurjchem-2602	48	5	off	off	ADP
eurjchem-2602	48	6	and	and	CCONJ
eurjchem-2602	48	7	properly	properly	ADV
eurjchem-2602	48	8	dried	dry	VERB
eurjchem-2602	48	9	before	before	ADP
eurjchem-2602	48	10	use	use	NOUN
eurjchem-2602	48	11	.	.	PUNCT
eurjchem-2602	49	1	the	the	DET
eurjchem-2602	49	2	melting	melting	NOUN
eurjchem-2602	49	3	points	point	NOUN
eurjchem-2602	49	4	were	be	AUX
eurjchem-2602	49	5	determined	determine	VERB
eurjchem-2602	49	6	on	on	ADP
eurjchem-2602	49	7	an	an	DET
eurjchem-2602	49	8	electrothermal	electrothermal	ADJ
eurjchem-2602	49	9	melting	melting	NOUN
eurjchem-2602	49	10	point	point	NOUN
eurjchem-2602	49	11	apparatus	apparatus	NOUN
eurjchem-2602	49	12	.	.	PUNCT
eurjchem-2602	50	1	the	the	DET
eurjchem-2602	50	2	completion	completion	NOUN
eurjchem-2602	50	3	of	of	ADP
eurjchem-2602	50	4	the	the	DET
eurjchem-2602	50	5	reaction	reaction	NOUN
eurjchem-2602	50	6	and	and	CCONJ
eurjchem-2602	50	7	the	the	DET
eurjchem-2602	50	8	purity	purity	NOUN
eurjchem-2602	50	9	of	of	ADP
eurjchem-2602	50	10	all	all	DET
eurjchem-2602	50	11	compounds	compound	NOUN
eurjchem-2602	50	12	were	be	AUX
eurjchem-2602	50	13	verified	verify	VERB
eurjchem-2602	50	14	on	on	ADP
eurjchem-2602	50	15	aluminum	aluminum	NOUN
eurjchem-2602	50	16	-	-	PUNCT
eurjchem-2602	50	17	coated	coat	VERB
eurjchem-2602	50	18	tlc	tlc	NOUN
eurjchem-2602	50	19	plates	plate	NOUN
eurjchem-2602	50	20	60f245	60f245	PROPN
eurjchem-2602	50	21	(	(	PUNCT
eurjchem-2602	50	22	e.	e.	PROPN
eurjchem-2602	50	23	merck	merck	PROPN
eurjchem-2602	50	24	)	)	PUNCT
eurjchem-2602	50	25	using	use	VERB
eurjchem-2602	50	26	n	n	CCONJ
eurjchem-2602	50	27	-	-	PUNCT
eurjchem-2602	50	28	hexane	hexane	NOUN
eurjchem-2602	50	29	:	:	PUNCT
eurjchem-2602	50	30	ethyl	ethyl	PROPN
eurjchem-2602	50	31	acetate	acetate	PROPN
eurjchem-2602	50	32	(	(	PUNCT
eurjchem-2602	50	33	7.5:2.5	7.5:2.5	NUM
eurjchem-2602	50	34	,	,	PUNCT
eurjchem-2602	50	35	v	v	NOUN
eurjchem-2602	50	36	:	:	SYM
eurjchem-2602	50	37	v	v	NOUN
eurjchem-2602	50	38	)	)	PUNCT
eurjchem-2602	50	39	as	as	ADP
eurjchem-2602	50	40	mobile	mobile	ADJ
eurjchem-2602	50	41	phase	phase	NOUN
eurjchem-2602	50	42	and	and	CCONJ
eurjchem-2602	50	43	visualized	visualize	VERB
eurjchem-2602	50	44	under	under	ADP
eurjchem-2602	50	45	ultraviolet	ultraviolet	NOUN
eurjchem-2602	50	46	(	(	PUNCT
eurjchem-2602	50	47	uv	uv	NOUN
eurjchem-2602	50	48	)	)	PUNCT
eurjchem-2602	50	49	light	light	NOUN
eurjchem-2602	50	50	,	,	PUNCT
eurjchem-2602	50	51	or	or	CCONJ
eurjchem-2602	50	52	iodine	iodine	NOUN
eurjchem-2602	50	53	vapor	vapor	NOUN
eurjchem-2602	50	54	.	.	PUNCT
eurjchem-2602	51	1	elemental	elemental	ADJ
eurjchem-2602	51	2	analysis	analysis	NOUN
eurjchem-2602	51	3	(	(	PUNCT
eurjchem-2602	51	4	%	%	INTJ
eurjchem-2602	51	5	c	c	X
eurjchem-2602	51	6	,	,	PUNCT
eurjchem-2602	51	7	h	h	NOUN
eurjchem-2602	51	8	,	,	PUNCT
eurjchem-2602	51	9	n	n	CCONJ
eurjchem-2602	51	10	)	)	PUNCT
eurjchem-2602	51	11	was	be	AUX
eurjchem-2602	51	12	performed	perform	VERB
eurjchem-2602	51	13	using	use	VERB
eurjchem-2602	51	14	a	a	DET
eurjchem-2602	51	15	perkinelmer	perkinelmer	NOUN
eurjchem-2602	51	16	2400chn	2400chn	NUM
eurjchem-2602	51	17	analyzer	analyzer	NOUN
eurjchem-2602	51	18	.	.	PUNCT
eurjchem-2602	52	1	ir	ir	PROPN
eurjchem-2602	52	2	spectra	spectra	PROPN
eurjchem-2602	52	3	were	be	AUX
eurjchem-2602	52	4	recorded	record	VERB
eurjchem-2602	52	5	on	on	ADP
eurjchem-2602	52	6	a	a	DET
eurjchem-2602	52	7	perkinelmer	perkinelmer	NOUN
eurjchem-2602	52	8	ft	ft	PROPN
eurjchem-2602	52	9	-	-	PUNCT
eurjchem-2602	52	10	ir	ir	NOUN
eurjchem-2602	52	11	spectrophotometer	spectrophotometer	NOUN
eurjchem-2602	52	12	in	in	ADP
eurjchem-2602	52	13	kbr	kbr	PROPN
eurjchem-2602	52	14	.	.	PUNCT
eurjchem-2602	53	1	the	the	DET
eurjchem-2602	53	2	1h	1h	NUM
eurjchem-2602	53	3	nmr	nmr	NOUN
eurjchem-2602	53	4	and	and	CCONJ
eurjchem-2602	53	5	13c	13c	NOUN
eurjchem-2602	53	6	nmr	nmr	NOUN
eurjchem-2602	53	7	spectra	spectra	NOUN
eurjchem-2602	53	8	were	be	AUX
eurjchem-2602	53	9	recorded	record	VERB
eurjchem-2602	53	10	on	on	ADP
eurjchem-2602	53	11	a	a	DET
eurjchem-2602	53	12	varian	varian	PROPN
eurjchem-2602	53	13	gemini	gemini	PROPN
eurjchem-2602	53	14	300	300	NUM
eurjchem-2602	53	15	mhz	mhz	NOUN
eurjchem-2602	53	16	and	and	CCONJ
eurjchem-2602	53	17	varian	varian	PROPN
eurjchem-2602	53	18	mercury-400	mercury-400	NOUN
eurjchem-2602	53	19	(	(	PUNCT
eurjchem-2602	53	20	100	100	NUM
eurjchem-2602	53	21	mhz	mhz	NOUN
eurjchem-2602	53	22	)	)	PUNCT
eurjchem-2602	53	23	instrument	instrument	NOUN
eurjchem-2602	53	24	in	in	ADP
eurjchem-2602	53	25	cdcl3	cdcl3	NOUN
eurjchem-2602	53	26	and	and	CCONJ
eurjchem-2602	53	27	meod	meod	NOUN
eurjchem-2602	53	28	as	as	ADP
eurjchem-2602	53	29	solvents	solvent	NOUN
eurjchem-2602	53	30	and	and	CCONJ
eurjchem-2602	53	31	tetramethylsilane	tetramethylsilane	ADJ
eurjchem-2602	53	32	(	(	PUNCT
eurjchem-2602	53	33	tms	tms	PROPN
eurjchem-2602	53	34	)	)	PUNCT
eurjchem-2602	53	35	as	as	ADP
eurjchem-2602	53	36	an	an	DET
eurjchem-2602	53	37	internal	internal	ADJ
eurjchem-2602	53	38	standard	standard	NOUN
eurjchem-2602	53	39	.	.	PUNCT
eurjchem-2602	54	1	the	the	DET
eurjchem-2602	54	2	mass	mass	PROPN
eurjchem-2602	54	3	spectrum	spectrum	NOUN
eurjchem-2602	54	4	was	be	AUX
eurjchem-2602	54	5	scanned	scan	VERB
eurjchem-2602	54	6	on	on	ADP
eurjchem-2602	54	7	a	a	DET
eurjchem-2602	54	8	shimadzu	shimadzu	ADJ
eurjchem-2602	54	9	lcms	lcms	PROPN
eurjchem-2602	54	10	2010	2010	NUM
eurjchem-2602	54	11	spectrophotometer	spectrophotometer	NOUN
eurjchem-2602	54	12	.	.	PUNCT
eurjchem-2602	55	1	2.2	2.2	NUM
eurjchem-2602	55	2	.	.	PUNCT
eurjchem-2602	55	3	synthesis	synthesis	NOUN
eurjchem-2602	55	4	of	of	ADP
eurjchem-2602	55	5	1,3	1,3	NUM
eurjchem-2602	55	6	-	-	PUNCT
eurjchem-2602	55	7	dimethyl-3h	dimethyl-3h	NOUN
eurjchem-2602	55	8	-	-	PUNCT
eurjchem-2602	55	9	benzimidazol-1	benzimidazol-1	NUM
eurjchem-2602	55	10	-	-	PUNCT
eurjchem-2602	55	11	ium	ium	NOUN
eurjchem-2602	55	12	iodide	iodide	NOUN
eurjchem-2602	55	13	monohydrate	monohydrate	NOUN
eurjchem-2602	55	14	(	(	PUNCT
eurjchem-2602	55	15	dbziw	dbziw	ADJ
eurjchem-2602	55	16	)	)	PUNCT
eurjchem-2602	55	17	thf	thf	NOUN
eurjchem-2602	55	18	(	(	PUNCT
eurjchem-2602	55	19	20	20	NUM
eurjchem-2602	55	20	ml	ml	NOUN
eurjchem-2602	55	21	)	)	PUNCT
eurjchem-2602	55	22	was	be	AUX
eurjchem-2602	55	23	heated	heat	VERB
eurjchem-2602	55	24	to	to	ADP
eurjchem-2602	55	25	70	70	NUM
eurjchem-2602	55	26	°	°	NOUN
eurjchem-2602	55	27	c	c	NOUN
eurjchem-2602	55	28	while	while	SCONJ
eurjchem-2602	55	29	methyl	methyl	NOUN
eurjchem-2602	55	30	iodide	iodide	NOUN
eurjchem-2602	55	31	(	(	PUNCT
eurjchem-2602	55	32	12.2	12.2	NUM
eurjchem-2602	55	33	mmol	mmol	NOUN
eurjchem-2602	55	34	)	)	PUNCT
eurjchem-2602	55	35	and	and	CCONJ
eurjchem-2602	55	36	1h	1h	NUM
eurjchem-2602	55	37	-	-	PUNCT
eurjchem-2602	55	38	benzimidazole	benzimidazole	NOUN
eurjchem-2602	55	39	(	(	PUNCT
eurjchem-2602	55	40	12	12	NUM
eurjchem-2602	55	41	mmol	mmol	NOUN
eurjchem-2602	55	42	)	)	PUNCT
eurjchem-2602	55	43	were	be	AUX
eurjchem-2602	55	44	added	add	VERB
eurjchem-2602	55	45	.	.	PUNCT
eurjchem-2602	56	1	after	after	ADP
eurjchem-2602	56	2	24	24	NUM
eurjchem-2602	56	3	hours	hour	NOUN
eurjchem-2602	56	4	,	,	PUNCT
eurjchem-2602	56	5	a	a	DET
eurjchem-2602	56	6	small	small	ADJ
eurjchem-2602	56	7	amount	amount	NOUN
eurjchem-2602	56	8	of	of	ADP
eurjchem-2602	56	9	thf	thf	NOUN
eurjchem-2602	56	10	.	.	PUNCT
eurjchem-2602	57	1	dichloromethane	dichloromethane	NOUN
eurjchem-2602	57	2	(	(	PUNCT
eurjchem-2602	57	3	dcm	dcm	PROPN
eurjchem-2602	57	4	)	)	PUNCT
eurjchem-2602	57	5	(	(	PUNCT
eurjchem-2602	57	6	30	30	NUM
eurjchem-2602	57	7	ml	ml	NOUN
eurjchem-2602	57	8	)	)	PUNCT
eurjchem-2602	57	9	was	be	AUX
eurjchem-2602	57	10	used	use	VERB
eurjchem-2602	57	11	to	to	PART
eurjchem-2602	57	12	dissolve	dissolve	VERB
eurjchem-2602	57	13	the	the	DET
eurjchem-2602	57	14	oil	oil	NOUN
eurjchem-2602	57	15	and	and	CCONJ
eurjchem-2602	57	16	khco3	khco3	NOUN
eurjchem-2602	57	17	and	and	CCONJ
eurjchem-2602	57	18	around	around	ADV
eurjchem-2602	57	19	3	3	NUM
eurjchem-2602	57	20	ml	ml	NOUN
eurjchem-2602	57	21	of	of	ADP
eurjchem-2602	57	22	water	water	NOUN
eurjchem-2602	57	23	were	be	AUX
eurjchem-2602	57	24	added	add	VERB
eurjchem-2602	57	25	.	.	PUNCT
eurjchem-2602	58	1	after	after	SCONJ
eurjchem-2602	58	2	the	the	DET
eurjchem-2602	58	3	evolution	evolution	NOUN
eurjchem-2602	58	4	of	of	ADP
eurjchem-2602	58	5	co2	co2	NOUN
eurjchem-2602	58	6	stopped	stop	VERB
eurjchem-2602	58	7	,	,	PUNCT
eurjchem-2602	58	8	the	the	DET
eurjchem-2602	58	9	mixture	mixture	NOUN
eurjchem-2602	58	10	was	be	AUX
eurjchem-2602	58	11	mixed	mix	VERB
eurjchem-2602	58	12	again	again	ADV
eurjchem-2602	58	13	and	and	CCONJ
eurjchem-2602	58	14	a	a	DET
eurjchem-2602	58	15	significant	significant	ADJ
eurjchem-2602	58	16	amount	amount	NOUN
eurjchem-2602	58	17	of	of	ADP
eurjchem-2602	58	18	khco3	khco3	NOUN
eurjchem-2602	58	19	was	be	AUX
eurjchem-2602	58	20	added	add	VERB
eurjchem-2602	58	21	to	to	PART
eurjchem-2602	58	22	absorb	absorb	VERB
eurjchem-2602	58	23	the	the	DET
eurjchem-2602	58	24	water	water	NOUN
eurjchem-2602	58	25	.	.	PUNCT
eurjchem-2602	59	1	the	the	DET
eurjchem-2602	59	2	thf	thf	NOUN
eurjchem-2602	59	3	was	be	AUX
eurjchem-2602	59	4	separated	separate	VERB
eurjchem-2602	59	5	from	from	ADP
eurjchem-2602	59	6	the	the	DET
eurjchem-2602	59	7	reaction	reaction	NOUN
eurjchem-2602	59	8	mass	mass	NOUN
eurjchem-2602	59	9	after	after	SCONJ
eurjchem-2602	59	10	the	the	DET
eurjchem-2602	59	11	solution	solution	NOUN
eurjchem-2602	59	12	had	have	AUX
eurjchem-2602	59	13	been	be	AUX
eurjchem-2602	59	14	heated	heat	VERB
eurjchem-2602	59	15	to	to	ADP
eurjchem-2602	59	16	70	70	NUM
eurjchem-2602	59	17	°	°	ADP
eurjchem-2602	59	18	c	c	NOUN
eurjchem-2602	59	19	for	for	ADP
eurjchem-2602	59	20	18	18	NUM
eurjchem-2602	59	21	hours	hour	NOUN
eurjchem-2602	59	22	(	(	PUNCT
eurjchem-2602	59	23	scheme	scheme	NOUN
eurjchem-2602	59	24	1	1	NUM
eurjchem-2602	59	25	)	)	PUNCT
eurjchem-2602	59	26	.	.	PUNCT
eurjchem-2602	60	1	after	after	ADP
eurjchem-2602	60	2	being	be	AUX
eurjchem-2602	60	3	cleaned	clean	VERB
eurjchem-2602	60	4	with	with	ADP
eurjchem-2602	60	5	ether	ether	NOUN
eurjchem-2602	60	6	and	and	CCONJ
eurjchem-2602	60	7	dried	dry	VERB
eurjchem-2602	60	8	,	,	PUNCT
eurjchem-2602	60	9	the	the	DET
eurjchem-2602	60	10	product	product	NOUN
eurjchem-2602	60	11	was	be	AUX
eurjchem-2602	60	12	left	leave	VERB
eurjchem-2602	60	13	in	in	ADP
eurjchem-2602	60	14	the	the	DET
eurjchem-2602	60	15	form	form	NOUN
eurjchem-2602	60	16	of	of	ADP
eurjchem-2602	60	17	tiny	tiny	ADJ
eurjchem-2602	60	18	crystals	crystal	NOUN
eurjchem-2602	60	19	.	.	PUNCT
eurjchem-2602	61	1	there	there	PRON
eurjchem-2602	61	2	were	be	VERB
eurjchem-2602	61	3	no	no	DET
eurjchem-2602	61	4	impurities	impurity	NOUN
eurjchem-2602	61	5	found	find	VERB
eurjchem-2602	61	6	during	during	ADP
eurjchem-2602	61	7	the	the	DET
eurjchem-2602	61	8	synthesis	synthesis	NOUN
eurjchem-2602	61	9	of	of	ADP
eurjchem-2602	61	10	dwziw	dwziw	NOUN
eurjchem-2602	61	11	.	.	PUNCT
eurjchem-2602	62	1	the	the	DET
eurjchem-2602	62	2	melting	melting	NOUN
eurjchem-2602	62	3	point	point	NOUN
eurjchem-2602	62	4	and	and	CCONJ
eurjchem-2602	62	5	recrystallization	recrystallization	NOUN
eurjchem-2602	62	6	technique	technique	NOUN
eurjchem-2602	62	7	was	be	AUX
eurjchem-2602	62	8	used	use	VERB
eurjchem-2602	62	9	to	to	PART
eurjchem-2602	62	10	confirm	confirm	VERB
eurjchem-2602	62	11	purity	purity	NOUN
eurjchem-2602	62	12	in	in	ADP
eurjchem-2602	62	13	addition	addition	NOUN
eurjchem-2602	62	14	to	to	ADP
eurjchem-2602	62	15	tlc	tlc	NOUN
eurjchem-2602	62	16	analysis	analysis	NOUN
eurjchem-2602	62	17	.	.	PUNCT
eurjchem-2602	63	1	moreover	moreover	ADV
eurjchem-2602	63	2	,	,	PUNCT
eurjchem-2602	63	3	the	the	DET
eurjchem-2602	63	4	1h	1h	NUM
eurjchem-2602	63	5	and	and	CCONJ
eurjchem-2602	63	6	13c	13c	NOUN
eurjchem-2602	63	7	nmr	nmr	NOUN
eurjchem-2602	63	8	technique	technique	NOUN
eurjchem-2602	63	9	is	be	AUX
eurjchem-2602	63	10	used	use	VERB
eurjchem-2602	63	11	to	to	PART
eurjchem-2602	63	12	confirm	confirm	VERB
eurjchem-2602	63	13	the	the	DET
eurjchem-2602	63	14	chemical	chemical	NOUN
eurjchem-2602	63	15	structure	structure	NOUN
eurjchem-2602	63	16	.	.	PUNCT
eurjchem-2602	64	1	here	here	ADV
eurjchem-2602	64	2	,	,	PUNCT
eurjchem-2602	64	3	we	we	PRON
eurjchem-2602	64	4	had	have	AUX
eurjchem-2602	64	5	used	use	VERB
eurjchem-2602	64	6	a	a	DET
eurjchem-2602	64	7	slow	slow	ADJ
eurjchem-2602	64	8	evaporation	evaporation	NOUN
eurjchem-2602	64	9	method	method	NOUN
eurjchem-2602	64	10	to	to	PART
eurjchem-2602	64	11	grow	grow	VERB
eurjchem-2602	64	12	single	single	ADJ
eurjchem-2602	64	13	crystals	crystal	NOUN
eurjchem-2602	64	14	.	.	PUNCT
eurjchem-2602	65	1	we	we	PRON
eurjchem-2602	65	2	used	use	VERB
eurjchem-2602	65	3	commonly	commonly	ADV
eurjchem-2602	65	4	methanol	methanol	NOUN
eurjchem-2602	65	5	,	,	PUNCT
eurjchem-2602	65	6	ethanol	ethanol	NOUN
eurjchem-2602	65	7	,	,	PUNCT
eurjchem-2602	65	8	or	or	CCONJ
eurjchem-2602	65	9	acetone	acetone	NOUN
eurjchem-2602	65	10	solvents	solvent	NOUN
eurjchem-2602	65	11	to	to	PART
eurjchem-2602	65	12	grow	grow	VERB
eurjchem-2602	65	13	the	the	DET
eurjchem-2602	65	14	single	single	ADJ
eurjchem-2602	65	15	crystals	crystal	NOUN
eurjchem-2602	65	16	.	.	PUNCT
eurjchem-2602	66	1	we	we	PRON
eurjchem-2602	66	2	got	get	VERB
eurjchem-2602	66	3	transparent	transparent	ADJ
eurjchem-2602	66	4	needle	needle	NOUN
eurjchem-2602	66	5	shaped	shape	VERB
eurjchem-2602	66	6	single	single	ADJ
eurjchem-2602	66	7	crystals	crystal	NOUN
eurjchem-2602	66	8	in	in	ADP
eurjchem-2602	66	9	ethanol	ethanol	NOUN
eurjchem-2602	66	10	solvents	solvent	NOUN
eurjchem-2602	66	11	after	after	ADP
eurjchem-2602	66	12	a	a	DET
eurjchem-2602	66	13	few	few	ADJ
eurjchem-2602	66	14	months	month	NOUN
eurjchem-2602	66	15	.	.	PUNCT
eurjchem-2602	67	1	gandhi	gandhi	PROPN
eurjchem-2602	67	2	et	et	PROPN
eurjchem-2602	67	3	al	al	PROPN
eurjchem-2602	67	4	.	.	PUNCT
eurjchem-2602	67	5	/	/	SYM
eurjchem-2602	67	6	european	european	PROPN
eurjchem-2602	67	7	journal	journal	PROPN
eurjchem-2602	67	8	of	of	ADP
eurjchem-2602	67	9	chemistry	chemistry	NOUN
eurjchem-2602	67	10	16	16	NUM
eurjchem-2602	67	11	(	(	PUNCT
eurjchem-2602	67	12	1	1	NUM
eurjchem-2602	67	13	)	)	PUNCT
eurjchem-2602	67	14	(	(	PUNCT
eurjchem-2602	67	15	2025	2025	NUM
eurjchem-2602	67	16	)	)	PUNCT
eurjchem-2602	67	17	7	7	NUM
eurjchem-2602	67	18	-	-	SYM
eurjchem-2602	67	19	19	19	NUM
eurjchem-2602	67	20	9	9	NUM
eurjchem-2602	67	21	2025	2025	NUM
eurjchem-2602	67	22	–	–	PUNCT
eurjchem-2602	67	23	european	european	ADJ
eurjchem-2602	67	24	journal	journal	NOUN
eurjchem-2602	67	25	of	of	ADP
eurjchem-2602	67	26	chemistry	chemistry	NOUN
eurjchem-2602	67	27	–	–	PUNCT
eurjchem-2602	67	28	cc	cc	NOUN
eurjchem-2602	67	29	by	by	ADP
eurjchem-2602	67	30	nc	nc	PROPN
eurjchem-2602	67	31	–	–	PUNCT
eurjchem-2602	67	32	doi	doi	PROPN
eurjchem-2602	67	33	:	:	PUNCT
eurjchem-2602	67	34	10.5155	10.5155	NUM
eurjchem-2602	67	35	/	/	SYM
eurjchem-2602	67	36	eurjchem.16.1.7	eurjchem.16.1.7	PROPN
eurjchem-2602	67	37	-	-	PUNCT
eurjchem-2602	67	38	19.2602	19.2602	NUM
eurjchem-2602	67	39	table	table	NOUN
eurjchem-2602	67	40	2	2	NUM
eurjchem-2602	67	41	.	.	PUNCT
eurjchem-2602	68	1	parameters	parameter	NOUN
eurjchem-2602	68	2	used	use	VERB
eurjchem-2602	68	3	for	for	ADP
eurjchem-2602	68	4	docking	docking	NOUN
eurjchem-2602	68	5	in	in	ADP
eurjchem-2602	68	6	the	the	DET
eurjchem-2602	68	7	hex	hex	PROPN
eurjchem-2602	68	8	8.0.0	8.0.0	NUM
eurjchem-2602	68	9	program	program	NOUN
eurjchem-2602	68	10	.	.	PUNCT
eurjchem-2602	69	1	parameter	parameter	NOUN
eurjchem-2602	69	2	value	value	NOUN
eurjchem-2602	69	3	description	description	NOUN
eurjchem-2602	69	4	correlation	correlation	NOUN
eurjchem-2602	69	5	type	type	NOUN
eurjchem-2602	69	6	shape	shape	NOUN
eurjchem-2602	69	7	+	+	CCONJ
eurjchem-2602	69	8	electro	electro	VERB
eurjchem-2602	69	9	+	+	CCONJ
eurjchem-2602	69	10	dars	dar	NOUN
eurjchem-2602	69	11	grid	grid	NOUN
eurjchem-2602	69	12	dimension	dimension	NOUN
eurjchem-2602	69	13	0.6	0.6	NUM
eurjchem-2602	69	14	with	with	ADP
eurjchem-2602	69	15	100	100	NUM
eurjchem-2602	69	16	solutions	solution	NOUN
eurjchem-2602	69	17	receptor	receptor	NOUN
eurjchem-2602	69	18	range	range	VERB
eurjchem-2602	69	19	180	180	NUM
eurjchem-2602	69	20	with	with	ADP
eurjchem-2602	69	21	step	step	NOUN
eurjchem-2602	69	22	size	size	NOUN
eurjchem-2602	69	23	7.5	7.5	NUM
eurjchem-2602	69	24	ligand	ligand	NOUN
eurjchem-2602	69	25	range	range	NOUN
eurjchem-2602	69	26	180	180	NUM
eurjchem-2602	69	27	with	with	ADP
eurjchem-2602	69	28	step	step	NOUN
eurjchem-2602	69	29	size	size	NOUN
eurjchem-2602	69	30	7.5	7.5	NUM
eurjchem-2602	69	31	twist	twist	NOUN
eurjchem-2602	69	32	range	range	NOUN
eurjchem-2602	69	33	360	360	NUM
eurjchem-2602	69	34	with	with	ADP
eurjchem-2602	69	35	step	step	NOUN
eurjchem-2602	69	36	size	size	NOUN
eurjchem-2602	69	37	5.5	5.5	NUM
eurjchem-2602	69	38	distance	distance	NOUN
eurjchem-2602	69	39	range	range	NOUN
eurjchem-2602	69	40	40	40	NUM
eurjchem-2602	69	41	with	with	ADP
eurjchem-2602	69	42	box	box	NOUN
eurjchem-2602	69	43	size	size	NOUN
eurjchem-2602	69	44	10	10	NUM
eurjchem-2602	69	45	scan	scan	NOUN
eurjchem-2602	69	46	step	step	VERB
eurjchem-2602	69	47	0.8	0.8	NUM
eurjchem-2602	69	48	final	final	ADJ
eurjchem-2602	69	49	scan	scan	NOUN
eurjchem-2602	69	50	25	25	NUM
eurjchem-2602	69	51	1,3	1,3	NUM
eurjchem-2602	69	52	-	-	PUNCT
eurjchem-2602	69	53	dimethyl-3h	dimethyl-3h	NOUN
eurjchem-2602	69	54	-	-	PUNCT
eurjchem-2602	69	55	benzimidazol-1	benzimidazol-1	NUM
eurjchem-2602	69	56	-	-	PUNCT
eurjchem-2602	69	57	ium	ium	NOUN
eurjchem-2602	69	58	iodide	iodide	NOUN
eurjchem-2602	69	59	monohydrate	monohydrate	NOUN
eurjchem-2602	69	60	(	(	PUNCT
eurjchem-2602	69	61	dbziw	dbziw	ADV
eurjchem-2602	69	62	):	):	PUNCT
eurjchem-2602	69	63	color	color	NOUN
eurjchem-2602	69	64	:	:	PUNCT
eurjchem-2602	69	65	white	white	ADJ
eurjchem-2602	69	66	.	.	PUNCT
eurjchem-2602	70	1	yield	yield	NOUN
eurjchem-2602	70	2	:	:	PUNCT
eurjchem-2602	70	3	82	82	NUM
eurjchem-2602	70	4	%	%	NOUN
eurjchem-2602	70	5	.	.	PUNCT
eurjchem-2602	71	1	m.p	m.p	PROPN
eurjchem-2602	71	2	.	.	PROPN
eurjchem-2602	71	3	:	:	PUNCT
eurjchem-2602	72	1	192	192	NUM
eurjchem-2602	72	2	-	-	SYM
eurjchem-2602	72	3	196	196	NUM
eurjchem-2602	72	4	°	°	NOUN
eurjchem-2602	72	5	c	c	NOUN
eurjchem-2602	72	6	.	.	PUNCT
eurjchem-2602	73	1	1h	1h	NUM
eurjchem-2602	73	2	nmr	nmr	NOUN
eurjchem-2602	73	3	(	(	PUNCT
eurjchem-2602	73	4	300	300	NUM
eurjchem-2602	73	5	mhz	mhz	NOUN
eurjchem-2602	73	6	,	,	PUNCT
eurjchem-2602	73	7	cdcl3	cdcl3	PROPN
eurjchem-2602	73	8	,	,	PUNCT
eurjchem-2602	73	9	δ	δ	PROPN
eurjchem-2602	73	10	,	,	PUNCT
eurjchem-2602	73	11	ppm	ppm	NUM
eurjchem-2602	73	12	):	):	PUNCT
eurjchem-2602	73	13	9.35	9.35	NUM
eurjchem-2602	73	14	(	(	PUNCT
eurjchem-2602	73	15	s	s	PROPN
eurjchem-2602	73	16	,	,	PUNCT
eurjchem-2602	73	17	1h	1h	NUM
eurjchem-2602	73	18	,	,	PUNCT
eurjchem-2602	73	19	ch	ch	NOUN
eurjchem-2602	73	20	)	)	PUNCT
eurjchem-2602	73	21	,	,	PUNCT
eurjchem-2602	73	22	7.83	7.83	NUM
eurjchem-2602	73	23	-	-	SYM
eurjchem-2602	73	24	7.86	7.86	NUM
eurjchem-2602	73	25	(	(	PUNCT
eurjchem-2602	73	26	t	t	PROPN
eurjchem-2602	73	27	,	,	PUNCT
eurjchem-2602	73	28	2h	2h	NUM
eurjchem-2602	73	29	,	,	PUNCT
eurjchem-2602	73	30	ch	ch	NOUN
eurjchem-2602	73	31	)	)	PUNCT
eurjchem-2602	73	32	,	,	PUNCT
eurjchem-2602	73	33	7.61	7.61	NUM
eurjchem-2602	73	34	-	-	SYM
eurjchem-2602	73	35	7.65	7.65	NUM
eurjchem-2602	73	36	(	(	PUNCT
eurjchem-2602	73	37	d	d	PROPN
eurjchem-2602	73	38	,	,	PUNCT
eurjchem-2602	73	39	2h	2h	NUM
eurjchem-2602	73	40	,	,	PUNCT
eurjchem-2602	73	41	ch	ch	NOUN
eurjchem-2602	73	42	)	)	PUNCT
eurjchem-2602	73	43	,	,	PUNCT
eurjchem-2602	73	44	4.05	4.05	NUM
eurjchem-2602	73	45	(	(	PUNCT
eurjchem-2602	73	46	s	s	PROPN
eurjchem-2602	73	47	,	,	PUNCT
eurjchem-2602	73	48	6h	6h	NUM
eurjchem-2602	73	49	,	,	PUNCT
eurjchem-2602	73	50	ch3	ch3	PROPN
eurjchem-2602	73	51	)	)	PUNCT
eurjchem-2602	73	52	.	.	PUNCT
eurjchem-2602	74	1	13c	13c	NOUN
eurjchem-2602	74	2	nmr	nmr	NOUN
eurjchem-2602	74	3	(	(	PUNCT
eurjchem-2602	74	4	100	100	NUM
eurjchem-2602	74	5	mhz	mhz	NOUN
eurjchem-2602	74	6	,	,	PUNCT
eurjchem-2602	74	7	meod	meod	NOUN
eurjchem-2602	74	8	,	,	PUNCT
eurjchem-2602	74	9	δ	δ	PROPN
eurjchem-2602	74	10	,	,	PUNCT
eurjchem-2602	74	11	ppm	ppm	NOUN
eurjchem-2602	74	12	):	):	PUNCT
eurjchem-2602	74	13	142.6	142.6	NUM
eurjchem-2602	74	14	,	,	PUNCT
eurjchem-2602	74	15	132.1	132.1	NUM
eurjchem-2602	74	16	,	,	PUNCT
eurjchem-2602	74	17	126.7	126.7	NUM
eurjchem-2602	74	18	,	,	PUNCT
eurjchem-2602	74	19	112.9	112.9	NUM
eurjchem-2602	74	20	,	,	PUNCT
eurjchem-2602	74	21	32.8	32.8	NUM
eurjchem-2602	74	22	.	.	PUNCT
eurjchem-2602	75	1	2.3	2.3	NUM
eurjchem-2602	75	2	.	.	PUNCT
eurjchem-2602	76	1	crystallographic	crystallographic	ADJ
eurjchem-2602	76	2	analysis	analysis	NOUN
eurjchem-2602	76	3	three	three	NUM
eurjchem-2602	76	4	-	-	PUNCT
eurjchem-2602	76	5	dimensional	dimensional	ADJ
eurjchem-2602	76	6	x	x	ADJ
eurjchem-2602	76	7	-	-	NOUN
eurjchem-2602	76	8	ray	ray	NOUN
eurjchem-2602	76	9	crystallographic	crystallographic	ADJ
eurjchem-2602	76	10	data	datum	NOUN
eurjchem-2602	76	11	of	of	ADP
eurjchem-2602	76	12	an	an	DET
eurjchem-2602	76	13	optimum	optimum	ADJ
eurjchem-2602	76	14	size	size	NOUN
eurjchem-2602	76	15	single	single	ADJ
eurjchem-2602	76	16	crystal	crystal	NOUN
eurjchem-2602	76	17	(	(	PUNCT
eurjchem-2602	76	18	dbziw	dbziw	ADV
eurjchem-2602	76	19	)	)	PUNCT
eurjchem-2602	76	20	is	be	AUX
eurjchem-2602	76	21	collected	collect	VERB
eurjchem-2602	76	22	at	at	ADP
eurjchem-2602	76	23	room	room	NOUN
eurjchem-2602	76	24	temperature	temperature	NOUN
eurjchem-2602	76	25	on	on	ADP
eurjchem-2602	76	26	a	a	DET
eurjchem-2602	76	27	bruker	bruker	PROPN
eurjchem-2602	76	28	kappa	kappa	PROPN
eurjchem-2602	76	29	apex	apex	PROPN
eurjchem-2602	76	30	-	-	PUNCT
eurjchem-2602	76	31	ii	ii	PROPN
eurjchem-2602	76	32	diffractometer	diffractometer	NOUN
eurjchem-2602	76	33	in	in	ADP
eurjchem-2602	76	34	the	the	DET
eurjchem-2602	76	35	ω-2θ	ω-2θ	NUM
eurjchem-2602	76	36	scan	scan	ADJ
eurjchem-2602	76	37	mode	mode	NOUN
eurjchem-2602	76	38	with	with	ADP
eurjchem-2602	76	39	graphite	graphite	NOUN
eurjchem-2602	76	40	monochromatic	monochromatic	ADJ
eurjchem-2602	76	41	mokα	mokα	ADJ
eurjchem-2602	76	42	radiation	radiation	NOUN
eurjchem-2602	76	43	(	(	PUNCT
eurjchem-2602	76	44	λ	λ	X
eurjchem-2602	76	45	=	=	SYM
eurjchem-2602	76	46	0.71073	0.71073	NUM
eurjchem-2602	76	47	å	å	NOUN
eurjchem-2602	76	48	)	)	PUNCT
eurjchem-2602	76	49	at	at	ADP
eurjchem-2602	76	50	298(2	298(2	NUM
eurjchem-2602	76	51	)	)	PUNCT
eurjchem-2602	76	52	k.	k.	PROPN
eurjchem-2602	76	53	bruker	bruker	PROPN
eurjchem-2602	76	54	saint	saint	PROPN
eurjchem-2602	76	55	software	software	PROPN
eurjchem-2602	76	56	was	be	AUX
eurjchem-2602	76	57	used	use	VERB
eurjchem-2602	76	58	to	to	PART
eurjchem-2602	76	59	obtain	obtain	VERB
eurjchem-2602	76	60	cell	cell	NOUN
eurjchem-2602	76	61	refinements	refinement	NOUN
eurjchem-2602	76	62	and	and	CCONJ
eurjchem-2602	76	63	data	datum	NOUN
eurjchem-2602	76	64	reductions	reduction	NOUN
eurjchem-2602	76	65	[	[	X
eurjchem-2602	76	66	27	27	NUM
eurjchem-2602	76	67	]	]	PUNCT
eurjchem-2602	76	68	.	.	PUNCT
eurjchem-2602	77	1	in	in	ADP
eurjchem-2602	77	2	order	order	NOUN
eurjchem-2602	77	3	to	to	PART
eurjchem-2602	77	4	characterize	characterize	VERB
eurjchem-2602	77	5	the	the	DET
eurjchem-2602	77	6	thermal	thermal	ADJ
eurjchem-2602	77	7	motion	motion	NOUN
eurjchem-2602	77	8	that	that	PRON
eurjchem-2602	77	9	causes	cause	VERB
eurjchem-2602	77	10	the	the	DET
eurjchem-2602	77	11	non	non	ADJ
eurjchem-2602	77	12	-	-	ADJ
eurjchem-2602	77	13	hydrogen	hydrogen	ADJ
eurjchem-2602	77	14	atoms	atom	NOUN
eurjchem-2602	77	15	to	to	PART
eurjchem-2602	77	16	fall	fall	VERB
eurjchem-2602	77	17	,	,	PUNCT
eurjchem-2602	77	18	the	the	DET
eurjchem-2602	77	19	structure	structure	NOUN
eurjchem-2602	77	20	was	be	AUX
eurjchem-2602	77	21	first	first	ADV
eurjchem-2602	77	22	solved	solve	VERB
eurjchem-2602	77	23	using	use	VERB
eurjchem-2602	77	24	direct	direct	ADJ
eurjchem-2602	77	25	methods	method	NOUN
eurjchem-2602	77	26	using	use	VERB
eurjchem-2602	77	27	shelxs-97	shelxs-97	PROPN
eurjchem-2602	77	28	[	[	X
eurjchem-2602	77	29	28	28	NUM
eurjchem-2602	77	30	]	]	PUNCT
eurjchem-2602	77	31	and	and	CCONJ
eurjchem-2602	77	32	then	then	ADV
eurjchem-2602	77	33	refined	refine	VERB
eurjchem-2602	77	34	using	use	VERB
eurjchem-2602	77	35	full	full	ADJ
eurjchem-2602	77	36	-	-	PUNCT
eurjchem-2602	77	37	matrix	matrix	NOUN
eurjchem-2602	77	38	least	least	ADJ
eurjchem-2602	77	39	squares	square	NOUN
eurjchem-2602	77	40	based	base	VERB
eurjchem-2602	77	41	on	on	ADP
eurjchem-2602	77	42	f2	f2	PROPN
eurjchem-2602	77	43	with	with	ADP
eurjchem-2602	77	44	anisotropic	anisotropic	NOUN
eurjchem-2602	77	45	thermal	thermal	ADJ
eurjchem-2602	77	46	parameters	parameter	NOUN
eurjchem-2602	77	47	using	use	VERB
eurjchem-2602	77	48	shelxl-2016	shelxl-2016	NOUN
eurjchem-2602	77	49	[	[	X
eurjchem-2602	77	50	29	29	NUM
eurjchem-2602	77	51	]	]	PUNCT
eurjchem-2602	77	52	.	.	PUNCT
eurjchem-2602	78	1	details	detail	NOUN
eurjchem-2602	78	2	of	of	ADP
eurjchem-2602	78	3	the	the	DET
eurjchem-2602	78	4	data	data	NOUN
eurjchem-2602	78	5	collection	collection	NOUN
eurjchem-2602	78	6	refinement	refinement	NOUN
eurjchem-2602	78	7	parameters	parameter	NOUN
eurjchem-2602	78	8	are	be	AUX
eurjchem-2602	78	9	in	in	ADP
eurjchem-2602	78	10	table	table	NOUN
eurjchem-2602	78	11	1	1	NUM
eurjchem-2602	78	12	.	.	X
eurjchem-2602	78	13	2.4	2.4	NUM
eurjchem-2602	78	14	.	.	PUNCT
eurjchem-2602	79	1	computational	computational	ADJ
eurjchem-2602	79	2	details	detail	NOUN
eurjchem-2602	79	3	the	the	DET
eurjchem-2602	79	4	b3lyp	b3lyp	NUM
eurjchem-2602	79	5	method	method	NOUN
eurjchem-2602	79	6	represents	represent	VERB
eurjchem-2602	79	7	a	a	DET
eurjchem-2602	79	8	hybrid	hybrid	ADJ
eurjchem-2602	79	9	approximation	approximation	NOUN
eurjchem-2602	79	10	for	for	ADP
eurjchem-2602	79	11	the	the	DET
eurjchem-2602	79	12	exchange	exchange	NOUN
eurjchem-2602	79	13	-	-	PUNCT
eurjchem-2602	79	14	correlation	correlation	NOUN
eurjchem-2602	79	15	functional	functional	ADJ
eurjchem-2602	79	16	,	,	PUNCT
eurjchem-2602	79	17	renowned	renowned	ADJ
eurjchem-2602	79	18	for	for	ADP
eurjchem-2602	79	19	its	its	PRON
eurjchem-2602	79	20	ability	ability	NOUN
eurjchem-2602	79	21	to	to	PART
eurjchem-2602	79	22	yield	yield	VERB
eurjchem-2602	79	23	highly	highly	ADV
eurjchem-2602	79	24	accurate	accurate	ADJ
eurjchem-2602	79	25	results	result	NOUN
eurjchem-2602	79	26	,	,	PUNCT
eurjchem-2602	79	27	which	which	PRON
eurjchem-2602	79	28	has	have	AUX
eurjchem-2602	79	29	led	lead	VERB
eurjchem-2602	79	30	to	to	ADP
eurjchem-2602	79	31	its	its	PRON
eurjchem-2602	79	32	widespread	widespread	ADJ
eurjchem-2602	79	33	application	application	NOUN
eurjchem-2602	79	34	in	in	ADP
eurjchem-2602	79	35	computational	computational	ADJ
eurjchem-2602	79	36	chemistry	chemistry	NOUN
eurjchem-2602	79	37	.	.	PUNCT
eurjchem-2602	80	1	in	in	ADP
eurjchem-2602	80	2	this	this	DET
eurjchem-2602	80	3	context	context	NOUN
eurjchem-2602	80	4	,	,	PUNCT
eurjchem-2602	80	5	dispersion	dispersion	NOUN
eurjchem-2602	80	6	(	(	PUNCT
eurjchem-2602	80	7	van	van	NOUN
eurjchem-2602	80	8	der	der	NOUN
eurjchem-2602	80	9	waals	waal	NOUN
eurjchem-2602	80	10	)	)	PUNCT
eurjchem-2602	80	11	interactions	interaction	NOUN
eurjchem-2602	80	12	are	be	AUX
eurjchem-2602	80	13	critical	critical	ADJ
eurjchem-2602	80	14	to	to	ADP
eurjchem-2602	80	15	understanding	understand	VERB
eurjchem-2602	80	16	the	the	DET
eurjchem-2602	80	17	formation	formation	NOUN
eurjchem-2602	80	18	,	,	PUNCT
eurjchem-2602	80	19	stability	stability	NOUN
eurjchem-2602	80	20	,	,	PUNCT
eurjchem-2602	80	21	and	and	CCONJ
eurjchem-2602	80	22	functionality	functionality	NOUN
eurjchem-2602	80	23	of	of	ADP
eurjchem-2602	80	24	molecules	molecule	NOUN
eurjchem-2602	80	25	.	.	PUNCT
eurjchem-2602	81	1	however	however	ADV
eurjchem-2602	81	2	,	,	PUNCT
eurjchem-2602	81	3	it	it	PRON
eurjchem-2602	81	4	is	be	AUX
eurjchem-2602	81	5	important	important	ADJ
eurjchem-2602	81	6	to	to	PART
eurjchem-2602	81	7	note	note	VERB
eurjchem-2602	81	8	that	that	SCONJ
eurjchem-2602	81	9	popular	popular	ADJ
eurjchem-2602	81	10	local	local	ADJ
eurjchem-2602	81	11	or	or	CCONJ
eurjchem-2602	81	12	semilocal	semilocal	ADJ
eurjchem-2602	81	13	exchange	exchange	NOUN
eurjchem-2602	81	14	-	-	PUNCT
eurjchem-2602	81	15	correlation	correlation	NOUN
eurjchem-2602	81	16	functionals	functional	NOUN
eurjchem-2602	81	17	lack	lack	VERB
eurjchem-2602	81	18	the	the	DET
eurjchem-2602	81	19	longrange	longrange	ADJ
eurjchem-2602	81	20	correlation	correlation	NOUN
eurjchem-2602	81	21	that	that	PRON
eurjchem-2602	81	22	is	be	AUX
eurjchem-2602	81	23	fundamental	fundamental	ADJ
eurjchem-2602	81	24	to	to	ADP
eurjchem-2602	81	25	dispersion	dispersion	NOUN
eurjchem-2602	81	26	interactions	interaction	NOUN
eurjchem-2602	81	27	.	.	PUNCT
eurjchem-2602	82	1	consequently	consequently	ADV
eurjchem-2602	82	2	,	,	PUNCT
eurjchem-2602	82	3	the	the	DET
eurjchem-2602	82	4	incorporation	incorporation	NOUN
eurjchem-2602	82	5	of	of	ADP
eurjchem-2602	82	6	appropriate	appropriate	ADJ
eurjchem-2602	82	7	dispersion	dispersion	NOUN
eurjchem-2602	82	8	corrections	correction	NOUN
eurjchem-2602	82	9	is	be	AUX
eurjchem-2602	82	10	essential	essential	ADJ
eurjchem-2602	82	11	for	for	ADP
eurjchem-2602	82	12	density	density	NOUN
eurjchem-2602	82	13	functional	functional	ADJ
eurjchem-2602	82	14	theory	theory	NOUN
eurjchem-2602	82	15	(	(	PUNCT
eurjchem-2602	82	16	dft	dft	NOUN
eurjchem-2602	82	17	)	)	PUNCT
eurjchem-2602	82	18	calculations	calculation	NOUN
eurjchem-2602	82	19	involving	involve	VERB
eurjchem-2602	82	20	realistic	realistic	ADJ
eurjchem-2602	82	21	molecular	molecular	ADJ
eurjchem-2602	82	22	systems	system	NOUN
eurjchem-2602	82	23	.	.	PUNCT
eurjchem-2602	83	1	in	in	ADP
eurjchem-2602	83	2	our	our	PRON
eurjchem-2602	83	3	study	study	NOUN
eurjchem-2602	83	4	,	,	PUNCT
eurjchem-2602	83	5	we	we	PRON
eurjchem-2602	83	6	conducted	conduct	VERB
eurjchem-2602	83	7	quantum	quantum	ADJ
eurjchem-2602	83	8	chemical	chemical	NOUN
eurjchem-2602	83	9	computations	computation	NOUN
eurjchem-2602	83	10	utilizing	utilize	VERB
eurjchem-2602	83	11	an	an	DET
eurjchem-2602	83	12	advanced	advanced	ADJ
eurjchem-2602	83	13	theoretical	theoretical	ADJ
eurjchem-2602	83	14	framework	framework	NOUN
eurjchem-2602	83	15	to	to	PART
eurjchem-2602	83	16	investigate	investigate	VERB
eurjchem-2602	83	17	the	the	DET
eurjchem-2602	83	18	role	role	NOUN
eurjchem-2602	83	19	of	of	ADP
eurjchem-2602	83	20	water	water	NOUN
eurjchem-2602	83	21	and	and	CCONJ
eurjchem-2602	83	22	iodine	iodine	NOUN
eurjchem-2602	83	23	.	.	PUNCT
eurjchem-2602	84	1	geometrical	geometrical	ADJ
eurjchem-2602	84	2	optimization	optimization	NOUN
eurjchem-2602	84	3	for	for	ADP
eurjchem-2602	84	4	dbz	dbz	PROPN
eurjchem-2602	84	5	,	,	PUNCT
eurjchem-2602	84	6	dbzw	dbzw	PROPN
eurjchem-2602	84	7	,	,	PUNCT
eurjchem-2602	84	8	dbzi	dbzi	NOUN
eurjchem-2602	84	9	,	,	PUNCT
eurjchem-2602	84	10	and	and	CCONJ
eurjchem-2602	84	11	dbziw	dbziw	ADV
eurjchem-2602	84	12	was	be	AUX
eurjchem-2602	84	13	performed	perform	VERB
eurjchem-2602	84	14	using	use	VERB
eurjchem-2602	84	15	the	the	DET
eurjchem-2602	84	16	b3lyp	b3lyp	PROPN
eurjchem-2602	84	17	exchange	exchange	NOUN
eurjchem-2602	84	18	correlation	correlation	NOUN
eurjchem-2602	84	19	functional	functional	ADJ
eurjchem-2602	84	20	in	in	ADP
eurjchem-2602	84	21	conjunction	conjunction	NOUN
eurjchem-2602	84	22	with	with	ADP
eurjchem-2602	84	23	a	a	DET
eurjchem-2602	84	24	6	6	NUM
eurjchem-2602	84	25	-	-	PUNCT
eurjchem-2602	84	26	311++g(d	311++g(d	NOUN
eurjchem-2602	84	27	,	,	PUNCT
eurjchem-2602	84	28	p	p	NOUN
eurjchem-2602	84	29	)	)	PUNCT
eurjchem-2602	84	30	basis	basis	NOUN
eurjchem-2602	84	31	set	set	NOUN
eurjchem-2602	84	32	,	,	PUNCT
eurjchem-2602	84	33	as	as	ADV
eurjchem-2602	84	34	well	well	ADV
eurjchem-2602	84	35	as	as	ADP
eurjchem-2602	84	36	def2	def2	NOUN
eurjchem-2602	84	37	-	-	PUNCT
eurjchem-2602	84	38	tzvp	tzvp	PROPN
eurjchem-2602	84	39	models	model	NOUN
eurjchem-2602	84	40	for	for	ADP
eurjchem-2602	84	41	dispersion	dispersion	NOUN
eurjchem-2602	84	42	correction	correction	NOUN
eurjchem-2602	84	43	,	,	PUNCT
eurjchem-2602	84	44	while	while	SCONJ
eurjchem-2602	84	45	maintaining	maintain	VERB
eurjchem-2602	84	46	a	a	DET
eurjchem-2602	84	47	minimal	minimal	ADJ
eurjchem-2602	84	48	computational	computational	ADJ
eurjchem-2602	84	49	overhead	overhead	NOUN
eurjchem-2602	84	50	relative	relative	ADJ
eurjchem-2602	84	51	to	to	ADP
eurjchem-2602	84	52	conventional	conventional	ADJ
eurjchem-2602	84	53	dft	dft	NOUN
eurjchem-2602	84	54	approaches	approach	NOUN
eurjchem-2602	84	55	[	[	X
eurjchem-2602	84	56	30	30	NUM
eurjchem-2602	84	57	-	-	SYM
eurjchem-2602	84	58	32	32	NUM
eurjchem-2602	84	59	]	]	PUNCT
eurjchem-2602	84	60	.	.	PUNCT
eurjchem-2602	85	1	the	the	DET
eurjchem-2602	85	2	computations	computation	NOUN
eurjchem-2602	85	3	were	be	AUX
eurjchem-2602	85	4	executed	execute	VERB
eurjchem-2602	85	5	using	use	VERB
eurjchem-2602	85	6	the	the	DET
eurjchem-2602	85	7	gaussian	gaussian	ADJ
eurjchem-2602	85	8	09	09	NUM
eurjchem-2602	85	9	software	software	NOUN
eurjchem-2602	85	10	package	package	NOUN
eurjchem-2602	85	11	,	,	PUNCT
eurjchem-2602	85	12	complemented	complement	VERB
eurjchem-2602	85	13	by	by	ADP
eurjchem-2602	85	14	the	the	DET
eurjchem-2602	85	15	gauss	gauss	ADJ
eurjchem-2602	85	16	-	-	PUNCT
eurjchem-2602	85	17	view	view	NOUN
eurjchem-2602	85	18	molecular	molecular	ADJ
eurjchem-2602	85	19	visualization	visualization	NOUN
eurjchem-2602	85	20	tool	tool	NOUN
eurjchem-2602	86	1	[	[	X
eurjchem-2602	86	2	33,34	33,34	NOUN
eurjchem-2602	86	3	]	]	X
eurjchem-2602	86	4	.	.	PUNCT
eurjchem-2602	87	1	2.5	2.5	NUM
eurjchem-2602	87	2	.	.	PUNCT
eurjchem-2602	88	1	hirshfeld	hirshfeld	PROPN
eurjchem-2602	88	2	surface	surface	PROPN
eurjchem-2602	88	3	analyses	analyse	VERB
eurjchem-2602	88	4	the	the	DET
eurjchem-2602	88	5	software	software	NOUN
eurjchem-2602	88	6	crystal	crystal	NOUN
eurjchem-2602	88	7	explorer21	explorer21	NOUN
eurjchem-2602	89	1	[	[	X
eurjchem-2602	89	2	35,36	35,36	NUM
eurjchem-2602	89	3	]	]	PUNCT
eurjchem-2602	89	4	offers	offer	VERB
eurjchem-2602	89	5	a	a	DET
eurjchem-2602	89	6	valuable	valuable	ADJ
eurjchem-2602	89	7	feature	feature	NOUN
eurjchem-2602	89	8	to	to	PART
eurjchem-2602	89	9	characterize	characterize	VERB
eurjchem-2602	89	10	the	the	DET
eurjchem-2602	89	11	surface	surface	NOUN
eurjchem-2602	89	12	properties	property	NOUN
eurjchem-2602	89	13	of	of	ADP
eurjchem-2602	89	14	molecules	molecule	NOUN
eurjchem-2602	89	15	and	and	CCONJ
eurjchem-2602	89	16	serves	serve	VERB
eurjchem-2602	89	17	as	as	ADP
eurjchem-2602	89	18	an	an	DET
eurjchem-2602	89	19	effective	effective	ADJ
eurjchem-2602	89	20	tool	tool	NOUN
eurjchem-2602	89	21	to	to	PART
eurjchem-2602	89	22	analyze	analyze	VERB
eurjchem-2602	89	23	intermolecular	intermolecular	ADJ
eurjchem-2602	89	24	interactions	interaction	NOUN
eurjchem-2602	89	25	within	within	ADP
eurjchem-2602	89	26	a	a	DET
eurjchem-2602	89	27	crystal	crystal	NOUN
eurjchem-2602	89	28	structure	structure	NOUN
eurjchem-2602	89	29	.	.	PUNCT
eurjchem-2602	90	1	this	this	DET
eurjchem-2602	90	2	analysis	analysis	NOUN
eurjchem-2602	90	3	provides	provide	VERB
eurjchem-2602	90	4	insight	insight	NOUN
eurjchem-2602	90	5	into	into	ADP
eurjchem-2602	90	6	the	the	DET
eurjchem-2602	90	7	intermolecular	intermolecular	ADJ
eurjchem-2602	90	8	interactions	interaction	NOUN
eurjchem-2602	90	9	present	present	ADJ
eurjchem-2602	90	10	in	in	ADP
eurjchem-2602	90	11	the	the	DET
eurjchem-2602	90	12	crystalline	crystalline	ADJ
eurjchem-2602	90	13	state	state	NOUN
eurjchem-2602	90	14	,	,	PUNCT
eurjchem-2602	90	15	as	as	SCONJ
eurjchem-2602	90	16	it	it	PRON
eurjchem-2602	90	17	delineates	delineate	VERB
eurjchem-2602	90	18	the	the	DET
eurjchem-2602	90	19	regions	region	NOUN
eurjchem-2602	90	20	where	where	SCONJ
eurjchem-2602	90	21	molecules	molecule	NOUN
eurjchem-2602	90	22	interact	interact	VERB
eurjchem-2602	90	23	.	.	PUNCT
eurjchem-2602	91	1	the	the	DET
eurjchem-2602	91	2	hirshfeld	hirshfeld	PROPN
eurjchem-2602	91	3	surface	surface	NOUN
eurjchem-2602	91	4	,	,	PUNCT
eurjchem-2602	91	5	which	which	PRON
eurjchem-2602	91	6	envelops	envelop	VERB
eurjchem-2602	91	7	a	a	DET
eurjchem-2602	91	8	molecule	molecule	NOUN
eurjchem-2602	91	9	,	,	PUNCT
eurjchem-2602	91	10	is	be	AUX
eurjchem-2602	91	11	defined	define	VERB
eurjchem-2602	91	12	by	by	ADP
eurjchem-2602	91	13	the	the	DET
eurjchem-2602	91	14	points	point	NOUN
eurjchem-2602	91	15	at	at	ADP
eurjchem-2602	91	16	which	which	PRON
eurjchem-2602	91	17	the	the	DET
eurjchem-2602	91	18	electron	electron	NOUN
eurjchem-2602	91	19	density	density	NOUN
eurjchem-2602	91	20	contribution	contribution	NOUN
eurjchem-2602	91	21	from	from	ADP
eurjchem-2602	91	22	the	the	DET
eurjchem-2602	91	23	molecule	molecule	NOUN
eurjchem-2602	91	24	of	of	ADP
eurjchem-2602	91	25	interest	interest	NOUN
eurjchem-2602	91	26	is	be	AUX
eurjchem-2602	91	27	equivalent	equivalent	ADJ
eurjchem-2602	91	28	to	to	ADP
eurjchem-2602	91	29	the	the	DET
eurjchem-2602	91	30	electron	electron	NOUN
eurjchem-2602	91	31	density	density	NOUN
eurjchem-2602	91	32	contributions	contribution	NOUN
eurjchem-2602	91	33	from	from	ADP
eurjchem-2602	91	34	all	all	DET
eurjchem-2602	91	35	other	other	ADJ
eurjchem-2602	91	36	surrounding	surround	VERB
eurjchem-2602	91	37	molecules	molecule	NOUN
eurjchem-2602	91	38	.	.	PUNCT
eurjchem-2602	92	1	the	the	DET
eurjchem-2602	92	2	distinctive	distinctive	ADJ
eurjchem-2602	92	3	capability	capability	NOUN
eurjchem-2602	92	4	of	of	ADP
eurjchem-2602	92	5	this	this	DET
eurjchem-2602	92	6	method	method	NOUN
eurjchem-2602	92	7	to	to	PART
eurjchem-2602	92	8	compute	compute	VERB
eurjchem-2602	92	9	and	and	CCONJ
eurjchem-2602	92	10	visually	visually	ADV
eurjchem-2602	92	11	represent	represent	VERB
eurjchem-2602	92	12	these	these	DET
eurjchem-2602	92	13	interactions	interaction	NOUN
eurjchem-2602	92	14	,	,	PUNCT
eurjchem-2602	92	15	yielding	yield	VERB
eurjchem-2602	92	16	unique	unique	ADJ
eurjchem-2602	92	17	results	result	NOUN
eurjchem-2602	92	18	for	for	ADP
eurjchem-2602	92	19	each	each	DET
eurjchem-2602	92	20	crystal	crystal	NOUN
eurjchem-2602	92	21	structure	structure	NOUN
eurjchem-2602	92	22	,	,	PUNCT
eurjchem-2602	92	23	underscores	underscore	VERB
eurjchem-2602	92	24	its	its	PRON
eurjchem-2602	92	25	significance	significance	NOUN
eurjchem-2602	92	26	.	.	PUNCT
eurjchem-2602	93	1	analysis	analysis	NOUN
eurjchem-2602	93	2	is	be	AUX
eurjchem-2602	93	3	carried	carry	VERB
eurjchem-2602	93	4	out	out	ADP
eurjchem-2602	93	5	using	use	VERB
eurjchem-2602	93	6	the	the	DET
eurjchem-2602	93	7	molecule	molecule	NOUN
eurjchem-2602	93	8	’s	’s	PART
eurjchem-2602	93	9	crystallographic	crystallographic	ADJ
eurjchem-2602	93	10	information	information	NOUN
eurjchem-2602	93	11	file	file	NOUN
eurjchem-2602	93	12	(	(	PUNCT
eurjchem-2602	93	13	cif	cif	PROPN
eurjchem-2602	93	14	)	)	PUNCT
eurjchem-2602	93	15	.	.	PUNCT
eurjchem-2602	94	1	among	among	ADP
eurjchem-2602	94	2	the	the	DET
eurjchem-2602	94	3	primary	primary	ADJ
eurjchem-2602	94	4	functionalities	functionality	NOUN
eurjchem-2602	94	5	of	of	ADP
eurjchem-2602	94	6	hirshfeld	hirshfeld	PROPN
eurjchem-2602	94	7	surface	surface	NOUN
eurjchem-2602	94	8	analyses	analysis	NOUN
eurjchem-2602	94	9	are	be	AUX
eurjchem-2602	94	10	the	the	DET
eurjchem-2602	94	11	generation	generation	NOUN
eurjchem-2602	94	12	of	of	ADP
eurjchem-2602	94	13	two	two	NUM
eurjchem-2602	94	14	-	-	PUNCT
eurjchem-2602	94	15	dimensional	dimensional	ADJ
eurjchem-2602	94	16	fingerprint	fingerprint	NOUN
eurjchem-2602	94	17	plots	plot	NOUN
eurjchem-2602	94	18	and	and	CCONJ
eurjchem-2602	94	19	three	three	NUM
eurjchem-2602	94	20	-	-	PUNCT
eurjchem-2602	94	21	dimensional	dimensional	ADJ
eurjchem-2602	94	22	molecular	molecular	ADJ
eurjchem-2602	94	23	surface	surface	NOUN
eurjchem-2602	94	24	contours	contours	NOUN
eurjchem-2602	94	25	.	.	PUNCT
eurjchem-2602	95	1	these	these	DET
eurjchem-2602	95	2	visualizations	visualization	NOUN
eurjchem-2602	95	3	produce	produce	VERB
eurjchem-2602	95	4	the	the	DET
eurjchem-2602	95	5	van	van	PROPN
eurjchem-2602	95	6	der	der	NOUN
eurjchem-2602	95	7	waals	waal	NOUN
eurjchem-2602	95	8	(	(	PUNCT
eurjchem-2602	95	9	vdw	vdw	NOUN
eurjchem-2602	95	10	)	)	PUNCT
eurjchem-2602	95	11	surface	surface	NOUN
eurjchem-2602	95	12	surrounding	surround	VERB
eurjchem-2602	95	13	the	the	DET
eurjchem-2602	95	14	molecule	molecule	NOUN
eurjchem-2602	95	15	,	,	PUNCT
eurjchem-2602	95	16	illustrating	illustrate	VERB
eurjchem-2602	95	17	the	the	DET
eurjchem-2602	95	18	spatial	spatial	ADJ
eurjchem-2602	95	19	occupation	occupation	NOUN
eurjchem-2602	95	20	of	of	ADP
eurjchem-2602	95	21	the	the	DET
eurjchem-2602	95	22	molecule	molecule	NOUN
eurjchem-2602	95	23	within	within	ADP
eurjchem-2602	95	24	the	the	DET
eurjchem-2602	95	25	crystal	crystal	NOUN
eurjchem-2602	95	26	structure	structure	NOUN
eurjchem-2602	95	27	.	.	PUNCT
eurjchem-2602	96	1	the	the	DET
eurjchem-2602	96	2	contact	contact	NOUN
eurjchem-2602	96	3	distances	distance	NOUN
eurjchem-2602	96	4	between	between	ADP
eurjchem-2602	96	5	points	point	NOUN
eurjchem-2602	96	6	on	on	ADP
eurjchem-2602	96	7	this	this	DET
eurjchem-2602	96	8	surface	surface	NOUN
eurjchem-2602	96	9	and	and	CCONJ
eurjchem-2602	96	10	the	the	DET
eurjchem-2602	96	11	atoms	atom	NOUN
eurjchem-2602	96	12	located	locate	VERB
eurjchem-2602	96	13	inside	inside	ADV
eurjchem-2602	96	14	(	(	PUNCT
eurjchem-2602	96	15	di	di	NOUN
eurjchem-2602	96	16	)	)	PUNCT
eurjchem-2602	96	17	and	and	CCONJ
eurjchem-2602	96	18	outside	outside	ADV
eurjchem-2602	96	19	(	(	PUNCT
eurjchem-2602	96	20	de	de	X
eurjchem-2602	96	21	)	)	PUNCT
eurjchem-2602	96	22	the	the	DET
eurjchem-2602	96	23	surfaces	surface	NOUN
eurjchem-2602	96	24	are	be	AUX
eurjchem-2602	96	25	significantly	significantly	ADV
eurjchem-2602	96	26	influenced	influence	VERB
eurjchem-2602	96	27	by	by	ADP
eurjchem-2602	96	28	the	the	DET
eurjchem-2602	96	29	varying	vary	VERB
eurjchem-2602	96	30	vdw	vdw	NOUN
eurjchem-2602	96	31	radii	radius	NOUN
eurjchem-2602	96	32	of	of	ADP
eurjchem-2602	96	33	the	the	DET
eurjchem-2602	96	34	constituent	constituent	NOUN
eurjchem-2602	96	35	atoms	atom	NOUN
eurjchem-2602	96	36	,	,	PUNCT
eurjchem-2602	96	37	allowing	allow	VERB
eurjchem-2602	96	38	for	for	ADP
eurjchem-2602	96	39	the	the	DET
eurjchem-2602	96	40	normalization	normalization	NOUN
eurjchem-2602	96	41	of	of	ADP
eurjchem-2602	96	42	these	these	DET
eurjchem-2602	96	43	distances	distance	NOUN
eurjchem-2602	96	44	(	(	PUNCT
eurjchem-2602	96	45	dnorm	dnorm	NOUN
eurjchem-2602	96	46	)	)	PUNCT
eurjchem-2602	96	47	.	.	PUNCT
eurjchem-2602	97	1	this	this	DET
eurjchem-2602	97	2	methodology	methodology	NOUN
eurjchem-2602	97	3	also	also	ADV
eurjchem-2602	97	4	facilitates	facilitate	VERB
eurjchem-2602	97	5	a	a	DET
eurjchem-2602	97	6	comprehensive	comprehensive	ADJ
eurjchem-2602	97	7	examination	examination	NOUN
eurjchem-2602	97	8	of	of	ADP
eurjchem-2602	97	9	intermolecular	intermolecular	ADJ
eurjchem-2602	97	10	interactions	interaction	NOUN
eurjchem-2602	97	11	,	,	PUNCT
eurjchem-2602	97	12	ranging	range	VERB
eurjchem-2602	97	13	from	from	ADP
eurjchem-2602	97	14	short	short	ADJ
eurjchem-2602	97	15	to	to	ADP
eurjchem-2602	97	16	long	long	ADJ
eurjchem-2602	97	17	distances	distance	NOUN
eurjchem-2602	97	18	,	,	PUNCT
eurjchem-2602	97	19	within	within	ADP
eurjchem-2602	97	20	a	a	DET
eurjchem-2602	97	21	crystal	crystal	NOUN
eurjchem-2602	97	22	structure	structure	NOUN
eurjchem-2602	97	23	.	.	PUNCT
eurjchem-2602	98	1	the	the	DET
eurjchem-2602	98	2	visualization	visualization	NOUN
eurjchem-2602	98	3	of	of	ADP
eurjchem-2602	98	4	these	these	DET
eurjchem-2602	98	5	interactions	interaction	NOUN
eurjchem-2602	98	6	is	be	AUX
eurjchem-2602	98	7	conveyed	convey	VERB
eurjchem-2602	98	8	through	through	ADP
eurjchem-2602	98	9	color	color	NOUN
eurjchem-2602	98	10	-	-	PUNCT
eurjchem-2602	98	11	coded	code	VERB
eurjchem-2602	98	12	fingerprint	fingerprint	NOUN
eurjchem-2602	98	13	plots	plot	NOUN
eurjchem-2602	98	14	and	and	CCONJ
eurjchem-2602	98	15	contour	contour	NOUN
eurjchem-2602	98	16	surfaces	surface	NOUN
eurjchem-2602	98	17	,	,	PUNCT
eurjchem-2602	98	18	where	where	SCONJ
eurjchem-2602	98	19	distances	distance	NOUN
eurjchem-2602	98	20	shorter	short	ADJ
eurjchem-2602	98	21	than	than	ADP
eurjchem-2602	98	22	or	or	CCONJ
eurjchem-2602	98	23	longer	long	ADJ
eurjchem-2602	98	24	than	than	ADP
eurjchem-2602	98	25	the	the	DET
eurjchem-2602	98	26	sum	sum	NOUN
eurjchem-2602	98	27	of	of	ADP
eurjchem-2602	98	28	the	the	DET
eurjchem-2602	98	29	vdw	vdw	NOUN
eurjchem-2602	98	30	radii	radius	NOUN
eurjchem-2602	98	31	are	be	AUX
eurjchem-2602	98	32	represented	represent	VERB
eurjchem-2602	98	33	in	in	ADP
eurjchem-2602	98	34	a	a	DET
eurjchem-2602	98	35	spectrum	spectrum	NOUN
eurjchem-2602	98	36	from	from	ADP
eurjchem-2602	98	37	red	red	NOUN
eurjchem-2602	98	38	(	(	PUNCT
eurjchem-2602	98	39	indicating	indicate	VERB
eurjchem-2602	98	40	shorter	short	ADJ
eurjchem-2602	98	41	distances	distance	NOUN
eurjchem-2602	98	42	)	)	PUNCT
eurjchem-2602	98	43	to	to	ADP
eurjchem-2602	98	44	white	white	ADJ
eurjchem-2602	98	45	and	and	CCONJ
eurjchem-2602	98	46	blue	blue	ADJ
eurjchem-2602	98	47	(	(	PUNCT
eurjchem-2602	98	48	indicating	indicate	VERB
eurjchem-2602	98	49	longer	long	ADJ
eurjchem-2602	98	50	distances	distance	NOUN
eurjchem-2602	98	51	)	)	PUNCT
eurjchem-2602	98	52	.	.	PUNCT
eurjchem-2602	99	1	utilizing	utilize	VERB
eurjchem-2602	99	2	crystal	crystal	NOUN
eurjchem-2602	99	3	explorer	explorer	NOUN
eurjchem-2602	99	4	,	,	PUNCT
eurjchem-2602	99	5	the	the	DET
eurjchem-2602	99	6	qualitative	qualitative	ADJ
eurjchem-2602	99	7	and	and	CCONJ
eurjchem-2602	99	8	quantitative	quantitative	ADJ
eurjchem-2602	99	9	data	datum	NOUN
eurjchem-2602	99	10	regarding	regard	VERB
eurjchem-2602	99	11	the	the	DET
eurjchem-2602	99	12	molecular	molecular	ADJ
eurjchem-2602	99	13	interactions	interaction	NOUN
eurjchem-2602	99	14	of	of	ADP
eurjchem-2602	99	15	the	the	DET
eurjchem-2602	99	16	benzimidazole	benzimidazole	ADJ
eurjchem-2602	99	17	derivative	derivative	NOUN
eurjchem-2602	99	18	were	be	AUX
eurjchem-2602	99	19	investigated	investigate	VERB
eurjchem-2602	99	20	through	through	ADP
eurjchem-2602	99	21	a	a	DET
eurjchem-2602	99	22	calculated	calculated	ADJ
eurjchem-2602	99	23	energy	energy	NOUN
eurjchem-2602	99	24	framework	framework	NOUN
eurjchem-2602	99	25	.	.	PUNCT
eurjchem-2602	100	1	2.6	2.6	NUM
eurjchem-2602	100	2	.	.	X
eurjchem-2602	101	1	molecular	molecular	ADJ
eurjchem-2602	101	2	docking	docking	NOUN
eurjchem-2602	101	3	study	study	NOUN
eurjchem-2602	101	4	iodine	iodine	NOUN
eurjchem-2602	101	5	is	be	AUX
eurjchem-2602	101	6	a	a	DET
eurjchem-2602	101	7	commonly	commonly	ADV
eurjchem-2602	101	8	used	use	VERB
eurjchem-2602	101	9	antiseptic	antiseptic	NOUN
eurjchem-2602	101	10	and	and	CCONJ
eurjchem-2602	101	11	is	be	AUX
eurjchem-2602	101	12	included	include	VERB
eurjchem-2602	101	13	in	in	ADP
eurjchem-2602	101	14	the	the	DET
eurjchem-2602	101	15	world	world	NOUN
eurjchem-2602	101	16	health	health	NOUN
eurjchem-2602	101	17	organization	organization	NOUN
eurjchem-2602	101	18	(	(	PUNCT
eurjchem-2602	101	19	who	who	PRON
eurjchem-2602	101	20	)	)	PUNCT
eurjchem-2602	101	21	list	list	NOUN
eurjchem-2602	101	22	of	of	ADP
eurjchem-2602	101	23	essential	essential	ADJ
eurjchem-2602	101	24	drugs	drug	NOUN
eurjchem-2602	101	25	,	,	PUNCT
eurjchem-2602	101	26	as	as	SCONJ
eurjchem-2602	101	27	it	it	PRON
eurjchem-2602	101	28	is	be	AUX
eurjchem-2602	101	29	a	a	DET
eurjchem-2602	101	30	nutrient	nutrient	NOUN
eurjchem-2602	101	31	that	that	SCONJ
eurjchem-2602	101	32	the	the	DET
eurjchem-2602	101	33	human	human	ADJ
eurjchem-2602	101	34	body	body	NOUN
eurjchem-2602	101	35	can	can	AUX
eurjchem-2602	101	36	not	not	PART
eurjchem-2602	101	37	synthesize	synthesize	VERB
eurjchem-2602	101	38	independently	independently	ADV
eurjchem-2602	101	39	[	[	X
eurjchem-2602	101	40	37	37	NUM
eurjchem-2602	101	41	]	]	PUNCT
eurjchem-2602	101	42	.	.	PUNCT
eurjchem-2602	102	1	it	it	PRON
eurjchem-2602	102	2	plays	play	VERB
eurjchem-2602	102	3	a	a	DET
eurjchem-2602	102	4	vital	vital	ADJ
eurjchem-2602	102	5	role	role	NOUN
eurjchem-2602	102	6	in	in	ADP
eurjchem-2602	102	7	human	human	ADJ
eurjchem-2602	102	8	nutrition	nutrition	NOUN
eurjchem-2602	102	9	,	,	PUNCT
eurjchem-2602	102	10	particularly	particularly	ADV
eurjchem-2602	102	11	as	as	ADP
eurjchem-2602	102	12	a	a	DET
eurjchem-2602	102	13	necessary	necessary	ADJ
eurjchem-2602	102	14	element	element	NOUN
eurjchem-2602	102	15	for	for	ADP
eurjchem-2602	102	16	the	the	DET
eurjchem-2602	102	17	production	production	NOUN
eurjchem-2602	102	18	of	of	ADP
eurjchem-2602	102	19	thyroid	thyroid	NOUN
eurjchem-2602	102	20	hormones	hormone	NOUN
eurjchem-2602	102	21	.	.	PUNCT
eurjchem-2602	103	1	insufficient	insufficient	ADJ
eurjchem-2602	103	2	iodine	iodine	NOUN
eurjchem-2602	103	3	levels	level	NOUN
eurjchem-2602	103	4	can	can	AUX
eurjchem-2602	103	5	impede	impede	VERB
eurjchem-2602	103	6	the	the	DET
eurjchem-2602	103	7	synthesis	synthesis	NOUN
eurjchem-2602	103	8	of	of	ADP
eurjchem-2602	103	9	these	these	DET
eurjchem-2602	103	10	hormones	hormone	NOUN
eurjchem-2602	103	11	,	,	PUNCT
eurjchem-2602	103	12	leading	lead	VERB
eurjchem-2602	103	13	to	to	ADP
eurjchem-2602	103	14	potential	potential	ADJ
eurjchem-2602	103	15	health	health	NOUN
eurjchem-2602	103	16	complications	complication	NOUN
eurjchem-2602	103	17	.	.	PUNCT
eurjchem-2602	104	1	a	a	DET
eurjchem-2602	104	2	deficiency	deficiency	NOUN
eurjchem-2602	104	3	of	of	ADP
eurjchem-2602	104	4	iodine	iodine	NOUN
eurjchem-2602	104	5	during	during	ADP
eurjchem-2602	104	6	pregnancy	pregnancy	NOUN
eurjchem-2602	104	7	can	can	AUX
eurjchem-2602	104	8	cause	cause	VERB
eurjchem-2602	104	9	conditions	condition	NOUN
eurjchem-2602	104	10	such	such	ADJ
eurjchem-2602	104	11	as	as	ADP
eurjchem-2602	104	12	goiter	goiter	NOUN
eurjchem-2602	104	13	,	,	PUNCT
eurjchem-2602	104	14	hypothyroidism	hypothyroidism	NOUN
eurjchem-2602	104	15	,	,	PUNCT
eurjchem-2602	104	16	and	and	CCONJ
eurjchem-2602	104	17	cognitive	cognitive	ADJ
eurjchem-2602	104	18	impairment	impairment	NOUN
eurjchem-2602	104	19	in	in	ADP
eurjchem-2602	104	20	both	both	DET
eurjchem-2602	104	21	children	child	NOUN
eurjchem-2602	104	22	and	and	CCONJ
eurjchem-2602	104	23	newborns	newborn	NOUN
eurjchem-2602	104	24	.	.	PUNCT
eurjchem-2602	105	1	the	the	DET
eurjchem-2602	105	2	thyroid	thyroid	NOUN
eurjchem-2602	105	3	stimulating	stimulate	VERB
eurjchem-2602	105	4	hormone	hormone	NOUN
eurjchem-2602	105	5	receptor	receptor	NOUN
eurjchem-2602	105	6	(	(	PUNCT
eurjchem-2602	105	7	tshr	tshr	NOUN
eurjchem-2602	105	8	)	)	PUNCT
eurjchem-2602	105	9	was	be	AUX
eurjchem-2602	105	10	selected	select	VERB
eurjchem-2602	105	11	as	as	ADP
eurjchem-2602	105	12	the	the	DET
eurjchem-2602	105	13	target	target	NOUN
eurjchem-2602	105	14	molecule	molecule	NOUN
eurjchem-2602	105	15	based	base	VERB
eurjchem-2602	105	16	on	on	ADP
eurjchem-2602	105	17	a	a	DET
eurjchem-2602	105	18	review	review	NOUN
eurjchem-2602	105	19	of	of	ADP
eurjchem-2602	105	20	existing	exist	VERB
eurjchem-2602	105	21	literature	literature	NOUN
eurjchem-2602	106	1	[	[	X
eurjchem-2602	106	2	38,39	38,39	NOUN
eurjchem-2602	106	3	]	]	PUNCT
eurjchem-2602	106	4	and	and	CCONJ
eurjchem-2602	106	5	empirical	empirical	ADJ
eurjchem-2602	106	6	studies	study	NOUN
eurjchem-2602	106	7	;	;	PUNCT
eurjchem-2602	106	8	its	its	PRON
eurjchem-2602	106	9	structural	structural	ADJ
eurjchem-2602	106	10	data	datum	NOUN
eurjchem-2602	106	11	were	be	AUX
eurjchem-2602	106	12	obtained	obtain	VERB
eurjchem-2602	106	13	from	from	ADP
eurjchem-2602	106	14	the	the	DET
eurjchem-2602	106	15	protein	protein	NOUN
eurjchem-2602	106	16	data	data	PROPN
eurjchem-2602	106	17	bank	bank	PROPN
eurjchem-2602	106	18	(	(	PUNCT
eurjchem-2602	106	19	pdb	pdb	PROPN
eurjchem-2602	106	20	)	)	PUNCT
eurjchem-2602	106	21	under	under	ADP
eurjchem-2602	106	22	the	the	DET
eurjchem-2602	106	23	identifiers	identifier	NOUN
eurjchem-2602	106	24	2xw7	2xw7	NUM
eurjchem-2602	106	25	,	,	PUNCT
eurjchem-2602	106	26	4qt5	4qt5	NUM
eurjchem-2602	106	27	and	and	CCONJ
eurjchem-2602	106	28	7xw7	7xw7	NUM
eurjchem-2602	106	29	.	.	PUNCT
eurjchem-2602	107	1	the	the	DET
eurjchem-2602	107	2	hex	hex	PROPN
eurjchem-2602	107	3	software	software	NOUN
eurjchem-2602	107	4	[	[	X
eurjchem-2602	107	5	40	40	NUM
eurjchem-2602	107	6	]	]	X
eurjchem-2602	107	7	,	,	PUNCT
eurjchem-2602	107	8	an	an	DET
eurjchem-2602	107	9	interactive	interactive	ADJ
eurjchem-2602	107	10	tool	tool	NOUN
eurjchem-2602	107	11	for	for	ADP
eurjchem-2602	107	12	molecular	molecular	ADJ
eurjchem-2602	107	13	docking	docking	NOUN
eurjchem-2602	107	14	studies	study	NOUN
eurjchem-2602	107	15	,	,	PUNCT
eurjchem-2602	107	16	was	be	AUX
eurjchem-2602	107	17	used	use	VERB
eurjchem-2602	107	18	for	for	ADP
eurjchem-2602	107	19	this	this	DET
eurjchem-2602	107	20	investigation	investigation	NOUN
eurjchem-2602	107	21	.	.	PUNCT
eurjchem-2602	108	1	hex	hex	PROPN
eurjchem-2602	108	2	is	be	AUX
eurjchem-2602	108	3	capable	capable	ADJ
eurjchem-2602	108	4	of	of	ADP
eurjchem-2602	108	5	processing	process	VERB
eurjchem-2602	108	6	pdb	pdb	NOUN
eurjchem-2602	108	7	files	file	NOUN
eurjchem-2602	108	8	for	for	ADP
eurjchem-2602	108	9	protein	protein	NOUN
eurjchem-2602	108	10	structures	structure	NOUN
eurjchem-2602	108	11	and	and	CCONJ
eurjchem-2602	108	12	sdf	sdf	NOUN
eurjchem-2602	108	13	files	file	NOUN
eurjchem-2602	108	14	for	for	ADP
eurjchem-2602	108	15	small	small	ADJ
eurjchem-2602	108	16	molecules	molecule	NOUN
eurjchem-2602	108	17	.	.	PUNCT
eurjchem-2602	109	1	the	the	DET
eurjchem-2602	109	2	hex	hex	PROPN
eurjchem-2602	109	3	8.0.0	8.0.0	NUM
eurjchem-2602	109	4	application	application	NOUN
eurjchem-2602	109	5	,	,	PUNCT
eurjchem-2602	109	6	installed	instal	VERB
eurjchem-2602	109	7	on	on	ADP
eurjchem-2602	109	8	a	a	DET
eurjchem-2602	109	9	windows	window	NOUN
eurjchem-2602	109	10	operating	operating	NOUN
eurjchem-2602	109	11	system	system	NOUN
eurjchem-2602	109	12	,	,	PUNCT
eurjchem-2602	109	13	facilitated	facilitate	VERB
eurjchem-2602	109	14	the	the	DET
eurjchem-2602	109	15	execution	execution	NOUN
eurjchem-2602	109	16	of	of	ADP
eurjchem-2602	109	17	blinddocking	blinddocke	VERB
eurjchem-2602	109	18	experiments	experiment	NOUN
eurjchem-2602	109	19	.	.	PUNCT
eurjchem-2602	110	1	three	three	NUM
eurjchem-2602	110	2	distinct	distinct	ADJ
eurjchem-2602	110	3	methodologies	methodology	NOUN
eurjchem-2602	110	4	were	be	AUX
eurjchem-2602	110	5	implemented	implement	VERB
eurjchem-2602	110	6	in	in	ADP
eurjchem-2602	110	7	three	three	NUM
eurjchem-2602	110	8	separate	separate	ADJ
eurjchem-2602	110	9	experiments	experiment	NOUN
eurjchem-2602	110	10	involving	involve	VERB
eurjchem-2602	110	11	optimized	optimize	VERB
eurjchem-2602	110	12	protein	protein	NOUN
eurjchem-2602	110	13	structures	structure	NOUN
eurjchem-2602	110	14	,	,	PUNCT
eurjchem-2602	110	15	in	in	ADP
eurjchem-2602	110	16	which	which	PRON
eurjchem-2602	110	17	pharmaceuticals	pharmaceutical	NOUN
eurjchem-2602	110	18	acted	act	VERB
eurjchem-2602	110	19	as	as	ADP
eurjchem-2602	110	20	ligands	ligand	NOUN
eurjchem-2602	110	21	and	and	CCONJ
eurjchem-2602	110	22	protein	protein	NOUN
eurjchem-2602	110	23	served	serve	VERB
eurjchem-2602	110	24	as	as	ADP
eurjchem-2602	110	25	the	the	DET
eurjchem-2602	110	26	receptor	receptor	NOUN
eurjchem-2602	110	27	:	:	PUNCT
eurjchem-2602	110	28	shape	shape	NOUN
eurjchem-2602	110	29	(	(	PUNCT
eurjchem-2602	110	30	and	and	CCONJ
eurjchem-2602	110	31	only	only	ADV
eurjchem-2602	110	32	shape	shape	NOUN
eurjchem-2602	110	33	)	)	PUNCT
eurjchem-2602	110	34	,	,	PUNCT
eurjchem-2602	110	35	shape	shape	VERB
eurjchem-2602	110	36	+	+	CCONJ
eurjchem-2602	110	37	electrostatic	electrostatic	ADJ
eurjchem-2602	110	38	,	,	PUNCT
eurjchem-2602	110	39	and	and	CCONJ
eurjchem-2602	110	40	shape	shape	VERB
eurjchem-2602	110	41	+	+	CCONJ
eurjchem-2602	110	42	electrostatic	electrostatic	ADJ
eurjchem-2602	110	43	+	+	NUM
eurjchem-2602	110	44	dars	dar	NOUN
eurjchem-2602	110	45	with	with	ADP
eurjchem-2602	110	46	macro	macro	ADJ
eurjchem-2602	110	47	sampling	sampling	NOUN
eurjchem-2602	110	48	.	.	PUNCT
eurjchem-2602	111	1	these	these	DET
eurjchem-2602	111	2	methodologies	methodology	NOUN
eurjchem-2602	111	3	were	be	AUX
eurjchem-2602	111	4	employed	employ	VERB
eurjchem-2602	111	5	to	to	PART
eurjchem-2602	111	6	assess	assess	VERB
eurjchem-2602	111	7	the	the	DET
eurjchem-2602	111	8	structural	structural	ADJ
eurjchem-2602	111	9	compatibility	compatibility	NOUN
eurjchem-2602	111	10	of	of	ADP
eurjchem-2602	111	11	compounds	compound	NOUN
eurjchem-2602	111	12	with	with	ADP
eurjchem-2602	111	13	the	the	DET
eurjchem-2602	111	14	active	active	ADJ
eurjchem-2602	111	15	sites	site	NOUN
eurjchem-2602	111	16	of	of	ADP
eurjchem-2602	111	17	proteins	protein	NOUN
eurjchem-2602	111	18	,	,	PUNCT
eurjchem-2602	111	19	as	as	ADV
eurjchem-2602	111	20	well	well	ADV
eurjchem-2602	111	21	as	as	ADP
eurjchem-2602	111	22	to	to	PART
eurjchem-2602	111	23	evaluate	evaluate	VERB
eurjchem-2602	111	24	nonbonding	nonbonding	NOUN
eurjchem-2602	111	25	interactions	interaction	NOUN
eurjchem-2602	111	26	,	,	PUNCT
eurjchem-2602	111	27	including	include	VERB
eurjchem-2602	111	28	electrostatic	electrostatic	ADJ
eurjchem-2602	111	29	forces	force	NOUN
eurjchem-2602	111	30	and	and	CCONJ
eurjchem-2602	111	31	hydrogen	hydrogen	NOUN
eurjchem-2602	111	32	bonds	bond	NOUN
eurjchem-2602	111	33	.	.	PUNCT
eurjchem-2602	112	1	the	the	DET
eurjchem-2602	112	2	optimal	optimal	ADJ
eurjchem-2602	112	3	pose	pose	NOUN
eurjchem-2602	112	4	and	and	CCONJ
eurjchem-2602	112	5	binding	bind	VERB
eurjchem-2602	112	6	energies	energy	NOUN
eurjchem-2602	112	7	for	for	ADP
eurjchem-2602	112	8	100	100	NUM
eurjchem-2602	112	9	different	different	ADJ
eurjchem-2602	112	10	configurations	configuration	NOUN
eurjchem-2602	112	11	were	be	AUX
eurjchem-2602	112	12	recorded	record	VERB
eurjchem-2602	112	13	.	.	PUNCT
eurjchem-2602	113	1	the	the	DET
eurjchem-2602	113	2	docking	dock	VERB
eurjchem-2602	113	3	parameters	parameter	NOUN
eurjchem-2602	113	4	for	for	ADP
eurjchem-2602	113	5	the	the	DET
eurjchem-2602	113	6	hex	hex	PROPN
eurjchem-2602	113	7	8.0.0	8.0.0	NUM
eurjchem-2602	113	8	software	software	NOUN
eurjchem-2602	113	9	are	be	AUX
eurjchem-2602	113	10	presented	present	VERB
eurjchem-2602	113	11	in	in	ADP
eurjchem-2602	113	12	table	table	NOUN
eurjchem-2602	113	13	2	2	NUM
eurjchem-2602	113	14	.	.	X
eurjchem-2602	113	15	10	10	NUM
eurjchem-2602	113	16	gandhi	gandhi	PROPN
eurjchem-2602	113	17	et	et	PROPN
eurjchem-2602	113	18	al	al	PROPN
eurjchem-2602	113	19	.	.	PUNCT
eurjchem-2602	113	20	/	/	SYM
eurjchem-2602	113	21	european	european	PROPN
eurjchem-2602	113	22	journal	journal	PROPN
eurjchem-2602	113	23	of	of	ADP
eurjchem-2602	113	24	chemistry	chemistry	NOUN
eurjchem-2602	113	25	16	16	NUM
eurjchem-2602	113	26	(	(	PUNCT
eurjchem-2602	113	27	1	1	NUM
eurjchem-2602	113	28	)	)	PUNCT
eurjchem-2602	113	29	(	(	PUNCT
eurjchem-2602	113	30	2025	2025	NUM
eurjchem-2602	113	31	)	)	PUNCT
eurjchem-2602	113	32	7	7	NUM
eurjchem-2602	113	33	-	-	SYM
eurjchem-2602	113	34	19	19	NUM
eurjchem-2602	113	35	2025	2025	NUM
eurjchem-2602	113	36	–	–	PUNCT
eurjchem-2602	113	37	european	european	ADJ
eurjchem-2602	113	38	journal	journal	NOUN
eurjchem-2602	113	39	of	of	ADP
eurjchem-2602	113	40	chemistry	chemistry	NOUN
eurjchem-2602	113	41	–	–	PUNCT
eurjchem-2602	113	42	cc	cc	NOUN
eurjchem-2602	113	43	by	by	ADP
eurjchem-2602	113	44	nc	nc	PROPN
eurjchem-2602	113	45	–	–	PUNCT
eurjchem-2602	113	46	doi	doi	PROPN
eurjchem-2602	113	47	:	:	PUNCT
eurjchem-2602	113	48	10.5155	10.5155	NUM
eurjchem-2602	113	49	/	/	SYM
eurjchem-2602	113	50	eurjchem.16.1.7	eurjchem.16.1.7	PROPN
eurjchem-2602	113	51	-	-	PUNCT
eurjchem-2602	113	52	19.2602	19.2602	NUM
eurjchem-2602	113	53	table	table	NOUN
eurjchem-2602	113	54	3	3	NUM
eurjchem-2602	113	55	.	.	PUNCT
eurjchem-2602	113	56	bond	bond	NOUN
eurjchem-2602	113	57	distance	distance	NOUN
eurjchem-2602	113	58	(	(	PUNCT
eurjchem-2602	113	59	å	å	NOUN
eurjchem-2602	113	60	)	)	PUNCT
eurjchem-2602	113	61	,	,	PUNCT
eurjchem-2602	113	62	bond	bond	NOUN
eurjchem-2602	113	63	angle	angle	NOUN
eurjchem-2602	113	64	(	(	PUNCT
eurjchem-2602	113	65	°	°	NOUN
eurjchem-2602	113	66	)	)	PUNCT
eurjchem-2602	113	67	,	,	PUNCT
eurjchem-2602	113	68	and	and	CCONJ
eurjchem-2602	113	69	torsion	torsion	NOUN
eurjchem-2602	113	70	angles	angle	NOUN
eurjchem-2602	113	71	(	(	PUNCT
eurjchem-2602	113	72	°	°	NOUN
eurjchem-2602	113	73	)	)	PUNCT
eurjchem-2602	113	74	involving	involve	VERB
eurjchem-2602	113	75	non	non	ADJ
eurjchem-2602	113	76	-	-	ADJ
eurjchem-2602	113	77	hydrogen	hydrogen	ADJ
eurjchem-2602	113	78	atoms	atom	NOUN
eurjchem-2602	113	79	by	by	ADP
eurjchem-2602	113	80	x	x	NOUN
eurjchem-2602	113	81	-	-	NOUN
eurjchem-2602	113	82	ray	ray	NOUN
eurjchem-2602	113	83	diffraction	diffraction	NOUN
eurjchem-2602	113	84	data	datum	NOUN
eurjchem-2602	113	85	(	(	PUNCT
eurjchem-2602	113	86	with	with	ADP
eurjchem-2602	113	87	estimated	estimate	VERB
eurjchem-2602	113	88	standard	standard	ADJ
eurjchem-2602	113	89	deviation	deviation	NOUN
eurjchem-2602	113	90	in	in	ADP
eurjchem-2602	113	91	parentheses	parenthesis	NOUN
eurjchem-2602	113	92	)	)	PUNCT
eurjchem-2602	113	93	.	.	PUNCT
eurjchem-2602	114	1	bond	bond	NOUN
eurjchem-2602	114	2	lengths	length	NOUN
eurjchem-2602	114	3	(	(	PUNCT
eurjchem-2602	114	4	å	å	NOUN
eurjchem-2602	114	5	)	)	PUNCT
eurjchem-2602	114	6	x	x	NOUN
eurjchem-2602	114	7	-	-	NOUN
eurjchem-2602	114	8	ray	ray	NOUN
eurjchem-2602	114	9	bond	bond	NOUN
eurjchem-2602	114	10	angles	angle	NOUN
eurjchem-2602	114	11	(	(	PUNCT
eurjchem-2602	114	12	°	°	NOUN
eurjchem-2602	114	13	)	)	PUNCT
eurjchem-2602	114	14	x	x	NOUN
eurjchem-2602	114	15	-	-	NOUN
eurjchem-2602	114	16	ray	ray	NOUN
eurjchem-2602	114	17	torsional	torsional	NOUN
eurjchem-2602	114	18	angles	angle	NOUN
eurjchem-2602	114	19	(	(	PUNCT
eurjchem-2602	114	20	°	°	NOUN
eurjchem-2602	114	21	)	)	PUNCT
eurjchem-2602	114	22	x	x	NOUN
eurjchem-2602	114	23	-	-	NOUN
eurjchem-2602	114	24	ray	ray	VERB
eurjchem-2602	114	25	n1c1	n1c1	ADP
eurjchem-2602	114	26	1.330(4	1.330(4	NUM
eurjchem-2602	114	27	)	)	PUNCT
eurjchem-2602	114	28	c1n1c5	c1n1c5	ADJ
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eurjchem-2602	114	30	)	)	PUNCT
eurjchem-2602	114	31	c9	c9	NOUN
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eurjchem-2602	114	33	c4	c4	NOUN
eurjchem-2602	114	34	-	-	PUNCT
eurjchem-2602	114	35	c5	c5	PROPN
eurjchem-2602	114	36	-	-	PUNCT
eurjchem-2602	114	37	c6	c6	PROPN
eurjchem-2602	114	38	-0.7(5	-0.7(5	PROPN
eurjchem-2602	114	39	)	)	PUNCT
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eurjchem-2602	114	42	)	)	PUNCT
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eurjchem-2602	114	44	125.8(3	125.8(3	NUM
eurjchem-2602	114	45	)	)	PUNCT
eurjchem-2602	114	46	c9	c9	NOUN
eurjchem-2602	114	47	-	-	PUNCT
eurjchem-2602	114	48	c4	c4	NOUN
eurjchem-2602	114	49	-	-	PUNCT
eurjchem-2602	114	50	c5	c5	PROPN
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eurjchem-2602	114	52	n1	n1	PROPN
eurjchem-2602	114	53	179.4(3	179.4(3	NUM
eurjchem-2602	114	54	)	)	PUNCT
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eurjchem-2602	114	56	1.392(4	1.392(4	X
eurjchem-2602	114	57	)	)	PUNCT
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eurjchem-2602	114	59	126.1(3	126.1(3	NUM
eurjchem-2602	114	60	)	)	PUNCT
eurjchem-2602	114	61	n1	n1	PROPN
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eurjchem-2602	114	63	c5	c5	PROPN
eurjchem-2602	114	64	-	-	PUNCT
eurjchem-2602	114	65	c6	c6	PROPN
eurjchem-2602	114	66	-	-	PUNCT
eurjchem-2602	114	67	c7	c7	PROPN
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eurjchem-2602	114	69	)	)	PUNCT
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eurjchem-2602	114	72	)	)	PUNCT
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eurjchem-2602	114	75	)	)	PUNCT
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eurjchem-2602	114	80	c4	c4	NOUN
eurjchem-2602	114	81	-	-	PUNCT
eurjchem-2602	114	82	c9	c9	NOUN
eurjchem-2602	114	83	1.8(6	1.8(6	NUM
eurjchem-2602	114	84	)	)	PUNCT
eurjchem-2602	114	85	n2c3	n2c3	NOUN
eurjchem-2602	114	86	1.463(4	1.463(4	NOUN
eurjchem-2602	114	87	)	)	PUNCT
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eurjchem-2602	114	90	)	)	PUNCT
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eurjchem-2602	114	93	n2	n2	ADJ
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eurjchem-2602	114	95	c1	c1	NOUN
eurjchem-2602	114	96	-	-	PUNCT
eurjchem-2602	114	97	n1	n1	PROPN
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eurjchem-2602	114	102	)	)	PUNCT
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eurjchem-2602	114	105	)	)	PUNCT
eurjchem-2602	114	106	c2	c2	PROPN
eurjchem-2602	114	107	-	-	PUNCT
eurjchem-2602	114	108	n1	n1	NOUN
eurjchem-2602	114	109	-	-	PUNCT
eurjchem-2602	114	110	c1	c1	NOUN
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eurjchem-2602	114	112	n2	n2	NOUN
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eurjchem-2602	114	114	)	)	PUNCT
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eurjchem-2602	114	117	)	)	PUNCT
eurjchem-2602	114	118	n1c1n2	n1c1n2	ADJ
eurjchem-2602	114	119	110.2(3	110.2(3	NUM
eurjchem-2602	114	120	)	)	PUNCT
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eurjchem-2602	114	123	)	)	PUNCT
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eurjchem-2602	114	126	)	)	PUNCT
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eurjchem-2602	114	129	)	)	PUNCT
eurjchem-2602	114	130	c5c4c9	c5c4c9	PROPN
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eurjchem-2602	114	139	)	)	PUNCT
eurjchem-2602	114	140	c7	c7	PROPN
eurjchem-2602	114	141	-c8	-c8	PUNCT
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eurjchem-2602	114	150	)	)	PUNCT
eurjchem-2602	114	151	c4c5n1	c4c5n1	PROPN
eurjchem-2602	114	152	106.7(3	106.7(3	PROPN
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eurjchem-2602	114	165	c8c7	c8c7	PROPN
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eurjchem-2602	114	172	)	)	PUNCT
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eurjchem-2602	114	177	)	)	PUNCT
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eurjchem-2602	114	179	4	4	NUM
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eurjchem-2602	114	184	π	π	PROPN
eurjchem-2602	114	185	-	-	PROPN
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eurjchem-2602	114	191	molecule	molecule	NOUN
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eurjchem-2602	114	193	.	.	PUNCT
eurjchem-2602	115	1	d	d	X
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eurjchem-2602	115	3	h···a	h···a	ADJ
eurjchem-2602	115	4	d	d	NOUN
eurjchem-2602	115	5	-	-	PUNCT
eurjchem-2602	115	6	h	h	NOUN
eurjchem-2602	115	7	,	,	PUNCT
eurjchem-2602	115	8	å	å	PROPN
eurjchem-2602	115	9	d	d	PROPN
eurjchem-2602	115	10	-	-	PUNCT
eurjchem-2602	115	11	a	a	NOUN
eurjchem-2602	115	12	,	,	PUNCT
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eurjchem-2602	115	14	h···a	h···a	PROPN
eurjchem-2602	115	15	,	,	PUNCT
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eurjchem-2602	115	17	∠	∠	PROPN
eurjchem-2602	115	18	d	d	PROPN
eurjchem-2602	115	19	-	-	PUNCT
eurjchem-2602	115	20	h···a	h···a	PROPN
eurjchem-2602	115	21	,	,	PUNCT
eurjchem-2602	115	22	°	°	PROPN
eurjchem-2602	116	1	c2	c2	PROPN
eurjchem-2602	116	2	-	-	PUNCT
eurjchem-2602	116	3	h2a···ow1	h2a···ow1	PROPN
eurjchem-2602	116	4	(	(	PUNCT
eurjchem-2602	116	5	i	i	NOUN
eurjchem-2602	116	6	)	)	PUNCT
eurjchem-2602	116	7	0.960(4	0.960(4	NUM
eurjchem-2602	116	8	)	)	PUNCT
eurjchem-2602	116	9	3.519(7	3.519(7	NUM
eurjchem-2602	116	10	)	)	PUNCT
eurjchem-2602	116	11	2.660(6	2.660(6	NUM
eurjchem-2602	116	12	)	)	PUNCT
eurjchem-2602	116	13	149.19(29	149.19(29	NUM
eurjchem-2602	116	14	)	)	PUNCT
eurjchem-2602	116	15	c6	c6	PROPN
eurjchem-2602	116	16	-	-	PUNCT
eurjchem-2602	116	17	h6···ow1	h6···ow1	PROPN
eurjchem-2602	116	18	(	(	PUNCT
eurjchem-2602	116	19	i	i	NOUN
eurjchem-2602	116	20	)	)	PUNCT
eurjchem-2602	116	21	0.930(4	0.930(4	PROPN
eurjchem-2602	116	22	)	)	PUNCT
eurjchem-2602	116	23	3.620(8	3.620(8	NUM
eurjchem-2602	116	24	)	)	PUNCT
eurjchem-2602	116	25	2.786(6	2.786(6	NUM
eurjchem-2602	116	26	)	)	PUNCT
eurjchem-2602	116	27	149.68(28	149.68(28	NUM
eurjchem-2602	116	28	)	)	PUNCT
eurjchem-2602	116	29	ow1	ow1	PROPN
eurjchem-2602	116	30	-	-	PUNCT
eurjchem-2602	116	31	h1b···i	h1b···i	PROPN
eurjchem-2602	116	32	(	(	PUNCT
eurjchem-2602	116	33	ii	ii	PROPN
eurjchem-2602	116	34	)	)	PUNCT
eurjchem-2602	116	35	0.859(5	0.859(5	NUM
eurjchem-2602	116	36	)	)	PUNCT
eurjchem-2602	116	37	3.647(4	3.647(4	NUM
eurjchem-2602	116	38	)	)	PUNCT
eurjchem-2602	116	39	2.883(4	2.883(4	NUM
eurjchem-2602	116	40	)	)	PUNCT
eurjchem-2602	116	41	158.69(20	158.69(20	NUM
eurjchem-2602	116	42	)	)	PUNCT
eurjchem-2602	116	43	cg(i)-cg(j	cg(i)-cg(j	PROPN
eurjchem-2602	116	44	)	)	PUNCT
eurjchem-2602	116	45	cg(i)···cg(j	cg(i)···cg(j	PROPN
eurjchem-2602	116	46	)	)	PUNCT
eurjchem-2602	116	47	,	,	PUNCT
eurjchem-2602	116	48	å	å	PROPN
eurjchem-2602	116	49	α	α	NOUN
eurjchem-2602	116	50	,	,	PUNCT
eurjchem-2602	116	51	°	°	NOUN
eurjchem-2602	116	52	β	β	NOUN
eurjchem-2602	116	53	,	,	PUNCT
eurjchem-2602	116	54	°	°	CCONJ
eurjchem-2602	117	1	γ	γ	PROPN
eurjchem-2602	117	2	,	,	PUNCT
eurjchem-2602	117	3	°	°	NUM
eurjchem-2602	117	4	cg(i)···p	cg(i)···p	NOUN
eurjchem-2602	117	5	,	,	PUNCT
eurjchem-2602	117	6	å	å	PROPN
eurjchem-2602	117	7	cg(1)-cg(2	cg(1)-cg(2	NOUN
eurjchem-2602	117	8	)	)	PUNCT
eurjchem-2602	117	9	(	(	PUNCT
eurjchem-2602	117	10	iii	iii	NOUN
eurjchem-2602	117	11	)	)	PUNCT
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eurjchem-2602	117	13	)	)	PUNCT
eurjchem-2602	117	14	0.45	0.45	NUM
eurjchem-2602	117	15	12.49	12.49	NUM
eurjchem-2602	117	16	12.17	12.17	NUM
eurjchem-2602	117	17	3.5604	3.5604	NUM
eurjchem-2602	117	18	*	*	PUNCT
eurjchem-2602	117	19	symmetry	symmetry	NOUN
eurjchem-2602	117	20	codes	code	NOUN
eurjchem-2602	117	21	:	:	PUNCT
eurjchem-2602	117	22	(	(	PUNCT
eurjchem-2602	117	23	i	i	NOUN
eurjchem-2602	117	24	)	)	PUNCT
eurjchem-2602	117	25	x	x	PROPN
eurjchem-2602	117	26	,	,	PUNCT
eurjchem-2602	117	27	y	y	PROPN
eurjchem-2602	117	28	,	,	PUNCT
eurjchem-2602	117	29	z	z	NOUN
eurjchem-2602	117	30	;	;	PUNCT
eurjchem-2602	117	31	(	(	PUNCT
eurjchem-2602	117	32	ii	ii	NOUN
eurjchem-2602	117	33	)	)	PUNCT
eurjchem-2602	117	34	x	x	NOUN
eurjchem-2602	117	35	,	,	PUNCT
eurjchem-2602	117	36	1+y	1+y	NUM
eurjchem-2602	117	37	,	,	PUNCT
eurjchem-2602	117	38	z	z	NOUN
eurjchem-2602	117	39	;	;	PUNCT
eurjchem-2602	117	40	(	(	PUNCT
eurjchem-2602	117	41	iii	iii	X
eurjchem-2602	117	42	)	)	PUNCT
eurjchem-2602	117	43	-x+2	-x+2	PROPN
eurjchem-2602	117	44	,	,	PUNCT
eurjchem-2602	117	45	-y	-y	PUNCT
eurjchem-2602	117	46	,	,	PUNCT
eurjchem-2602	117	47	-z+1	-z+1	PROPN
eurjchem-2602	117	48	;	;	PUNCT
eurjchem-2602	117	49	cg	cg	X
eurjchem-2602	117	50	(	(	PUNCT
eurjchem-2602	117	51	1	1	NUM
eurjchem-2602	117	52	)	)	PUNCT
eurjchem-2602	117	53	and	and	CCONJ
eurjchem-2602	117	54	cg(2	cg(2	NOUN
eurjchem-2602	117	55	)	)	PUNCT
eurjchem-2602	117	56	represent	represent	VERB
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eurjchem-2602	117	62	(	(	PUNCT
eurjchem-2602	117	63	n1	n1	NOUN
eurjchem-2602	117	64	-	-	PUNCT
eurjchem-2602	117	65	c1	c1	NOUN
eurjchem-2602	117	66	-	-	PUNCT
eurjchem-2602	117	67	n2	n2	NOUN
eurjchem-2602	117	68	-	-	PUNCT
eurjchem-2602	117	69	c4	c4	NOUN
eurjchem-2602	117	70	-	-	PUNCT
eurjchem-2602	117	71	c5	c5	PROPN
eurjchem-2602	117	72	)	)	PUNCT
eurjchem-2602	117	73	and	and	CCONJ
eurjchem-2602	117	74	(	(	PUNCT
eurjchem-2602	117	75	c4	c4	NOUN
eurjchem-2602	117	76	-	-	PUNCT
eurjchem-2602	117	77	c5	c5	PROPN
eurjchem-2602	117	78	-	-	PUNCT
eurjchem-2602	117	79	c6	c6	PROPN
eurjchem-2602	117	80	-	-	PUNCT
eurjchem-2602	117	81	c7	c7	PROPN
eurjchem-2602	117	82	-	-	PUNCT
eurjchem-2602	117	83	c8	c8	PROPN
eurjchem-2602	117	84	-	-	PUNCT
eurjchem-2602	117	85	c9	c9	NOUN
eurjchem-2602	117	86	)	)	PUNCT
eurjchem-2602	117	87	,	,	PUNCT
eurjchem-2602	117	88	respectively	respectively	ADV
eurjchem-2602	117	89	.	.	PUNCT
eurjchem-2602	118	1	figure	figure	NOUN
eurjchem-2602	118	2	1	1	NUM
eurjchem-2602	118	3	.	.	PUNCT
eurjchem-2602	119	1	ortep	ortep	ADJ
eurjchem-2602	119	2	view	view	NOUN
eurjchem-2602	119	3	of	of	ADP
eurjchem-2602	119	4	1,3	1,3	NUM
eurjchem-2602	119	5	-	-	PUNCT
eurjchem-2602	119	6	dimethyl-3h	dimethyl-3h	NOUN
eurjchem-2602	119	7	-	-	PUNCT
eurjchem-2602	119	8	benzimidazol-1	benzimidazol-1	NUM
eurjchem-2602	119	9	-	-	PUNCT
eurjchem-2602	119	10	ium	ium	NOUN
eurjchem-2602	119	11	iodide	iodide	NOUN
eurjchem-2602	119	12	monohydrate	monohydrate	NOUN
eurjchem-2602	119	13	(	(	PUNCT
eurjchem-2602	119	14	dbziw	dbziw	ADV
eurjchem-2602	119	15	)	)	PUNCT
eurjchem-2602	119	16	with	with	ADP
eurjchem-2602	119	17	thermal	thermal	ADJ
eurjchem-2602	119	18	ellipsoids	ellipsoid	NOUN
eurjchem-2602	119	19	at	at	ADP
eurjchem-2602	119	20	50	50	NUM
eurjchem-2602	119	21	%	%	NOUN
eurjchem-2602	119	22	probability	probability	NOUN
eurjchem-2602	119	23	level	level	NOUN
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eurjchem-2602	120	2	.	.	NOUN
eurjchem-2602	120	3	results	result	NOUN
eurjchem-2602	120	4	and	and	CCONJ
eurjchem-2602	120	5	discussion	discussion	NOUN
eurjchem-2602	120	6	3.1	3.1	NUM
eurjchem-2602	120	7	.	.	PUNCT
eurjchem-2602	121	1	crystal	crystal	NOUN
eurjchem-2602	121	2	structure	structure	NOUN
eurjchem-2602	121	3	the	the	DET
eurjchem-2602	121	4	compound	compound	NOUN
eurjchem-2602	121	5	under	under	ADP
eurjchem-2602	121	6	investigation	investigation	NOUN
eurjchem-2602	121	7	,	,	PUNCT
eurjchem-2602	121	8	1,3	1,3	NUM
eurjchem-2602	121	9	-	-	PUNCT
eurjchem-2602	121	10	dimethyl-3hbenzimidazol-1	dimethyl-3hbenzimidazol-1	NOUN
eurjchem-2602	121	11	-	-	PUNCT
eurjchem-2602	121	12	ium	ium	NOUN
eurjchem-2602	121	13	iodide	iodide	NOUN
eurjchem-2602	121	14	monohydrate	monohydrate	NOUN
eurjchem-2602	121	15	(	(	PUNCT
eurjchem-2602	121	16	dbziw	dbziw	ADV
eurjchem-2602	121	17	)	)	PUNCT
eurjchem-2602	121	18	,	,	PUNCT
eurjchem-2602	121	19	with	with	ADP
eurjchem-2602	121	20	the	the	DET
eurjchem-2602	121	21	molecular	molecular	ADJ
eurjchem-2602	121	22	formula	formula	NOUN
eurjchem-2602	121	23	c9h13n2io	c9h13n2io	PROPN
eurjchem-2602	121	24	,	,	PUNCT
eurjchem-2602	121	25	crystallizes	crystallize	VERB
eurjchem-2602	121	26	within	within	ADP
eurjchem-2602	121	27	a	a	DET
eurjchem-2602	121	28	monoclinic	monoclinic	ADJ
eurjchem-2602	121	29	system	system	NOUN
eurjchem-2602	121	30	characterized	characterize	VERB
eurjchem-2602	121	31	by	by	ADP
eurjchem-2602	121	32	the	the	DET
eurjchem-2602	121	33	space	space	NOUN
eurjchem-2602	121	34	group	group	NOUN
eurjchem-2602	121	35	p21	p21	PROPN
eurjchem-2602	121	36	/	/	SYM
eurjchem-2602	121	37	c	c	PROPN
eurjchem-2602	121	38	and	and	CCONJ
eurjchem-2602	121	39	a	a	DET
eurjchem-2602	121	40	z	z	NOUN
eurjchem-2602	121	41	value	value	NOUN
eurjchem-2602	121	42	of	of	ADP
eurjchem-2602	121	43	4	4	NUM
eurjchem-2602	121	44	.	.	PUNCT
eurjchem-2602	122	1	the	the	DET
eurjchem-2602	122	2	lattice	lattice	PROPN
eurjchem-2602	122	3	parameters	parameter	NOUN
eurjchem-2602	122	4	are	be	AUX
eurjchem-2602	122	5	defined	define	VERB
eurjchem-2602	122	6	as	as	SCONJ
eurjchem-2602	122	7	follows	follow	VERB
eurjchem-2602	122	8	:	:	PUNCT
eurjchem-2602	122	9	a	a	DET
eurjchem-2602	122	10	=	=	SYM
eurjchem-2602	122	11	8.9323(4	8.9323(4	NOUN
eurjchem-2602	122	12	)	)	PUNCT
eurjchem-2602	123	1	å	å	PROPN
eurjchem-2602	123	2	,	,	PUNCT
eurjchem-2602	123	3	b	b	X
eurjchem-2602	123	4	=	=	SYM
eurjchem-2602	123	5	7.1654(3	7.1654(3	X
eurjchem-2602	123	6	)	)	PUNCT
eurjchem-2602	124	1	å	å	NOUN
eurjchem-2602	124	2	,	,	PUNCT
eurjchem-2602	124	3	c	c	NOUN
eurjchem-2602	124	4	=	=	SYM
eurjchem-2602	124	5	17.6425(8	17.6425(8	NUM
eurjchem-2602	124	6	)	)	PUNCT
eurjchem-2602	124	7	å	å	NOUN
eurjchem-2602	124	8	,	,	PUNCT
eurjchem-2602	124	9	and	and	CCONJ
eurjchem-2602	124	10	β	β	X
eurjchem-2602	124	11	=	=	SYM
eurjchem-2602	124	12	101.432(2	101.432(2	NUM
eurjchem-2602	124	13	)	)	PUNCT
eurjchem-2602	124	14	°	°	PROPN
eurjchem-2602	124	15	.	.	PUNCT
eurjchem-2602	125	1	an	an	DET
eurjchem-2602	125	2	ortep	ortep	NOUN
eurjchem-2602	125	3	representation	representation	NOUN
eurjchem-2602	125	4	of	of	ADP
eurjchem-2602	125	5	the	the	DET
eurjchem-2602	125	6	compound	compound	NOUN
eurjchem-2602	125	7	,	,	PUNCT
eurjchem-2602	125	8	complete	complete	ADJ
eurjchem-2602	125	9	with	with	ADP
eurjchem-2602	125	10	an	an	DET
eurjchem-2602	125	11	atomic	atomic	ADJ
eurjchem-2602	125	12	numbering	numbering	NOUN
eurjchem-2602	125	13	scheme	scheme	NOUN
eurjchem-2602	125	14	and	and	CCONJ
eurjchem-2602	125	15	thermal	thermal	ADJ
eurjchem-2602	125	16	ellipsoids	ellipsoid	NOUN
eurjchem-2602	125	17	depicted	depict	VERB
eurjchem-2602	125	18	at	at	ADP
eurjchem-2602	125	19	a	a	DET
eurjchem-2602	125	20	50	50	NUM
eurjchem-2602	125	21	%	%	NOUN
eurjchem-2602	125	22	probability	probability	NOUN
eurjchem-2602	125	23	level	level	NOUN
eurjchem-2602	125	24	,	,	PUNCT
eurjchem-2602	125	25	is	be	AUX
eurjchem-2602	125	26	presented	present	VERB
eurjchem-2602	125	27	in	in	ADP
eurjchem-2602	125	28	figure	figure	NOUN
eurjchem-2602	125	29	1	1	NUM
eurjchem-2602	125	30	.	.	PUNCT
eurjchem-2602	125	31	table	table	NOUN
eurjchem-2602	125	32	3	3	NUM
eurjchem-2602	125	33	provides	provide	VERB
eurjchem-2602	125	34	detailed	detailed	ADJ
eurjchem-2602	125	35	information	information	NOUN
eurjchem-2602	125	36	regarding	regard	VERB
eurjchem-2602	125	37	bond	bond	NOUN
eurjchem-2602	125	38	distances	distance	NOUN
eurjchem-2602	125	39	(	(	PUNCT
eurjchem-2602	125	40	å	å	NOUN
eurjchem-2602	125	41	)	)	PUNCT
eurjchem-2602	125	42	,	,	PUNCT
eurjchem-2602	125	43	bond	bond	NOUN
eurjchem-2602	125	44	angles	angle	NOUN
eurjchem-2602	125	45	(	(	PUNCT
eurjchem-2602	125	46	°	°	NUM
eurjchem-2602	125	47	)	)	PUNCT
eurjchem-2602	125	48	,	,	PUNCT
eurjchem-2602	125	49	and	and	CCONJ
eurjchem-2602	125	50	torsion	torsion	NOUN
eurjchem-2602	125	51	angles	angle	NOUN
eurjchem-2602	125	52	(	(	PUNCT
eurjchem-2602	125	53	°	°	ADP
eurjchem-2602	125	54	)	)	PUNCT
eurjchem-2602	125	55	pertaining	pertain	VERB
eurjchem-2602	125	56	to	to	ADP
eurjchem-2602	125	57	non	non	ADJ
eurjchem-2602	125	58	-	-	ADJ
eurjchem-2602	125	59	hydrogen	hydrogen	ADJ
eurjchem-2602	125	60	atoms	atom	NOUN
eurjchem-2602	125	61	.	.	PUNCT
eurjchem-2602	126	1	the	the	DET
eurjchem-2602	126	2	stability	stability	NOUN
eurjchem-2602	126	3	of	of	ADP
eurjchem-2602	126	4	dbziw	dbziw	ADJ
eurjchem-2602	126	5	is	be	AUX
eurjchem-2602	126	6	attributed	attribute	VERB
eurjchem-2602	126	7	to	to	ADP
eurjchem-2602	126	8	a	a	DET
eurjchem-2602	126	9	network	network	NOUN
eurjchem-2602	126	10	of	of	ADP
eurjchem-2602	126	11	interactions	interaction	NOUN
eurjchem-2602	126	12	,	,	PUNCT
eurjchem-2602	126	13	including	include	VERB
eurjchem-2602	126	14	c	c	PROPN
eurjchem-2602	126	15	-	-	PUNCT
eurjchem-2602	126	16	h···o	h···o	PROPN
eurjchem-2602	126	17	,	,	PUNCT
eurjchem-2602	126	18	o	o	NOUN
eurjchem-2602	126	19	-	-	NOUN
eurjchem-2602	126	20	h···i	h···i	NOUN
eurjchem-2602	126	21	,	,	PUNCT
eurjchem-2602	126	22	and	and	CCONJ
eurjchem-2602	126	23	π	π	PROPN
eurjchem-2602	126	24	-	-	PUNCT
eurjchem-2602	126	25	π	π	NOUN
eurjchem-2602	126	26	interactions	interaction	NOUN
eurjchem-2602	126	27	.	.	PUNCT
eurjchem-2602	127	1	the	the	DET
eurjchem-2602	127	2	geometrical	geometrical	ADJ
eurjchem-2602	127	3	parameters	parameter	NOUN
eurjchem-2602	127	4	of	of	ADP
eurjchem-2602	127	5	both	both	CCONJ
eurjchem-2602	127	6	intramolecular	intramolecular	ADJ
eurjchem-2602	127	7	and	and	CCONJ
eurjchem-2602	127	8	intermolecular	intermolecular	ADJ
eurjchem-2602	127	9	hydrogen	hydrogen	NOUN
eurjchem-2602	127	10	bond	bond	NOUN
eurjchem-2602	127	11	interactions	interaction	NOUN
eurjchem-2602	127	12	are	be	AUX
eurjchem-2602	127	13	summarized	summarize	VERB
eurjchem-2602	127	14	in	in	ADP
eurjchem-2602	127	15	table	table	NOUN
eurjchem-2602	127	16	4	4	NUM
eurjchem-2602	127	17	.	.	PUNCT
eurjchem-2602	128	1	in	in	ADP
eurjchem-2602	128	2	the	the	DET
eurjchem-2602	128	3	context	context	NOUN
eurjchem-2602	128	4	of	of	ADP
eurjchem-2602	128	5	molecular	molecular	ADJ
eurjchem-2602	128	6	packing	packing	NOUN
eurjchem-2602	128	7	,	,	PUNCT
eurjchem-2602	128	8	the	the	DET
eurjchem-2602	128	9	halogen	halogen	NOUN
eurjchem-2602	128	10	iodine	iodine	NOUN
eurjchem-2602	128	11	and	and	CCONJ
eurjchem-2602	128	12	the	the	DET
eurjchem-2602	128	13	oxygen	oxygen	NOUN
eurjchem-2602	128	14	atoms	atom	NOUN
eurjchem-2602	128	15	of	of	ADP
eurjchem-2602	128	16	the	the	DET
eurjchem-2602	128	17	water	water	NOUN
eurjchem-2602	128	18	molecules	molecule	NOUN
eurjchem-2602	128	19	play	play	VERB
eurjchem-2602	128	20	a	a	DET
eurjchem-2602	128	21	pivotal	pivotal	ADJ
eurjchem-2602	128	22	role	role	NOUN
eurjchem-2602	128	23	.	.	PUNCT
eurjchem-2602	129	1	these	these	DET
eurjchem-2602	129	2	components	component	NOUN
eurjchem-2602	129	3	alternate	alternate	VERB
eurjchem-2602	129	4	in	in	ADP
eurjchem-2602	129	5	contributing	contribute	VERB
eurjchem-2602	129	6	to	to	ADP
eurjchem-2602	129	7	the	the	DET
eurjchem-2602	129	8	molecular	molecular	ADJ
eurjchem-2602	129	9	packing	packing	NOUN
eurjchem-2602	129	10	by	by	ADP
eurjchem-2602	129	11	forming	form	VERB
eurjchem-2602	129	12	o	o	ADJ
eurjchem-2602	129	13	-	-	PUNCT
eurjchem-2602	129	14	h···i	h···i	ADJ
eurjchem-2602	129	15	dimers	dimer	NOUN
eurjchem-2602	129	16	,	,	PUNCT
eurjchem-2602	129	17	wherein	wherein	SCONJ
eurjchem-2602	129	18	the	the	DET
eurjchem-2602	129	19	oxygen	oxygen	NOUN
eurjchem-2602	129	20	of	of	ADP
eurjchem-2602	129	21	the	the	DET
eurjchem-2602	129	22	water	water	NOUN
eurjchem-2602	129	23	molecule	molecule	NOUN
eurjchem-2602	129	24	acts	act	VERB
eurjchem-2602	129	25	as	as	ADP
eurjchem-2602	129	26	the	the	DET
eurjchem-2602	129	27	donor	donor	NOUN
eurjchem-2602	129	28	,	,	PUNCT
eurjchem-2602	129	29	while	while	SCONJ
eurjchem-2602	129	30	iodine	iodine	NOUN
eurjchem-2602	129	31	aligns	align	VERB
eurjchem-2602	129	32	to	to	PART
eurjchem-2602	129	33	create	create	VERB
eurjchem-2602	129	34	a	a	DET
eurjchem-2602	129	35	channel	channel	NOUN
eurjchem-2602	129	36	stabilized	stabilize	VERB
eurjchem-2602	129	37	by	by	ADP
eurjchem-2602	129	38	o	o	ADJ
eurjchem-2602	129	39	-	-	ADJ
eurjchem-2602	129	40	h···i	h···i	ADJ
eurjchem-2602	129	41	hydrogen	hydrogen	NOUN
eurjchem-2602	129	42	bond	bond	NOUN
eurjchem-2602	129	43	interactions	interaction	NOUN
eurjchem-2602	129	44	measuring	measure	VERB
eurjchem-2602	129	45	2.765(7	2.765(7	NUM
eurjchem-2602	129	46	)	)	PUNCT
eurjchem-2602	129	47	å	å	NOUN
eurjchem-2602	129	48	,	,	PUNCT
eurjchem-2602	129	49	as	as	SCONJ
eurjchem-2602	129	50	illustrated	illustrate	VERB
eurjchem-2602	129	51	in	in	ADP
eurjchem-2602	129	52	figure	figure	NOUN
eurjchem-2602	129	53	2	2	NUM
eurjchem-2602	129	54	.	.	PUNCT
eurjchem-2602	130	1	furthermore	furthermore	ADV
eurjchem-2602	130	2	,	,	PUNCT
eurjchem-2602	130	3	intramolecular	intramolecular	ADJ
eurjchem-2602	130	4	interactions	interaction	NOUN
eurjchem-2602	130	5	involving	involve	VERB
eurjchem-2602	130	6	the	the	DET
eurjchem-2602	130	7	donor	donor	NOUN
eurjchem-2602	130	8	c2	c2	PROPN
eurjchem-2602	130	9	via	via	ADP
eurjchem-2602	130	10	h2a	h2a	NOUN
eurjchem-2602	130	11	and	and	CCONJ
eurjchem-2602	130	12	c6	c6	PROPN
eurjchem-2602	130	13	via	via	ADP
eurjchem-2602	130	14	h6	h6	PROPN
eurjchem-2602	130	15	with	with	ADP
eurjchem-2602	130	16	the	the	DET
eurjchem-2602	130	17	acceptor	acceptor	NOUN
eurjchem-2602	130	18	oxygen	oxygen	NOUN
eurjchem-2602	130	19	of	of	ADP
eurjchem-2602	130	20	the	the	DET
eurjchem-2602	130	21	water	water	NOUN
eurjchem-2602	130	22	molecule	molecule	NOUN
eurjchem-2602	130	23	(	(	PUNCT
eurjchem-2602	130	24	ow1	ow1	NOUN
eurjchem-2602	130	25	)	)	PUNCT
eurjchem-2602	130	26	result	result	VERB
eurjchem-2602	130	27	in	in	ADP
eurjchem-2602	130	28	the	the	DET
eurjchem-2602	130	29	formation	formation	NOUN
eurjchem-2602	130	30	of	of	ADP
eurjchem-2602	130	31	a	a	DET
eurjchem-2602	130	32	pseudo	pseudo	NOUN
eurjchem-2602	130	33	ring	ring	NOUN
eurjchem-2602	130	34	characterized	characterize	VERB
eurjchem-2602	130	35	by	by	ADP
eurjchem-2602	130	36	r12(7	r12(7	NOUN
eurjchem-2602	130	37	)	)	PUNCT
eurjchem-2602	130	38	graph	graph	NOUN
eurjchem-2602	130	39	set	set	VERB
eurjchem-2602	130	40	motifs	motif	NOUN
eurjchem-2602	130	41	.	.	PUNCT
eurjchem-2602	131	1	furthermore	furthermore	ADV
eurjchem-2602	131	2	,	,	PUNCT
eurjchem-2602	131	3	a	a	DET
eurjchem-2602	131	4	weak	weak	ADJ
eurjchem-2602	131	5	but	but	CCONJ
eurjchem-2602	131	6	significant	significant	ADJ
eurjchem-2602	131	7	ππ	ππ	ADP
eurjchem-2602	131	8	stacking	stack	VERB
eurjchem-2602	131	9	interaction	interaction	NOUN
eurjchem-2602	131	10	is	be	AUX
eurjchem-2602	131	11	observed	observe	VERB
eurjchem-2602	131	12	between	between	ADP
eurjchem-2602	131	13	the	the	DET
eurjchem-2602	131	14	centroid	centroid	NOUN
eurjchem-2602	131	15	of	of	ADP
eurjchem-2602	131	16	the	the	DET
eurjchem-2602	131	17	five	five	NUM
eurjchem-2602	131	18	-	-	PUNCT
eurjchem-2602	131	19	membered	membere	VERB
eurjchem-2602	131	20	imidazole	imidazole	NOUN
eurjchem-2602	131	21	ring	ring	NOUN
eurjchem-2602	131	22	(	(	PUNCT
eurjchem-2602	131	23	x	x	NOUN
eurjchem-2602	131	24	,	,	PUNCT
eurjchem-2602	131	25	y	y	PROPN
eurjchem-2602	131	26	,	,	PUNCT
eurjchem-2602	131	27	z	z	NOUN
eurjchem-2602	131	28	)	)	PUNCT
eurjchem-2602	131	29	and	and	CCONJ
eurjchem-2602	131	30	the	the	DET
eurjchem-2602	131	31	six	six	NUM
eurjchem-2602	131	32	-	-	PUNCT
eurjchem-2602	131	33	membered	membere	VERB
eurjchem-2602	131	34	phenyl	phenyl	NOUN
eurjchem-2602	131	35	ring	ring	NOUN
eurjchem-2602	131	36	at	at	ADP
eurjchem-2602	131	37	coordinates	coordinate	NOUN
eurjchem-2602	131	38	(	(	PUNCT
eurjchem-2602	131	39	1	1	NUM
eurjchem-2602	131	40	-	-	SYM
eurjchem-2602	131	41	x	x	NOUN
eurjchem-2602	131	42	,	,	PUNCT
eurjchem-2602	131	43	-1	-1	ADJ
eurjchem-2602	131	44	-	-	SYM
eurjchem-2602	131	45	y	y	ADJ
eurjchem-2602	131	46	,	,	PUNCT
eurjchem-2602	131	47	1	1	NUM
eurjchem-2602	131	48	-	-	SYM
eurjchem-2602	131	49	z	z	NOUN
eurjchem-2602	131	50	)	)	PUNCT
eurjchem-2602	131	51	,	,	PUNCT
eurjchem-2602	131	52	with	with	ADP
eurjchem-2602	131	53	a	a	DET
eurjchem-2602	131	54	centroid	centroid	NOUN
eurjchem-2602	131	55	-	-	PUNCT
eurjchem-2602	131	56	tocentroid	tocentroid	NOUN
eurjchem-2602	131	57	distance	distance	NOUN
eurjchem-2602	131	58	of	of	ADP
eurjchem-2602	131	59	3.642(2	3.642(2	NUM
eurjchem-2602	131	60	)	)	PUNCT
eurjchem-2602	132	1	å	å	NOUN
eurjchem-2602	132	2	,	,	PUNCT
eurjchem-2602	132	3	which	which	PRON
eurjchem-2602	132	4	further	far	ADV
eurjchem-2602	132	5	contributes	contribute	VERB
eurjchem-2602	132	6	to	to	ADP
eurjchem-2602	132	7	the	the	DET
eurjchem-2602	132	8	molecular	molecular	ADJ
eurjchem-2602	132	9	packing	packing	NOUN
eurjchem-2602	132	10	,	,	PUNCT
eurjchem-2602	132	11	as	as	SCONJ
eurjchem-2602	132	12	depicted	depict	VERB
eurjchem-2602	132	13	in	in	ADP
eurjchem-2602	132	14	figure	figure	NOUN
eurjchem-2602	132	15	3	3	NUM
eurjchem-2602	132	16	.	.	NOUN
eurjchem-2602	132	17	3.2	3.2	NUM
eurjchem-2602	132	18	.	.	PUNCT
eurjchem-2602	133	1	hirshfeld	hirshfeld	PROPN
eurjchem-2602	133	2	surface	surface	PROPN
eurjchem-2602	133	3	analysis	analysis	NOUN
eurjchem-2602	133	4	the	the	DET
eurjchem-2602	133	5	strength	strength	NOUN
eurjchem-2602	133	6	and	and	CCONJ
eurjchem-2602	133	7	function	function	NOUN
eurjchem-2602	133	8	of	of	ADP
eurjchem-2602	133	9	hydrogen	hydrogen	NOUN
eurjchem-2602	133	10	bonds	bond	NOUN
eurjchem-2602	133	11	and	and	CCONJ
eurjchem-2602	133	12	other	other	ADJ
eurjchem-2602	133	13	intramolecular	intramolecular	ADJ
eurjchem-2602	133	14	and	and	CCONJ
eurjchem-2602	133	15	intermolecular	intermolecular	ADJ
eurjchem-2602	133	16	interactions	interaction	NOUN
eurjchem-2602	133	17	have	have	AUX
eurjchem-2602	133	18	been	be	AUX
eurjchem-2602	133	19	calculated	calculate	VERB
eurjchem-2602	133	20	using	use	VERB
eurjchem-2602	133	21	hirshfeld	hirshfeld	PROPN
eurjchem-2602	133	22	surface	surface	NOUN
eurjchem-2602	133	23	analysis	analysis	NOUN
eurjchem-2602	133	24	,	,	PUNCT
eurjchem-2602	133	25	and	and	CCONJ
eurjchem-2602	133	26	their	their	PRON
eurjchem-2602	133	27	significance	significance	NOUN
eurjchem-2602	133	28	for	for	ADP
eurjchem-2602	133	29	the	the	DET
eurjchem-2602	133	30	stability	stability	NOUN
eurjchem-2602	133	31	of	of	ADP
eurjchem-2602	133	32	the	the	DET
eurjchem-2602	133	33	crystal	crystal	NOUN
eurjchem-2602	133	34	lattice	lattice	PROPN
eurjchem-2602	133	35	has	have	AUX
eurjchem-2602	133	36	been	be	AUX
eurjchem-2602	133	37	estimated	estimate	VERB
eurjchem-2602	133	38	.	.	PUNCT
eurjchem-2602	134	1	figure	figure	NOUN
eurjchem-2602	134	2	4a	4a	NUM
eurjchem-2602	134	3	-	-	PUNCT
eurjchem-2602	134	4	c	c	NOUN
eurjchem-2602	134	5	illustrate	illustrate	VERB
eurjchem-2602	134	6	the	the	DET
eurjchem-2602	134	7	hirshfeld	hirshfeld	PROPN
eurjchem-2602	134	8	surface	surface	NOUN
eurjchem-2602	134	9	of	of	ADP
eurjchem-2602	134	10	the	the	DET
eurjchem-2602	134	11	dbziw	dbziw	ADJ
eurjchem-2602	134	12	molecule	molecule	NOUN
eurjchem-2602	134	13	,	,	PUNCT
eurjchem-2602	134	14	showing	show	VERB
eurjchem-2602	134	15	that	that	SCONJ
eurjchem-2602	134	16	the	the	DET
eurjchem-2602	134	17	surfaces	surface	NOUN
eurjchem-2602	134	18	have	have	AUX
eurjchem-2602	134	19	been	be	AUX
eurjchem-2602	134	20	mapped	map	VERB
eurjchem-2602	134	21	over	over	ADP
eurjchem-2602	134	22	a	a	DET
eurjchem-2602	134	23	dnorm	dnorm	NOUN
eurjchem-2602	134	24	(	(	PUNCT
eurjchem-2602	134	25	range	range	NOUN
eurjchem-2602	134	26	0.03	0.03	NUM
eurjchem-2602	134	27	to	to	ADP
eurjchem-2602	134	28	0.95	0.95	NUM
eurjchem-2602	134	29	)	)	PUNCT
eurjchem-2602	134	30	,	,	PUNCT
eurjchem-2602	134	31	di	di	X
eurjchem-2602	134	32	(	(	PUNCT
eurjchem-2602	134	33	range	range	NOUN
eurjchem-2602	134	34	1.06	1.06	NUM
eurjchem-2602	134	35	-	-	SYM
eurjchem-2602	134	36	2.59	2.59	NUM
eurjchem-2602	134	37	)	)	PUNCT
eurjchem-2602	134	38	and	and	CCONJ
eurjchem-2602	134	39	de	de	X
eurjchem-2602	134	40	(	(	PUNCT
eurjchem-2602	134	41	range	range	NOUN
eurjchem-2602	134	42	1.06	1.06	NUM
eurjchem-2602	134	43	-	-	SYM
eurjchem-2602	134	44	2.61	2.61	NUM
eurjchem-2602	134	45	)	)	PUNCT
eurjchem-2602	134	46	.	.	PUNCT
eurjchem-2602	135	1	red	red	PROPN
eurjchem-2602	135	2	indicates	indicate	VERB
eurjchem-2602	135	3	shorter	short	ADJ
eurjchem-2602	135	4	contacts	contact	NOUN
eurjchem-2602	135	5	,	,	PUNCT
eurjchem-2602	135	6	white	white	ADJ
eurjchem-2602	135	7	indicates	indicate	VERB
eurjchem-2602	135	8	the	the	DET
eurjchem-2602	135	9	contact	contact	NOUN
eurjchem-2602	135	10	surrounding	surround	VERB
eurjchem-2602	135	11	the	the	DET
eurjchem-2602	135	12	vdw	vdw	NOUN
eurjchem-2602	135	13	(	(	PUNCT
eurjchem-2602	135	14	van	van	NOUN
eurjchem-2602	135	15	deer	deer	NOUN
eurjchem-2602	135	16	waals	waal	NOUN
eurjchem-2602	135	17	)	)	PUNCT
eurjchem-2602	135	18	separation	separation	NOUN
eurjchem-2602	135	19	,	,	PUNCT
eurjchem-2602	135	20	and	and	CCONJ
eurjchem-2602	135	21	blue	blue	NOUN
eurjchem-2602	135	22	indicates	indicate	VERB
eurjchem-2602	135	23	longer	long	ADJ
eurjchem-2602	135	24	contacts	contact	NOUN
eurjchem-2602	135	25	on	on	ADP
eurjchem-2602	135	26	hirshfeld	hirshfeld	PROPN
eurjchem-2602	135	27	gandhi	gandhi	PROPN
eurjchem-2602	135	28	et	et	PROPN
eurjchem-2602	135	29	al	al	PROPN
eurjchem-2602	135	30	.	.	PUNCT
eurjchem-2602	135	31	/	/	SYM
eurjchem-2602	135	32	european	european	PROPN
eurjchem-2602	135	33	journal	journal	PROPN
eurjchem-2602	135	34	of	of	ADP
eurjchem-2602	135	35	chemistry	chemistry	NOUN
eurjchem-2602	135	36	16	16	NUM
eurjchem-2602	135	37	(	(	PUNCT
eurjchem-2602	135	38	1	1	NUM
eurjchem-2602	135	39	)	)	PUNCT
eurjchem-2602	135	40	(	(	PUNCT
eurjchem-2602	135	41	2025	2025	NUM
eurjchem-2602	135	42	)	)	PUNCT
eurjchem-2602	135	43	7	7	NUM
eurjchem-2602	135	44	-	-	SYM
eurjchem-2602	135	45	19	19	NUM
eurjchem-2602	135	46	11	11	NUM
eurjchem-2602	135	47	2025	2025	NUM
eurjchem-2602	135	48	–	–	PUNCT
eurjchem-2602	135	49	european	european	ADJ
eurjchem-2602	135	50	journal	journal	NOUN
eurjchem-2602	135	51	of	of	ADP
eurjchem-2602	135	52	chemistry	chemistry	NOUN
eurjchem-2602	135	53	–	–	PUNCT
eurjchem-2602	135	54	cc	cc	NOUN
eurjchem-2602	135	55	by	by	ADP
eurjchem-2602	135	56	nc	nc	PROPN
eurjchem-2602	135	57	–	–	PUNCT
eurjchem-2602	135	58	doi	doi	PROPN
eurjchem-2602	135	59	:	:	PUNCT
eurjchem-2602	135	60	10.5155	10.5155	NUM
eurjchem-2602	135	61	/	/	SYM
eurjchem-2602	135	62	eurjchem.16.1.7	eurjchem.16.1.7	PROPN
eurjchem-2602	135	63	-	-	PUNCT
eurjchem-2602	135	64	19.2602	19.2602	NUM
eurjchem-2602	135	65	(	(	PUNCT
eurjchem-2602	135	66	a	a	NOUN
eurjchem-2602	135	67	)	)	PUNCT
eurjchem-2602	135	68	(	(	PUNCT
eurjchem-2602	135	69	b	b	X
eurjchem-2602	135	70	)	)	PUNCT
eurjchem-2602	135	71	figure	figure	NOUN
eurjchem-2602	135	72	2	2	NUM
eurjchem-2602	135	73	.	.	PUNCT
eurjchem-2602	136	1	the	the	DET
eurjchem-2602	136	2	molecular	molecular	ADJ
eurjchem-2602	136	3	packing	packing	NOUN
eurjchem-2602	136	4	by	by	ADP
eurjchem-2602	136	5	forming	form	VERB
eurjchem-2602	136	6	o	o	ADJ
eurjchem-2602	136	7	-	-	ADJ
eurjchem-2602	136	8	h···i	h···i	ADJ
eurjchem-2602	136	9	dimer	dimer	NOUN
eurjchem-2602	136	10	with	with	ADP
eurjchem-2602	136	11	water	water	NOUN
eurjchem-2602	136	12	oxygen	oxygen	NOUN
eurjchem-2602	136	13	as	as	ADP
eurjchem-2602	136	14	the	the	DET
eurjchem-2602	136	15	donor	donor	NOUN
eurjchem-2602	136	16	water	water	NOUN
eurjchem-2602	136	17	molecule	molecule	NOUN
eurjchem-2602	136	18	and	and	CCONJ
eurjchem-2602	136	19	iodine	iodine	NOUN
eurjchem-2602	136	20	stacks	stack	NOUN
eurjchem-2602	136	21	in	in	ADP
eurjchem-2602	136	22	a	a	DET
eurjchem-2602	136	23	fashion	fashion	NOUN
eurjchem-2602	136	24	to	to	PART
eurjchem-2602	136	25	form	form	VERB
eurjchem-2602	136	26	the	the	DET
eurjchem-2602	136	27	channel	channel	NOUN
eurjchem-2602	136	28	hold	hold	NOUN
eurjchem-2602	136	29	by	by	ADP
eurjchem-2602	136	30	o	o	ADJ
eurjchem-2602	136	31	-	-	ADJ
eurjchem-2602	136	32	h···i	h···i	ADJ
eurjchem-2602	136	33	hydrogen	hydrogen	NOUN
eurjchem-2602	136	34	bond	bond	NOUN
eurjchem-2602	136	35	interactions	interaction	NOUN
eurjchem-2602	136	36	shown	show	VERB
eurjchem-2602	136	37	(	(	PUNCT
eurjchem-2602	136	38	a	a	NOUN
eurjchem-2602	136	39	)	)	PUNCT
eurjchem-2602	136	40	by	by	ADP
eurjchem-2602	136	41	balland	balland	PROPN
eurjchem-2602	136	42	stick	stick	PROPN
eurjchem-2602	136	43	-	-	PUNCT
eurjchem-2602	136	44	diagram	diagram	PROPN
eurjchem-2602	136	45	and	and	CCONJ
eurjchem-2602	136	46	(	(	PUNCT
eurjchem-2602	136	47	b	b	NOUN
eurjchem-2602	136	48	)	)	PUNCT
eurjchem-2602	136	49	by	by	ADP
eurjchem-2602	136	50	space	space	NOUN
eurjchem-2602	136	51	-	-	PUNCT
eurjchem-2602	136	52	fill	fill	NOUN
eurjchem-2602	136	53	diagram	diagram	NOUN
eurjchem-2602	136	54	.	.	PUNCT
eurjchem-2602	137	1	(	(	PUNCT
eurjchem-2602	137	2	a	a	X
eurjchem-2602	137	3	)	)	PUNCT
eurjchem-2602	137	4	(	(	PUNCT
eurjchem-2602	137	5	b	b	X
eurjchem-2602	137	6	)	)	PUNCT
eurjchem-2602	137	7	figure	figure	NOUN
eurjchem-2602	137	8	3	3	NUM
eurjchem-2602	137	9	.	.	PUNCT
eurjchem-2602	138	1	the	the	DET
eurjchem-2602	138	2	weak	weak	ADJ
eurjchem-2602	138	3	π	π	PROPN
eurjchem-2602	138	4	–	–	PUNCT
eurjchem-2602	138	5	π	π	PROPN
eurjchem-2602	138	6	stacked	stack	VERB
eurjchem-2602	138	7	interaction	interaction	NOUN
eurjchem-2602	138	8	involving	involve	VERB
eurjchem-2602	138	9	the	the	DET
eurjchem-2602	138	10	centroid	centroid	NOUN
eurjchem-2602	138	11	of	of	ADP
eurjchem-2602	138	12	the	the	DET
eurjchem-2602	138	13	five	five	NUM
eurjchem-2602	138	14	-	-	PUNCT
eurjchem-2602	138	15	membered	membere	VERB
eurjchem-2602	138	16	imidazole	imidazole	NOUN
eurjchem-2602	138	17	ring	ring	NOUN
eurjchem-2602	138	18	with	with	ADP
eurjchem-2602	138	19	the	the	DET
eurjchem-2602	138	20	six	six	NUM
eurjchem-2602	138	21	-	-	PUNCT
eurjchem-2602	138	22	membered	membere	VERB
eurjchem-2602	138	23	phenyl	phenyl	NOUN
eurjchem-2602	138	24	ring	ring	NOUN
eurjchem-2602	138	25	with	with	ADP
eurjchem-2602	138	26	a	a	DET
eurjchem-2602	138	27	cg	cg	NOUN
eurjchem-2602	138	28	-	-	PUNCT
eurjchem-2602	138	29	cg	cg	NOUN
eurjchem-2602	138	30	separation	separation	NOUN
eurjchem-2602	138	31	distance	distance	NOUN
eurjchem-2602	138	32	of	of	ADP
eurjchem-2602	138	33	3.642(2	3.642(2	NUM
eurjchem-2602	138	34	)	)	PUNCT
eurjchem-2602	138	35	å	å	NOUN
eurjchem-2602	138	36	showing	showing	NOUN
eurjchem-2602	138	37	(	(	PUNCT
eurjchem-2602	138	38	a	a	X
eurjchem-2602	138	39	)	)	PUNCT
eurjchem-2602	138	40	the	the	DET
eurjchem-2602	138	41	ball	ball	NOUN
eurjchem-2602	138	42	and	and	CCONJ
eurjchem-2602	138	43	stick	stick	PROPN
eurjchem-2602	138	44	diagram	diagram	NOUN
eurjchem-2602	138	45	and	and	CCONJ
eurjchem-2602	138	46	(	(	PUNCT
eurjchem-2602	138	47	b	b	X
eurjchem-2602	138	48	)	)	PUNCT
eurjchem-2602	138	49	the	the	DET
eurjchem-2602	138	50	space	space	NOUN
eurjchem-2602	138	51	fill	fill	NOUN
eurjchem-2602	138	52	diagram	diagram	NOUN
eurjchem-2602	138	53	.	.	PUNCT
eurjchem-2602	139	1	(	(	PUNCT
eurjchem-2602	139	2	a	a	X
eurjchem-2602	139	3	)	)	PUNCT
eurjchem-2602	139	4	(	(	PUNCT
eurjchem-2602	139	5	b	b	X
eurjchem-2602	139	6	)	)	PUNCT
eurjchem-2602	139	7	(	(	PUNCT
eurjchem-2602	139	8	c	c	X
eurjchem-2602	139	9	)	)	PUNCT
eurjchem-2602	139	10	(	(	PUNCT
eurjchem-2602	139	11	d	d	X
eurjchem-2602	139	12	)	)	PUNCT
eurjchem-2602	139	13	figure	figure	NOUN
eurjchem-2602	139	14	4	4	NUM
eurjchem-2602	139	15	.	.	PUNCT
eurjchem-2602	140	1	the	the	DET
eurjchem-2602	140	2	hirshfeld	hirshfeld	PROPN
eurjchem-2602	140	3	surface	surface	NOUN
eurjchem-2602	140	4	of	of	ADP
eurjchem-2602	140	5	the	the	DET
eurjchem-2602	140	6	compound	compound	NOUN
eurjchem-2602	140	7	mapped	map	VERB
eurjchem-2602	140	8	with	with	ADP
eurjchem-2602	140	9	(	(	PUNCT
eurjchem-2602	140	10	a	a	PRON
eurjchem-2602	140	11	)	)	PUNCT
eurjchem-2602	140	12	dnorm	dnorm	NOUN
eurjchem-2602	140	13	,	,	PUNCT
eurjchem-2602	140	14	(	(	PUNCT
eurjchem-2602	140	15	b	b	X
eurjchem-2602	140	16	)	)	PUNCT
eurjchem-2602	140	17	di	di	NOUN
eurjchem-2602	140	18	,	,	PUNCT
eurjchem-2602	140	19	and	and	CCONJ
eurjchem-2602	140	20	(	(	PUNCT
eurjchem-2602	140	21	c	c	NOUN
eurjchem-2602	140	22	)	)	PUNCT
eurjchem-2602	140	23	de	de	X
eurjchem-2602	140	24	(	(	PUNCT
eurjchem-2602	140	25	d	d	NOUN
eurjchem-2602	140	26	)	)	PUNCT
eurjchem-2602	140	27	dnorm	dnorm	NOUN
eurjchem-2602	140	28	surface	surface	NOUN
eurjchem-2602	140	29	depicts	depict	VERB
eurjchem-2602	140	30	the	the	DET
eurjchem-2602	140	31	close	close	ADJ
eurjchem-2602	140	32	contacts	contact	NOUN
eurjchem-2602	140	33	of	of	ADP
eurjchem-2602	140	34	hydrogen	hydrogen	NOUN
eurjchem-2602	140	35	bonds	bond	NOUN
eurjchem-2602	140	36	,	,	PUNCT
eurjchem-2602	140	37	indicating	indicate	VERB
eurjchem-2602	140	38	that	that	SCONJ
eurjchem-2602	140	39	intensive	intensive	ADJ
eurjchem-2602	140	40	red	red	ADJ
eurjchem-2602	140	41	spots	spot	NOUN
eurjchem-2602	140	42	correspond	correspond	VERB
eurjchem-2602	140	43	to	to	PART
eurjchem-2602	140	44	intraand	intraand	VERB
eurjchem-2602	140	45	intermolecular	intermolecular	ADJ
eurjchem-2602	140	46	c	c	NOUN
eurjchem-2602	140	47	-	-	PUNCT
eurjchem-2602	140	48	h···o	h···o	PROPN
eurjchem-2602	140	49	and	and	CCONJ
eurjchem-2602	140	50	c	c	NOUN
eurjchem-2602	140	51	-	-	PUNCT
eurjchem-2602	140	52	h···i	h···i	NOUN
eurjchem-2602	140	53	hydrogen	hydrogen	NOUN
eurjchem-2602	140	54	bonds	bond	NOUN
eurjchem-2602	140	55	.	.	PUNCT
eurjchem-2602	141	1	12	12	NUM
eurjchem-2602	141	2	gandhi	gandhi	PROPN
eurjchem-2602	141	3	et	et	PROPN
eurjchem-2602	141	4	al	al	PROPN
eurjchem-2602	141	5	.	.	PUNCT
eurjchem-2602	141	6	/	/	SYM
eurjchem-2602	141	7	european	european	PROPN
eurjchem-2602	141	8	journal	journal	PROPN
eurjchem-2602	141	9	of	of	ADP
eurjchem-2602	141	10	chemistry	chemistry	NOUN
eurjchem-2602	141	11	16	16	NUM
eurjchem-2602	141	12	(	(	PUNCT
eurjchem-2602	141	13	1	1	NUM
eurjchem-2602	141	14	)	)	PUNCT
eurjchem-2602	141	15	(	(	PUNCT
eurjchem-2602	141	16	2025	2025	NUM
eurjchem-2602	141	17	)	)	PUNCT
eurjchem-2602	141	18	7	7	NUM
eurjchem-2602	141	19	-	-	SYM
eurjchem-2602	141	20	19	19	NUM
eurjchem-2602	141	21	2025	2025	NUM
eurjchem-2602	141	22	–	–	PUNCT
eurjchem-2602	141	23	european	european	ADJ
eurjchem-2602	141	24	journal	journal	NOUN
eurjchem-2602	141	25	of	of	ADP
eurjchem-2602	141	26	chemistry	chemistry	NOUN
eurjchem-2602	141	27	–	–	PUNCT
eurjchem-2602	141	28	cc	cc	NOUN
eurjchem-2602	141	29	by	by	ADP
eurjchem-2602	141	30	nc	nc	PROPN
eurjchem-2602	141	31	–	–	PUNCT
eurjchem-2602	141	32	doi	doi	PROPN
eurjchem-2602	141	33	:	:	PUNCT
eurjchem-2602	141	34	10.5155	10.5155	NUM
eurjchem-2602	141	35	/	/	SYM
eurjchem-2602	141	36	eurjchem.16.1.7	eurjchem.16.1.7	PROPN
eurjchem-2602	141	37	-	-	PUNCT
eurjchem-2602	141	38	19.2602	19.2602	NUM
eurjchem-2602	141	39	table	table	NOUN
eurjchem-2602	141	40	5	5	NUM
eurjchem-2602	141	41	.	.	PUNCT
eurjchem-2602	141	42	molecular	molecular	ADJ
eurjchem-2602	141	43	pairs	pair	NOUN
eurjchem-2602	141	44	and	and	CCONJ
eurjchem-2602	141	45	the	the	DET
eurjchem-2602	141	46	interaction	interaction	NOUN
eurjchem-2602	141	47	energies	energy	NOUN
eurjchem-2602	141	48	(	(	PUNCT
eurjchem-2602	141	49	kj	kj	NOUN
eurjchem-2602	141	50	/	/	SYM
eurjchem-2602	141	51	mole	mole	NOUN
eurjchem-2602	141	52	)	)	PUNCT
eurjchem-2602	141	53	obtained	obtain	VERB
eurjchem-2602	141	54	from	from	ADP
eurjchem-2602	141	55	the	the	DET
eurjchem-2602	141	56	energy	energy	NOUN
eurjchem-2602	141	57	framework	framework	NOUN
eurjchem-2602	141	58	calculation	calculation	NOUN
eurjchem-2602	141	59	for	for	ADP
eurjchem-2602	141	60	the	the	DET
eurjchem-2602	141	61	title	title	NOUN
eurjchem-2602	141	62	molecule	molecule	NOUN
eurjchem-2602	141	63	.	.	PUNCT
eurjchem-2602	142	1	the	the	DET
eurjchem-2602	142	2	total	total	ADJ
eurjchem-2602	142	3	energies	energy	NOUN
eurjchem-2602	142	4	,	,	PUNCT
eurjchem-2602	142	5	reported	report	VERB
eurjchem-2602	142	6	for	for	ADP
eurjchem-2602	142	7	the	the	DET
eurjchem-2602	142	8	benchmarked	benchmarke	VERB
eurjchem-2602	142	9	energy	energy	NOUN
eurjchem-2602	142	10	model	model	NOUN
eurjchem-2602	142	11	,	,	PUNCT
eurjchem-2602	142	12	are	be	AUX
eurjchem-2602	142	13	the	the	DET
eurjchem-2602	142	14	sum	sum	NOUN
eurjchem-2602	142	15	of	of	ADP
eurjchem-2602	142	16	the	the	DET
eurjchem-2602	142	17	four	four	NUM
eurjchem-2602	142	18	energy	energy	NOUN
eurjchem-2602	142	19	components	component	NOUN
eurjchem-2602	142	20	.	.	PUNCT
eurjchem-2602	143	1	n	n	PRON
eurjchem-2602	143	2	is	be	AUX
eurjchem-2602	143	3	the	the	DET
eurjchem-2602	143	4	number	number	NOUN
eurjchem-2602	143	5	of	of	ADP
eurjchem-2602	143	6	equivalent	equivalent	ADJ
eurjchem-2602	143	7	neighbours	neighbour	NOUN
eurjchem-2602	143	8	;	;	PUNCT
eurjchem-2602	143	9	r	r	NOUN
eurjchem-2602	143	10	is	be	AUX
eurjchem-2602	143	11	the	the	DET
eurjchem-2602	143	12	distance	distance	NOUN
eurjchem-2602	143	13	between	between	ADP
eurjchem-2602	143	14	the	the	DET
eurjchem-2602	143	15	molecular	molecular	ADJ
eurjchem-2602	143	16	centroids	centroid	NOUN
eurjchem-2602	143	17	(	(	PUNCT
eurjchem-2602	143	18	mean	mean	ADJ
eurjchem-2602	143	19	atomic	atomic	ADJ
eurjchem-2602	143	20	position	position	NOUN
eurjchem-2602	143	21	)	)	PUNCT
eurjchem-2602	143	22	in	in	ADP
eurjchem-2602	143	23	å	å	PROPN
eurjchem-2602	143	24	.	.	PUNCT
eurjchem-2602	144	1	no	no	PRON
eurjchem-2602	144	2	n	n	ADV
eurjchem-2602	144	3	symop	symop	NOUN
eurjchem-2602	144	4	r	r	NOUN
eurjchem-2602	144	5	electron	electron	NOUN
eurjchem-2602	144	6	density	density	NOUN
eurjchem-2602	144	7	eele	eele	PROPN
eurjchem-2602	144	8	epol	epol	PROPN
eurjchem-2602	144	9	edis	edis	PROPN
eurjchem-2602	144	10	erep	erep	PROPN
eurjchem-2602	144	11	etot	etot	VERB
eurjchem-2602	144	12	1	1	NUM
eurjchem-2602	144	13	1	1	NUM
eurjchem-2602	144	14	-x	-x	NUM
eurjchem-2602	144	15	,	,	PUNCT
eurjchem-2602	144	16	-y	-y	PROPN
eurjchem-2602	144	17	,	,	PUNCT
eurjchem-2602	144	18	-z	-z	PROPN
eurjchem-2602	144	19	8.94	8.94	NUM
eurjchem-2602	144	20	b3lyp/6	b3lyp/6	PROPN
eurjchem-2602	144	21	-	-	NOUN
eurjchem-2602	144	22	31g(d	31g(d	PROPN
eurjchem-2602	144	23	,	,	PUNCT
eurjchem-2602	144	24	p	p	NOUN
eurjchem-2602	144	25	)	)	PUNCT
eurjchem-2602	144	26	-0.6	-0.6	NOUN
eurjchem-2602	144	27	-0.4	-0.4	PUNCT
eurjchem-2602	144	28	-6.4	-6.4	PROPN
eurjchem-2602	144	29	6.6	6.6	NUM
eurjchem-2602	144	30	-2.5	-2.5	NUM
eurjchem-2602	144	31	2	2	NUM
eurjchem-2602	144	32	0	0	NUM
eurjchem-2602	144	33	-x	-x	X
eurjchem-2602	144	34	,	,	PUNCT
eurjchem-2602	144	35	-y	-y	PROPN
eurjchem-2602	144	36	,	,	PUNCT
eurjchem-2602	144	37	-z	-z	PROPN
eurjchem-2602	144	38	8.93	8.93	NUM
eurjchem-2602	144	39	b3lyp/6	b3lyp/6	NOUN
eurjchem-2602	144	40	-	-	NOUN
eurjchem-2602	144	41	31g(d	31g(d	PROPN
eurjchem-2602	144	42	,	,	PUNCT
eurjchem-2602	144	43	p	p	NOUN
eurjchem-2602	144	44	)	)	PUNCT
eurjchem-2602	144	45	-0.4	-0.4	PROPN
eurjchem-2602	145	1	-0.2	-0.2	PROPN
eurjchem-2602	145	2	-2.6	-2.6	PROPN
eurjchem-2602	145	3	0.6	0.6	NUM
eurjchem-2602	145	4	-2.5	-2.5	PROPN
eurjchem-2602	145	5	3	3	NUM
eurjchem-2602	145	6	1	1	NUM
eurjchem-2602	145	7	x	x	NOUN
eurjchem-2602	145	8	,	,	PUNCT
eurjchem-2602	145	9	y	y	PROPN
eurjchem-2602	145	10	,	,	PUNCT
eurjchem-2602	145	11	z	z	PROPN
eurjchem-2602	145	12	8.93	8.93	NUM
eurjchem-2602	145	13	b3lyp/6	b3lyp/6	NOUN
eurjchem-2602	145	14	-	-	NOUN
eurjchem-2602	145	15	31g(d	31g(d	PROPN
eurjchem-2602	145	16	,	,	PUNCT
eurjchem-2602	145	17	p	p	NOUN
eurjchem-2602	145	18	)	)	PUNCT
eurjchem-2602	145	19	-0.5	-0.5	PROPN
eurjchem-2602	145	20	-0.2	-0.2	PROPN
eurjchem-2602	145	21	-5.3	-5.3	PROPN
eurjchem-2602	145	22	1.6	1.6	NUM
eurjchem-2602	145	23	-4.3	-4.3	NOUN
eurjchem-2602	145	24	4	4	NUM
eurjchem-2602	145	25	1	1	NUM
eurjchem-2602	145	26	-x	-x	NOUN
eurjchem-2602	145	27	,	,	PUNCT
eurjchem-2602	145	28	-y	-y	PROPN
eurjchem-2602	145	29	,	,	PUNCT
eurjchem-2602	145	30	-z	-z	PROPN
eurjchem-2602	145	31	3.81	3.81	NUM
eurjchem-2602	145	32	b3lyp/6	b3lyp/6	PROPN
eurjchem-2602	145	33	-	-	NOUN
eurjchem-2602	145	34	31g(d	31g(d	PROPN
eurjchem-2602	145	35	,	,	PUNCT
eurjchem-2602	145	36	p	p	NOUN
eurjchem-2602	145	37	)	)	PUNCT
eurjchem-2602	145	38	3.1	3.1	NUM
eurjchem-2602	145	39	-5.9	-5.9	NOUN
eurjchem-2602	145	40	-46.5	-46.5	ADP
eurjchem-2602	145	41	20.7	20.7	NUM
eurjchem-2602	145	42	-28.8	-28.8	NOUN
eurjchem-2602	145	43	5	5	NUM
eurjchem-2602	145	44	0	0	NUM
eurjchem-2602	145	45	-x	-x	PROPN
eurjchem-2602	145	46	,	,	PUNCT
eurjchem-2602	145	47	y+1/2	y+1/2	PROPN
eurjchem-2602	145	48	,	,	PUNCT
eurjchem-2602	145	49	-z+1/2	-z+1/2	PROPN
eurjchem-2602	145	50	8.85	8.85	NUM
eurjchem-2602	145	51	b3lyp/6	b3lyp/6	NOUN
eurjchem-2602	145	52	-	-	NOUN
eurjchem-2602	145	53	31g(d	31g(d	PROPN
eurjchem-2602	145	54	,	,	PUNCT
eurjchem-2602	145	55	p	p	NOUN
eurjchem-2602	145	56	)	)	PUNCT
eurjchem-2602	145	57	-0.4	-0.4	NOUN
eurjchem-2602	145	58	-0.3	-0.3	PROPN
eurjchem-2602	145	59	-4.3	-4.3	PROPN
eurjchem-2602	145	60	2.7	2.7	NUM
eurjchem-2602	145	61	-2.7	-2.7	NOUN
eurjchem-2602	145	62	6	6	NUM
eurjchem-2602	145	63	0	0	NUM
eurjchem-2602	145	64	-x	-x	PROPN
eurjchem-2602	145	65	,	,	PUNCT
eurjchem-2602	145	66	-y	-y	PROPN
eurjchem-2602	145	67	,	,	PUNCT
eurjchem-2602	145	68	-z	-z	PROPN
eurjchem-2602	145	69	3.79	3.79	NUM
eurjchem-2602	145	70	b3lyp/6	b3lyp/6	NOUN
eurjchem-2602	145	71	-	-	NOUN
eurjchem-2602	145	72	31g(d	31g(d	PROPN
eurjchem-2602	145	73	,	,	PUNCT
eurjchem-2602	145	74	p	p	X
eurjchem-2602	145	75	)	)	PUNCT
eurjchem-2602	145	76	3.1	3.1	NUM
eurjchem-2602	145	77	-5.8	-5.8	PRON
eurjchem-2602	145	78	-46.0	-46.0	NUM
eurjchem-2602	145	79	20.2	20.2	NUM
eurjchem-2602	146	1	-28.6	-28.6	NUM
eurjchem-2602	146	2	7	7	NUM
eurjchem-2602	146	3	0	0	NUM
eurjchem-2602	146	4	-x	-x	PROPN
eurjchem-2602	146	5	,	,	PUNCT
eurjchem-2602	146	6	-y+1/2	-y+1/2	PROPN
eurjchem-2602	146	7	,	,	PUNCT
eurjchem-2602	146	8	z+1/2	z+1/2	PROPN
eurjchem-2602	146	9	8.82	8.82	NUM
eurjchem-2602	146	10	b3lyp/6	b3lyp/6	NOUN
eurjchem-2602	146	11	-	-	NOUN
eurjchem-2602	146	12	31g(d	31g(d	PROPN
eurjchem-2602	146	13	,	,	PUNCT
eurjchem-2602	146	14	p	p	NOUN
eurjchem-2602	146	15	)	)	PUNCT
eurjchem-2602	146	16	-0.6	-0.6	NOUN
eurjchem-2602	146	17	-0.3	-0.3	X
eurjchem-2602	146	18	-6.3	-6.3	NOUN
eurjchem-2602	146	19	2.3	2.3	NUM
eurjchem-2602	146	20	-4.8	-4.8	X
eurjchem-2602	146	21	(	(	PUNCT
eurjchem-2602	146	22	a	a	NOUN
eurjchem-2602	146	23	)	)	PUNCT
eurjchem-2602	146	24	(	(	PUNCT
eurjchem-2602	146	25	b	b	X
eurjchem-2602	146	26	)	)	PUNCT
eurjchem-2602	146	27	(	(	PUNCT
eurjchem-2602	146	28	c	c	X
eurjchem-2602	146	29	)	)	PUNCT
eurjchem-2602	146	30	(	(	PUNCT
eurjchem-2602	146	31	d	d	X
eurjchem-2602	146	32	)	)	PUNCT
eurjchem-2602	146	33	(	(	PUNCT
eurjchem-2602	146	34	e	e	NOUN
eurjchem-2602	146	35	)	)	PUNCT
eurjchem-2602	146	36	(	(	PUNCT
eurjchem-2602	146	37	f	f	X
eurjchem-2602	146	38	)	)	PUNCT
eurjchem-2602	146	39	(	(	PUNCT
eurjchem-2602	146	40	g	g	NOUN
eurjchem-2602	146	41	)	)	PUNCT
eurjchem-2602	146	42	(	(	PUNCT
eurjchem-2602	146	43	h	h	NOUN
eurjchem-2602	146	44	)	)	PUNCT
eurjchem-2602	146	45	figure	figure	NOUN
eurjchem-2602	146	46	5	5	NUM
eurjchem-2602	146	47	.	.	PUNCT
eurjchem-2602	146	48	atom	atom	NOUN
eurjchem-2602	146	49	-	-	PUNCT
eurjchem-2602	146	50	atom	atom	NOUN
eurjchem-2602	146	51	interactions	interaction	NOUN
eurjchem-2602	146	52	and	and	CCONJ
eurjchem-2602	146	53	their	their	PRON
eurjchem-2602	146	54	contribution	contribution	NOUN
eurjchem-2602	146	55	through	through	ADP
eurjchem-2602	146	56	two	two	NUM
eurjchem-2602	146	57	-	-	PUNCT
eurjchem-2602	146	58	dimensional	dimensional	ADJ
eurjchem-2602	146	59	fingerprint	fingerprint	NOUN
eurjchem-2602	146	60	plots	plot	NOUN
eurjchem-2602	146	61	for	for	ADP
eurjchem-2602	146	62	the	the	DET
eurjchem-2602	146	63	title	title	NOUN
eurjchem-2602	146	64	compound	compound	NOUN
eurjchem-2602	146	65	,	,	PUNCT
eurjchem-2602	146	66	showing	show	VERB
eurjchem-2602	146	67	(	(	PUNCT
eurjchem-2602	146	68	a	a	PRON
eurjchem-2602	146	69	)	)	PUNCT
eurjchem-2602	146	70	h···h	h···h	PROPN
eurjchem-2602	146	71	,	,	PUNCT
eurjchem-2602	146	72	(	(	PUNCT
eurjchem-2602	146	73	b	b	X
eurjchem-2602	146	74	)	)	PUNCT
eurjchem-2602	146	75	i···h	i···h	PROPN
eurjchem-2602	146	76	/	/	SYM
eurjchem-2602	146	77	h···i	h···i	PROPN
eurjchem-2602	146	78	,	,	PUNCT
eurjchem-2602	146	79	(	(	PUNCT
eurjchem-2602	146	80	c	c	X
eurjchem-2602	146	81	)	)	PUNCT
eurjchem-2602	146	82	c···c	c···c	PROPN
eurjchem-2602	146	83	,	,	PUNCT
eurjchem-2602	146	84	(	(	PUNCT
eurjchem-2602	146	85	d	d	X
eurjchem-2602	146	86	)	)	PUNCT
eurjchem-2602	146	87	h···o	h···o	PROPN
eurjchem-2602	146	88	/	/	SYM
eurjchem-2602	146	89	o···h	o···h	PROPN
eurjchem-2602	146	90	,	,	PUNCT
eurjchem-2602	146	91	(	(	PUNCT
eurjchem-2602	146	92	e	e	X
eurjchem-2602	146	93	)	)	PUNCT
eurjchem-2602	146	94	n···c	n···c	PROPN
eurjchem-2602	146	95	/	/	SYM
eurjchem-2602	146	96	c···n	c···n	PROPN
eurjchem-2602	146	97	,	,	PUNCT
eurjchem-2602	146	98	(	(	PUNCT
eurjchem-2602	146	99	f	f	X
eurjchem-2602	146	100	)	)	PUNCT
eurjchem-2602	146	101	c···h	c···h	PROPN
eurjchem-2602	146	102	/	/	SYM
eurjchem-2602	146	103	h···c	h···c	PROPN
eurjchem-2602	146	104	,	,	PUNCT
eurjchem-2602	146	105	(	(	PUNCT
eurjchem-2602	146	106	g	g	NOUN
eurjchem-2602	146	107	)	)	PUNCT
eurjchem-2602	146	108	i···o	i···o	PROPN
eurjchem-2602	146	109	/	/	SYM
eurjchem-2602	146	110	o···i	o···i	PROPN
eurjchem-2602	146	111	,	,	PUNCT
eurjchem-2602	146	112	and	and	CCONJ
eurjchem-2602	146	113	(	(	PUNCT
eurjchem-2602	146	114	h	h	NOUN
eurjchem-2602	146	115	)	)	PUNCT
eurjchem-2602	146	116	h···n	h···n	PROPN
eurjchem-2602	146	117	/	/	SYM
eurjchem-2602	146	118	n···h	n···h	PROPN
eurjchem-2602	146	119	interactions	interaction	NOUN
eurjchem-2602	146	120	.	.	PUNCT
eurjchem-2602	147	1	surfaces	surface	NOUN
eurjchem-2602	147	2	3d	3d	NUM
eurjchem-2602	147	3	mapped	map	VERB
eurjchem-2602	147	4	with	with	ADP
eurjchem-2602	147	5	dnorm	dnorm	NOUN
eurjchem-2602	147	6	.	.	PUNCT
eurjchem-2602	148	1	the	the	DET
eurjchem-2602	148	2	dnorm	dnorm	NOUN
eurjchem-2602	148	3	surface	surface	NOUN
eurjchem-2602	148	4	shows	show	VERB
eurjchem-2602	148	5	the	the	DET
eurjchem-2602	148	6	close	close	ADJ
eurjchem-2602	148	7	contacts	contact	NOUN
eurjchem-2602	148	8	between	between	ADP
eurjchem-2602	148	9	hydrogen	hydrogen	NOUN
eurjchem-2602	148	10	bonds	bond	NOUN
eurjchem-2602	148	11	,	,	PUNCT
eurjchem-2602	148	12	indicating	indicate	VERB
eurjchem-2602	148	13	that	that	SCONJ
eurjchem-2602	148	14	intense	intense	ADJ
eurjchem-2602	148	15	red	red	ADJ
eurjchem-2602	148	16	spots	spot	NOUN
eurjchem-2602	148	17	correspond	correspond	VERB
eurjchem-2602	148	18	to	to	ADP
eurjchem-2602	148	19	c	c	NOUN
eurjchem-2602	148	20	-	-	PUNCT
eurjchem-2602	148	21	h···o	h···o	PROPN
eurjchem-2602	148	22	and	and	CCONJ
eurjchem-2602	148	23	c	c	NOUN
eurjchem-2602	148	24	-	-	PUNCT
eurjchem-2602	148	25	h···i	h···i	NOUN
eurjchem-2602	148	26	hydrogen	hydrogen	NOUN
eurjchem-2602	148	27	bond	bond	NOUN
eurjchem-2602	148	28	interactions	interaction	NOUN
eurjchem-2602	148	29	,	,	PUNCT
eurjchem-2602	148	30	as	as	SCONJ
eurjchem-2602	148	31	revealed	reveal	VERB
eurjchem-2602	148	32	in	in	ADP
eurjchem-2602	148	33	figure	figure	NOUN
eurjchem-2602	148	34	4d	4d	NUM
eurjchem-2602	148	35	.	.	PUNCT
eurjchem-2602	149	1	the	the	DET
eurjchem-2602	149	2	2d	2d	PROPN
eurjchem-2602	149	3	fingerprint	fingerprint	NOUN
eurjchem-2602	149	4	plots	plot	NOUN
eurjchem-2602	149	5	that	that	PRON
eurjchem-2602	149	6	estimate	estimate	VERB
eurjchem-2602	149	7	the	the	DET
eurjchem-2602	149	8	different	different	ADJ
eurjchem-2602	149	9	patterns	pattern	NOUN
eurjchem-2602	149	10	of	of	ADP
eurjchem-2602	149	11	interaction	interaction	NOUN
eurjchem-2602	149	12	in	in	ADP
eurjchem-2602	149	13	the	the	DET
eurjchem-2602	149	14	crystalline	crystalline	NOUN
eurjchem-2602	149	15	network	network	NOUN
eurjchem-2602	149	16	are	be	AUX
eurjchem-2602	149	17	illustrated	illustrate	VERB
eurjchem-2602	149	18	in	in	ADP
eurjchem-2602	149	19	figure	figure	NOUN
eurjchem-2602	149	20	5	5	NUM
eurjchem-2602	149	21	.	.	PUNCT
eurjchem-2602	150	1	the	the	DET
eurjchem-2602	150	2	intermolecular	intermolecular	ADJ
eurjchem-2602	150	3	interactions	interaction	NOUN
eurjchem-2602	150	4	h⋯h	h⋯h	X
eurjchem-2602	150	5	are	be	AUX
eurjchem-2602	150	6	most	most	ADV
eurjchem-2602	150	7	abundant	abundant	ADJ
eurjchem-2602	150	8	in	in	ADP
eurjchem-2602	150	9	the	the	DET
eurjchem-2602	150	10	crystalline	crystalline	ADJ
eurjchem-2602	150	11	frame	frame	NOUN
eurjchem-2602	150	12	[	[	X
eurjchem-2602	150	13	51.1	51.1	NUM
eurjchem-2602	150	14	%	%	NOUN
eurjchem-2602	150	15	(	(	PUNCT
eurjchem-2602	150	16	figure	figure	NOUN
eurjchem-2602	150	17	5a	5a	NUM
eurjchem-2602	150	18	)	)	PUNCT
eurjchem-2602	150	19	]	]	PUNCT
eurjchem-2602	150	20	.	.	PUNCT
eurjchem-2602	151	1	the	the	DET
eurjchem-2602	151	2	h⋯i	h⋯i	NOUN
eurjchem-2602	151	3	contact	contact	NOUN
eurjchem-2602	151	4	is	be	AUX
eurjchem-2602	151	5	the	the	DET
eurjchem-2602	151	6	other	other	ADJ
eurjchem-2602	151	7	most	most	ADV
eurjchem-2602	151	8	significant	significant	ADJ
eurjchem-2602	151	9	interaction	interaction	NOUN
eurjchem-2602	151	10	due	due	ADP
eurjchem-2602	151	11	to	to	ADP
eurjchem-2602	151	12	the	the	DET
eurjchem-2602	151	13	abundance	abundance	NOUN
eurjchem-2602	151	14	of	of	ADP
eurjchem-2602	151	15	hydrogen	hydrogen	NOUN
eurjchem-2602	151	16	on	on	ADP
eurjchem-2602	151	17	the	the	DET
eurjchem-2602	151	18	molecular	molecular	ADJ
eurjchem-2602	151	19	surface	surface	NOUN
eurjchem-2602	152	1	[	[	X
eurjchem-2602	152	2	27.5	27.5	NUM
eurjchem-2602	152	3	%	%	NOUN
eurjchem-2602	152	4	(	(	PUNCT
eurjchem-2602	152	5	figure	figure	NOUN
eurjchem-2602	152	6	5b	5b	NUM
eurjchem-2602	152	7	]	]	PUNCT
eurjchem-2602	152	8	.	.	PUNCT
eurjchem-2602	153	1	the	the	DET
eurjchem-2602	153	2	van	van	PROPN
eurjchem-2602	153	3	der	der	NOUN
eurjchem-2602	153	4	waals	waal	NOUN
eurjchem-2602	153	5	forces	force	NOUN
eurjchem-2602	153	6	have	have	VERB
eurjchem-2602	153	7	a	a	DET
eurjchem-2602	153	8	vital	vital	ADJ
eurjchem-2602	153	9	influence	influence	NOUN
eurjchem-2602	153	10	on	on	ADP
eurjchem-2602	153	11	the	the	DET
eurjchem-2602	153	12	stabilization	stabilization	NOUN
eurjchem-2602	153	13	of	of	ADP
eurjchem-2602	153	14	the	the	DET
eurjchem-2602	153	15	packaging	packaging	NOUN
eurjchem-2602	153	16	in	in	ADP
eurjchem-2602	153	17	the	the	DET
eurjchem-2602	153	18	crystalline	crystalline	NOUN
eurjchem-2602	153	19	structure	structure	NOUN
eurjchem-2602	153	20	.	.	PUNCT
eurjchem-2602	154	1	the	the	DET
eurjchem-2602	154	2	hirshfeld	hirshfeld	NOUN
eurjchem-2602	154	3	surfaces	surface	NOUN
eurjchem-2602	154	4	have	have	AUX
eurjchem-2602	154	5	been	be	AUX
eurjchem-2602	154	6	influenced	influence	VERB
eurjchem-2602	154	7	by	by	ADP
eurjchem-2602	154	8	further	further	ADJ
eurjchem-2602	154	9	intercontacts	intercontact	NOUN
eurjchem-2602	154	10	,	,	PUNCT
eurjchem-2602	154	11	including	include	VERB
eurjchem-2602	154	12	c⋯c	c⋯c	PRON
eurjchem-2602	154	13	(	(	PUNCT
eurjchem-2602	154	14	7.1	7.1	NUM
eurjchem-2602	154	15	%	%	NOUN
eurjchem-2602	154	16	)	)	PUNCT
eurjchem-2602	154	17	,	,	PUNCT
eurjchem-2602	154	18	o⋯h	o⋯h	ADJ
eurjchem-2602	154	19	(	(	PUNCT
eurjchem-2602	154	20	4.6	4.6	NUM
eurjchem-2602	154	21	%	%	NOUN
eurjchem-2602	154	22	)	)	PUNCT
eurjchem-2602	154	23	,	,	PUNCT
eurjchem-2602	154	24	n⋯c	n⋯c	ADV
eurjchem-2602	154	25	(	(	PUNCT
eurjchem-2602	154	26	4.2	4.2	NUM
eurjchem-2602	154	27	%	%	NOUN
eurjchem-2602	154	28	)	)	PUNCT
eurjchem-2602	154	29	,	,	PUNCT
eurjchem-2602	154	30	c⋯h	c⋯h	PROPN
eurjchem-2602	154	31	(	(	PUNCT
eurjchem-2602	154	32	3.8	3.8	NUM
eurjchem-2602	154	33	%	%	NOUN
eurjchem-2602	154	34	)	)	PUNCT
eurjchem-2602	154	35	,	,	PUNCT
eurjchem-2602	154	36	i⋯o	i⋯o	X
eurjchem-2602	154	37	(	(	PUNCT
eurjchem-2602	154	38	1.2	1.2	NUM
eurjchem-2602	154	39	%	%	NOUN
eurjchem-2602	154	40	)	)	PUNCT
eurjchem-2602	154	41	and	and	CCONJ
eurjchem-2602	154	42	n⋯h	n⋯h	X
eurjchem-2602	154	43	(	(	PUNCT
eurjchem-2602	154	44	0.5	0.5	NUM
eurjchem-2602	154	45	%	%	NOUN
eurjchem-2602	154	46	)	)	PUNCT
eurjchem-2602	154	47	.	.	PUNCT
eurjchem-2602	155	1	the	the	DET
eurjchem-2602	155	2	stability	stability	NOUN
eurjchem-2602	155	3	of	of	ADP
eurjchem-2602	155	4	molecular	molecular	ADJ
eurjchem-2602	155	5	structures	structure	NOUN
eurjchem-2602	155	6	is	be	AUX
eurjchem-2602	155	7	contingent	contingent	ADJ
eurjchem-2602	155	8	upon	upon	SCONJ
eurjchem-2602	155	9	the	the	DET
eurjchem-2602	155	10	energy	energy	NOUN
eurjchem-2602	155	11	associated	associate	VERB
eurjchem-2602	155	12	with	with	ADP
eurjchem-2602	155	13	intermolecular	intermolecular	ADJ
eurjchem-2602	155	14	interactions	interaction	NOUN
eurjchem-2602	155	15	,	,	PUNCT
eurjchem-2602	155	16	which	which	PRON
eurjchem-2602	155	17	were	be	AUX
eurjchem-2602	155	18	evaluated	evaluate	VERB
eurjchem-2602	155	19	through	through	ADP
eurjchem-2602	155	20	energy	energy	NOUN
eurjchem-2602	155	21	framework	framework	NOUN
eurjchem-2602	155	22	analysis	analysis	NOUN
eurjchem-2602	155	23	utilizing	utilize	VERB
eurjchem-2602	155	24	the	the	DET
eurjchem-2602	155	25	crystal	crystal	NOUN
eurjchem-2602	155	26	explorer21	explorer21	NOUN
eurjchem-2602	155	27	software	software	NOUN
eurjchem-2602	155	28	[	[	X
eurjchem-2602	155	29	35	35	NUM
eurjchem-2602	155	30	]	]	PUNCT
eurjchem-2602	155	31	.	.	PUNCT
eurjchem-2602	156	1	this	this	DET
eurjchem-2602	156	2	analytical	analytical	ADJ
eurjchem-2602	156	3	approach	approach	NOUN
eurjchem-2602	156	4	allows	allow	VERB
eurjchem-2602	156	5	for	for	ADP
eurjchem-2602	156	6	the	the	DET
eurjchem-2602	156	7	quantification	quantification	NOUN
eurjchem-2602	156	8	of	of	ADP
eurjchem-2602	156	9	contacts	contact	NOUN
eurjchem-2602	156	10	within	within	ADP
eurjchem-2602	156	11	the	the	DET
eurjchem-2602	156	12	crystal	crystal	NOUN
eurjchem-2602	156	13	packing	packing	NOUN
eurjchem-2602	156	14	and	and	CCONJ
eurjchem-2602	156	15	their	their	PRON
eurjchem-2602	156	16	visualization	visualization	NOUN
eurjchem-2602	156	17	as	as	ADP
eurjchem-2602	156	18	cylinders	cylinder	NOUN
eurjchem-2602	156	19	,	,	PUNCT
eurjchem-2602	156	20	with	with	ADP
eurjchem-2602	156	21	dimensions	dimension	NOUN
eurjchem-2602	156	22	that	that	PRON
eurjchem-2602	156	23	correspond	correspond	VERB
eurjchem-2602	156	24	to	to	ADP
eurjchem-2602	156	25	the	the	DET
eurjchem-2602	156	26	energy	energy	NOUN
eurjchem-2602	156	27	values	value	NOUN
eurjchem-2602	156	28	of	of	ADP
eurjchem-2602	156	29	interactions	interaction	NOUN
eurjchem-2602	156	30	between	between	ADP
eurjchem-2602	156	31	specific	specific	ADJ
eurjchem-2602	156	32	molecular	molecular	ADJ
eurjchem-2602	156	33	pairs	pair	NOUN
eurjchem-2602	156	34	.	.	PUNCT
eurjchem-2602	157	1	the	the	DET
eurjchem-2602	157	2	monomer	monomer	NOUN
eurjchem-2602	157	3	wave	wave	NOUN
eurjchem-2602	157	4	function	function	NOUN
eurjchem-2602	157	5	,	,	PUNCT
eurjchem-2602	157	6	derived	derive	VERB
eurjchem-2602	157	7	from	from	ADP
eurjchem-2602	157	8	the	the	DET
eurjchem-2602	157	9	b3lyp/6	b3lyp/6	NOUN
eurjchem-2602	157	10	-	-	NOUN
eurjchem-2602	157	11	31g(d	31g(d	PROPN
eurjchem-2602	157	12	,	,	PUNCT
eurjchem-2602	157	13	p	p	NOUN
eurjchem-2602	157	14	)	)	PUNCT
eurjchem-2602	157	15	computational	computational	ADJ
eurjchem-2602	157	16	method	method	NOUN
eurjchem-2602	157	17	via	via	ADP
eurjchem-2602	157	18	crystal	crystal	PROPN
eurjchem-2602	157	19	explorer21	explorer21	NOUN
eurjchem-2602	157	20	,	,	PUNCT
eurjchem-2602	157	21	was	be	AUX
eurjchem-2602	157	22	employed	employ	VERB
eurjchem-2602	157	23	to	to	PART
eurjchem-2602	157	24	quantify	quantify	VERB
eurjchem-2602	157	25	these	these	DET
eurjchem-2602	157	26	intermolecular	intermolecular	ADJ
eurjchem-2602	157	27	interactions	interaction	NOUN
eurjchem-2602	157	28	.	.	PUNCT
eurjchem-2602	158	1	the	the	DET
eurjchem-2602	158	2	findings	finding	NOUN
eurjchem-2602	158	3	are	be	AUX
eurjchem-2602	158	4	presented	present	VERB
eurjchem-2602	158	5	alongside	alongside	ADP
eurjchem-2602	158	6	the	the	DET
eurjchem-2602	158	7	probable	probable	ADJ
eurjchem-2602	158	8	intermolecular	intermolecular	ADJ
eurjchem-2602	158	9	interactions	interaction	NOUN
eurjchem-2602	158	10	occurring	occur	VERB
eurjchem-2602	158	11	at	at	ADP
eurjchem-2602	158	12	various	various	ADJ
eurjchem-2602	158	13	energy	energy	NOUN
eurjchem-2602	158	14	levels	level	NOUN
eurjchem-2602	158	15	,	,	PUNCT
eurjchem-2602	158	16	as	as	SCONJ
eurjchem-2602	158	17	detailed	detailed	ADJ
eurjchem-2602	158	18	in	in	ADP
eurjchem-2602	158	19	table	table	NOUN
eurjchem-2602	158	20	5	5	NUM
eurjchem-2602	158	21	.	.	PUNCT
eurjchem-2602	159	1	we	we	PRON
eurjchem-2602	159	2	calculated	calculate	VERB
eurjchem-2602	159	3	the	the	DET
eurjchem-2602	159	4	total	total	ADJ
eurjchem-2602	159	5	interaction	interaction	NOUN
eurjchem-2602	159	6	energy	energy	NOUN
eurjchem-2602	159	7	by	by	ADP
eurjchem-2602	159	8	taking	take	VERB
eurjchem-2602	159	9	into	into	ADP
eurjchem-2602	159	10	account	account	NOUN
eurjchem-2602	159	11	the	the	DET
eurjchem-2602	159	12	contributions	contribution	NOUN
eurjchem-2602	159	13	from	from	ADP
eurjchem-2602	159	14	coulombic	coulombic	ADJ
eurjchem-2602	159	15	,	,	PUNCT
eurjchem-2602	159	16	polarization	polarization	NOUN
eurjchem-2602	159	17	,	,	PUNCT
eurjchem-2602	159	18	dispersion	dispersion	NOUN
eurjchem-2602	159	19	,	,	PUNCT
eurjchem-2602	159	20	and	and	CCONJ
eurjchem-2602	159	21	repulsion	repulsion	NOUN
eurjchem-2602	159	22	forces	force	NOUN
eurjchem-2602	159	23	within	within	ADP
eurjchem-2602	159	24	a	a	DET
eurjchem-2602	159	25	molecular	molecular	ADJ
eurjchem-2602	159	26	cluster	cluster	NOUN
eurjchem-2602	159	27	with	with	ADP
eurjchem-2602	159	28	a	a	DET
eurjchem-2602	159	29	radius	radius	NOUN
eurjchem-2602	159	30	of	of	ADP
eurjchem-2602	159	31	3.8	3.8	NUM
eurjchem-2602	159	32	å	å	NOUN
eurjchem-2602	159	33	.	.	PUNCT
eurjchem-2602	160	1	as	as	SCONJ
eurjchem-2602	160	2	indicated	indicate	VERB
eurjchem-2602	160	3	in	in	ADP
eurjchem-2602	160	4	table	table	NOUN
eurjchem-2602	160	5	5	5	NUM
eurjchem-2602	160	6	,	,	PUNCT
eurjchem-2602	160	7	the	the	DET
eurjchem-2602	160	8	dispersion	dispersion	NOUN
eurjchem-2602	160	9	component	component	NOUN
eurjchem-2602	160	10	emerged	emerge	VERB
eurjchem-2602	160	11	as	as	ADP
eurjchem-2602	160	12	the	the	DET
eurjchem-2602	160	13	predominant	predominant	ADJ
eurjchem-2602	160	14	contributor	contributor	NOUN
eurjchem-2602	160	15	to	to	ADP
eurjchem-2602	160	16	each	each	DET
eurjchem-2602	160	17	interaction	interaction	NOUN
eurjchem-2602	160	18	,	,	PUNCT
eurjchem-2602	160	19	followed	follow	VERB
eurjchem-2602	160	20	by	by	ADP
eurjchem-2602	160	21	the	the	DET
eurjchem-2602	160	22	electrostatic	electrostatic	ADJ
eurjchem-2602	160	23	,	,	PUNCT
eurjchem-2602	160	24	polarization	polarization	NOUN
eurjchem-2602	160	25	,	,	PUNCT
eurjchem-2602	160	26	and	and	CCONJ
eurjchem-2602	160	27	repulsion	repulsion	NOUN
eurjchem-2602	160	28	energies	energy	NOUN
eurjchem-2602	160	29	,	,	PUNCT
eurjchem-2602	160	30	respectively	respectively	ADV
eurjchem-2602	160	31	.	.	PUNCT
eurjchem-2602	161	1	the	the	DET
eurjchem-2602	161	2	energy	energy	NOUN
eurjchem-2602	161	3	frameworks	framework	NOUN
eurjchem-2602	161	4	provide	provide	VERB
eurjchem-2602	161	5	a	a	DET
eurjchem-2602	161	6	graphical	graphical	ADJ
eurjchem-2602	161	7	representation	representation	NOUN
eurjchem-2602	161	8	of	of	ADP
eurjchem-2602	161	9	the	the	DET
eurjchem-2602	161	10	magnitudes	magnitude	NOUN
eurjchem-2602	161	11	of	of	ADP
eurjchem-2602	161	12	intermolecular	intermolecular	ADJ
eurjchem-2602	161	13	interaction	interaction	NOUN
eurjchem-2602	161	14	energies	energy	NOUN
eurjchem-2602	161	15	,	,	PUNCT
eurjchem-2602	161	16	thereby	thereby	ADV
eurjchem-2602	161	17	facilitating	facilitate	VERB
eurjchem-2602	161	18	visualization	visualization	NOUN
eurjchem-2602	161	19	of	of	ADP
eurjchem-2602	161	20	the	the	DET
eurjchem-2602	161	21	supramolecular	supramolecular	ADJ
eurjchem-2602	161	22	architecture	architecture	NOUN
eurjchem-2602	161	23	of	of	ADP
eurjchem-2602	161	24	the	the	DET
eurjchem-2602	161	25	crystal	crystal	NOUN
eurjchem-2602	161	26	structure	structure	NOUN
eurjchem-2602	161	27	.	.	PUNCT
eurjchem-2602	162	1	the	the	DET
eurjchem-2602	162	2	interactions	interaction	NOUN
eurjchem-2602	162	3	between	between	ADP
eurjchem-2602	162	4	molecular	molecular	ADJ
eurjchem-2602	162	5	pairs	pair	NOUN
eurjchem-2602	162	6	are	be	AUX
eurjchem-2602	162	7	depicted	depict	VERB
eurjchem-2602	162	8	as	as	ADP
eurjchem-2602	162	9	cylinders	cylinder	NOUN
eurjchem-2602	162	10	connecting	connect	VERB
eurjchem-2602	162	11	the	the	DET
eurjchem-2602	162	12	centroids	centroid	NOUN
eurjchem-2602	162	13	of	of	ADP
eurjchem-2602	162	14	the	the	DET
eurjchem-2602	162	15	respective	respective	ADJ
eurjchem-2602	162	16	molecules	molecule	NOUN
eurjchem-2602	162	17	,	,	PUNCT
eurjchem-2602	162	18	the	the	DET
eurjchem-2602	162	19	radius	radius	NOUN
eurjchem-2602	162	20	of	of	ADP
eurjchem-2602	162	21	each	each	DET
eurjchem-2602	162	22	cylinder	cylinder	NOUN
eurjchem-2602	162	23	being	be	AUX
eurjchem-2602	162	24	proportional	proportional	ADJ
eurjchem-2602	162	25	to	to	ADP
eurjchem-2602	162	26	the	the	DET
eurjchem-2602	162	27	magnitude	magnitude	NOUN
eurjchem-2602	162	28	of	of	ADP
eurjchem-2602	162	29	the	the	DET
eurjchem-2602	162	30	interaction	interaction	NOUN
eurjchem-2602	162	31	energy	energy	NOUN
eurjchem-2602	162	32	.	.	PUNCT
eurjchem-2602	163	1	in	in	ADP
eurjchem-2602	163	2	figure	figure	NOUN
eurjchem-2602	163	3	6	6	NUM
eurjchem-2602	163	4	,	,	PUNCT
eurjchem-2602	163	5	the	the	DET
eurjchem-2602	163	6	energy	energy	NOUN
eurjchem-2602	163	7	frameworks	framework	NOUN
eurjchem-2602	163	8	for	for	ADP
eurjchem-2602	163	9	electrostatic	electrostatic	ADJ
eurjchem-2602	163	10	energy	energy	NOUN
eurjchem-2602	163	11	(	(	PUNCT
eurjchem-2602	163	12	eele	eele	PROPN
eurjchem-2602	163	13	)	)	PUNCT
eurjchem-2602	163	14	are	be	AUX
eurjchem-2602	163	15	illustrated	illustrate	VERB
eurjchem-2602	163	16	as	as	ADP
eurjchem-2602	163	17	red	red	ADJ
eurjchem-2602	163	18	cylinders	cylinder	NOUN
eurjchem-2602	163	19	(	(	PUNCT
eurjchem-2602	163	20	figure	figure	VERB
eurjchem-2602	163	21	6a	6a	NOUN
eurjchem-2602	163	22	)	)	PUNCT
eurjchem-2602	163	23	,	,	PUNCT
eurjchem-2602	163	24	dispersion	dispersion	NOUN
eurjchem-2602	163	25	energy	energy	NOUN
eurjchem-2602	163	26	(	(	PUNCT
eurjchem-2602	163	27	edis	edis	PROPN
eurjchem-2602	163	28	)	)	PUNCT
eurjchem-2602	163	29	as	as	ADP
eurjchem-2602	163	30	green	green	ADJ
eurjchem-2602	163	31	cylinders	cylinder	NOUN
eurjchem-2602	163	32	(	(	PUNCT
eurjchem-2602	163	33	figure	figure	NOUN
eurjchem-2602	163	34	6b	6b	NUM
eurjchem-2602	163	35	)	)	PUNCT
eurjchem-2602	163	36	,	,	PUNCT
eurjchem-2602	163	37	and	and	CCONJ
eurjchem-2602	163	38	total	total	ADJ
eurjchem-2602	163	39	energy	energy	NOUN
eurjchem-2602	163	40	(	(	PUNCT
eurjchem-2602	163	41	etot	etot	VERB
eurjchem-2602	163	42	)	)	PUNCT
eurjchem-2602	163	43	in	in	ADP
eurjchem-2602	163	44	blue	blue	ADJ
eurjchem-2602	163	45	(	(	PUNCT
eurjchem-2602	163	46	figure	figure	NOUN
eurjchem-2602	163	47	6c	6c	PROPN
eurjchem-2602	163	48	)	)	PUNCT
eurjchem-2602	163	49	,	,	PUNCT
eurjchem-2602	163	50	arranged	arrange	VERB
eurjchem-2602	163	51	to	to	PART
eurjchem-2602	163	52	form	form	VERB
eurjchem-2602	163	53	zigzag	zigzag	NOUN
eurjchem-2602	163	54	ribbons	ribbon	NOUN
eurjchem-2602	163	55	extending	extend	VERB
eurjchem-2602	163	56	along	along	ADP
eurjchem-2602	163	57	the	the	DET
eurjchem-2602	163	58	c	c	NOUN
eurjchem-2602	163	59	-	-	PUNCT
eurjchem-2602	163	60	axis	axis	NOUN
eurjchem-2602	163	61	.	.	PUNCT
eurjchem-2602	164	1	these	these	DET
eurjchem-2602	164	2	cylinders	cylinder	NOUN
eurjchem-2602	164	3	reflect	reflect	VERB
eurjchem-2602	164	4	the	the	DET
eurjchem-2602	164	5	relative	relative	ADJ
eurjchem-2602	164	6	strength	strength	NOUN
eurjchem-2602	164	7	of	of	ADP
eurjchem-2602	164	8	molecular	molecular	ADJ
eurjchem-2602	164	9	packing	packing	NOUN
eurjchem-2602	164	10	in	in	ADP
eurjchem-2602	164	11	various	various	ADJ
eurjchem-2602	164	12	orientations	orientation	NOUN
eurjchem-2602	164	13	.	.	PUNCT
eurjchem-2602	165	1	the	the	DET
eurjchem-2602	165	2	analysis	analysis	NOUN
eurjchem-2602	165	3	clearly	clearly	ADV
eurjchem-2602	165	4	indicates	indicate	VERB
eurjchem-2602	165	5	that	that	SCONJ
eurjchem-2602	165	6	the	the	DET
eurjchem-2602	165	7	dispersion	dispersion	NOUN
eurjchem-2602	165	8	energy	energy	NOUN
eurjchem-2602	165	9	,	,	PUNCT
eurjchem-2602	165	10	which	which	PRON
eurjchem-2602	165	11	is	be	AUX
eurjchem-2602	165	12	critical	critical	ADJ
eurjchem-2602	165	13	for	for	ADP
eurjchem-2602	165	14	molecular	molecular	ADJ
eurjchem-2602	165	15	stability	stability	NOUN
eurjchem-2602	165	16	,	,	PUNCT
eurjchem-2602	165	17	constitutes	constitute	VERB
eurjchem-2602	165	18	the	the	DET
eurjchem-2602	165	19	most	most	ADV
eurjchem-2602	165	20	significant	significant	ADJ
eurjchem-2602	165	21	contribution	contribution	NOUN
eurjchem-2602	165	22	,	,	PUNCT
eurjchem-2602	165	23	a	a	DET
eurjchem-2602	165	24	conclusion	conclusion	NOUN
eurjchem-2602	165	25	that	that	PRON
eurjchem-2602	165	26	aligns	align	VERB
eurjchem-2602	165	27	with	with	ADP
eurjchem-2602	165	28	observations	observation	NOUN
eurjchem-2602	165	29	made	make	VERB
eurjchem-2602	165	30	in	in	ADP
eurjchem-2602	165	31	analogous	analogous	ADJ
eurjchem-2602	165	32	benzimidazole	benzimidazole	NOUN
eurjchem-2602	165	33	derivatives	derivative	NOUN
eurjchem-2602	166	1	[	[	X
eurjchem-2602	166	2	41,42	41,42	NOUN
eurjchem-2602	166	3	]	]	SYM
eurjchem-2602	166	4	.	.	PUNCT
eurjchem-2602	167	1	3.3	3.3	NUM
eurjchem-2602	167	2	.	.	PUNCT
eurjchem-2602	168	1	computational	computational	ADJ
eurjchem-2602	168	2	studies	study	NOUN
eurjchem-2602	168	3	3.3.1	3.3.1	NUM
eurjchem-2602	168	4	.	.	PUNCT
eurjchem-2602	168	5	optimized	optimize	VERB
eurjchem-2602	168	6	geometry	geometry	NOUN
eurjchem-2602	168	7	1,3	1,3	NUM
eurjchem-2602	168	8	-	-	PUNCT
eurjchem-2602	168	9	dimethyl-3h	dimethyl-3h	NOUN
eurjchem-2602	168	10	-	-	PUNCT
eurjchem-2602	168	11	benzimidazol-1	benzimidazol-1	NOUN
eurjchem-2602	168	12	-	-	PUNCT
eurjchem-2602	168	13	ium	ium	NOUN
eurjchem-2602	168	14	(	(	PUNCT
eurjchem-2602	168	15	dbz	dbz	PROPN
eurjchem-2602	168	16	)	)	PUNCT
eurjchem-2602	168	17	(	(	PUNCT
eurjchem-2602	168	18	a	a	X
eurjchem-2602	168	19	)	)	PUNCT
eurjchem-2602	168	20	,	,	PUNCT
eurjchem-2602	168	21	1,3dimethyl-3h	1,3dimethyl-3h	NUM
eurjchem-2602	168	22	-	-	PUNCT
eurjchem-2602	168	23	benzimidazol-1	benzimidazol-1	NUM
eurjchem-2602	168	24	-	-	PUNCT
eurjchem-2602	168	25	ium	ium	NOUN
eurjchem-2602	168	26	monohydrate	monohydrate	NOUN
eurjchem-2602	168	27	(	(	PUNCT
eurjchem-2602	168	28	dbzw	dbzw	PROPN
eurjchem-2602	168	29	)	)	PUNCT
eurjchem-2602	168	30	(	(	PUNCT
eurjchem-2602	168	31	b	b	NOUN
eurjchem-2602	168	32	)	)	PUNCT
eurjchem-2602	168	33	,	,	PUNCT
eurjchem-2602	168	34	structures	structure	NOUN
eurjchem-2602	168	35	were	be	AUX
eurjchem-2602	168	36	optimized	optimize	VERB
eurjchem-2602	168	37	at	at	ADP
eurjchem-2602	168	38	the	the	DET
eurjchem-2602	168	39	b3lyp/6	b3lyp/6	NOUN
eurjchem-2602	168	40	-	-	NOUN
eurjchem-2602	168	41	311++g(d	311++g(d	PROPN
eurjchem-2602	168	42	,	,	PUNCT
eurjchem-2602	168	43	p	p	NOUN
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eurjchem-2602	168	47	and	and	CCONJ
eurjchem-2602	168	48	1,3	1,3	NUM
eurjchem-2602	168	49	-	-	PUNCT
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eurjchem-2602	168	51	-	-	PUNCT
eurjchem-2602	168	52	benzimidazol-1	benzimidazol-1	NUM
eurjchem-2602	168	53	-	-	PUNCT
eurjchem-2602	168	54	ium	ium	NOUN
eurjchem-2602	168	55	iodine	iodine	NOUN
eurjchem-2602	168	56	(	(	PUNCT
eurjchem-2602	168	57	dbzi	dbzi	NOUN
eurjchem-2602	168	58	)	)	PUNCT
eurjchem-2602	168	59	(	(	PUNCT
eurjchem-2602	168	60	c	c	NOUN
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eurjchem-2602	168	64	-	-	PUNCT
eurjchem-2602	168	65	dimethyl-3h	dimethyl-3h	NOUN
eurjchem-2602	168	66	-	-	PUNCT
eurjchem-2602	168	67	benzimidazol-1	benzimidazol-1	NUM
eurjchem-2602	168	68	-	-	PUNCT
eurjchem-2602	168	69	ium	ium	NOUN
eurjchem-2602	168	70	iodide	iodide	NOUN
eurjchem-2602	168	71	monohydrate	monohydrate	NOUN
eurjchem-2602	168	72	(	(	PUNCT
eurjchem-2602	168	73	dbziw	dbziw	ADV
eurjchem-2602	168	74	)	)	PUNCT
eurjchem-2602	168	75	(	(	PUNCT
eurjchem-2602	168	76	d	d	X
eurjchem-2602	168	77	)	)	PUNCT
eurjchem-2602	168	78	structures	structure	NOUN
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eurjchem-2602	168	80	optimized	optimize	VERB
eurjchem-2602	168	81	at	at	ADP
eurjchem-2602	168	82	the	the	DET
eurjchem-2602	168	83	b3lyp	b3lyp	SYM
eurjchem-2602	168	84	/	/	SYM
eurjchem-2602	168	85	def2tzvp	def2tzvp	PROPN
eurjchem-2602	168	86	method	method	NOUN
eurjchem-2602	168	87	using	use	VERB
eurjchem-2602	168	88	gaussian09	gaussian09	NOUN
eurjchem-2602	168	89	software	software	NOUN
eurjchem-2602	168	90	,	,	PUNCT
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eurjchem-2602	168	92	shown	show	VERB
eurjchem-2602	168	93	in	in	ADP
eurjchem-2602	168	94	figure	figure	NOUN
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eurjchem-2602	168	96	.	.	PUNCT
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eurjchem-2602	169	2	diffuse	diffuse	NOUN
eurjchem-2602	169	3	function	function	NOUN
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eurjchem-2602	169	5	been	be	AUX
eurjchem-2602	169	6	used	use	VERB
eurjchem-2602	169	7	for	for	ADP
eurjchem-2602	169	8	structure	structure	NOUN
eurjchem-2602	169	9	optimization	optimization	NOUN
eurjchem-2602	169	10	by	by	ADP
eurjchem-2602	169	11	optimizing	optimize	VERB
eurjchem-2602	169	12	the	the	DET
eurjchem-2602	169	13	benzimidazole	benzimidazole	ADJ
eurjchem-2602	169	14	derivatives	derivative	NOUN
eurjchem-2602	169	15	with	with	ADP
eurjchem-2602	169	16	and	and	CCONJ
eurjchem-2602	169	17	without	without	ADP
eurjchem-2602	169	18	iodine	iodine	NOUN
eurjchem-2602	169	19	and	and	CCONJ
eurjchem-2602	169	20	water	water	NOUN
eurjchem-2602	169	21	;	;	PUNCT
eurjchem-2602	169	22	it	it	PRON
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eurjchem-2602	169	26	reach	reach	VERB
eurjchem-2602	169	27	a	a	DET
eurjchem-2602	169	28	conclusion	conclusion	NOUN
eurjchem-2602	169	29	regarding	regard	VERB
eurjchem-2602	169	30	the	the	DET
eurjchem-2602	169	31	involvement	involvement	NOUN
eurjchem-2602	169	32	of	of	ADP
eurjchem-2602	169	33	these	these	DET
eurjchem-2602	169	34	molecules	molecule	NOUN
eurjchem-2602	169	35	in	in	ADP
eurjchem-2602	169	36	the	the	DET
eurjchem-2602	169	37	benzimidazole	benzimidazole	ADJ
eurjchem-2602	169	38	derivatives	derivative	NOUN
eurjchem-2602	169	39	.	.	PUNCT
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eurjchem-2602	170	2	6	6	NUM
eurjchem-2602	170	3	compares	compare	VERB
eurjchem-2602	170	4	the	the	DET
eurjchem-2602	170	5	calculated	calculated	ADJ
eurjchem-2602	170	6	bond	bond	NOUN
eurjchem-2602	170	7	lengths	length	NOUN
eurjchem-2602	170	8	and	and	CCONJ
eurjchem-2602	170	9	bond	bond	NOUN
eurjchem-2602	170	10	angles	angle	NOUN
eurjchem-2602	170	11	of	of	ADP
eurjchem-2602	170	12	(	(	PUNCT
eurjchem-2602	170	13	a	a	PRON
eurjchem-2602	170	14	)	)	PUNCT
eurjchem-2602	170	15	dbz	dbz	PROPN
eurjchem-2602	170	16	,	,	PUNCT
eurjchem-2602	170	17	(	(	PUNCT
eurjchem-2602	170	18	b	b	X
eurjchem-2602	170	19	)	)	PUNCT
eurjchem-2602	170	20	dbzw	dbzw	NOUN
eurjchem-2602	170	21	,	,	PUNCT
eurjchem-2602	170	22	(	(	PUNCT
eurjchem-2602	170	23	c	c	NOUN
eurjchem-2602	170	24	)	)	PUNCT
eurjchem-2602	170	25	dbzi	dbzi	NOUN
eurjchem-2602	170	26	and	and	CCONJ
eurjchem-2602	170	27	(	(	PUNCT
eurjchem-2602	170	28	d	d	X
eurjchem-2602	170	29	)	)	PUNCT
eurjchem-2602	170	30	dbziw	dbziw	ADV
eurjchem-2602	170	31	with	with	ADP
eurjchem-2602	170	32	experimental	experimental	ADJ
eurjchem-2602	170	33	x	x	ADJ
eurjchem-2602	170	34	-	-	NOUN
eurjchem-2602	170	35	ray	ray	NOUN
eurjchem-2602	170	36	diffraction	diffraction	NOUN
eurjchem-2602	170	37	data	datum	NOUN
eurjchem-2602	170	38	on	on	ADP
eurjchem-2602	170	39	bond	bond	NOUN
eurjchem-2602	170	40	lengths	length	NOUN
eurjchem-2602	170	41	and	and	CCONJ
eurjchem-2602	170	42	bond	bond	NOUN
eurjchem-2602	170	43	angles	angle	NOUN
eurjchem-2602	170	44	.	.	PUNCT
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eurjchem-2602	171	2	et	et	PROPN
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eurjchem-2602	171	10	16	16	NUM
eurjchem-2602	171	11	(	(	PUNCT
eurjchem-2602	171	12	1	1	NUM
eurjchem-2602	171	13	)	)	PUNCT
eurjchem-2602	171	14	(	(	PUNCT
eurjchem-2602	171	15	2025	2025	NUM
eurjchem-2602	171	16	)	)	PUNCT
eurjchem-2602	171	17	7	7	NUM
eurjchem-2602	171	18	-	-	SYM
eurjchem-2602	171	19	19	19	NUM
eurjchem-2602	171	20	13	13	NUM
eurjchem-2602	171	21	2025	2025	NUM
eurjchem-2602	171	22	–	–	PUNCT
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eurjchem-2602	171	26	chemistry	chemistry	NOUN
eurjchem-2602	171	27	–	–	PUNCT
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eurjchem-2602	171	30	nc	nc	PROPN
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eurjchem-2602	171	37	-	-	PUNCT
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eurjchem-2602	171	41	.	.	PUNCT
eurjchem-2602	172	1	bond	bond	NOUN
eurjchem-2602	172	2	lengths	length	NOUN
eurjchem-2602	172	3	(	(	PUNCT
eurjchem-2602	172	4	å	å	NOUN
eurjchem-2602	172	5	)	)	PUNCT
eurjchem-2602	172	6	and	and	CCONJ
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eurjchem-2602	172	9	(	(	PUNCT
eurjchem-2602	172	10	°	°	NOUN
eurjchem-2602	172	11	)	)	PUNCT
eurjchem-2602	172	12	involving	involve	VERB
eurjchem-2602	172	13	non	non	ADJ
eurjchem-2602	172	14	-	-	ADJ
eurjchem-2602	172	15	hydrogen	hydrogen	ADJ
eurjchem-2602	172	16	atoms	atom	NOUN
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eurjchem-2602	172	20	-	-	NOUN
eurjchem-2602	172	21	ray	ray	NOUN
eurjchem-2602	172	22	diffraction	diffraction	NOUN
eurjchem-2602	172	23	data	datum	NOUN
eurjchem-2602	172	24	(	(	PUNCT
eurjchem-2602	172	25	with	with	ADP
eurjchem-2602	172	26	estimated	estimate	VERB
eurjchem-2602	172	27	standard	standard	ADJ
eurjchem-2602	172	28	deviation	deviation	NOUN
eurjchem-2602	172	29	in	in	ADP
eurjchem-2602	172	30	brackets	bracket	NOUN
eurjchem-2602	172	31	)	)	PUNCT
eurjchem-2602	172	32	and	and	CCONJ
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eurjchem-2602	172	34	calculations	calculation	NOUN
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eurjchem-2602	172	38	.	.	PUNCT
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eurjchem-2602	173	3	(	(	PUNCT
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eurjchem-2602	173	5	)	)	PUNCT
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eurjchem-2602	173	13	using	use	VERB
eurjchem-2602	173	14	gaussian	gaussian	ADJ
eurjchem-2602	173	15	software	software	NOUN
eurjchem-2602	173	16	dbziw	dbziw	PROPN
eurjchem-2602	173	17	dbz	dbz	PROPN
eurjchem-2602	173	18	b3lyp/6	b3lyp/6	PROPN
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eurjchem-2602	173	21	,	,	PUNCT
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eurjchem-2602	173	25	b3lyp/6	b3lyp/6	PROPN
eurjchem-2602	173	26	-	-	NOUN
eurjchem-2602	173	27	311++g(d	311++g(d	PROPN
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eurjchem-2602	173	30	)	)	PUNCT
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eurjchem-2602	173	35	-	-	PUNCT
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eurjchem-2602	173	41	-	-	PUNCT
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eurjchem-2602	173	52	)	)	PUNCT
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eurjchem-2602	173	57	n1c5	n1c5	X
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eurjchem-2602	173	59	)	)	PUNCT
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eurjchem-2602	173	63	1.3904	1.3904	NUM
eurjchem-2602	173	64	n2c1	n2c1	ADP
eurjchem-2602	173	65	1.331(4	1.331(4	NUM
eurjchem-2602	173	66	)	)	PUNCT
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eurjchem-2602	173	71	n2c3	n2c3	NOUN
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eurjchem-2602	173	78	n2c4	n2c4	SYM
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eurjchem-2602	173	85	c4c5	c4c5	ADP
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eurjchem-2602	173	92	c4c9	c4c9	PROPN
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eurjchem-2602	173	165	)	)	PUNCT
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eurjchem-2602	173	167	109.5562	109.5562	NUM
eurjchem-2602	173	168	108.0198	108.0198	NUM
eurjchem-2602	173	169	108.0449	108.0449	NUM
eurjchem-2602	173	170	c1n2c3	c1n2c3	NOUN
eurjchem-2602	173	171	126.3(3	126.3(3	NUM
eurjchem-2602	173	172	)	)	PUNCT
eurjchem-2602	173	173	128.9454	128.9454	NUM
eurjchem-2602	173	174	123.0022	123.0022	NUM
eurjchem-2602	173	175	123.8107	123.8107	NUM
eurjchem-2602	173	176	124.5166	124.5166	NUM
eurjchem-2602	173	177	c4n2c3	c4n2c3	NOUN
eurjchem-2602	173	178	125.7(3	125.7(3	NUM
eurjchem-2602	173	179	)	)	PUNCT
eurjchem-2602	173	180	128.9454	128.9454	NUM
eurjchem-2602	173	181	124.6645	124.6645	NUM
eurjchem-2602	173	182	131.8677	131.8677	NUM
eurjchem-2602	173	183	126.1806	126.1806	NUM
eurjchem-2602	173	184	n1c1n2	n1c1n2	ADJ
eurjchem-2602	173	185	110.2(3	110.2(3	NUM
eurjchem-2602	173	186	)	)	PUNCT
eurjchem-2602	173	187	110.8848	110.8848	NUM
eurjchem-2602	173	188	104.9934	104.9934	NUM
eurjchem-2602	173	189	109.7621	109.7621	NUM
eurjchem-2602	173	190	110.4255	110.4255	NUM
eurjchem-2602	173	191	c5c4n2	c5c4n2	NOUN
eurjchem-2602	173	192	106.9(3	106.9(3	NUM
eurjchem-2602	173	193	)	)	PUNCT
eurjchem-2602	173	194	111.3471	111.3471	NUM
eurjchem-2602	173	195	107.1242	107.1242	NUM
eurjchem-2602	173	196	106.7050	106.7050	NUM
eurjchem-2602	173	197	106.5814	106.5814	NUM
eurjchem-2602	173	198	c5c4c9	c5c4c9	PROPN
eurjchem-2602	173	199	121.9(3	121.9(3	NUM
eurjchem-2602	173	200	)	)	PUNCT
eurjchem-2602	173	201	121.4253	121.4253	NUM
eurjchem-2602	173	202	121.0422	121.0422	NUM
eurjchem-2602	173	203	121.4273	121.4273	NUM
eurjchem-2602	173	204	121.4981	121.4981	NUM
eurjchem-2602	173	205	n2c4c9	n2c4c9	PROPN
eurjchem-2602	173	206	131.1(3	131.1(3	NUM
eurjchem-2602	173	207	)	)	PUNCT
eurjchem-2602	173	208	127.1956	127.1956	NUM
eurjchem-2602	174	1	131.8230	131.8230	NUM
eurjchem-2602	174	2	131.8677	131.8677	NUM
eurjchem-2602	174	3	131.9204	131.9204	NUM
eurjchem-2602	174	4	c4c5c6	c4c5c6	NOUN
eurjchem-2602	174	5	122.2(3	122.2(3	NUM
eurjchem-2602	174	6	)	)	PUNCT
eurjchem-2602	174	7	121.4188	121.4188	NUM
eurjchem-2602	174	8	121.0427	121.0427	NUM
eurjchem-2602	174	9	121.4274	121.4274	NUM
eurjchem-2602	174	10	121.6190	121.6190	NUM
eurjchem-2602	174	11	c4c5n1	c4c5n1	PROPN
eurjchem-2602	174	12	106.7(3	106.7(3	NUM
eurjchem-2602	174	13	)	)	PUNCT
eurjchem-2602	174	14	111.3538	111.3538	NUM
eurjchem-2602	174	15	107.2947	107.2947	NUM
eurjchem-2602	174	16	106.7049	106.7049	NUM
eurjchem-2602	174	17	106.5979	106.5979	NUM
eurjchem-2602	174	18	c6c5n1	c6c5n1	NOUN
eurjchem-2602	174	19	131.2(3	131.2(3	NUM
eurjchem-2602	174	20	)	)	PUNCT
eurjchem-2602	174	21	127.1952	127.1952	NUM
eurjchem-2602	174	22	131.6474	131.6474	NUM
eurjchem-2602	174	23	131.8678	131.8678	NUM
eurjchem-2602	174	24	131.7826	131.7826	NUM
eurjchem-2602	174	25	c7c6c5	c7c6c5	PROPN
eurjchem-2602	174	26	116.3(4	116.3(4	NOUN
eurjchem-2602	174	27	)	)	PUNCT
eurjchem-2602	174	28	117.9550	117.9550	NUM
eurjchem-2602	174	29	117.6025	117.6025	NUM
eurjchem-2602	174	30	117.1083	117.1083	NUM
eurjchem-2602	174	31	116.8569	116.8569	NUM
eurjchem-2602	174	32	c6c7c8	c6c7c8	NOUN
eurjchem-2602	174	33	121.9(4	121.9(4	NUM
eurjchem-2602	174	34	)	)	PUNCT
eurjchem-2602	174	35	120.6229	120.6229	NUM
eurjchem-2602	175	1	121.2618	121.2618	NUM
eurjchem-2602	175	2	121.4639	121.4639	NUM
eurjchem-2602	175	3	121.5800	121.5800	NUM
eurjchem-2602	175	4	c9	c9	NOUN
eurjchem-2602	175	5	-	-	PUNCT
eurjchem-2602	175	6	c8c7	c8c7	NOUN
eurjchem-2602	175	7	121.7(4	121.7(4	NUM
eurjchem-2602	175	8	)	)	PUNCT
eurjchem-2602	175	9	120.6153	120.6153	NUM
eurjchem-2602	175	10	121.2752	121.2752	NUM
eurjchem-2602	175	11	121.4639	121.4639	NUM
eurjchem-2602	175	12	121.5794	121.5794	NUM
eurjchem-2602	175	13	c8	c8	PROPN
eurjchem-2602	175	14	-	-	PUNCT
eurjchem-2602	175	15	c9c4	c9c4	NOUN
eurjchem-2602	175	16	115.9(4	115.9(4	NOUN
eurjchem-2602	175	17	)	)	PUNCT
eurjchem-2602	176	1	117.9551	117.9551	NUM
eurjchem-2602	176	2	117.7638	117.7638	NUM
eurjchem-2602	176	3	117.1083	117.1083	NUM
eurjchem-2602	176	4	116.8647	116.8647	PROPN
eurjchem-2602	176	5	h11	h11	PROPN
eurjchem-2602	176	6	-	-	PUNCT
eurjchem-2602	176	7	ow1h12	ow1h12	PROPN
eurjchem-2602	176	8	117(2	117(2	NUM
eurjchem-2602	176	9	)	)	PUNCT
eurjchem-2602	176	10	105.2016	105.2016	NUM
eurjchem-2602	176	11	104.6342	104.6342	NUM
eurjchem-2602	176	12	(	(	PUNCT
eurjchem-2602	176	13	a	a	NOUN
eurjchem-2602	176	14	)	)	PUNCT
eurjchem-2602	176	15	(	(	PUNCT
eurjchem-2602	176	16	b	b	X
eurjchem-2602	176	17	)	)	PUNCT
eurjchem-2602	176	18	(	(	PUNCT
eurjchem-2602	176	19	c	c	X
eurjchem-2602	176	20	)	)	PUNCT
eurjchem-2602	176	21	figure	figure	NOUN
eurjchem-2602	176	22	6	6	NUM
eurjchem-2602	176	23	.	.	PUNCT
eurjchem-2602	176	24	energy	energy	NOUN
eurjchem-2602	176	25	-	-	PUNCT
eurjchem-2602	176	26	framework	framework	NOUN
eurjchem-2602	176	27	diagrams	diagram	NOUN
eurjchem-2602	176	28	for	for	ADP
eurjchem-2602	176	29	(	(	PUNCT
eurjchem-2602	176	30	a	a	DET
eurjchem-2602	176	31	)	)	PUNCT
eurjchem-2602	176	32	eelec	eelec	NOUN
eurjchem-2602	176	33	,	,	PUNCT
eurjchem-2602	176	34	(	(	PUNCT
eurjchem-2602	176	35	b	b	X
eurjchem-2602	176	36	)	)	PUNCT
eurjchem-2602	176	37	edisp	edisp	NOUN
eurjchem-2602	176	38	.	.	PUNCT
eurjchem-2602	177	1	and	and	CCONJ
eurjchem-2602	177	2	(	(	PUNCT
eurjchem-2602	177	3	c	c	NOUN
eurjchem-2602	177	4	)	)	PUNCT
eurjchem-2602	177	5	etot	etot	NOUN
eurjchem-2602	177	6	.	.	PUNCT
eurjchem-2602	177	7	are	be	AUX
eurjchem-2602	177	8	shown	show	VERB
eurjchem-2602	177	9	as	as	ADP
eurjchem-2602	177	10	red	red	ADJ
eurjchem-2602	177	11	,	,	PUNCT
eurjchem-2602	177	12	green	green	ADJ
eurjchem-2602	177	13	and	and	CCONJ
eurjchem-2602	177	14	blue	blue	ADJ
eurjchem-2602	177	15	cylinders	cylinder	NOUN
eurjchem-2602	177	16	respectively	respectively	ADV
eurjchem-2602	177	17	.	.	PUNCT
eurjchem-2602	178	1	all	all	DET
eurjchem-2602	178	2	diagrams	diagram	NOUN
eurjchem-2602	178	3	use	use	VERB
eurjchem-2602	178	4	the	the	DET
eurjchem-2602	178	5	same	same	ADJ
eurjchem-2602	178	6	cylinder	cylinder	NOUN
eurjchem-2602	178	7	scale	scale	NOUN
eurjchem-2602	178	8	of	of	ADP
eurjchem-2602	178	9	100	100	NUM
eurjchem-2602	178	10	for	for	ADP
eurjchem-2602	178	11	energies	energy	NOUN
eurjchem-2602	178	12	.	.	PUNCT
eurjchem-2602	179	1	all	all	DET
eurjchem-2602	179	2	energy	energy	NOUN
eurjchem-2602	179	3	frameworks	framework	NOUN
eurjchem-2602	179	4	as	as	SCONJ
eurjchem-2602	179	5	viewed	view	VERB
eurjchem-2602	179	6	along	along	ADP
eurjchem-2602	179	7	the	the	DET
eurjchem-2602	179	8	c	c	NOUN
eurjchem-2602	179	9	axes	axis	NOUN
eurjchem-2602	179	10	.	.	PUNCT
eurjchem-2602	180	1	as	as	SCONJ
eurjchem-2602	180	2	shown	show	VERB
eurjchem-2602	180	3	in	in	ADP
eurjchem-2602	180	4	table	table	NOUN
eurjchem-2602	180	5	6	6	NUM
eurjchem-2602	180	6	,	,	PUNCT
eurjchem-2602	180	7	the	the	DET
eurjchem-2602	180	8	data	datum	NOUN
eurjchem-2602	180	9	show	show	VERB
eurjchem-2602	180	10	that	that	SCONJ
eurjchem-2602	180	11	all	all	DET
eurjchem-2602	180	12	optimized	optimize	VERB
eurjchem-2602	180	13	bond	bond	NOUN
eurjchem-2602	180	14	lengths	length	NOUN
eurjchem-2602	180	15	and	and	CCONJ
eurjchem-2602	180	16	bond	bond	NOUN
eurjchem-2602	180	17	angles	angle	NOUN
eurjchem-2602	180	18	were	be	AUX
eurjchem-2602	180	19	slightly	slightly	ADV
eurjchem-2602	180	20	larger	large	ADJ
eurjchem-2602	180	21	than	than	ADP
eurjchem-2602	180	22	the	the	DET
eurjchem-2602	180	23	values	value	NOUN
eurjchem-2602	180	24	obtained	obtain	VERB
eurjchem-2602	180	25	by	by	ADP
eurjchem-2602	180	26	the	the	DET
eurjchem-2602	180	27	experimental	experimental	ADJ
eurjchem-2602	180	28	data	datum	NOUN
eurjchem-2602	180	29	from	from	ADP
eurjchem-2602	180	30	x	x	NOUN
eurjchem-2602	180	31	-	-	NOUN
eurjchem-2602	180	32	ray	ray	NOUN
eurjchem-2602	180	33	because	because	SCONJ
eurjchem-2602	180	34	the	the	DET
eurjchem-2602	180	35	theoretical	theoretical	ADJ
eurjchem-2602	180	36	computational	computational	ADJ
eurjchem-2602	180	37	theoretical	theoretical	ADJ
eurjchem-2602	180	38	data	datum	NOUN
eurjchem-2602	180	39	related	relate	VERB
eurjchem-2602	180	40	to	to	ADP
eurjchem-2602	180	41	the	the	DET
eurjchem-2602	180	42	isolated	isolated	ADJ
eurjchem-2602	180	43	molecule	molecule	NOUN
eurjchem-2602	180	44	in	in	ADP
eurjchem-2602	180	45	the	the	DET
eurjchem-2602	180	46	gas	gas	NOUN
eurjchem-2602	180	47	phase	phase	NOUN
eurjchem-2602	180	48	,	,	PUNCT
eurjchem-2602	180	49	while	while	SCONJ
eurjchem-2602	180	50	the	the	DET
eurjchem-2602	180	51	experimental	experimental	ADJ
eurjchem-2602	180	52	data	datum	NOUN
eurjchem-2602	180	53	were	be	AUX
eurjchem-2602	180	54	obtained	obtain	VERB
eurjchem-2602	180	55	in	in	ADP
eurjchem-2602	180	56	the	the	DET
eurjchem-2602	180	57	solid	solid	ADJ
eurjchem-2602	180	58	phase	phase	NOUN
eurjchem-2602	180	59	.	.	PUNCT
eurjchem-2602	181	1	the	the	DET
eurjchem-2602	181	2	highest	high	ADJ
eurjchem-2602	181	3	difference	difference	NOUN
eurjchem-2602	181	4	in	in	ADP
eurjchem-2602	181	5	bond	bond	NOUN
eurjchem-2602	181	6	length	length	NOUN
eurjchem-2602	181	7	is	be	AUX
eurjchem-2602	181	8	0.132	0.132	NUM
eurjchem-2602	181	9	å	å	X
eurjchem-2602	181	10	(	(	PUNCT
eurjchem-2602	181	11	dbz	dbz	PROPN
eurjchem-2602	181	12	)	)	PUNCT
eurjchem-2602	181	13	for	for	ADP
eurjchem-2602	181	14	n1	n1	NOUN
eurjchem-2602	181	15	-	-	PUNCT
eurjchem-2602	181	16	c1	c1	NOUN
eurjchem-2602	181	17	,	,	PUNCT
eurjchem-2602	181	18	0.0784	0.0784	NUM
eurjchem-2602	181	19	å	å	X
eurjchem-2602	181	20	(	(	PUNCT
eurjchem-2602	181	21	dbzw	dbzw	PROPN
eurjchem-2602	181	22	)	)	PUNCT
eurjchem-2602	181	23	for	for	ADP
eurjchem-2602	181	24	n2c1	n2c1	NOUN
eurjchem-2602	181	25	,	,	PUNCT
eurjchem-2602	181	26	0.0253	0.0253	NUM
eurjchem-2602	181	27	å	å	PROPN
eurjchem-2602	181	28	(	(	PUNCT
eurjchem-2602	181	29	dbzi	dbzi	NOUN
eurjchem-2602	181	30	)	)	PUNCT
eurjchem-2602	181	31	and	and	CCONJ
eurjchem-2602	181	32	0.0227	0.0227	NUM
eurjchem-2602	181	33	å	å	X
eurjchem-2602	181	34	(	(	PUNCT
eurjchem-2602	181	35	dbziw	dbziw	ADJ
eurjchem-2602	181	36	)	)	PUNCT
eurjchem-2602	181	37	for	for	ADP
eurjchem-2602	181	38	the	the	DET
eurjchem-2602	181	39	c6	c6	PROPN
eurjchem-2602	181	40	-	-	PUNCT
eurjchem-2602	181	41	c7	c7	PROPN
eurjchem-2602	181	42	.	.	PUNCT
eurjchem-2602	182	1	the	the	DET
eurjchem-2602	182	2	largest	large	ADJ
eurjchem-2602	182	3	deviation	deviation	NOUN
eurjchem-2602	182	4	of	of	ADP
eurjchem-2602	182	5	the	the	DET
eurjchem-2602	182	6	bond	bond	NOUN
eurjchem-2602	182	7	angle	angle	NOUN
eurjchem-2602	182	8	occurred	occur	VERB
eurjchem-2602	182	9	at	at	ADP
eurjchem-2602	182	10	the	the	DET
eurjchem-2602	182	11	c1	c1	NOUN
eurjchem-2602	182	12	-	-	PUNCT
eurjchem-2602	182	13	n1	n1	NOUN
eurjchem-2602	182	14	-	-	PUNCT
eurjchem-2602	182	15	c5	c5	PROPN
eurjchem-2602	182	16	angle	angle	NOUN
eurjchem-2602	182	17	(	(	PUNCT
eurjchem-2602	182	18	5.9925	5.9925	NUM
eurjchem-2602	182	19	°	°	NUM
eurjchem-2602	182	20	)	)	PUNCT
eurjchem-2602	182	21	in	in	ADP
eurjchem-2602	182	22	dbz	dbz	PROPN
eurjchem-2602	182	23	,	,	PUNCT
eurjchem-2602	182	24	at	at	ADP
eurjchem-2602	182	25	the	the	DET
eurjchem-2602	182	26	n1	n1	NOUN
eurjchem-2602	182	27	-	-	PUNCT
eurjchem-2602	182	28	c1	c1	NOUN
eurjchem-2602	182	29	-	-	PUNCT
eurjchem-2602	182	30	n2	n2	NOUN
eurjchem-2602	182	31	angle	angle	NOUN
eurjchem-2602	182	32	(	(	PUNCT
eurjchem-2602	182	33	5.2066	5.2066	NUM
eurjchem-2602	182	34	°	°	NUM
eurjchem-2602	182	35	)	)	PUNCT
eurjchem-2602	182	36	in	in	ADP
eurjchem-2602	182	37	dbzw	dbzw	PROPN
eurjchem-2602	182	38	,	,	PUNCT
eurjchem-2602	182	39	at	at	ADP
eurjchem-2602	182	40	the	the	DET
eurjchem-2602	182	41	c4	c4	NOUN
eurjchem-2602	182	42	-	-	PUNCT
eurjchem-2602	182	43	n2	n2	ADJ
eurjchem-2602	182	44	-	-	PUNCT
eurjchem-2602	182	45	c3	c3	NOUN
eurjchem-2602	182	46	angle	angle	NOUN
eurjchem-2602	182	47	(	(	PUNCT
eurjchem-2602	182	48	6.1167	6.1167	NUM
eurjchem-2602	182	49	°	°	NOUN
eurjchem-2602	182	50	)	)	PUNCT
eurjchem-2602	182	51	in	in	ADP
eurjchem-2602	182	52	dbzi	dbzi	NOUN
eurjchem-2602	182	53	,	,	PUNCT
eurjchem-2602	182	54	and	and	CCONJ
eurjchem-2602	182	55	at	at	ADP
eurjchem-2602	182	56	the	the	DET
eurjchem-2602	182	57	c1n2	c1n2	PROPN
eurjchem-2602	182	58	-	-	ADJ
eurjchem-2602	182	59	c3	c3	ADJ
eurjchem-2602	182	60	angle	angle	NOUN
eurjchem-2602	182	61	(	(	PUNCT
eurjchem-2602	182	62	1.7834	1.7834	NUM
eurjchem-2602	182	63	°	°	NUM
eurjchem-2602	182	64	)	)	PUNCT
eurjchem-2602	182	65	in	in	ADP
eurjchem-2602	182	66	dbziw	dbziw	ADV
eurjchem-2602	182	67	.	.	PUNCT
eurjchem-2602	183	1	14	14	NUM
eurjchem-2602	183	2	gandhi	gandhi	PROPN
eurjchem-2602	183	3	et	et	PROPN
eurjchem-2602	183	4	al	al	PROPN
eurjchem-2602	183	5	.	.	PUNCT
eurjchem-2602	183	6	/	/	SYM
eurjchem-2602	183	7	european	european	PROPN
eurjchem-2602	183	8	journal	journal	PROPN
eurjchem-2602	183	9	of	of	ADP
eurjchem-2602	183	10	chemistry	chemistry	NOUN
eurjchem-2602	183	11	16	16	NUM
eurjchem-2602	183	12	(	(	PUNCT
eurjchem-2602	183	13	1	1	NUM
eurjchem-2602	183	14	)	)	PUNCT
eurjchem-2602	183	15	(	(	PUNCT
eurjchem-2602	183	16	2025	2025	NUM
eurjchem-2602	183	17	)	)	PUNCT
eurjchem-2602	183	18	7	7	NUM
eurjchem-2602	183	19	-	-	SYM
eurjchem-2602	183	20	19	19	NUM
eurjchem-2602	183	21	2025	2025	NUM
eurjchem-2602	183	22	–	–	PUNCT
eurjchem-2602	183	23	european	european	ADJ
eurjchem-2602	183	24	journal	journal	NOUN
eurjchem-2602	183	25	of	of	ADP
eurjchem-2602	183	26	chemistry	chemistry	NOUN
eurjchem-2602	183	27	–	–	PUNCT
eurjchem-2602	183	28	cc	cc	NOUN
eurjchem-2602	183	29	by	by	ADP
eurjchem-2602	183	30	nc	nc	PROPN
eurjchem-2602	183	31	–	–	PUNCT
eurjchem-2602	183	32	doi	doi	PROPN
eurjchem-2602	183	33	:	:	PUNCT
eurjchem-2602	183	34	10.5155	10.5155	NUM
eurjchem-2602	183	35	/	/	SYM
eurjchem-2602	183	36	eurjchem.16.1.7	eurjchem.16.1.7	PROPN
eurjchem-2602	183	37	-	-	PUNCT
eurjchem-2602	183	38	19.2602	19.2602	NUM
eurjchem-2602	183	39	table	table	NOUN
eurjchem-2602	183	40	7	7	NUM
eurjchem-2602	183	41	.	.	PUNCT
eurjchem-2602	183	42	correlation	correlation	NOUN
eurjchem-2602	183	43	between	between	ADP
eurjchem-2602	183	44	the	the	DET
eurjchem-2602	183	45	experimental	experimental	ADJ
eurjchem-2602	183	46	and	and	CCONJ
eurjchem-2602	183	47	theoretical	theoretical	ADJ
eurjchem-2602	183	48	bond	bond	NOUN
eurjchem-2602	183	49	lengths	length	NOUN
eurjchem-2602	183	50	and	and	CCONJ
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eurjchem-2602	183	54	a	a	PRON
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eurjchem-2602	183	57	,	,	PUNCT
eurjchem-2602	183	58	(	(	PUNCT
eurjchem-2602	183	59	b	b	X
eurjchem-2602	183	60	)	)	PUNCT
eurjchem-2602	183	61	dbzw	dbzw	NOUN
eurjchem-2602	183	62	,	,	PUNCT
eurjchem-2602	183	63	(	(	PUNCT
eurjchem-2602	183	64	c	c	NOUN
eurjchem-2602	183	65	)	)	PUNCT
eurjchem-2602	183	66	dbzi	dbzi	NOUN
eurjchem-2602	183	67	,	,	PUNCT
eurjchem-2602	183	68	and	and	CCONJ
eurjchem-2602	183	69	(	(	PUNCT
eurjchem-2602	183	70	d	d	X
eurjchem-2602	183	71	)	)	PUNCT
eurjchem-2602	183	72	dbziw	dbziw	ADV
eurjchem-2602	183	73	.	.	PUNCT
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eurjchem-2602	184	2	dbz	dbz	PROPN
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eurjchem-2602	184	4	-	-	NOUN
eurjchem-2602	184	5	311++g(d	311++g(d	PROPN
eurjchem-2602	184	6	,	,	PUNCT
eurjchem-2602	184	7	p	p	NOUN
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eurjchem-2602	184	9	dbzw	dbzw	PROPN
eurjchem-2602	184	10	b3lyp/6	b3lyp/6	PROPN
eurjchem-2602	184	11	-	-	NOUN
eurjchem-2602	184	12	311++g(d	311++g(d	PROPN
eurjchem-2602	184	13	,	,	PUNCT
eurjchem-2602	184	14	p	p	NOUN
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eurjchem-2602	184	16	dbzi	dbzi	NOUN
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eurjchem-2602	184	20	-	-	PUNCT
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eurjchem-2602	184	23	b3lyp	b3lyp	PROPN
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eurjchem-2602	184	26	-	-	PUNCT
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eurjchem-2602	184	35	angles	angle	VERB
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eurjchem-2602	184	37	0.9993	0.9993	NUM
eurjchem-2602	184	38	0.9998	0.9998	NUM
eurjchem-2602	184	39	0.9994	0.9994	NUM
eurjchem-2602	184	40	table	table	NOUN
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eurjchem-2602	184	42	.	.	PUNCT
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eurjchem-2602	185	3	(	(	PUNCT
eurjchem-2602	185	4	e	e	NOUN
eurjchem-2602	185	5	)	)	PUNCT
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eurjchem-2602	185	19	.	.	PUNCT
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eurjchem-2602	186	2	dbz	dbz	PROPN
eurjchem-2602	186	3	dbzw	dbzw	PROPN
eurjchem-2602	186	4	dbzi	dbzi	VERB
eurjchem-2602	186	5	dbziw	dbziw	ADV
eurjchem-2602	187	1	i	i	PRON
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eurjchem-2602	187	4	n1	n1	PROPN
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eurjchem-2602	187	9	n2	n2	ADJ
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eurjchem-2602	187	12	-0.0259	-0.0259	PROPN
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eurjchem-2602	187	14	c1	c1	PROPN
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eurjchem-2602	189	2	h1	h1	VERB
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eurjchem-2602	189	7	c2	c2	PROPN
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eurjchem-2602	190	8	h22	h22	NOUN
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eurjchem-2602	190	13	h23	h23	NOUN
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eurjchem-2602	190	28	h32	h32	VERB
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eurjchem-2602	191	7	c4	c4	NOUN
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eurjchem-2602	191	12	c5	c5	PROPN
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eurjchem-2602	193	6	c8	c8	PROPN
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eurjchem-2602	197	11	(	(	PUNCT
eurjchem-2602	197	12	b	b	NOUN
eurjchem-2602	197	13	)	)	PUNCT
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eurjchem-2602	197	15	(	(	PUNCT
eurjchem-2602	197	16	c	c	NOUN
eurjchem-2602	197	17	)	)	PUNCT
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eurjchem-2602	197	19	(	(	PUNCT
eurjchem-2602	197	20	d	d	NOUN
eurjchem-2602	197	21	)	)	PUNCT
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eurjchem-2602	197	24	7	7	NUM
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eurjchem-2602	197	29	(	(	PUNCT
eurjchem-2602	197	30	a	a	PRON
eurjchem-2602	197	31	)	)	PUNCT
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eurjchem-2602	197	34	(	(	PUNCT
eurjchem-2602	197	35	b	b	X
eurjchem-2602	197	36	)	)	PUNCT
eurjchem-2602	197	37	dbzw	dbzw	NOUN
eurjchem-2602	197	38	,	,	PUNCT
eurjchem-2602	197	39	(	(	PUNCT
eurjchem-2602	197	40	c	c	NOUN
eurjchem-2602	197	41	)	)	PUNCT
eurjchem-2602	197	42	dbzi	dbzi	NOUN
eurjchem-2602	197	43	and	and	CCONJ
eurjchem-2602	197	44	(	(	PUNCT
eurjchem-2602	197	45	d	d	NOUN
eurjchem-2602	197	46	)	)	PUNCT
eurjchem-2602	197	47	dbziw	dbziw	ADV
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eurjchem-2602	198	10	(	(	PUNCT
eurjchem-2602	198	11	rmse	rmse	NOUN
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eurjchem-2602	198	15	,	,	PUNCT
eurjchem-2602	198	16	dbzw	dbzw	PROPN
eurjchem-2602	198	17	,	,	PUNCT
eurjchem-2602	198	18	dbzi	dbzi	PROPN
eurjchem-2602	198	19	,	,	PUNCT
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eurjchem-2602	199	8	,	,	PUNCT
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eurjchem-2602	199	10	and	and	CCONJ
eurjchem-2602	199	11	dbzwi	dbzwi	NOUN
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eurjchem-2602	199	19	,	,	PUNCT
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eurjchem-2602	199	21	,	,	PUNCT
eurjchem-2602	199	22	1.7600	1.7600	NUM
eurjchem-2602	199	23	,	,	PUNCT
eurjchem-2602	199	24	and	and	CCONJ
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eurjchem-2602	199	26	°	°	NOUN
eurjchem-2602	199	27	,	,	PUNCT
eurjchem-2602	199	28	respectively	respectively	ADV
eurjchem-2602	199	29	.	.	PUNCT
eurjchem-2602	200	1	this	this	DET
eurjchem-2602	200	2	result	result	NOUN
eurjchem-2602	200	3	shows	show	VERB
eurjchem-2602	200	4	that	that	SCONJ
eurjchem-2602	200	5	the	the	DET
eurjchem-2602	200	6	theoretically	theoretically	ADV
eurjchem-2602	200	7	calculated	calculate	VERB
eurjchem-2602	200	8	bond	bond	NOUN
eurjchem-2602	200	9	lengths	length	NOUN
eurjchem-2602	200	10	and	and	CCONJ
eurjchem-2602	200	11	angles	angle	NOUN
eurjchem-2602	200	12	using	use	VERB
eurjchem-2602	200	13	the	the	DET
eurjchem-2602	200	14	b3lyp/6	b3lyp/6	NOUN
eurjchem-2602	200	15	-	-	NOUN
eurjchem-2602	200	16	311++g(d	311++g(d	PROPN
eurjchem-2602	200	17	,	,	PUNCT
eurjchem-2602	200	18	p	p	NOUN
eurjchem-2602	200	19	)	)	PUNCT
eurjchem-2602	200	20	level	level	NOUN
eurjchem-2602	200	21	and	and	CCONJ
eurjchem-2602	200	22	b3lyp	b3lyp	SYM
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eurjchem-2602	200	24	def2tzvp	def2tzvp	PROPN
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eurjchem-2602	200	28	correlations	correlation	NOUN
eurjchem-2602	200	29	with	with	ADP
eurjchem-2602	200	30	the	the	DET
eurjchem-2602	200	31	experimental	experimental	ADJ
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eurjchem-2602	200	33	(	(	PUNCT
eurjchem-2602	200	34	table	table	NOUN
eurjchem-2602	200	35	7	7	NUM
eurjchem-2602	200	36	)	)	PUNCT
eurjchem-2602	200	37	.	.	PUNCT
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eurjchem-2602	201	11	(	(	PUNCT
eurjchem-2602	201	12	1	1	NUM
eurjchem-2602	201	13	)	)	PUNCT
eurjchem-2602	201	14	(	(	PUNCT
eurjchem-2602	201	15	2025	2025	NUM
eurjchem-2602	201	16	)	)	PUNCT
eurjchem-2602	201	17	7	7	NUM
eurjchem-2602	201	18	-	-	SYM
eurjchem-2602	201	19	19	19	NUM
eurjchem-2602	201	20	15	15	NUM
eurjchem-2602	201	21	2025	2025	NUM
eurjchem-2602	201	22	–	–	PUNCT
eurjchem-2602	201	23	european	european	ADJ
eurjchem-2602	201	24	journal	journal	NOUN
eurjchem-2602	201	25	of	of	ADP
eurjchem-2602	201	26	chemistry	chemistry	NOUN
eurjchem-2602	201	27	–	–	PUNCT
eurjchem-2602	201	28	cc	cc	NOUN
eurjchem-2602	201	29	by	by	ADP
eurjchem-2602	201	30	nc	nc	PROPN
eurjchem-2602	201	31	–	–	PUNCT
eurjchem-2602	201	32	doi	doi	PROPN
eurjchem-2602	201	33	:	:	PUNCT
eurjchem-2602	201	34	10.5155	10.5155	NUM
eurjchem-2602	201	35	/	/	SYM
eurjchem-2602	201	36	eurjchem.16.1.7	eurjchem.16.1.7	PROPN
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eurjchem-2602	201	38	19.2602	19.2602	NUM
eurjchem-2602	201	39	table	table	NOUN
eurjchem-2602	201	40	9	9	NUM
eurjchem-2602	201	41	.	.	PUNCT
eurjchem-2602	201	42	homo	homo	NOUN
eurjchem-2602	201	43	and	and	CCONJ
eurjchem-2602	201	44	lumo	lumo	NOUN
eurjchem-2602	201	45	energies	energy	NOUN
eurjchem-2602	201	46	and	and	CCONJ
eurjchem-2602	201	47	global	global	ADJ
eurjchem-2602	201	48	reactivity	reactivity	NOUN
eurjchem-2602	201	49	descriptors	descriptor	NOUN
eurjchem-2602	201	50	calculated	calculate	VERB
eurjchem-2602	201	51	for	for	ADP
eurjchem-2602	201	52	dbz	dbz	PROPN
eurjchem-2602	201	53	,	,	PUNCT
eurjchem-2602	201	54	dbzw	dbzw	PROPN
eurjchem-2602	201	55	,	,	PUNCT
eurjchem-2602	201	56	dbzi	dbzi	NOUN
eurjchem-2602	201	57	and	and	CCONJ
eurjchem-2602	201	58	dbziw	dbziw	ADV
eurjchem-2602	201	59	.	.	PUNCT
eurjchem-2602	202	1	parameters	parameter	NOUN
eurjchem-2602	202	2	dbz	dbz	PROPN
eurjchem-2602	202	3	dbzw	dbzw	PROPN
eurjchem-2602	202	4	dbzi	dbzi	PROPN
eurjchem-2602	202	5	dbzwi	dbzwi	PROPN
eurjchem-2602	202	6	homo	homo	NOUN
eurjchem-2602	202	7	(	(	PUNCT
eurjchem-2602	202	8	ev	ev	NOUN
eurjchem-2602	202	9	)	)	PUNCT
eurjchem-2602	202	10	-4.947	-4.947	PROPN
eurjchem-2602	202	11	-4.714	-4.714	PROPN
eurjchem-2602	202	12	-5.113	-5.113	NUM
eurjchem-2602	202	13	-5.090	-5.090	PROPN
eurjchem-2602	202	14	lumo	lumo	NOUN
eurjchem-2602	202	15	(	(	PUNCT
eurjchem-2602	202	16	ev	ev	INTJ
eurjchem-2602	202	17	)	)	PUNCT
eurjchem-2602	202	18	-0.409	-0.409	NUM
eurjchem-2602	202	19	-0.783	-0.783	PROPN
eurjchem-2602	202	20	-1.728	-1.728	PROPN
eurjchem-2602	202	21	-1.839	-1.839	PUNCT
eurjchem-2602	202	22	energy	energy	NOUN
eurjchem-2602	202	23	gap	gap	NOUN
eurjchem-2602	202	24	(	(	PUNCT
eurjchem-2602	202	25	ev	ev	INTJ
eurjchem-2602	202	26	)	)	PUNCT
eurjchem-2602	202	27	4.537	4.537	NUM
eurjchem-2602	202	28	3.930	3.930	NUM
eurjchem-2602	202	29	3.385	3.385	NUM
eurjchem-2602	202	30	3.251	3.251	NUM
eurjchem-2602	202	31	ionization	ionization	NOUN
eurjchem-2602	202	32	potential	potential	NOUN
eurjchem-2602	202	33	4.947	4.947	NUM
eurjchem-2602	202	34	4.714	4.714	NUM
eurjchem-2602	202	35	5.113	5.113	NUM
eurjchem-2602	202	36	5.090	5.090	NUM
eurjchem-2602	202	37	electron	electron	NOUN
eurjchem-2602	202	38	affinity	affinity	NOUN
eurjchem-2602	202	39	0.409	0.409	NUM
eurjchem-2602	202	40	0.783	0.783	NUM
eurjchem-2602	202	41	1.728	1.728	NUM
eurjchem-2602	202	42	1.839	1.839	NUM
eurjchem-2602	202	43	chemical	chemical	NOUN
eurjchem-2602	202	44	potential	potential	NOUN
eurjchem-2602	202	45	µ	µ	X
eurjchem-2602	202	46	-2.678	-2.678	PUNCT
eurjchem-2602	202	47	-2.749	-2.749	NOUN
eurjchem-2602	202	48	-3.420	-3.420	NOUN
eurjchem-2602	202	49	-3.465	-3.465	NOUN
eurjchem-2602	202	50	electron	electron	NOUN
eurjchem-2602	202	51	negativity	negativity	NOUN
eurjchem-2602	202	52	χ	χ	ADP
eurjchem-2602	202	53	2.678	2.678	NUM
eurjchem-2602	202	54	2.749	2.749	NUM
eurjchem-2602	202	55	3.420	3.420	NUM
eurjchem-2602	202	56	3.465	3.465	NUM
eurjchem-2602	202	57	hardness	hardness	PROPN
eurjchem-2602	202	58	η	η	PROPN
eurjchem-2602	202	59	(	(	PUNCT
eurjchem-2602	202	60	ev	ev	PROPN
eurjchem-2602	202	61	)	)	PUNCT
eurjchem-2602	202	62	2.268	2.268	NUM
eurjchem-2602	202	63	1.965	1.965	NUM
eurjchem-2602	202	64	1.693	1.693	NUM
eurjchem-2602	202	65	1.625	1.625	NUM
eurjchem-2602	202	66	softness	softness	NOUN
eurjchem-2602	202	67	(	(	PUNCT
eurjchem-2602	202	68	s	s	NOUN
eurjchem-2602	202	69	)	)	PUNCT
eurjchem-2602	202	70	0.220	0.220	NUM
eurjchem-2602	202	71	0.254	0.254	NUM
eurjchem-2602	202	72	0.295	0.295	NUM
eurjchem-2602	202	73	0.308	0.308	NUM
eurjchem-2602	202	74	electrophilicity	electrophilicity	NOUN
eurjchem-2602	202	75	index	index	NOUN
eurjchem-2602	202	76	(	(	PUNCT
eurjchem-2602	202	77	ω	ω	NOUN
eurjchem-2602	202	78	)	)	PUNCT
eurjchem-2602	202	79	1.581	1.581	NUM
eurjchem-2602	202	80	1.923	1.923	NUM
eurjchem-2602	202	81	3.456	3.456	NUM
eurjchem-2602	202	82	3.694	3.694	NUM
eurjchem-2602	202	83	total	total	ADJ
eurjchem-2602	202	84	energy	energy	NOUN
eurjchem-2602	202	85	(	(	PUNCT
eurjchem-2602	202	86	ev	ev	NOUN
eurjchem-2602	202	87	)	)	PUNCT
eurjchem-2602	202	88	-12511.5	-12511.5	PROPN
eurjchem-2602	202	89	-14574.8	-14574.8	PUNCT
eurjchem-2602	202	90	-20601.1	-20601.1	PUNCT
eurjchem-2602	202	91	-22682.2	-22682.2	ADJ
eurjchem-2602	202	92	dipole	dipole	NOUN
eurjchem-2602	202	93	moment	moment	NOUN
eurjchem-2602	202	94	(	(	PUNCT
eurjchem-2602	202	95	debye	debye	ADJ
eurjchem-2602	202	96	)	)	PUNCT
eurjchem-2602	202	97	2.316	2.316	NUM
eurjchem-2602	202	98	2.331	2.331	NUM
eurjchem-2602	202	99	9.156	9.156	NUM
eurjchem-2602	202	100	9.342	9.342	NUM
eurjchem-2602	202	101	figure	figure	NOUN
eurjchem-2602	202	102	8	8	NUM
eurjchem-2602	202	103	.	.	PUNCT
eurjchem-2602	202	104	highest	high	ADJ
eurjchem-2602	202	105	occupied	occupy	VERB
eurjchem-2602	202	106	molecular	molecular	ADJ
eurjchem-2602	202	107	orbital	orbital	ADJ
eurjchem-2602	202	108	(	(	PUNCT
eurjchem-2602	202	109	homo	homo	NOUN
eurjchem-2602	202	110	)	)	PUNCT
eurjchem-2602	202	111	and	and	CCONJ
eurjchem-2602	202	112	lowest	low	ADJ
eurjchem-2602	202	113	unoccupied	unoccupied	ADJ
eurjchem-2602	202	114	molecular	molecular	ADJ
eurjchem-2602	202	115	orbital	orbital	ADJ
eurjchem-2602	202	116	(	(	PUNCT
eurjchem-2602	202	117	lumo	lumo	NOUN
eurjchem-2602	202	118	)	)	PUNCT
eurjchem-2602	202	119	of	of	ADP
eurjchem-2602	202	120	(	(	PUNCT
eurjchem-2602	202	121	a	a	PRON
eurjchem-2602	202	122	)	)	PUNCT
eurjchem-2602	202	123	dbz	dbz	PROPN
eurjchem-2602	202	124	,	,	PUNCT
eurjchem-2602	202	125	(	(	PUNCT
eurjchem-2602	202	126	b	b	X
eurjchem-2602	202	127	)	)	PUNCT
eurjchem-2602	202	128	dbzw	dbzw	NOUN
eurjchem-2602	202	129	,	,	PUNCT
eurjchem-2602	202	130	(	(	PUNCT
eurjchem-2602	202	131	c	c	NOUN
eurjchem-2602	202	132	)	)	PUNCT
eurjchem-2602	202	133	dbzi	dbzi	NOUN
eurjchem-2602	202	134	and	and	CCONJ
eurjchem-2602	202	135	(	(	PUNCT
eurjchem-2602	202	136	d	d	NOUN
eurjchem-2602	202	137	)	)	PUNCT
eurjchem-2602	202	138	dbziw	dbziw	ADV
eurjchem-2602	202	139	3.3.2	3.3.2	NUM
eurjchem-2602	202	140	.	.	PUNCT
eurjchem-2602	203	1	mulliken	mulliken	NOUN
eurjchem-2602	203	2	charge	charge	NOUN
eurjchem-2602	203	3	distributions	distribution	NOUN
eurjchem-2602	203	4	the	the	DET
eurjchem-2602	203	5	mulliken	mulliken	ADJ
eurjchem-2602	203	6	population	population	NOUN
eurjchem-2602	203	7	analysis	analysis	NOUN
eurjchem-2602	203	8	was	be	AUX
eurjchem-2602	203	9	used	use	VERB
eurjchem-2602	203	10	to	to	PART
eurjchem-2602	203	11	determine	determine	VERB
eurjchem-2602	203	12	the	the	DET
eurjchem-2602	203	13	atomic	atomic	ADJ
eurjchem-2602	203	14	charge	charge	NOUN
eurjchem-2602	203	15	values	value	NOUN
eurjchem-2602	203	16	of	of	ADP
eurjchem-2602	203	17	the	the	DET
eurjchem-2602	203	18	molecules	molecule	NOUN
eurjchem-2602	203	19	(	(	PUNCT
eurjchem-2602	203	20	dbz	dbz	PROPN
eurjchem-2602	203	21	,	,	PUNCT
eurjchem-2602	203	22	dbzw	dbzw	PROPN
eurjchem-2602	203	23	,	,	PUNCT
eurjchem-2602	203	24	dbzi	dbzi	NOUN
eurjchem-2602	203	25	and	and	CCONJ
eurjchem-2602	203	26	dbzwi	dbzwi	PROPN
eurjchem-2602	203	27	)	)	PUNCT
eurjchem-2602	203	28	,	,	PUNCT
eurjchem-2602	203	29	which	which	PRON
eurjchem-2602	203	30	are	be	AUX
eurjchem-2602	203	31	summarised	summarise	VERB
eurjchem-2602	203	32	in	in	ADP
eurjchem-2602	203	33	table	table	NOUN
eurjchem-2602	203	34	8	8	NUM
eurjchem-2602	203	35	.	.	PUNCT
eurjchem-2602	204	1	the	the	DET
eurjchem-2602	204	2	charge	charge	NOUN
eurjchem-2602	204	3	on	on	ADP
eurjchem-2602	204	4	hydrogen	hydrogen	NOUN
eurjchem-2602	204	5	atoms	atom	NOUN
eurjchem-2602	204	6	is	be	AUX
eurjchem-2602	204	7	positive	positive	ADJ
eurjchem-2602	204	8	.	.	PUNCT
eurjchem-2602	205	1	it	it	PRON
eurjchem-2602	205	2	should	should	AUX
eurjchem-2602	205	3	be	be	AUX
eurjchem-2602	205	4	noted	note	VERB
eurjchem-2602	205	5	that	that	SCONJ
eurjchem-2602	205	6	the	the	DET
eurjchem-2602	205	7	dbzi	dbzi	NOUN
eurjchem-2602	205	8	and	and	CCONJ
eurjchem-2602	205	9	dbzwi	dbzwi	NOUN
eurjchem-2602	205	10	molecules	molecule	NOUN
eurjchem-2602	205	11	have	have	VERB
eurjchem-2602	205	12	an	an	DET
eurjchem-2602	205	13	iodine	iodine	NOUN
eurjchem-2602	205	14	atom	atom	NOUN
eurjchem-2602	205	15	and	and	CCONJ
eurjchem-2602	205	16	,	,	PUNCT
eurjchem-2602	205	17	compared	compare	VERB
eurjchem-2602	205	18	to	to	ADP
eurjchem-2602	205	19	the	the	DET
eurjchem-2602	205	20	other	other	ADJ
eurjchem-2602	205	21	atoms	atom	NOUN
eurjchem-2602	205	22	in	in	ADP
eurjchem-2602	205	23	the	the	DET
eurjchem-2602	205	24	molecule	molecule	NOUN
eurjchem-2602	205	25	,	,	PUNCT
eurjchem-2602	205	26	have	have	VERB
eurjchem-2602	205	27	the	the	DET
eurjchem-2602	205	28	highest	high	ADJ
eurjchem-2602	205	29	negative	negative	ADJ
eurjchem-2602	205	30	charges	charge	NOUN
eurjchem-2602	205	31	of	of	ADP
eurjchem-2602	205	32	-0.6626	-0.6626	NOUN
eurjchem-2602	205	33	and	and	CCONJ
eurjchem-2602	205	34	-0.8253	-0.8253	ADJ
eurjchem-2602	205	35	,	,	PUNCT
eurjchem-2602	205	36	respectively	respectively	ADV
eurjchem-2602	205	37	.	.	PUNCT
eurjchem-2602	206	1	the	the	DET
eurjchem-2602	206	2	water	water	NOUN
eurjchem-2602	206	3	molecules	molecule	NOUN
eurjchem-2602	206	4	are	be	AUX
eurjchem-2602	206	5	backbone	backbone	ADJ
eurjchem-2602	206	6	in	in	ADP
eurjchem-2602	206	7	the	the	DET
eurjchem-2602	206	8	dbzw	dbzw	NOUN
eurjchem-2602	206	9	and	and	CCONJ
eurjchem-2602	206	10	dbzwi	dbzwi	NOUN
eurjchem-2602	206	11	in	in	ADP
eurjchem-2602	206	12	the	the	DET
eurjchem-2602	206	13	molecule	molecule	NOUN
eurjchem-2602	206	14	and	and	CCONJ
eurjchem-2602	206	15	because	because	SCONJ
eurjchem-2602	206	16	of	of	ADP
eurjchem-2602	206	17	this	this	PRON
eurjchem-2602	206	18	has	have	VERB
eurjchem-2602	206	19	both	both	CCONJ
eurjchem-2602	206	20	dbzw	dbzw	ADJ
eurjchem-2602	206	21	(	(	PUNCT
eurjchem-2602	206	22	-0.5163	-0.5163	NOUN
eurjchem-2602	206	23	)	)	PUNCT
eurjchem-2602	206	24	and	and	CCONJ
eurjchem-2602	206	25	dbziw	dbziw	ADJ
eurjchem-2602	206	26	(	(	PUNCT
eurjchem-2602	206	27	-0.6665	-0.6665	ADJ
eurjchem-2602	206	28	)	)	PUNCT
eurjchem-2602	206	29	oxygen	oxygen	NOUN
eurjchem-2602	206	30	atoms	atom	NOUN
eurjchem-2602	206	31	were	be	AUX
eurjchem-2602	206	32	negatively	negatively	ADV
eurjchem-2602	206	33	charged	charge	VERB
eurjchem-2602	206	34	.	.	PUNCT
eurjchem-2602	207	1	in	in	ADP
eurjchem-2602	207	2	all	all	PRON
eurjchem-2602	207	3	of	of	ADP
eurjchem-2602	207	4	the	the	DET
eurjchem-2602	207	5	benzimidazole	benzimidazole	ADJ
eurjchem-2602	207	6	derivatives	derivative	NOUN
eurjchem-2602	207	7	,	,	PUNCT
eurjchem-2602	207	8	all	all	DET
eurjchem-2602	207	9	nitrogen	nitrogen	NOUN
eurjchem-2602	207	10	atoms	atom	NOUN
eurjchem-2602	207	11	had	have	VERB
eurjchem-2602	207	12	a	a	DET
eurjchem-2602	207	13	negative	negative	ADJ
eurjchem-2602	207	14	charge	charge	NOUN
eurjchem-2602	207	15	,	,	PUNCT
eurjchem-2602	207	16	while	while	SCONJ
eurjchem-2602	207	17	all	all	DET
eurjchem-2602	207	18	hydrogen	hydrogen	NOUN
eurjchem-2602	207	19	atoms	atom	NOUN
eurjchem-2602	207	20	had	have	VERB
eurjchem-2602	207	21	a	a	DET
eurjchem-2602	207	22	positive	positive	ADJ
eurjchem-2602	207	23	charge	charge	NOUN
eurjchem-2602	207	24	.	.	PUNCT
eurjchem-2602	208	1	donor	donor	NOUN
eurjchem-2602	208	2	and	and	CCONJ
eurjchem-2602	208	3	acceptor	acceptor	NOUN
eurjchem-2602	208	4	atoms	atom	NOUN
eurjchem-2602	208	5	are	be	AUX
eurjchem-2602	208	6	signs	sign	NOUN
eurjchem-2602	208	7	that	that	PRON
eurjchem-2602	208	8	intraand	intraand	VERB
eurjchem-2602	208	9	intermolecular	intermolecular	ADJ
eurjchem-2602	208	10	hydrogen	hydrogen	NOUN
eurjchem-2602	208	11	bonds	bond	NOUN
eurjchem-2602	208	12	are	be	AUX
eurjchem-2602	208	13	present	present	ADJ
eurjchem-2602	208	14	in	in	ADP
eurjchem-2602	208	15	the	the	DET
eurjchem-2602	208	16	solid	solid	ADJ
eurjchem-2602	208	17	-	-	PUNCT
eurjchem-2602	208	18	state	state	NOUN
eurjchem-2602	208	19	phase	phase	NOUN
eurjchem-2602	208	20	.	.	PUNCT
eurjchem-2602	209	1	3.3.3	3.3.3	NUM
eurjchem-2602	209	2	.	.	PUNCT
eurjchem-2602	209	3	fmo	fmo	NOUN
eurjchem-2602	209	4	analysis	analysis	NOUN
eurjchem-2602	209	5	in	in	ADP
eurjchem-2602	209	6	order	order	NOUN
eurjchem-2602	209	7	to	to	PART
eurjchem-2602	209	8	understand	understand	VERB
eurjchem-2602	209	9	the	the	DET
eurjchem-2602	209	10	frontier	frontier	NOUN
eurjchem-2602	209	11	effect	effect	NOUN
eurjchem-2602	209	12	of	of	ADP
eurjchem-2602	209	13	water	water	NOUN
eurjchem-2602	209	14	and	and	CCONJ
eurjchem-2602	209	15	iodine	iodine	NOUN
eurjchem-2602	209	16	,	,	PUNCT
eurjchem-2602	209	17	if	if	SCONJ
eurjchem-2602	209	18	present	present	ADJ
eurjchem-2602	209	19	in	in	ADP
eurjchem-2602	209	20	benzimidazole	benzimidazole	ADJ
eurjchem-2602	209	21	derivatives	derivative	NOUN
eurjchem-2602	209	22	,	,	PUNCT
eurjchem-2602	209	23	studies	study	NOUN
eurjchem-2602	209	24	on	on	ADP
eurjchem-2602	209	25	the	the	DET
eurjchem-2602	209	26	highest	high	ADJ
eurjchem-2602	209	27	occupied	occupy	VERB
eurjchem-2602	209	28	molecular	molecular	ADJ
eurjchem-2602	209	29	orbital	orbital	ADJ
eurjchem-2602	209	30	(	(	PUNCT
eurjchem-2602	209	31	homo	homo	NOUN
eurjchem-2602	209	32	)	)	PUNCT
eurjchem-2602	209	33	and	and	CCONJ
eurjchem-2602	209	34	lowest	low	ADJ
eurjchem-2602	209	35	unoccupied	unoccupied	ADJ
eurjchem-2602	209	36	molecular	molecular	ADJ
eurjchem-2602	209	37	orbital	orbital	ADJ
eurjchem-2602	209	38	(	(	PUNCT
eurjchem-2602	209	39	lumo	lumo	NOUN
eurjchem-2602	209	40	)	)	PUNCT
eurjchem-2602	209	41	of	of	ADP
eurjchem-2602	209	42	the	the	DET
eurjchem-2602	209	43	benzimidazole	benzimidazole	ADJ
eurjchem-2602	209	44	derivatives	derivative	NOUN
eurjchem-2602	209	45	(	(	PUNCT
eurjchem-2602	209	46	a	a	PRON
eurjchem-2602	209	47	)	)	PUNCT
eurjchem-2602	209	48	dbz	dbz	PROPN
eurjchem-2602	209	49	,	,	PUNCT
eurjchem-2602	209	50	(	(	PUNCT
eurjchem-2602	209	51	b	b	X
eurjchem-2602	209	52	)	)	PUNCT
eurjchem-2602	209	53	dbzw	dbzw	NOUN
eurjchem-2602	209	54	,	,	PUNCT
eurjchem-2602	209	55	(	(	PUNCT
eurjchem-2602	209	56	c	c	NOUN
eurjchem-2602	209	57	)	)	PUNCT
eurjchem-2602	209	58	dbzi	dbzi	NOUN
eurjchem-2602	209	59	,	,	PUNCT
eurjchem-2602	209	60	and	and	CCONJ
eurjchem-2602	209	61	(	(	PUNCT
eurjchem-2602	209	62	d	d	X
eurjchem-2602	209	63	)	)	PUNCT
eurjchem-2602	209	64	dbziw	dbziw	ADV
eurjchem-2602	209	65	were	be	AUX
eurjchem-2602	209	66	conducted	conduct	VERB
eurjchem-2602	209	67	.	.	PUNCT
eurjchem-2602	210	1	homo	homo	NOUN
eurjchem-2602	210	2	-	-	PUNCT
eurjchem-2602	210	3	lumo	lumo	NOUN
eurjchem-2602	210	4	explains	explain	VERB
eurjchem-2602	210	5	a	a	DET
eurjchem-2602	210	6	variety	variety	NOUN
eurjchem-2602	210	7	of	of	ADP
eurjchem-2602	210	8	reactions	reaction	NOUN
eurjchem-2602	210	9	in	in	ADP
eurjchem-2602	210	10	conjugated	conjugated	ADJ
eurjchem-2602	210	11	systems	system	NOUN
eurjchem-2602	210	12	and	and	CCONJ
eurjchem-2602	210	13	predicts	predict	VERB
eurjchem-2602	210	14	the	the	DET
eurjchem-2602	210	15	most	most	ADV
eurjchem-2602	210	16	reactive	reactive	ADJ
eurjchem-2602	210	17	location	location	NOUN
eurjchem-2602	210	18	in	in	ADP
eurjchem-2602	210	19	π	π	PROPN
eurjchem-2602	210	20	-	-	PUNCT
eurjchem-2602	210	21	electron	electron	NOUN
eurjchem-2602	210	22	systems	system	NOUN
eurjchem-2602	210	23	using	use	VERB
eurjchem-2602	210	24	the	the	DET
eurjchem-2602	210	25	frontier	frontier	NOUN
eurjchem-2602	210	26	electron	electron	NOUN
eurjchem-2602	210	27	density	density	NOUN
eurjchem-2602	210	28	.	.	PUNCT
eurjchem-2602	211	1	fmo	fmo	NOUN
eurjchem-2602	211	2	analysis	analysis	NOUN
eurjchem-2602	211	3	is	be	AUX
eurjchem-2602	211	4	commonly	commonly	ADV
eurjchem-2602	211	5	used	use	VERB
eurjchem-2602	211	6	to	to	PART
eurjchem-2602	211	7	describe	describe	VERB
eurjchem-2602	211	8	the	the	DET
eurjchem-2602	211	9	optical	optical	ADJ
eurjchem-2602	211	10	and	and	CCONJ
eurjchem-2602	211	11	electrical	electrical	ADJ
eurjchem-2602	211	12	properties	property	NOUN
eurjchem-2602	211	13	of	of	ADP
eurjchem-2602	211	14	organic	organic	ADJ
eurjchem-2602	211	15	compounds	compound	NOUN
eurjchem-2602	211	16	.	.	PUNCT
eurjchem-2602	212	1	to	to	PART
eurjchem-2602	212	2	understand	understand	VERB
eurjchem-2602	212	3	the	the	DET
eurjchem-2602	212	4	nature	nature	NOUN
eurjchem-2602	212	5	of	of	ADP
eurjchem-2602	212	6	the	the	DET
eurjchem-2602	212	7	electronic	electronic	ADJ
eurjchem-2602	212	8	transition	transition	NOUN
eurjchem-2602	212	9	,	,	PUNCT
eurjchem-2602	212	10	the	the	DET
eurjchem-2602	212	11	electron	electron	NOUN
eurjchem-2602	212	12	density	density	NOUN
eurjchem-2602	212	13	plots	plot	NOUN
eurjchem-2602	212	14	of	of	ADP
eurjchem-2602	212	15	homo	homo	NOUN
eurjchem-2602	212	16	and	and	CCONJ
eurjchem-2602	212	17	lumo	lumo	NOUN
eurjchem-2602	212	18	are	be	AUX
eurjchem-2602	212	19	presented	present	VERB
eurjchem-2602	212	20	in	in	ADP
eurjchem-2602	212	21	figure	figure	NOUN
eurjchem-2602	212	22	8	8	NUM
eurjchem-2602	212	23	.	.	PUNCT
eurjchem-2602	213	1	the	the	DET
eurjchem-2602	213	2	energy	energy	NOUN
eurjchem-2602	213	3	band	band	NOUN
eurjchem-2602	213	4	gap	gap	NOUN
eurjchem-2602	213	5	values	value	NOUN
eurjchem-2602	213	6	of	of	ADP
eurjchem-2602	213	7	the	the	DET
eurjchem-2602	213	8	homo	homo	NOUN
eurjchem-2602	213	9	and	and	CCONJ
eurjchem-2602	213	10	lumo	lumo	NOUN
eurjchem-2602	213	11	of	of	ADP
eurjchem-2602	213	12	dbz	dbz	PROPN
eurjchem-2602	213	13	,	,	PUNCT
eurjchem-2602	213	14	dbzw	dbzw	PROPN
eurjchem-2602	213	15	,	,	PUNCT
eurjchem-2602	213	16	dbzi	dbzi	NOUN
eurjchem-2602	213	17	,	,	PUNCT
eurjchem-2602	213	18	and	and	CCONJ
eurjchem-2602	213	19	dbziw	dbziw	ADV
eurjchem-2602	213	20	are	be	AUX
eurjchem-2602	213	21	4.537	4.537	NUM
eurjchem-2602	213	22	,	,	PUNCT
eurjchem-2602	213	23	3.930	3.930	NUM
eurjchem-2602	213	24	,	,	PUNCT
eurjchem-2602	213	25	3.385	3.385	NUM
eurjchem-2602	213	26	,	,	PUNCT
eurjchem-2602	213	27	and	and	CCONJ
eurjchem-2602	213	28	3.251	3.251	NUM
eurjchem-2602	213	29	ev	ev	NOUN
eurjchem-2602	213	30	,	,	PUNCT
eurjchem-2602	213	31	respectively	respectively	ADV
eurjchem-2602	213	32	.	.	PUNCT
eurjchem-2602	214	1	in	in	ADP
eurjchem-2602	214	2	molecular	molecular	ADJ
eurjchem-2602	214	3	interactions	interaction	NOUN
eurjchem-2602	214	4	,	,	PUNCT
eurjchem-2602	214	5	the	the	DET
eurjchem-2602	214	6	homo	homo	NOUN
eurjchem-2602	214	7	represents	represent	VERB
eurjchem-2602	214	8	electron	electron	NOUN
eurjchem-2602	214	9	donors	donor	NOUN
eurjchem-2602	214	10	,	,	PUNCT
eurjchem-2602	214	11	and	and	CCONJ
eurjchem-2602	214	12	its	its	PRON
eurjchem-2602	214	13	energy	energy	NOUN
eurjchem-2602	214	14	is	be	AUX
eurjchem-2602	214	15	related	relate	VERB
eurjchem-2602	214	16	to	to	ADP
eurjchem-2602	214	17	the	the	DET
eurjchem-2602	214	18	ionization	ionization	NOUN
eurjchem-2602	214	19	potential	potential	NOUN
eurjchem-2602	214	20	(	(	PUNCT
eurjchem-2602	214	21	ip	ip	NOUN
eurjchem-2602	214	22	)	)	PUNCT
eurjchem-2602	214	23	,	,	PUNCT
eurjchem-2602	214	24	while	while	SCONJ
eurjchem-2602	214	25	the	the	DET
eurjchem-2602	214	26	lumo	lumo	NOUN
eurjchem-2602	214	27	represents	represent	VERB
eurjchem-2602	214	28	electron	electron	NOUN
eurjchem-2602	214	29	acceptors	acceptor	NOUN
eurjchem-2602	214	30	,	,	PUNCT
eurjchem-2602	214	31	and	and	CCONJ
eurjchem-2602	214	32	its	its	PRON
eurjchem-2602	214	33	energy	energy	NOUN
eurjchem-2602	214	34	is	be	AUX
eurjchem-2602	214	35	related	relate	VERB
eurjchem-2602	214	36	to	to	ADP
eurjchem-2602	214	37	the	the	DET
eurjchem-2602	214	38	electron	electron	NOUN
eurjchem-2602	214	39	affinity	affinity	NOUN
eurjchem-2602	214	40	(	(	PUNCT
eurjchem-2602	214	41	ea	ea	NOUN
eurjchem-2602	214	42	)	)	PUNCT
eurjchem-2602	215	1	[	[	X
eurjchem-2602	215	2	43,44	43,44	X
eurjchem-2602	215	3	]	]	X
eurjchem-2602	215	4	.	.	PUNCT
eurjchem-2602	216	1	the	the	DET
eurjchem-2602	216	2	homo	homo	NOUN
eurjchem-2602	216	3	-	-	PUNCT
eurjchem-2602	216	4	lumo	lumo	NOUN
eurjchem-2602	216	5	energy	energy	NOUN
eurjchem-2602	216	6	gap	gap	NOUN
eurjchem-2602	216	7	,	,	PUNCT
eurjchem-2602	216	8	which	which	PRON
eurjchem-2602	216	9	is	be	AUX
eurjchem-2602	216	10	useful	useful	ADJ
eurjchem-2602	216	11	for	for	ADP
eurjchem-2602	216	12	determining	determine	VERB
eurjchem-2602	216	13	molecular	molecular	ADJ
eurjchem-2602	216	14	electrical	electrical	ADJ
eurjchem-2602	216	15	transport	transport	NOUN
eurjchem-2602	216	16	properties	property	NOUN
eurjchem-2602	216	17	,	,	PUNCT
eurjchem-2602	216	18	explains	explain	VERB
eurjchem-2602	216	19	the	the	DET
eurjchem-2602	216	20	charge	charge	NOUN
eurjchem-2602	216	21	transfer	transfer	NOUN
eurjchem-2602	216	22	interaction	interaction	NOUN
eurjchem-2602	216	23	within	within	ADP
eurjchem-2602	216	24	the	the	DET
eurjchem-2602	216	25	molecule	molecule	NOUN
eurjchem-2602	216	26	[	[	X
eurjchem-2602	216	27	45,46	45,46	NOUN
eurjchem-2602	216	28	]	]	PUNCT
eurjchem-2602	216	29	.	.	PUNCT
eurjchem-2602	217	1	table	table	NOUN
eurjchem-2602	217	2	9	9	NUM
eurjchem-2602	217	3	lists	list	NOUN
eurjchem-2602	217	4	the	the	DET
eurjchem-2602	217	5	predicted	predict	VERB
eurjchem-2602	217	6	homo	homo	NOUN
eurjchem-2602	217	7	and	and	CCONJ
eurjchem-2602	217	8	lumo	lumo	NOUN
eurjchem-2602	217	9	energies	energy	NOUN
eurjchem-2602	217	10	,	,	PUNCT
eurjchem-2602	217	11	as	as	ADV
eurjchem-2602	217	12	well	well	ADV
eurjchem-2602	217	13	as	as	ADP
eurjchem-2602	217	14	additional	additional	ADJ
eurjchem-2602	217	15	characteristics	characteristic	NOUN
eurjchem-2602	217	16	.	.	PUNCT
eurjchem-2602	218	1	thus	thus	ADV
eurjchem-2602	218	2	,	,	PUNCT
eurjchem-2602	218	3	it	it	PRON
eurjchem-2602	218	4	is	be	AUX
eurjchem-2602	218	5	clear	clear	ADJ
eurjchem-2602	218	6	from	from	ADP
eurjchem-2602	218	7	table	table	NOUN
eurjchem-2602	218	8	9	9	NUM
eurjchem-2602	218	9	that	that	SCONJ
eurjchem-2602	218	10	dbz	dbz	PROPN
eurjchem-2602	218	11	is	be	AUX
eurjchem-2602	218	12	hard	hard	ADJ
eurjchem-2602	218	13	,	,	PUNCT
eurjchem-2602	218	14	more	more	ADV
eurjchem-2602	218	15	stable	stable	ADJ
eurjchem-2602	218	16	,	,	PUNCT
eurjchem-2602	218	17	and	and	CCONJ
eurjchem-2602	218	18	less	less	ADV
eurjchem-2602	218	19	reactive	reactive	ADJ
eurjchem-2602	218	20	,	,	PUNCT
eurjchem-2602	218	21	while	while	SCONJ
eurjchem-2602	218	22	compound	compound	NOUN
eurjchem-2602	218	23	dbziw	dbziw	ADV
eurjchem-2602	218	24	is	be	AUX
eurjchem-2602	218	25	soft	soft	ADJ
eurjchem-2602	218	26	,	,	PUNCT
eurjchem-2602	218	27	the	the	DET
eurjchem-2602	218	28	least	least	ADV
eurjchem-2602	218	29	stable	stable	ADJ
eurjchem-2602	218	30	,	,	PUNCT
eurjchem-2602	218	31	and	and	CCONJ
eurjchem-2602	218	32	more	more	ADV
eurjchem-2602	218	33	reactive	reactive	ADJ
eurjchem-2602	218	34	compared	compare	VERB
eurjchem-2602	218	35	to	to	ADP
eurjchem-2602	218	36	the	the	DET
eurjchem-2602	218	37	others	other	NOUN
eurjchem-2602	218	38	.	.	PUNCT
eurjchem-2602	219	1	the	the	DET
eurjchem-2602	219	2	homo	homo	NOUN
eurjchem-2602	219	3	-	-	PUNCT
eurjchem-2602	219	4	lumo	lumo	NOUN
eurjchem-2602	219	5	energy	energy	NOUN
eurjchem-2602	219	6	gap	gap	NOUN
eurjchem-2602	219	7	decreases	decrease	VERB
eurjchem-2602	219	8	from	from	ADP
eurjchem-2602	219	9	molecule	molecule	NOUN
eurjchem-2602	219	10	dbz	dbz	PROPN
eurjchem-2602	219	11	to	to	PART
eurjchem-2602	219	12	dbzi	dbzi	VERB
eurjchem-2602	219	13	to	to	ADP
eurjchem-2602	219	14	dbzw	dbzw	PROPN
eurjchem-2602	219	15	,	,	PUNCT
eurjchem-2602	219	16	with	with	ADP
eurjchem-2602	219	17	the	the	DET
eurjchem-2602	219	18	minimum	minimum	ADJ
eurjchem-2602	219	19	energy	energy	NOUN
eurjchem-2602	219	20	gap	gap	NOUN
eurjchem-2602	219	21	achieved	achieve	VERB
eurjchem-2602	219	22	with	with	ADP
eurjchem-2602	219	23	the	the	DET
eurjchem-2602	219	24	water	water	NOUN
eurjchem-2602	219	25	and	and	CCONJ
eurjchem-2602	219	26	iodine	iodine	NOUN
eurjchem-2602	219	27	substituents	substituent	NOUN
eurjchem-2602	219	28	in	in	ADP
eurjchem-2602	219	29	dbziw	dbziw	ADV
eurjchem-2602	219	30	.	.	PUNCT
eurjchem-2602	220	1	therefore	therefore	ADV
eurjchem-2602	220	2	,	,	PUNCT
eurjchem-2602	220	3	this	this	DET
eurjchem-2602	220	4	substituent	substituent	NOUN
eurjchem-2602	220	5	increases	increase	VERB
eurjchem-2602	220	6	the	the	DET
eurjchem-2602	220	7	reactivity	reactivity	NOUN
eurjchem-2602	220	8	of	of	ADP
eurjchem-2602	220	9	the	the	DET
eurjchem-2602	220	10	benzimidazole	benzimidazole	PROPN
eurjchem-2602	220	11	derivative	derivative	NOUN
eurjchem-2602	220	12	.	.	PUNCT
eurjchem-2602	221	1	from	from	ADP
eurjchem-2602	221	2	figure	figure	NOUN
eurjchem-2602	221	3	8	8	NUM
eurjchem-2602	221	4	,	,	PUNCT
eurjchem-2602	221	5	we	we	PRON
eurjchem-2602	221	6	observed	observe	VERB
eurjchem-2602	221	7	that	that	SCONJ
eurjchem-2602	221	8	the	the	DET
eurjchem-2602	221	9	electron	electron	NOUN
eurjchem-2602	221	10	density	density	NOUN
eurjchem-2602	221	11	of	of	ADP
eurjchem-2602	221	12	the	the	DET
eurjchem-2602	221	13	molecules	molecule	NOUN
eurjchem-2602	221	14	’	'	PUNCT
eurjchem-2602	221	15	homo	homo	NOUN
eurjchem-2602	221	16	and	and	CCONJ
eurjchem-2602	221	17	lumo	lumo	NOUN
eurjchem-2602	221	18	frontier	frontier	NOUN
eurjchem-2602	221	19	orbitals	orbital	NOUN
eurjchem-2602	221	20	is	be	AUX
eurjchem-2602	221	21	primarily	primarily	ADV
eurjchem-2602	221	22	found	find	VERB
eurjchem-2602	221	23	on	on	ADP
eurjchem-2602	221	24	the	the	DET
eurjchem-2602	221	25	fused	fuse	VERB
eurjchem-2602	221	26	benzimidazole	benzimidazole	NOUN
eurjchem-2602	221	27	moieties	moiety	NOUN
eurjchem-2602	221	28	in	in	ADP
eurjchem-2602	221	29	dbz	dbz	PROPN
eurjchem-2602	221	30	and	and	CCONJ
eurjchem-2602	221	31	dbzw	dbzw	PROPN
eurjchem-2602	221	32	.	.	PUNCT
eurjchem-2602	222	1	this	this	PRON
eurjchem-2602	222	2	suggests	suggest	VERB
eurjchem-2602	222	3	that	that	SCONJ
eurjchem-2602	222	4	these	these	DET
eurjchem-2602	222	5	locations	location	NOUN
eurjchem-2602	222	6	act	act	VERB
eurjchem-2602	222	7	as	as	ADP
eurjchem-2602	222	8	electron	electron	NOUN
eurjchem-2602	222	9	-	-	PUNCT
eurjchem-2602	222	10	donating	donate	VERB
eurjchem-2602	222	11	groups	group	NOUN
eurjchem-2602	222	12	while	while	SCONJ
eurjchem-2602	222	13	forming	form	VERB
eurjchem-2602	222	14	coordination	coordination	NOUN
eurjchem-2602	222	15	bonds	bond	NOUN
eurjchem-2602	222	16	with	with	ADP
eurjchem-2602	222	17	the	the	DET
eurjchem-2602	222	18	unoccupied	unoccupied	ADJ
eurjchem-2602	222	19	orbitals	orbital	NOUN
eurjchem-2602	222	20	.	.	PUNCT
eurjchem-2602	223	1	moreover	moreover	ADV
eurjchem-2602	223	2	,	,	PUNCT
eurjchem-2602	223	3	for	for	ADP
eurjchem-2602	223	4	the	the	DET
eurjchem-2602	223	5	molecular	molecular	ADJ
eurjchem-2602	223	6	structures	structure	NOUN
eurjchem-2602	223	7	of	of	ADP
eurjchem-2602	223	8	dbzi	dbzi	NOUN
eurjchem-2602	223	9	and	and	CCONJ
eurjchem-2602	223	10	dbziw	dbziw	ADV
eurjchem-2602	223	11	,	,	PUNCT
eurjchem-2602	223	12	the	the	DET
eurjchem-2602	223	13	homo	homo	NOUN
eurjchem-2602	223	14	electron	electron	NOUN
eurjchem-2602	223	15	distribution	distribution	NOUN
eurjchem-2602	223	16	is	be	AUX
eurjchem-2602	223	17	mainly	mainly	ADV
eurjchem-2602	223	18	located	locate	VERB
eurjchem-2602	223	19	in	in	ADP
eurjchem-2602	223	20	the	the	DET
eurjchem-2602	223	21	benzimidazole	benzimidazole	ADJ
eurjchem-2602	223	22	moiety	moiety	NOUN
eurjchem-2602	223	23	,	,	PUNCT
eurjchem-2602	223	24	indicating	indicate	VERB
eurjchem-2602	223	25	that	that	SCONJ
eurjchem-2602	223	26	benzimidazole	benzimidazole	NOUN
eurjchem-2602	223	27	is	be	AUX
eurjchem-2602	223	28	responsible	responsible	ADJ
eurjchem-2602	223	29	for	for	ADP
eurjchem-2602	223	30	electron	electron	NOUN
eurjchem-2602	223	31	donation	donation	NOUN
eurjchem-2602	223	32	,	,	PUNCT
eurjchem-2602	223	33	while	while	SCONJ
eurjchem-2602	223	34	the	the	DET
eurjchem-2602	223	35	iodine	iodine	NOUN
eurjchem-2602	223	36	and	and	CCONJ
eurjchem-2602	223	37	water	water	NOUN
eurjchem-2602	223	38	molecules	molecule	NOUN
eurjchem-2602	223	39	have	have	VERB
eurjchem-2602	223	40	a	a	DET
eurjchem-2602	223	41	localized	localize	VERB
eurjchem-2602	223	42	lumo	lumo	NOUN
eurjchem-2602	223	43	electron	electron	NOUN
eurjchem-2602	223	44	distribution	distribution	NOUN
eurjchem-2602	223	45	.	.	PUNCT
eurjchem-2602	224	1	consequently	consequently	ADV
eurjchem-2602	224	2	,	,	PUNCT
eurjchem-2602	224	3	these	these	DET
eurjchem-2602	224	4	groups	group	NOUN
eurjchem-2602	224	5	appear	appear	VERB
eurjchem-2602	224	6	to	to	PART
eurjchem-2602	224	7	be	be	AUX
eurjchem-2602	224	8	preferred	prefer	VERB
eurjchem-2602	224	9	locations	location	NOUN
eurjchem-2602	224	10	for	for	ADP
eurjchem-2602	224	11	electron	electron	NOUN
eurjchem-2602	224	12	acceptance	acceptance	NOUN
eurjchem-2602	224	13	[	[	X
eurjchem-2602	224	14	47	47	NUM
eurjchem-2602	224	15	]	]	PUNCT
eurjchem-2602	224	16	.	.	PUNCT
eurjchem-2602	225	1	the	the	DET
eurjchem-2602	225	2	homo	homo	NOUN
eurjchem-2602	225	3	-	-	PUNCT
eurjchem-2602	225	4	lumo	lumo	NOUN
eurjchem-2602	225	5	gap	gap	NOUN
eurjchem-2602	225	6	indicates	indicate	VERB
eurjchem-2602	225	7	the	the	DET
eurjchem-2602	225	8	transition	transition	NOUN
eurjchem-2602	225	9	state	state	NOUN
eurjchem-2602	225	10	of	of	ADP
eurjchem-2602	225	11	the	the	DET
eurjchem-2602	225	12	molecules	molecule	NOUN
eurjchem-2602	225	13	.	.	PUNCT
eurjchem-2602	226	1	in	in	ADP
eurjchem-2602	226	2	large	large	ADJ
eurjchem-2602	226	3	conjugated	conjugate	VERB
eurjchem-2602	226	4	π	π	PROPN
eurjchem-2602	226	5	orbital	orbital	ADJ
eurjchem-2602	226	6	systems	system	NOUN
eurjchem-2602	226	7	,	,	PUNCT
eurjchem-2602	226	8	the	the	DET
eurjchem-2602	226	9	mobility	mobility	NOUN
eurjchem-2602	226	10	of	of	ADP
eurjchem-2602	226	11	the	the	DET
eurjchem-2602	226	12	π	π	PROPN
eurjchem-2602	226	13	electrons	electron	NOUN
eurjchem-2602	226	14	increases	increase	VERB
eurjchem-2602	226	15	the	the	DET
eurjchem-2602	226	16	energy	energy	NOUN
eurjchem-2602	226	17	distribution	distribution	NOUN
eurjchem-2602	226	18	throughout	throughout	ADP
eurjchem-2602	226	19	the	the	DET
eurjchem-2602	226	20	molecule	molecule	NOUN
eurjchem-2602	226	21	,	,	PUNCT
eurjchem-2602	226	22	thus	thus	ADV
eurjchem-2602	226	23	stabilizing	stabilize	VERB
eurjchem-2602	226	24	it	it	PRON
eurjchem-2602	226	25	.	.	PUNCT
eurjchem-2602	227	1	therefore	therefore	ADV
eurjchem-2602	227	2	,	,	PUNCT
eurjchem-2602	227	3	greater	great	ADJ
eurjchem-2602	227	4	stability	stability	NOUN
eurjchem-2602	227	5	is	be	AUX
eurjchem-2602	227	6	correlated	correlate	VERB
eurjchem-2602	227	7	with	with	ADP
eurjchem-2602	227	8	smaller	small	ADJ
eurjchem-2602	227	9	homo	homo	NOUN
eurjchem-2602	227	10	-	-	PUNCT
eurjchem-2602	227	11	lumo	lumo	NOUN
eurjchem-2602	227	12	gaps	gap	NOUN
eurjchem-2602	227	13	.	.	PUNCT
eurjchem-2602	228	1	compared	compare	VERB
eurjchem-2602	228	2	to	to	ADP
eurjchem-2602	228	3	the	the	DET
eurjchem-2602	228	4	other	other	ADJ
eurjchem-2602	228	5	structures	structure	NOUN
eurjchem-2602	228	6	discussed	discuss	VERB
eurjchem-2602	228	7	(	(	PUNCT
eurjchem-2602	228	8	dbz	dbz	PROPN
eurjchem-2602	228	9	,	,	PUNCT
eurjchem-2602	228	10	dbzi	dbzi	NOUN
eurjchem-2602	228	11	,	,	PUNCT
eurjchem-2602	228	12	and	and	CCONJ
eurjchem-2602	228	13	dbzw	dbzw	PROPN
eurjchem-2602	228	14	)	)	PUNCT
eurjchem-2602	228	15	,	,	PUNCT
eurjchem-2602	228	16	the	the	DET
eurjchem-2602	228	17	notable	notable	ADJ
eurjchem-2602	228	18	reduction	reduction	NOUN
eurjchem-2602	228	19	of	of	ADP
eurjchem-2602	228	20	the	the	DET
eurjchem-2602	228	21	gap	gap	NOUN
eurjchem-2602	228	22	in	in	ADP
eurjchem-2602	228	23	dbziw	dbziw	ADJ
eurjchem-2602	228	24	indicates	indicate	VERB
eurjchem-2602	228	25	greater	great	ADJ
eurjchem-2602	228	26	charge	charge	NOUN
eurjchem-2602	228	27	transfer	transfer	NOUN
eurjchem-2602	228	28	and	and	CCONJ
eurjchem-2602	228	29	higher	high	ADJ
eurjchem-2602	228	30	reactivity	reactivity	NOUN
eurjchem-2602	228	31	.	.	PUNCT
eurjchem-2602	229	1	16	16	NUM
eurjchem-2602	229	2	gandhi	gandhi	PROPN
eurjchem-2602	229	3	et	et	PROPN
eurjchem-2602	229	4	al	al	PROPN
eurjchem-2602	229	5	.	.	PUNCT
eurjchem-2602	229	6	/	/	SYM
eurjchem-2602	229	7	european	european	PROPN
eurjchem-2602	229	8	journal	journal	PROPN
eurjchem-2602	229	9	of	of	ADP
eurjchem-2602	229	10	chemistry	chemistry	NOUN
eurjchem-2602	229	11	16	16	NUM
eurjchem-2602	229	12	(	(	PUNCT
eurjchem-2602	229	13	1	1	NUM
eurjchem-2602	229	14	)	)	PUNCT
eurjchem-2602	229	15	(	(	PUNCT
eurjchem-2602	229	16	2025	2025	NUM
eurjchem-2602	229	17	)	)	PUNCT
eurjchem-2602	229	18	7	7	NUM
eurjchem-2602	229	19	-	-	SYM
eurjchem-2602	229	20	19	19	NUM
eurjchem-2602	229	21	2025	2025	NUM
eurjchem-2602	229	22	–	–	PUNCT
eurjchem-2602	229	23	european	european	ADJ
eurjchem-2602	229	24	journal	journal	NOUN
eurjchem-2602	229	25	of	of	ADP
eurjchem-2602	229	26	chemistry	chemistry	NOUN
eurjchem-2602	229	27	–	–	PUNCT
eurjchem-2602	229	28	cc	cc	NOUN
eurjchem-2602	229	29	by	by	ADP
eurjchem-2602	229	30	nc	nc	PROPN
eurjchem-2602	229	31	–	–	PUNCT
eurjchem-2602	229	32	doi	doi	PROPN
eurjchem-2602	229	33	:	:	PUNCT
eurjchem-2602	229	34	10.5155	10.5155	NUM
eurjchem-2602	229	35	/	/	SYM
eurjchem-2602	229	36	eurjchem.16.1.7	eurjchem.16.1.7	PROPN
eurjchem-2602	229	37	-	-	PUNCT
eurjchem-2602	229	38	19.2602	19.2602	NUM
eurjchem-2602	229	39	table	table	NOUN
eurjchem-2602	229	40	10	10	NUM
eurjchem-2602	229	41	.	.	PUNCT
eurjchem-2602	230	1	the	the	DET
eurjchem-2602	230	2	energy	energy	NOUN
eurjchem-2602	230	3	values	value	NOUN
eurjchem-2602	230	4	of	of	ADP
eurjchem-2602	230	5	the	the	DET
eurjchem-2602	230	6	dbz	dbz	PROPN
eurjchem-2602	230	7	,	,	PUNCT
eurjchem-2602	230	8	dbzw	dbzw	PROPN
eurjchem-2602	230	9	,	,	PUNCT
eurjchem-2602	230	10	dbzi	dbzi	PROPN
eurjchem-2602	230	11	,	,	PUNCT
eurjchem-2602	230	12	and	and	CCONJ
eurjchem-2602	230	13	dbzwi	dbzwi	NOUN
eurjchem-2602	230	14	molecules	molecule	NOUN
eurjchem-2602	230	15	obtained	obtain	VERB
eurjchem-2602	230	16	by	by	ADP
eurjchem-2602	230	17	the	the	DET
eurjchem-2602	230	18	docking	docking	NOUN
eurjchem-2602	230	19	study	study	NOUN
eurjchem-2602	230	20	.	.	PUNCT
eurjchem-2602	231	1	compound	compound	VERB
eurjchem-2602	231	2	7xw5	7xw5	NUM
eurjchem-2602	231	3	2xw7	2xw7	NUM
eurjchem-2602	231	4	4qt5	4qt5	NUM
eurjchem-2602	231	5	dbz	dbz	PROPN
eurjchem-2602	231	6	-80.83	-80.83	PROPN
eurjchem-2602	231	7	-165.83	-165.83	PROPN
eurjchem-2602	232	1	-161.20	-161.20	PROPN
eurjchem-2602	232	2	dbzw	dbzw	ADJ
eurjchem-2602	232	3	-106.32	-106.32	PROPN
eurjchem-2602	232	4	-205.06	-205.06	PROPN
eurjchem-2602	232	5	-173.43	-173.43	PROPN
eurjchem-2602	232	6	dbzi	dbzi	NOUN
eurjchem-2602	232	7	-51.05	-51.05	PRON
eurjchem-2602	232	8	-188.38	-188.38	PROPN
eurjchem-2602	232	9	-161.31	-161.31	PROPN
eurjchem-2602	232	10	dbzwi	dbzwi	NOUN
eurjchem-2602	232	11	-111.13	-111.13	PROPN
eurjchem-2602	233	1	-203.25	-203.25	PROPN
eurjchem-2602	233	2	-191.91	-191.91	PROPN
eurjchem-2602	233	3	table	table	NOUN
eurjchem-2602	233	4	11	11	NUM
eurjchem-2602	233	5	.	.	PUNCT
eurjchem-2602	234	1	measurement	measurement	NOUN
eurjchem-2602	234	2	of	of	ADP
eurjchem-2602	234	3	the	the	DET
eurjchem-2602	234	4	inhibition	inhibition	NOUN
eurjchem-2602	234	5	zone	zone	NOUN
eurjchem-2602	234	6	of	of	ADP
eurjchem-2602	234	7	the	the	DET
eurjchem-2602	234	8	title	title	NOUN
eurjchem-2602	234	9	compound	compound	NOUN
eurjchem-2602	234	10	*	*	NOUN
eurjchem-2602	234	11	.	.	PUNCT
eurjchem-2602	235	1	organism	organism	NOUN
eurjchem-2602	236	1	sh	sh	INTJ
eurjchem-2602	236	2	sl	sl	INTJ
eurjchem-2602	236	3	uh	uh	INTJ
eurjchem-2602	236	4	ul	ul	INTJ
eurjchem-2602	236	5	s.	s.	PROPN
eurjchem-2602	236	6	aureus	aureus	PROPN
eurjchem-2602	236	7	15	15	NUM
eurjchem-2602	236	8	12	12	NUM
eurjchem-2602	236	9	11	11	NUM
eurjchem-2602	236	10	9	9	NUM
eurjchem-2602	236	11	s.	s.	NOUN
eurjchem-2602	236	12	typhi	typhi	PROPN
eurjchem-2602	236	13	24	24	NUM
eurjchem-2602	236	14	22	22	NUM
eurjchem-2602	236	15	18	18	NUM
eurjchem-2602	236	16	12	12	NUM
eurjchem-2602	236	17	*	*	PUNCT
eurjchem-2602	236	18	sh	sh	PROPN
eurjchem-2602	236	19	:	:	PUNCT
eurjchem-2602	236	20	streptomycin	streptomycin	PROPN
eurjchem-2602	236	21	high	high	PROPN
eurjchem-2602	236	22	,	,	PUNCT
eurjchem-2602	236	23	uh	uh	INTJ
eurjchem-2602	236	24	:	:	PUNCT
eurjchem-2602	236	25	title	title	NOUN
eurjchem-2602	236	26	compound	compound	NOUN
eurjchem-2602	236	27	(	(	PUNCT
eurjchem-2602	236	28	dbziw	dbziw	ADJ
eurjchem-2602	236	29	)	)	PUNCT
eurjchem-2602	236	30	high	high	ADJ
eurjchem-2602	236	31	,	,	PUNCT
eurjchem-2602	236	32	sl	sl	PROPN
eurjchem-2602	236	33	:	:	PUNCT
eurjchem-2602	236	34	streptomycin	streptomycin	PROPN
eurjchem-2602	236	35	low	low	PROPN
eurjchem-2602	236	36	,	,	PUNCT
eurjchem-2602	236	37	ul	ul	INTJ
eurjchem-2602	236	38	:	:	PUNCT
eurjchem-2602	236	39	title	title	NOUN
eurjchem-2602	236	40	compound	compound	NOUN
eurjchem-2602	236	41	(	(	PUNCT
eurjchem-2602	236	42	dbziw	dbziw	ADJ
eurjchem-2602	236	43	)	)	PUNCT
eurjchem-2602	236	44	low	low	ADJ
eurjchem-2602	236	45	.	.	PUNCT
eurjchem-2602	237	1	(	(	PUNCT
eurjchem-2602	237	2	a	a	X
eurjchem-2602	237	3	)	)	PUNCT
eurjchem-2602	237	4	(	(	PUNCT
eurjchem-2602	237	5	b	b	X
eurjchem-2602	237	6	)	)	PUNCT
eurjchem-2602	237	7	(	(	PUNCT
eurjchem-2602	237	8	c	c	X
eurjchem-2602	237	9	)	)	PUNCT
eurjchem-2602	237	10	figure	figure	NOUN
eurjchem-2602	237	11	9	9	NUM
eurjchem-2602	237	12	.	.	PUNCT
eurjchem-2602	238	1	molecular	molecular	ADJ
eurjchem-2602	238	2	docking	docking	NOUN
eurjchem-2602	238	3	interactions	interaction	NOUN
eurjchem-2602	238	4	between	between	ADP
eurjchem-2602	238	5	the	the	DET
eurjchem-2602	238	6	molecule	molecule	NOUN
eurjchem-2602	238	7	dbzwi	dbzwi	NOUN
eurjchem-2602	238	8	with	with	ADP
eurjchem-2602	238	9	the	the	DET
eurjchem-2602	238	10	thyroid	thyroid	NOUN
eurjchem-2602	238	11	stimulating	stimulate	VERB
eurjchem-2602	238	12	hormone	hormone	NOUN
eurjchem-2602	238	13	receptor	receptor	NOUN
eurjchem-2602	238	14	(	(	PUNCT
eurjchem-2602	238	15	tshr	tshr	NOUN
eurjchem-2602	238	16	)	)	PUNCT
eurjchem-2602	238	17	(	(	PUNCT
eurjchem-2602	238	18	a	a	X
eurjchem-2602	238	19	)	)	PUNCT
eurjchem-2602	238	20	2xw7	2xw7	NUM
eurjchem-2602	238	21	,	,	PUNCT
eurjchem-2602	238	22	(	(	PUNCT
eurjchem-2602	238	23	b	b	NOUN
eurjchem-2602	238	24	)	)	PUNCT
eurjchem-2602	238	25	4qt5	4qt5	NUM
eurjchem-2602	238	26	,	,	PUNCT
eurjchem-2602	238	27	and	and	CCONJ
eurjchem-2602	238	28	(	(	PUNCT
eurjchem-2602	238	29	c	c	NOUN
eurjchem-2602	238	30	)	)	PUNCT
eurjchem-2602	238	31	7xw7	7xw7	NUM
eurjchem-2602	238	32	.	.	PUNCT
eurjchem-2602	239	1	gandhi	gandhi	PROPN
eurjchem-2602	239	2	et	et	PROPN
eurjchem-2602	239	3	al	al	PROPN
eurjchem-2602	239	4	.	.	PUNCT
eurjchem-2602	239	5	/	/	SYM
eurjchem-2602	239	6	european	european	PROPN
eurjchem-2602	239	7	journal	journal	PROPN
eurjchem-2602	239	8	of	of	ADP
eurjchem-2602	239	9	chemistry	chemistry	NOUN
eurjchem-2602	239	10	16	16	NUM
eurjchem-2602	239	11	(	(	PUNCT
eurjchem-2602	239	12	1	1	NUM
eurjchem-2602	239	13	)	)	PUNCT
eurjchem-2602	239	14	(	(	PUNCT
eurjchem-2602	239	15	2025	2025	NUM
eurjchem-2602	239	16	)	)	PUNCT
eurjchem-2602	239	17	7	7	NUM
eurjchem-2602	239	18	-	-	SYM
eurjchem-2602	239	19	19	19	NUM
eurjchem-2602	239	20	17	17	NUM
eurjchem-2602	239	21	2025	2025	NUM
eurjchem-2602	239	22	–	–	PUNCT
eurjchem-2602	239	23	european	european	ADJ
eurjchem-2602	239	24	journal	journal	NOUN
eurjchem-2602	239	25	of	of	ADP
eurjchem-2602	239	26	chemistry	chemistry	NOUN
eurjchem-2602	239	27	–	–	PUNCT
eurjchem-2602	239	28	cc	cc	NOUN
eurjchem-2602	239	29	by	by	ADP
eurjchem-2602	239	30	nc	nc	PROPN
eurjchem-2602	239	31	–	–	PUNCT
eurjchem-2602	239	32	doi	doi	PROPN
eurjchem-2602	239	33	:	:	PUNCT
eurjchem-2602	239	34	10.5155	10.5155	NUM
eurjchem-2602	239	35	/	/	SYM
eurjchem-2602	239	36	eurjchem.16.1.7	eurjchem.16.1.7	PROPN
eurjchem-2602	239	37	-	-	PUNCT
eurjchem-2602	239	38	19.2602	19.2602	NUM
eurjchem-2602	239	39	3.4	3.4	NUM
eurjchem-2602	239	40	.	.	PUNCT
eurjchem-2602	240	1	molecular	molecular	ADJ
eurjchem-2602	240	2	docking	docking	NOUN
eurjchem-2602	240	3	study	study	NOUN
eurjchem-2602	240	4	thyroid	thyroid	NOUN
eurjchem-2602	240	5	function	function	NOUN
eurjchem-2602	240	6	and	and	CCONJ
eurjchem-2602	240	7	disease	disease	NOUN
eurjchem-2602	240	8	are	be	AUX
eurjchem-2602	240	9	regulated	regulate	VERB
eurjchem-2602	240	10	by	by	ADP
eurjchem-2602	240	11	a	a	DET
eurjchem-2602	240	12	protein	protein	NOUN
eurjchem-2602	240	13	called	call	VERB
eurjchem-2602	240	14	the	the	DET
eurjchem-2602	240	15	thyroid	thyroid	NOUN
eurjchem-2602	240	16	stimulating	stimulate	VERB
eurjchem-2602	240	17	hormone	hormone	NOUN
eurjchem-2602	240	18	(	(	PUNCT
eurjchem-2602	240	19	tsh	tsh	NOUN
eurjchem-2602	240	20	)	)	PUNCT
eurjchem-2602	240	21	receptor	receptor	NOUN
eurjchem-2602	240	22	(	(	PUNCT
eurjchem-2602	240	23	tshr	tshr	NOUN
eurjchem-2602	240	24	)	)	PUNCT
eurjchem-2602	240	25	.	.	PUNCT
eurjchem-2602	241	1	by	by	ADP
eurjchem-2602	241	2	stimulating	stimulate	VERB
eurjchem-2602	241	3	the	the	DET
eurjchem-2602	241	4	uptake	uptake	NOUN
eurjchem-2602	241	5	of	of	ADP
eurjchem-2602	241	6	iodine	iodine	NOUN
eurjchem-2602	241	7	into	into	ADP
eurjchem-2602	241	8	thyroid	thyroid	NOUN
eurjchem-2602	241	9	cells	cell	NOUN
eurjchem-2602	241	10	,	,	PUNCT
eurjchem-2602	241	11	which	which	PRON
eurjchem-2602	241	12	is	be	AUX
eurjchem-2602	241	13	necessary	necessary	ADJ
eurjchem-2602	241	14	for	for	ADP
eurjchem-2602	241	15	the	the	DET
eurjchem-2602	241	16	synthesis	synthesis	NOUN
eurjchem-2602	241	17	of	of	ADP
eurjchem-2602	241	18	thyroid	thyroid	NOUN
eurjchem-2602	241	19	hormones	hormone	NOUN
eurjchem-2602	241	20	that	that	PRON
eurjchem-2602	241	21	depend	depend	VERB
eurjchem-2602	241	22	on	on	ADP
eurjchem-2602	241	23	iodine	iodine	NOUN
eurjchem-2602	241	24	to	to	PART
eurjchem-2602	241	25	function	function	VERB
eurjchem-2602	241	26	correctly	correctly	ADV
eurjchem-2602	241	27	,	,	PUNCT
eurjchem-2602	241	28	tshr	tshr	NOUN
eurjchem-2602	241	29	plays	play	VERB
eurjchem-2602	241	30	a	a	DET
eurjchem-2602	241	31	critical	critical	ADJ
eurjchem-2602	241	32	role	role	NOUN
eurjchem-2602	241	33	in	in	ADP
eurjchem-2602	241	34	iodine	iodine	NOUN
eurjchem-2602	241	35	metabolism	metabolism	NOUN
eurjchem-2602	241	36	.	.	PUNCT
eurjchem-2602	242	1	in	in	ADP
eurjchem-2602	242	2	other	other	ADJ
eurjchem-2602	242	3	words	word	NOUN
eurjchem-2602	242	4	,	,	PUNCT
eurjchem-2602	242	5	when	when	SCONJ
eurjchem-2602	242	6	tsh	tsh	NOUN
eurjchem-2602	242	7	binds	bind	VERB
eurjchem-2602	242	8	to	to	PART
eurjchem-2602	242	9	tshr	tshr	VERB
eurjchem-2602	242	10	,	,	PUNCT
eurjchem-2602	242	11	it	it	PRON
eurjchem-2602	242	12	sets	set	VERB
eurjchem-2602	242	13	off	off	ADP
eurjchem-2602	242	14	a	a	DET
eurjchem-2602	242	15	series	series	NOUN
eurjchem-2602	242	16	of	of	ADP
eurjchem-2602	242	17	events	event	NOUN
eurjchem-2602	242	18	that	that	PRON
eurjchem-2602	242	19	increase	increase	VERB
eurjchem-2602	242	20	iodine	iodine	NOUN
eurjchem-2602	242	21	uptake	uptake	NOUN
eurjchem-2602	242	22	and	and	CCONJ
eurjchem-2602	242	23	thyroid	thyroid	VERB
eurjchem-2602	242	24	hormone	hormone	NOUN
eurjchem-2602	242	25	production	production	NOUN
eurjchem-2602	242	26	within	within	ADP
eurjchem-2602	242	27	the	the	DET
eurjchem-2602	242	28	thyroid	thyroid	NOUN
eurjchem-2602	242	29	gland	gland	NOUN
eurjchem-2602	242	30	.	.	PUNCT
eurjchem-2602	243	1	the	the	DET
eurjchem-2602	243	2	synthesized	synthesize	VERB
eurjchem-2602	243	3	molecule	molecule	NOUN
eurjchem-2602	243	4	dbziw	dbziw	ADJ
eurjchem-2602	243	5	contains	contain	VERB
eurjchem-2602	243	6	iodine	iodine	NOUN
eurjchem-2602	243	7	.	.	PUNCT
eurjchem-2602	244	1	the	the	DET
eurjchem-2602	244	2	function	function	NOUN
eurjchem-2602	244	3	of	of	ADP
eurjchem-2602	244	4	thyroid	thyroid	NOUN
eurjchem-2602	244	5	stimulating	stimulate	VERB
eurjchem-2602	244	6	hormones	hormone	NOUN
eurjchem-2602	244	7	is	be	AUX
eurjchem-2602	244	8	where	where	SCONJ
eurjchem-2602	244	9	iodine	iodine	NOUN
eurjchem-2602	244	10	has	have	VERB
eurjchem-2602	244	11	the	the	DET
eurjchem-2602	244	12	most	most	ADV
eurjchem-2602	244	13	significant	significant	ADJ
eurjchem-2602	244	14	influence	influence	NOUN
eurjchem-2602	244	15	.	.	PUNCT
eurjchem-2602	245	1	our	our	PRON
eurjchem-2602	245	2	objective	objective	NOUN
eurjchem-2602	245	3	is	be	AUX
eurjchem-2602	245	4	to	to	PART
eurjchem-2602	245	5	determine	determine	VERB
eurjchem-2602	245	6	the	the	DET
eurjchem-2602	245	7	strength	strength	NOUN
eurjchem-2602	245	8	of	of	ADP
eurjchem-2602	245	9	the	the	DET
eurjchem-2602	245	10	interaction	interaction	NOUN
eurjchem-2602	245	11	between	between	ADP
eurjchem-2602	245	12	the	the	DET
eurjchem-2602	245	13	ligand	ligand	NOUN
eurjchem-2602	245	14	dbziw	dbziw	NOUN
eurjchem-2602	245	15	's	's	PART
eurjchem-2602	245	16	iodine	iodine	NOUN
eurjchem-2602	245	17	and	and	CCONJ
eurjchem-2602	245	18	the	the	DET
eurjchem-2602	245	19	protein	protein	NOUN
eurjchem-2602	245	20	receptor	receptor	NOUN
eurjchem-2602	245	21	thyroid	thyroid	NOUN
eurjchem-2602	245	22	-	-	PUNCT
eurjchem-2602	245	23	stimulating	stimulate	VERB
eurjchem-2602	245	24	hormone	hormone	NOUN
eurjchem-2602	245	25	(	(	PUNCT
eurjchem-2602	245	26	tshr	tshr	NOUN
eurjchem-2602	245	27	)	)	PUNCT
eurjchem-2602	245	28	.	.	PUNCT
eurjchem-2602	246	1	if	if	SCONJ
eurjchem-2602	246	2	the	the	DET
eurjchem-2602	246	3	molecular	molecular	ADJ
eurjchem-2602	246	4	interaction	interaction	NOUN
eurjchem-2602	246	5	is	be	AUX
eurjchem-2602	246	6	strong	strong	ADJ
eurjchem-2602	246	7	,	,	PUNCT
eurjchem-2602	246	8	the	the	DET
eurjchem-2602	246	9	ligand	ligand	NOUN
eurjchem-2602	246	10	can	can	AUX
eurjchem-2602	246	11	be	be	AUX
eurjchem-2602	246	12	utilized	utilize	VERB
eurjchem-2602	246	13	as	as	ADP
eurjchem-2602	246	14	a	a	DET
eurjchem-2602	246	15	drug	drug	NOUN
eurjchem-2602	246	16	to	to	PART
eurjchem-2602	246	17	treat	treat	VERB
eurjchem-2602	246	18	tshr	tshr	NOUN
eurjchem-2602	246	19	,	,	PUNCT
eurjchem-2602	246	20	which	which	PRON
eurjchem-2602	246	21	controls	control	VERB
eurjchem-2602	246	22	thyroid	thyroid	NOUN
eurjchem-2602	246	23	function	function	NOUN
eurjchem-2602	246	24	and	and	CCONJ
eurjchem-2602	246	25	disease	disease	NOUN
eurjchem-2602	246	26	.	.	PUNCT
eurjchem-2602	247	1	we	we	PRON
eurjchem-2602	247	2	investigated	investigate	VERB
eurjchem-2602	247	3	a	a	DET
eurjchem-2602	247	4	molecular	molecular	ADJ
eurjchem-2602	247	5	docking	docking	NOUN
eurjchem-2602	247	6	study	study	NOUN
eurjchem-2602	247	7	of	of	ADP
eurjchem-2602	247	8	1,3	1,3	NUM
eurjchem-2602	247	9	-	-	PUNCT
eurjchem-2602	247	10	dimethyl-3hbenzimidazol-1	dimethyl-3hbenzimidazol-1	NOUN
eurjchem-2602	247	11	-	-	PUNCT
eurjchem-2602	247	12	ium	ium	NOUN
eurjchem-2602	247	13	(	(	PUNCT
eurjchem-2602	247	14	dbz	dbz	PROPN
eurjchem-2602	247	15	)	)	PUNCT
eurjchem-2602	247	16	,	,	PUNCT
eurjchem-2602	247	17	1,3	1,3	NUM
eurjchem-2602	247	18	-	-	PUNCT
eurjchem-2602	247	19	dimethyl-3h	dimethyl-3h	NUM
eurjchem-2602	247	20	-	-	PUNCT
eurjchem-2602	247	21	benzimidazol-1ium	benzimidazol-1ium	NOUN
eurjchem-2602	247	22	monohydrate	monohydrate	NOUN
eurjchem-2602	247	23	(	(	PUNCT
eurjchem-2602	247	24	dbzw	dbzw	PROPN
eurjchem-2602	247	25	)	)	PUNCT
eurjchem-2602	247	26	,	,	PUNCT
eurjchem-2602	247	27	1,3	1,3	NUM
eurjchem-2602	247	28	-	-	PUNCT
eurjchem-2602	247	29	dimethyl-3h	dimethyl-3h	NUM
eurjchem-2602	247	30	-	-	PUNCT
eurjchem-2602	247	31	benzimidazol-1ium	benzimidazol-1ium	NOUN
eurjchem-2602	247	32	iodine	iodine	NOUN
eurjchem-2602	247	33	(	(	PUNCT
eurjchem-2602	247	34	dbzi	dbzi	NOUN
eurjchem-2602	247	35	)	)	PUNCT
eurjchem-2602	247	36	,	,	PUNCT
eurjchem-2602	247	37	and	and	CCONJ
eurjchem-2602	247	38	1,3	1,3	NUM
eurjchem-2602	247	39	-	-	PUNCT
eurjchem-2602	247	40	dimethyl-3h	dimethyl-3h	NOUN
eurjchem-2602	247	41	-	-	PUNCT
eurjchem-2602	247	42	benzimidazol-1	benzimidazol-1	NUM
eurjchem-2602	247	43	-	-	PUNCT
eurjchem-2602	247	44	ium	ium	NOUN
eurjchem-2602	247	45	iodide	iodide	NOUN
eurjchem-2602	247	46	monohydrate	monohydrate	NOUN
eurjchem-2602	247	47	(	(	PUNCT
eurjchem-2602	247	48	dbziw	dbziw	ADV
eurjchem-2602	247	49	)	)	PUNCT
eurjchem-2602	247	50	to	to	PART
eurjchem-2602	247	51	further	far	ADV
eurjchem-2602	247	52	explore	explore	VERB
eurjchem-2602	247	53	the	the	DET
eurjchem-2602	247	54	roles	role	NOUN
eurjchem-2602	247	55	of	of	ADP
eurjchem-2602	247	56	water	water	NOUN
eurjchem-2602	247	57	and	and	CCONJ
eurjchem-2602	247	58	iodine	iodine	NOUN
eurjchem-2602	247	59	in	in	ADP
eurjchem-2602	247	60	the	the	DET
eurjchem-2602	247	61	benzimidazole	benzimidazole	ADJ
eurjchem-2602	247	62	derivatives	derivative	NOUN
eurjchem-2602	247	63	.	.	PUNCT
eurjchem-2602	248	1	we	we	PRON
eurjchem-2602	248	2	proposed	propose	VERB
eurjchem-2602	248	3	other	other	ADJ
eurjchem-2602	248	4	biological	biological	ADJ
eurjchem-2602	248	5	targets	target	NOUN
eurjchem-2602	248	6	for	for	ADP
eurjchem-2602	248	7	our	our	PRON
eurjchem-2602	248	8	reported	report	VERB
eurjchem-2602	248	9	compounds	compound	NOUN
eurjchem-2602	248	10	,	,	PUNCT
eurjchem-2602	248	11	such	such	ADJ
eurjchem-2602	248	12	as	as	ADP
eurjchem-2602	248	13	2xw7	2xw7	NUM
eurjchem-2602	248	14	,	,	PUNCT
eurjchem-2602	248	15	4qt5	4qt5	NUM
eurjchem-2602	248	16	,	,	PUNCT
eurjchem-2602	248	17	and	and	CCONJ
eurjchem-2602	248	18	7xw7	7xw7	NUM
eurjchem-2602	248	19	,	,	PUNCT
eurjchem-2602	248	20	which	which	PRON
eurjchem-2602	248	21	are	be	AUX
eurjchem-2602	248	22	pertinent	pertinent	ADJ
eurjchem-2602	248	23	to	to	PART
eurjchem-2602	248	24	thyroid	thyroid	VERB
eurjchem-2602	248	25	function	function	NOUN
eurjchem-2602	248	26	and	and	CCONJ
eurjchem-2602	248	27	disease	disease	NOUN
eurjchem-2602	248	28	(	(	PUNCT
eurjchem-2602	248	29	tshr	tshr	NOUN
eurjchem-2602	248	30	)	)	PUNCT
eurjchem-2602	248	31	.	.	PUNCT
eurjchem-2602	249	1	the	the	DET
eurjchem-2602	249	2	protein	protein	NOUN
eurjchem-2602	249	3	data	data	PROPN
eurjchem-2602	249	4	bank	bank	PROPN
eurjchem-2602	249	5	(	(	PUNCT
eurjchem-2602	249	6	pdb	pdb	PROPN
eurjchem-2602	249	7	)	)	PUNCT
eurjchem-2602	249	8	was	be	AUX
eurjchem-2602	249	9	used	use	VERB
eurjchem-2602	249	10	to	to	PART
eurjchem-2602	249	11	download	download	VERB
eurjchem-2602	249	12	all	all	DET
eurjchem-2602	249	13	protein	protein	NOUN
eurjchem-2602	249	14	receptors	receptor	NOUN
eurjchem-2602	249	15	(	(	PUNCT
eurjchem-2602	249	16	pdb	pdb	NOUN
eurjchem-2602	249	17	files	file	NOUN
eurjchem-2602	249	18	)	)	PUNCT
eurjchem-2602	249	19	.	.	PUNCT
eurjchem-2602	250	1	all	all	DET
eurjchem-2602	250	2	aforementioned	aforementione	VERB
eurjchem-2602	250	3	protein	protein	NOUN
eurjchem-2602	250	4	receptors	receptor	NOUN
eurjchem-2602	250	5	underwent	undergo	VERB
eurjchem-2602	250	6	molecular	molecular	ADJ
eurjchem-2602	250	7	docking	docking	NOUN
eurjchem-2602	250	8	experiments	experiment	NOUN
eurjchem-2602	250	9	using	use	VERB
eurjchem-2602	250	10	the	the	DET
eurjchem-2602	250	11	stated	state	VERB
eurjchem-2602	250	12	molecules	molecule	NOUN
eurjchem-2602	250	13	(	(	PUNCT
eurjchem-2602	250	14	dbz	dbz	PROPN
eurjchem-2602	250	15	,	,	PUNCT
eurjchem-2602	250	16	dbzi	dbzi	PROPN
eurjchem-2602	250	17	,	,	PUNCT
eurjchem-2602	250	18	dbzw	dbzw	NOUN
eurjchem-2602	250	19	and	and	CCONJ
eurjchem-2602	250	20	dbziw	dbziw	ADJ
eurjchem-2602	250	21	)	)	PUNCT
eurjchem-2602	250	22	.	.	PUNCT
eurjchem-2602	251	1	the	the	DET
eurjchem-2602	251	2	protein	protein	NOUN
eurjchem-2602	251	3	crystal	crystal	NOUN
eurjchem-2602	251	4	structures	structure	NOUN
eurjchem-2602	251	5	for	for	ADP
eurjchem-2602	251	6	the	the	DET
eurjchem-2602	251	7	thyroid	thyroid	NOUN
eurjchem-2602	251	8	stimulating	stimulate	VERB
eurjchem-2602	251	9	hormone	hormone	NOUN
eurjchem-2602	251	10	receptor	receptor	NOUN
eurjchem-2602	251	11	(	(	PUNCT
eurjchem-2602	251	12	tshr	tshr	NOUN
eurjchem-2602	251	13	)	)	PUNCT
eurjchem-2602	251	14	were	be	AUX
eurjchem-2602	251	15	chosen	choose	VERB
eurjchem-2602	251	16	(	(	PUNCT
eurjchem-2602	251	17	pdb	pdb	PROPN
eurjchem-2602	251	18	ids	id	NOUN
eurjchem-2602	251	19	2xw7	2xw7	NUM
eurjchem-2602	251	20	,	,	PUNCT
eurjchem-2602	251	21	4qt5	4qt5	NUM
eurjchem-2602	251	22	,	,	PUNCT
eurjchem-2602	251	23	and	and	CCONJ
eurjchem-2602	251	24	7xw7	7xw7	NUM
eurjchem-2602	251	25	)	)	PUNCT
eurjchem-2602	251	26	,	,	PUNCT
eurjchem-2602	251	27	and	and	CCONJ
eurjchem-2602	251	28	the	the	DET
eurjchem-2602	251	29	hex	hex	PROPN
eurjchem-2602	251	30	software	software	NOUN
eurjchem-2602	251	31	[	[	X
eurjchem-2602	251	32	48	48	NUM
eurjchem-2602	251	33	]	]	PUNCT
eurjchem-2602	251	34	was	be	AUX
eurjchem-2602	251	35	employed	employ	VERB
eurjchem-2602	251	36	to	to	PART
eurjchem-2602	251	37	perform	perform	VERB
eurjchem-2602	251	38	the	the	DET
eurjchem-2602	251	39	docking	docking	NOUN
eurjchem-2602	251	40	of	of	ADP
eurjchem-2602	251	41	the	the	DET
eurjchem-2602	251	42	benzimidazole	benzimidazole	ADJ
eurjchem-2602	251	43	derivatives	derivative	NOUN
eurjchem-2602	251	44	.	.	PUNCT
eurjchem-2602	252	1	a	a	DET
eurjchem-2602	252	2	docking	docking	NOUN
eurjchem-2602	252	3	calculation	calculation	NOUN
eurjchem-2602	252	4	was	be	AUX
eurjchem-2602	252	5	performed	perform	VERB
eurjchem-2602	252	6	to	to	PART
eurjchem-2602	252	7	determine	determine	VERB
eurjchem-2602	252	8	the	the	DET
eurjchem-2602	252	9	docking	docking	NOUN
eurjchem-2602	252	10	score	score	NOUN
eurjchem-2602	252	11	for	for	ADP
eurjchem-2602	252	12	the	the	DET
eurjchem-2602	252	13	benzimidazole	benzimidazole	ADJ
eurjchem-2602	252	14	derivatives	derivative	NOUN
eurjchem-2602	252	15	with	with	ADP
eurjchem-2602	252	16	the	the	DET
eurjchem-2602	252	17	protein	protein	NOUN
eurjchem-2602	252	18	crystal	crystal	NOUN
eurjchem-2602	252	19	structures	structure	NOUN
eurjchem-2602	252	20	separately	separately	ADV
eurjchem-2602	252	21	using	use	VERB
eurjchem-2602	252	22	the	the	DET
eurjchem-2602	252	23	hex	hex	PROPN
eurjchem-2602	252	24	software	software	NOUN
eurjchem-2602	252	25	.	.	PUNCT
eurjchem-2602	253	1	the	the	DET
eurjchem-2602	253	2	energy	energy	NOUN
eurjchem-2602	253	3	values	value	NOUN
eurjchem-2602	253	4	obtained	obtain	VERB
eurjchem-2602	253	5	from	from	ADP
eurjchem-2602	253	6	the	the	DET
eurjchem-2602	253	7	docking	docking	NOUN
eurjchem-2602	253	8	study	study	NOUN
eurjchem-2602	253	9	are	be	AUX
eurjchem-2602	253	10	tabulated	tabulate	VERB
eurjchem-2602	253	11	in	in	ADP
eurjchem-2602	253	12	table	table	NOUN
eurjchem-2602	253	13	10	10	NUM
eurjchem-2602	253	14	.	.	PUNCT
eurjchem-2602	254	1	when	when	SCONJ
eurjchem-2602	254	2	compared	compare	VERB
eurjchem-2602	254	3	to	to	ADP
eurjchem-2602	254	4	other	other	ADJ
eurjchem-2602	254	5	molecules	molecule	NOUN
eurjchem-2602	254	6	(	(	PUNCT
eurjchem-2602	254	7	dbz	dbz	PROPN
eurjchem-2602	254	8	,	,	PUNCT
eurjchem-2602	254	9	dbzi	dbzi	NOUN
eurjchem-2602	254	10	,	,	PUNCT
eurjchem-2602	254	11	and	and	CCONJ
eurjchem-2602	254	12	dbzw	dbzw	PROPN
eurjchem-2602	254	13	)	)	PUNCT
eurjchem-2602	254	14	,	,	PUNCT
eurjchem-2602	254	15	the	the	DET
eurjchem-2602	254	16	molecule	molecule	NOUN
eurjchem-2602	254	17	dbziw	dbziw	ADV
eurjchem-2602	254	18	showed	show	VERB
eurjchem-2602	254	19	compatibility	compatibility	NOUN
eurjchem-2602	254	20	with	with	ADP
eurjchem-2602	254	21	the	the	DET
eurjchem-2602	254	22	receptors	receptor	NOUN
eurjchem-2602	254	23	2xw7	2xw7	NUM
eurjchem-2602	254	24	,	,	PUNCT
eurjchem-2602	254	25	4qt5	4qt5	NUM
eurjchem-2602	254	26	,	,	PUNCT
eurjchem-2602	254	27	and	and	CCONJ
eurjchem-2602	254	28	7xw7	7xw7	NUM
eurjchem-2602	254	29	,	,	PUNCT
eurjchem-2602	254	30	achieving	achieve	VERB
eurjchem-2602	254	31	the	the	DET
eurjchem-2602	254	32	best	good	ADJ
eurjchem-2602	254	33	ligand	ligand	ADJ
eurjchem-2602	254	34	scores	score	NOUN
eurjchem-2602	254	35	of	of	ADP
eurjchem-2602	254	36	-203.25	-203.25	PROPN
eurjchem-2602	254	37	,	,	PUNCT
eurjchem-2602	254	38	-191.91	-191.91	PROPN
eurjchem-2602	254	39	,	,	PUNCT
eurjchem-2602	254	40	and	and	CCONJ
eurjchem-2602	254	41	-111.13	-111.13	PROPN
eurjchem-2602	254	42	kj	kj	PROPN
eurjchem-2602	254	43	/	/	SYM
eurjchem-2602	254	44	mol	mol	PROPN
eurjchem-2602	254	45	,	,	PUNCT
eurjchem-2602	254	46	respectively	respectively	ADV
eurjchem-2602	254	47	,	,	PUNCT
eurjchem-2602	254	48	as	as	SCONJ
eurjchem-2602	254	49	shown	show	VERB
eurjchem-2602	254	50	in	in	ADP
eurjchem-2602	254	51	figure	figure	NOUN
eurjchem-2602	254	52	9	9	NUM
eurjchem-2602	254	53	.	.	PUNCT
eurjchem-2602	255	1	as	as	ADP
eurjchem-2602	255	2	a	a	DET
eurjchem-2602	255	3	result	result	NOUN
eurjchem-2602	255	4	of	of	ADP
eurjchem-2602	255	5	the	the	DET
eurjchem-2602	255	6	presence	presence	NOUN
eurjchem-2602	255	7	of	of	ADP
eurjchem-2602	255	8	water	water	NOUN
eurjchem-2602	255	9	and	and	CCONJ
eurjchem-2602	255	10	iodine	iodine	NOUN
eurjchem-2602	255	11	,	,	PUNCT
eurjchem-2602	255	12	dbziw	dbziw	ADV
eurjchem-2602	255	13	is	be	AUX
eurjchem-2602	255	14	more	more	ADV
eurjchem-2602	255	15	reactive	reactive	ADJ
eurjchem-2602	255	16	compared	compare	VERB
eurjchem-2602	255	17	to	to	ADP
eurjchem-2602	255	18	other	other	ADJ
eurjchem-2602	255	19	molecular	molecular	ADJ
eurjchem-2602	255	20	ligands	ligand	NOUN
eurjchem-2602	255	21	.	.	PUNCT
eurjchem-2602	256	1	the	the	DET
eurjchem-2602	256	2	docking	docking	NOUN
eurjchem-2602	256	3	score	score	NOUN
eurjchem-2602	256	4	data	datum	NOUN
eurjchem-2602	256	5	,	,	PUNCT
eurjchem-2602	256	6	which	which	PRON
eurjchem-2602	256	7	also	also	ADV
eurjchem-2602	256	8	predict	predict	VERB
eurjchem-2602	256	9	the	the	DET
eurjchem-2602	256	10	activity	activity	NOUN
eurjchem-2602	256	11	of	of	ADP
eurjchem-2602	256	12	the	the	DET
eurjchem-2602	256	13	pharmacological	pharmacological	ADJ
eurjchem-2602	256	14	molecule	molecule	NOUN
eurjchem-2602	256	15	,	,	PUNCT
eurjchem-2602	256	16	indicate	indicate	VERB
eurjchem-2602	256	17	the	the	DET
eurjchem-2602	256	18	binding	bind	VERB
eurjchem-2602	256	19	energy	energy	NOUN
eurjchem-2602	256	20	necessary	necessary	ADJ
eurjchem-2602	256	21	to	to	PART
eurjchem-2602	256	22	form	form	VERB
eurjchem-2602	256	23	a	a	DET
eurjchem-2602	256	24	bond	bond	NOUN
eurjchem-2602	256	25	between	between	ADP
eurjchem-2602	256	26	the	the	DET
eurjchem-2602	256	27	ligand	ligand	NOUN
eurjchem-2602	256	28	and	and	CCONJ
eurjchem-2602	256	29	the	the	DET
eurjchem-2602	256	30	receptor	receptor	NOUN
eurjchem-2602	256	31	.	.	PUNCT
eurjchem-2602	257	1	the	the	DET
eurjchem-2602	257	2	in	in	ADV
eurjchem-2602	257	3	vitro	vitro	X
eurjchem-2602	257	4	antibacterial	antibacterial	ADJ
eurjchem-2602	257	5	activity	activity	NOUN
eurjchem-2602	257	6	of	of	ADP
eurjchem-2602	257	7	the	the	DET
eurjchem-2602	257	8	synthesized	synthesize	VERB
eurjchem-2602	257	9	dbziw	dbziw	ADJ
eurjchem-2602	257	10	compound	compound	NOUN
eurjchem-2602	257	11	was	be	AUX
eurjchem-2602	257	12	evaluated	evaluate	VERB
eurjchem-2602	257	13	using	use	VERB
eurjchem-2602	257	14	the	the	DET
eurjchem-2602	257	15	dilution	dilution	NOUN
eurjchem-2602	257	16	technique	technique	NOUN
eurjchem-2602	257	17	against	against	ADP
eurjchem-2602	257	18	bacterial	bacterial	ADJ
eurjchem-2602	257	19	strains	strain	NOUN
eurjchem-2602	257	20	and	and	CCONJ
eurjchem-2602	257	21	tabulated	tabulate	VERB
eurjchem-2602	257	22	in	in	ADP
eurjchem-2602	257	23	table	table	NOUN
eurjchem-2602	257	24	11	11	NUM
eurjchem-2602	257	25	.	.	PUNCT
eurjchem-2602	258	1	4	4	NUM
eurjchem-2602	258	2	.	.	X
eurjchem-2602	258	3	conclusion	conclusion	NOUN
eurjchem-2602	258	4	in	in	ADP
eurjchem-2602	258	5	this	this	DET
eurjchem-2602	258	6	work	work	NOUN
eurjchem-2602	258	7	,	,	PUNCT
eurjchem-2602	258	8	we	we	PRON
eurjchem-2602	258	9	describe	describe	VERB
eurjchem-2602	258	10	the	the	DET
eurjchem-2602	258	11	crystal	crystal	NOUN
eurjchem-2602	258	12	structure	structure	NOUN
eurjchem-2602	258	13	of	of	ADP
eurjchem-2602	258	14	1,3dimethyl-3h	1,3dimethyl-3h	NUM
eurjchem-2602	258	15	-	-	PUNCT
eurjchem-2602	258	16	benzimidazol-1	benzimidazol-1	NUM
eurjchem-2602	258	17	-	-	PUNCT
eurjchem-2602	258	18	ium	ium	NOUN
eurjchem-2602	258	19	iodide	iodide	NOUN
eurjchem-2602	258	20	monohydrate	monohydrate	NOUN
eurjchem-2602	258	21	(	(	PUNCT
eurjchem-2602	258	22	dbziw	dbziw	ADV
eurjchem-2602	258	23	)	)	PUNCT
eurjchem-2602	258	24	,	,	PUNCT
eurjchem-2602	258	25	which	which	PRON
eurjchem-2602	258	26	is	be	AUX
eurjchem-2602	258	27	capable	capable	ADJ
eurjchem-2602	258	28	of	of	ADP
eurjchem-2602	258	29	forming	form	VERB
eurjchem-2602	258	30	hydrogen	hydrogen	NOUN
eurjchem-2602	258	31	bonds	bond	NOUN
eurjchem-2602	258	32	.	.	PUNCT
eurjchem-2602	259	1	dbziw	dbziw	ADJ
eurjchem-2602	259	2	is	be	AUX
eurjchem-2602	259	3	organized	organize	VERB
eurjchem-2602	259	4	in	in	ADP
eurjchem-2602	259	5	weak	weak	ADJ
eurjchem-2602	259	6	π	π	NOUN
eurjchem-2602	259	7	–	–	PUNCT
eurjchem-2602	259	8	π	π	PROPN
eurjchem-2602	259	9	stacked	stack	VERB
eurjchem-2602	259	10	interactions	interaction	NOUN
eurjchem-2602	259	11	involving	involve	VERB
eurjchem-2602	259	12	the	the	DET
eurjchem-2602	259	13	centroid	centroid	NOUN
eurjchem-2602	259	14	of	of	ADP
eurjchem-2602	259	15	the	the	DET
eurjchem-2602	259	16	five	five	NUM
eurjchem-2602	259	17	-	-	PUNCT
eurjchem-2602	259	18	membered	membere	VERB
eurjchem-2602	259	19	imidazole	imidazole	NOUN
eurjchem-2602	259	20	ring	ring	NOUN
eurjchem-2602	259	21	with	with	ADP
eurjchem-2602	259	22	the	the	DET
eurjchem-2602	259	23	sixmembered	sixmembered	ADJ
eurjchem-2602	259	24	phenyl	phenyl	NOUN
eurjchem-2602	259	25	ring	ring	NOUN
eurjchem-2602	259	26	,	,	PUNCT
eurjchem-2602	259	27	and	and	CCONJ
eurjchem-2602	259	28	is	be	AUX
eurjchem-2602	259	29	simultaneously	simultaneously	ADV
eurjchem-2602	259	30	stabilized	stabilize	VERB
eurjchem-2602	259	31	by	by	ADP
eurjchem-2602	259	32	chains	chain	NOUN
eurjchem-2602	259	33	of	of	ADP
eurjchem-2602	259	34	intermolecular	intermolecular	ADJ
eurjchem-2602	259	35	o	o	ADJ
eurjchem-2602	259	36	-	-	ADJ
eurjchem-2602	259	37	h···i	h···i	ADJ
eurjchem-2602	259	38	dimer	dimer	NOUN
eurjchem-2602	259	39	interactions	interaction	NOUN
eurjchem-2602	259	40	with	with	ADP
eurjchem-2602	259	41	water	water	NOUN
eurjchem-2602	259	42	molecules	molecule	NOUN
eurjchem-2602	259	43	and	and	CCONJ
eurjchem-2602	259	44	iodine	iodine	NOUN
eurjchem-2602	259	45	stacks	stack	NOUN
eurjchem-2602	259	46	,	,	PUNCT
eurjchem-2602	259	47	forming	form	VERB
eurjchem-2602	259	48	channels	channel	NOUN
eurjchem-2602	259	49	supported	support	VERB
eurjchem-2602	259	50	by	by	ADP
eurjchem-2602	259	51	oh···i	oh···i	PROPN
eurjchem-2602	259	52	hydrogen	hydrogen	NOUN
eurjchem-2602	259	53	bond	bond	NOUN
eurjchem-2602	259	54	interactions	interaction	NOUN
eurjchem-2602	259	55	.	.	PUNCT
eurjchem-2602	260	1	intermolecular	intermolecular	ADJ
eurjchem-2602	260	2	hydrogen	hydrogen	NOUN
eurjchem-2602	260	3	bonding	bonding	NOUN
eurjchem-2602	260	4	interactions	interaction	NOUN
eurjchem-2602	260	5	that	that	PRON
eurjchem-2602	260	6	contribute	contribute	VERB
eurjchem-2602	260	7	to	to	ADP
eurjchem-2602	260	8	molecular	molecular	ADJ
eurjchem-2602	260	9	stability	stability	NOUN
eurjchem-2602	260	10	were	be	AUX
eurjchem-2602	260	11	highlighted	highlight	VERB
eurjchem-2602	260	12	by	by	ADP
eurjchem-2602	260	13	hirshfeld	hirshfeld	PROPN
eurjchem-2602	260	14	surface	surface	NOUN
eurjchem-2602	260	15	analysis	analysis	NOUN
eurjchem-2602	260	16	,	,	PUNCT
eurjchem-2602	260	17	and	and	CCONJ
eurjchem-2602	260	18	the	the	DET
eurjchem-2602	260	19	2d	2d	PROPN
eurjchem-2602	260	20	fingerprint	fingerprint	NOUN
eurjchem-2602	260	21	map	map	NOUN
eurjchem-2602	260	22	revealed	reveal	VERB
eurjchem-2602	260	23	the	the	DET
eurjchem-2602	260	24	proportion	proportion	NOUN
eurjchem-2602	260	25	of	of	ADP
eurjchem-2602	260	26	intermolecular	intermolecular	ADJ
eurjchem-2602	260	27	contacts	contact	NOUN
eurjchem-2602	260	28	of	of	ADP
eurjchem-2602	260	29	the	the	DET
eurjchem-2602	260	30	molecule	molecule	NOUN
eurjchem-2602	260	31	,	,	PUNCT
eurjchem-2602	260	32	showing	show	VERB
eurjchem-2602	260	33	that	that	SCONJ
eurjchem-2602	260	34	h···h	h···h	PROPN
eurjchem-2602	260	35	(	(	PUNCT
eurjchem-2602	260	36	51.1	51.1	NUM
eurjchem-2602	260	37	%	%	NOUN
eurjchem-2602	260	38	)	)	PUNCT
eurjchem-2602	260	39	and	and	CCONJ
eurjchem-2602	260	40	i···h	i···h	NOUN
eurjchem-2602	260	41	(	(	PUNCT
eurjchem-2602	260	42	27.5	27.5	NUM
eurjchem-2602	260	43	%	%	NOUN
eurjchem-2602	260	44	)	)	PUNCT
eurjchem-2602	260	45	interactions	interaction	NOUN
eurjchem-2602	260	46	are	be	AUX
eurjchem-2602	260	47	the	the	DET
eurjchem-2602	260	48	most	most	ADV
eurjchem-2602	260	49	prevalent	prevalent	ADJ
eurjchem-2602	260	50	in	in	ADP
eurjchem-2602	260	51	the	the	DET
eurjchem-2602	260	52	crystal	crystal	NOUN
eurjchem-2602	260	53	lattice	lattice	NOUN
eurjchem-2602	260	54	.	.	PUNCT
eurjchem-2602	261	1	the	the	DET
eurjchem-2602	261	2	energy	energy	NOUN
eurjchem-2602	261	3	framework	framework	NOUN
eurjchem-2602	261	4	study	study	NOUN
eurjchem-2602	261	5	revealed	reveal	VERB
eurjchem-2602	261	6	the	the	DET
eurjchem-2602	261	7	corresponding	correspond	VERB
eurjchem-2602	261	8	energies	energy	NOUN
eurjchem-2602	261	9	for	for	ADP
eurjchem-2602	261	10	the	the	DET
eurjchem-2602	261	11	intermolecular	intermolecular	ADJ
eurjchem-2602	261	12	interactions	interaction	NOUN
eurjchem-2602	261	13	involved	involve	VERB
eurjchem-2602	261	14	;	;	PUNCT
eurjchem-2602	261	15	it	it	PRON
eurjchem-2602	261	16	was	be	AUX
eurjchem-2602	261	17	found	find	VERB
eurjchem-2602	261	18	that	that	SCONJ
eurjchem-2602	261	19	the	the	DET
eurjchem-2602	261	20	dispersion	dispersion	NOUN
eurjchem-2602	261	21	energy	energy	NOUN
eurjchem-2602	261	22	contributes	contribute	VERB
eurjchem-2602	261	23	maximally	maximally	ADV
eurjchem-2602	261	24	for	for	ADP
eurjchem-2602	261	25	each	each	DET
eurjchem-2602	261	26	molecular	molecular	ADJ
eurjchem-2602	261	27	pair	pair	NOUN
eurjchem-2602	261	28	,	,	PUNCT
eurjchem-2602	261	29	ensuring	ensure	VERB
eurjchem-2602	261	30	the	the	DET
eurjchem-2602	261	31	stability	stability	NOUN
eurjchem-2602	261	32	of	of	ADP
eurjchem-2602	261	33	the	the	DET
eurjchem-2602	261	34	structure	structure	NOUN
eurjchem-2602	261	35	.	.	PUNCT
eurjchem-2602	262	1	to	to	PART
eurjchem-2602	262	2	further	far	ADV
eurjchem-2602	262	3	investigate	investigate	VERB
eurjchem-2602	262	4	the	the	DET
eurjchem-2602	262	5	molecular	molecular	ADJ
eurjchem-2602	262	6	structure	structure	NOUN
eurjchem-2602	262	7	and	and	CCONJ
eurjchem-2602	262	8	the	the	DET
eurjchem-2602	262	9	role	role	NOUN
eurjchem-2602	262	10	of	of	ADP
eurjchem-2602	262	11	presence	presence	NOUN
eurjchem-2602	262	12	of	of	ADP
eurjchem-2602	262	13	the	the	DET
eurjchem-2602	262	14	iodine	iodine	NOUN
eurjchem-2602	262	15	ion	ion	NOUN
eurjchem-2602	262	16	and	and	CCONJ
eurjchem-2602	262	17	water	water	NOUN
eurjchem-2602	262	18	in	in	ADP
eurjchem-2602	262	19	the	the	DET
eurjchem-2602	262	20	molecular	molecular	ADJ
eurjchem-2602	262	21	structure	structure	NOUN
eurjchem-2602	262	22	of	of	ADP
eurjchem-2602	262	23	dbziw	dbziw	ADJ
eurjchem-2602	262	24	,	,	PUNCT
eurjchem-2602	262	25	we	we	PRON
eurjchem-2602	262	26	optimized	optimize	VERB
eurjchem-2602	262	27	the	the	DET
eurjchem-2602	262	28	structures	structure	NOUN
eurjchem-2602	262	29	(	(	PUNCT
eurjchem-2602	262	30	dbziw	dbziw	ADJ
eurjchem-2602	262	31	,	,	PUNCT
eurjchem-2602	262	32	dbz	dbz	PROPN
eurjchem-2602	262	33	,	,	PUNCT
eurjchem-2602	262	34	dbzi	dbzi	NOUN
eurjchem-2602	262	35	,	,	PUNCT
eurjchem-2602	262	36	and	and	CCONJ
eurjchem-2602	262	37	dbzw	dbzw	NOUN
eurjchem-2602	262	38	)	)	PUNCT
eurjchem-2602	262	39	using	use	VERB
eurjchem-2602	262	40	dft	dft	NOUN
eurjchem-2602	262	41	methods	method	NOUN
eurjchem-2602	262	42	.	.	PUNCT
eurjchem-2602	263	1	the	the	DET
eurjchem-2602	263	2	iodine	iodine	NOUN
eurjchem-2602	263	3	atom	atom	NOUN
eurjchem-2602	263	4	has	have	VERB
eurjchem-2602	263	5	the	the	DET
eurjchem-2602	263	6	largest	large	ADJ
eurjchem-2602	263	7	negative	negative	ADJ
eurjchem-2602	263	8	charge	charge	NOUN
eurjchem-2602	263	9	in	in	ADP
eurjchem-2602	263	10	the	the	DET
eurjchem-2602	263	11	entire	entire	ADJ
eurjchem-2602	263	12	molecule	molecule	NOUN
eurjchem-2602	263	13	,	,	PUNCT
eurjchem-2602	263	14	according	accord	VERB
eurjchem-2602	263	15	to	to	ADP
eurjchem-2602	263	16	an	an	DET
eurjchem-2602	263	17	analysis	analysis	NOUN
eurjchem-2602	263	18	of	of	ADP
eurjchem-2602	263	19	mulliken	mulliken	ADJ
eurjchem-2602	263	20	charge	charge	NOUN
eurjchem-2602	263	21	distributions	distribution	NOUN
eurjchem-2602	263	22	,	,	PUNCT
eurjchem-2602	263	23	which	which	PRON
eurjchem-2602	263	24	may	may	AUX
eurjchem-2602	263	25	have	have	AUX
eurjchem-2602	263	26	led	lead	VERB
eurjchem-2602	263	27	to	to	ADP
eurjchem-2602	263	28	the	the	DET
eurjchem-2602	263	29	occurrence	occurrence	NOUN
eurjchem-2602	263	30	of	of	ADP
eurjchem-2602	263	31	interactions	interaction	NOUN
eurjchem-2602	263	32	involving	involve	VERB
eurjchem-2602	263	33	a	a	DET
eurjchem-2602	263	34	particular	particular	ADJ
eurjchem-2602	263	35	atom	atom	NOUN
eurjchem-2602	263	36	of	of	ADP
eurjchem-2602	263	37	the	the	DET
eurjchem-2602	263	38	molecule	molecule	NOUN
eurjchem-2602	263	39	.	.	PUNCT
eurjchem-2602	264	1	the	the	DET
eurjchem-2602	264	2	homo	homo	NOUN
eurjchem-2602	264	3	-	-	PUNCT
eurjchem-2602	264	4	lumo	lumo	NOUN
eurjchem-2602	264	5	orbital	orbital	ADJ
eurjchem-2602	264	6	analysis	analysis	NOUN
eurjchem-2602	264	7	and	and	CCONJ
eurjchem-2602	264	8	the	the	DET
eurjchem-2602	264	9	energy	energy	NOUN
eurjchem-2602	264	10	band	band	NOUN
eurjchem-2602	264	11	gap	gap	NOUN
eurjchem-2602	264	12	demonstrated	demonstrate	VERB
eurjchem-2602	264	13	charge	charge	NOUN
eurjchem-2602	264	14	transfer	transfer	NOUN
eurjchem-2602	264	15	within	within	ADP
eurjchem-2602	264	16	the	the	DET
eurjchem-2602	264	17	molecule	molecule	NOUN
eurjchem-2602	264	18	,	,	PUNCT
eurjchem-2602	264	19	and	and	CCONJ
eurjchem-2602	264	20	the	the	DET
eurjchem-2602	264	21	computed	compute	VERB
eurjchem-2602	264	22	lowest	low	ADJ
eurjchem-2602	264	23	homo	homo	NOUN
eurjchem-2602	264	24	-	-	PUNCT
eurjchem-2602	264	25	lumo	lumo	NOUN
eurjchem-2602	264	26	band	band	NOUN
eurjchem-2602	264	27	gap	gap	NOUN
eurjchem-2602	264	28	for	for	ADP
eurjchem-2602	264	29	the	the	DET
eurjchem-2602	264	30	molecule	molecule	NOUN
eurjchem-2602	264	31	dbziw	dbziw	ADV
eurjchem-2602	264	32	indicates	indicate	VERB
eurjchem-2602	264	33	intriguing	intriguing	ADJ
eurjchem-2602	264	34	electronic	electronic	ADJ
eurjchem-2602	264	35	properties	property	NOUN
eurjchem-2602	264	36	.	.	PUNCT
eurjchem-2602	265	1	the	the	DET
eurjchem-2602	265	2	thyroid	thyroid	NOUN
eurjchem-2602	265	3	-	-	PUNCT
eurjchem-2602	265	4	stimulating	stimulate	VERB
eurjchem-2602	265	5	hormone	hormone	NOUN
eurjchem-2602	265	6	receptor	receptor	NOUN
eurjchem-2602	265	7	(	(	PUNCT
eurjchem-2602	265	8	tshr	tshr	NOUN
eurjchem-2602	265	9	)	)	PUNCT
eurjchem-2602	265	10	(	(	PUNCT
eurjchem-2602	265	11	pdb	pdb	PROPN
eurjchem-2602	265	12	ids	id	NOUN
eurjchem-2602	265	13	2xw7	2xw7	NUM
eurjchem-2602	265	14	,	,	PUNCT
eurjchem-2602	265	15	4qt5	4qt5	NUM
eurjchem-2602	265	16	,	,	PUNCT
eurjchem-2602	265	17	and	and	CCONJ
eurjchem-2602	265	18	7xw7	7xw7	NUM
eurjchem-2602	265	19	)	)	PUNCT
eurjchem-2602	265	20	was	be	AUX
eurjchem-2602	265	21	selected	select	VERB
eurjchem-2602	265	22	for	for	ADP
eurjchem-2602	265	23	molecular	molecular	ADJ
eurjchem-2602	265	24	docking	docking	NOUN
eurjchem-2602	265	25	analysis	analysis	NOUN
eurjchem-2602	265	26	,	,	PUNCT
eurjchem-2602	265	27	revealing	reveal	VERB
eurjchem-2602	265	28	a	a	DET
eurjchem-2602	265	29	better	well	ADJ
eurjchem-2602	265	30	docking	docking	NOUN
eurjchem-2602	265	31	score	score	NOUN
eurjchem-2602	265	32	for	for	ADP
eurjchem-2602	265	33	the	the	DET
eurjchem-2602	265	34	benzimidazole	benzimidazole	ADJ
eurjchem-2602	265	35	derivative	derivative	ADJ
eurjchem-2602	265	36	(	(	PUNCT
eurjchem-2602	265	37	dbzwi	dbzwi	PROPN
eurjchem-2602	265	38	)	)	PUNCT
eurjchem-2602	265	39	with	with	ADP
eurjchem-2602	265	40	the	the	DET
eurjchem-2602	265	41	4qt5	4qt5	NUM
eurjchem-2602	265	42	protein	protein	NOUN
eurjchem-2602	265	43	crystal	crystal	NOUN
eurjchem-2602	265	44	,	,	PUNCT
eurjchem-2602	265	45	suggesting	suggest	VERB
eurjchem-2602	265	46	more	more	ADJ
eurjchem-2602	265	47	advantages	advantage	NOUN
eurjchem-2602	265	48	for	for	ADP
eurjchem-2602	265	49	further	further	ADJ
eurjchem-2602	265	50	pharmacological	pharmacological	ADJ
eurjchem-2602	265	51	applications	application	NOUN
eurjchem-2602	265	52	,	,	PUNCT
eurjchem-2602	265	53	especially	especially	ADV
eurjchem-2602	265	54	for	for	ADP
eurjchem-2602	265	55	the	the	DET
eurjchem-2602	265	56	iodine	iodine	NOUN
eurjchem-2602	265	57	molecule	molecule	NOUN
eurjchem-2602	265	58	.	.	PUNCT
eurjchem-2602	266	1	acknowledgements	acknowledgement	NOUN
eurjchem-2602	266	2	we	we	PRON
eurjchem-2602	266	3	thank	thank	VERB
eurjchem-2602	266	4	the	the	DET
eurjchem-2602	266	5	department	department	PROPN
eurjchem-2602	266	6	of	of	ADP
eurjchem-2602	266	7	science	science	NOUN
eurjchem-2602	266	8	and	and	CCONJ
eurjchem-2602	266	9	technology	technology	NOUN
eurjchem-2602	266	10	(	(	PUNCT
eurjchem-2602	266	11	dst	dst	PROPN
eurjchem-2602	266	12	)	)	PUNCT
eurjchem-2602	266	13	,	,	PUNCT
eurjchem-2602	266	14	new	new	ADJ
eurjchem-2602	266	15	delhi	delhi	PROPN
eurjchem-2602	266	16	for	for	ADP
eurjchem-2602	266	17	supporting	support	VERB
eurjchem-2602	266	18	the	the	DET
eurjchem-2602	266	19	fund	fund	NOUN
eurjchem-2602	266	20	for	for	ADP
eurjchem-2602	266	21	improvement	improvement	NOUN
eurjchem-2602	266	22	of	of	ADP
eurjchem-2602	266	23	s&t	s&t	PROPN
eurjchem-2602	266	24	infrastructure	infrastructure	NOUN
eurjchem-2602	266	25	in	in	ADP
eurjchem-2602	266	26	universities	university	NOUN
eurjchem-2602	266	27	and	and	CCONJ
eurjchem-2602	266	28	higher	high	ADJ
eurjchem-2602	266	29	educational	educational	ADJ
eurjchem-2602	266	30	institutions	institution	NOUN
eurjchem-2602	266	31	(	(	PUNCT
eurjchem-2602	266	32	fist	fist	NOUN
eurjchem-2602	266	33	)	)	PUNCT
eurjchem-2602	266	34	project	project	NOUN
eurjchem-2602	266	35	at	at	ADP
eurjchem-2602	266	36	the	the	DET
eurjchem-2602	266	37	department	department	PROPN
eurjchem-2602	266	38	of	of	ADP
eurjchem-2602	266	39	physics	physics	PROPN
eurjchem-2602	266	40	,	,	PUNCT
eurjchem-2602	266	41	sardar	sardar	PROPN
eurjchem-2602	266	42	patel	patel	PROPN
eurjchem-2602	266	43	university	university	PROPN
eurjchem-2602	266	44	,	,	PUNCT
eurjchem-2602	266	45	vallabh	vallabh	NOUN
eurjchem-2602	266	46	vidyanagar	vidyanagar	NOUN
eurjchem-2602	266	47	,	,	PUNCT
eurjchem-2602	266	48	gujarat	gujarat	NOUN
eurjchem-2602	266	49	,	,	PUNCT
eurjchem-2602	266	50	india	india	PROPN
eurjchem-2602	266	51	,	,	PUNCT
eurjchem-2602	266	52	by	by	ADP
eurjchem-2602	266	53	providing	provide	VERB
eurjchem-2602	266	54	the	the	DET
eurjchem-2602	266	55	single	single	ADJ
eurjchem-2602	266	56	-	-	PUNCT
eurjchem-2602	266	57	crystal	crystal	NOUN
eurjchem-2602	266	58	x	x	ADJ
eurjchem-2602	266	59	-	-	NOUN
eurjchem-2602	266	60	ray	ray	NOUN
eurjchem-2602	266	61	diffractometer	diffractometer	NOUN
eurjchem-2602	266	62	(	(	PUNCT
eurjchem-2602	266	63	kappa	kappa	PROPN
eurjchem-2602	266	64	apex	apex	PROPN
eurjchem-2602	266	65	-ii	-ii	PUNCT
eurjchem-2602	266	66	)	)	PUNCT
eurjchem-2602	266	67	equipment	equipment	NOUN
eurjchem-2602	266	68	.	.	PUNCT
eurjchem-2602	267	1	supporting	support	VERB
eurjchem-2602	267	2	information	information	NOUN
eurjchem-2602	267	3	ccdc-1508765	ccdc-1508765	PROPN
eurjchem-2602	267	4	contains	contain	VERB
eurjchem-2602	267	5	the	the	DET
eurjchem-2602	267	6	supplementary	supplementary	ADJ
eurjchem-2602	267	7	crystallographic	crystallographic	ADJ
eurjchem-2602	267	8	data	datum	NOUN
eurjchem-2602	267	9	for	for	ADP
eurjchem-2602	267	10	the	the	DET
eurjchem-2602	267	11	compound	compound	NOUN
eurjchem-2602	267	12	.	.	PUNCT
eurjchem-2602	268	1	these	these	DET
eurjchem-2602	268	2	data	datum	NOUN
eurjchem-2602	268	3	can	can	AUX
eurjchem-2602	268	4	be	be	AUX
eurjchem-2602	268	5	obtained	obtain	VERB
eurjchem-2602	268	6	free	free	ADJ
eurjchem-2602	268	7	of	of	ADP
eurjchem-2602	268	8	charge	charge	NOUN
eurjchem-2602	268	9	via	via	ADP
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eurjchem-2602	268	11	,	,	PUNCT
eurjchem-2602	268	12	or	or	CCONJ
eurjchem-2602	268	13	from	from	ADP
eurjchem-2602	268	14	the	the	DET
eurjchem-2602	268	15	cambridge	cambridge	PROPN
eurjchem-2602	268	16	crystallographic	crystallographic	PROPN
eurjchem-2602	268	17	data	data	PROPN
eurjchem-2602	268	18	centre	centre	NOUN
eurjchem-2602	268	19	,	,	PUNCT
eurjchem-2602	268	20	12	12	NUM
eurjchem-2602	268	21	union	union	NOUN
eurjchem-2602	268	22	road	road	NOUN
eurjchem-2602	268	23	,	,	PUNCT
eurjchem-2602	268	24	cambridge	cambridge	PROPN
eurjchem-2602	268	25	cb2	cb2	PROPN
eurjchem-2602	268	26	1ez	1ez	PROPN
eurjchem-2602	268	27	,	,	PUNCT
eurjchem-2602	268	28	uk;fax	uk;fax	PROPN
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eurjchem-2602	268	30	(	(	PUNCT
eurjchem-2602	268	31	+44	+44	NOUN
eurjchem-2602	268	32	)	)	PUNCT
eurjchem-2602	268	33	1223	1223	NUM
eurjchem-2602	268	34	-	-	PUNCT
eurjchem-2602	268	35	336	336	NUM
eurjchem-2602	268	36	-	-	NUM
eurjchem-2602	268	37	033	033	NUM
eurjchem-2602	268	38	;	;	PUNCT
eurjchem-2602	268	39	or	or	CCONJ
eurjchem-2602	268	40	e	e	NOUN
eurjchem-2602	268	41	-	-	NOUN
eurjchem-2602	268	42	mail	mail	NOUN
eurjchem-2602	268	43	:	:	PUNCT
eurjchem-2602	268	44	deposit@ccdc.cam.ac.uk	deposit@ccdc.cam.ac.uk	PROPN
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eurjchem-2602	268	46	disclosure	disclosure	NOUN
eurjchem-2602	268	47	statement	statement	NOUN
eurjchem-2602	268	48	conflict	conflict	NOUN
eurjchem-2602	268	49	of	of	ADP
eurjchem-2602	268	50	interest	interest	NOUN
eurjchem-2602	268	51	:	:	PUNCT
eurjchem-2602	268	52	the	the	DET
eurjchem-2602	268	53	authors	author	NOUN
eurjchem-2602	268	54	declare	declare	VERB
eurjchem-2602	268	55	that	that	SCONJ
eurjchem-2602	268	56	they	they	PRON
eurjchem-2602	268	57	have	have	VERB
eurjchem-2602	268	58	no	no	DET
eurjchem-2602	268	59	conflict	conflict	NOUN
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eurjchem-2602	268	61	interest	interest	NOUN
eurjchem-2602	268	62	.	.	PUNCT
eurjchem-2602	269	1	ethical	ethical	ADJ
eurjchem-2602	269	2	approval	approval	NOUN
eurjchem-2602	269	3	:	:	PUNCT
eurjchem-2602	270	1	all	all	DET
eurjchem-2602	270	2	ethical	ethical	ADJ
eurjchem-2602	270	3	guidelines	guideline	NOUN
eurjchem-2602	270	4	have	have	AUX
eurjchem-2602	270	5	been	be	AUX
eurjchem-2602	270	6	adhered	adhere	VERB
eurjchem-2602	270	7	.	.	PUNCT
eurjchem-2602	271	1	sample	sample	NOUN
eurjchem-2602	271	2	availability	availability	NOUN
eurjchem-2602	271	3	:	:	PUNCT
eurjchem-2602	271	4	samples	sample	NOUN
eurjchem-2602	271	5	of	of	ADP
eurjchem-2602	271	6	the	the	DET
eurjchem-2602	271	7	compounds	compound	NOUN
eurjchem-2602	271	8	are	be	AUX
eurjchem-2602	271	9	available	available	ADJ
eurjchem-2602	271	10	from	from	ADP
eurjchem-2602	271	11	the	the	DET
eurjchem-2602	271	12	author	author	NOUN
eurjchem-2602	271	13	.	.	PUNCT
eurjchem-2602	272	1	credit	credit	NOUN
eurjchem-2602	272	2	authorship	authorship	NOUN
eurjchem-2602	272	3	contribution	contribution	NOUN
eurjchem-2602	272	4	statement	statement	NOUN
eurjchem-2602	272	5	conceptualization	conceptualization	NOUN
eurjchem-2602	272	6	:	:	PUNCT
eurjchem-2602	272	7	urmila	urmila	PROPN
eurjchem-2602	272	8	patel	patel	PROPN
eurjchem-2602	272	9	,	,	PUNCT
eurjchem-2602	272	10	sahajkumar	sahajkumar	PROPN
eurjchem-2602	272	11	anilkumar	anilkumar	PROPN
eurjchem-2602	272	12	gandhi	gandhi	PROPN
eurjchem-2602	272	13	;	;	PUNCT
eurjchem-2602	272	14	saurabh	saurabh	PROPN
eurjchem-2602	272	15	soni	soni	PROPN
eurjchem-2602	272	16	;	;	PUNCT
eurjchem-2602	272	17	methodology	methodology	NOUN
eurjchem-2602	272	18	:	:	PUNCT
eurjchem-2602	272	19	sahajkumar	sahajkumar	PROPN
eurjchem-2602	272	20	anilkumar	anilkumar	PROPN
eurjchem-2602	272	21	gandhi	gandhi	PROPN
eurjchem-2602	272	22	,	,	PUNCT
eurjchem-2602	272	23	deepali	deepali	PROPN
eurjchem-2602	272	24	kotadia	kotadia	PROPN
eurjchem-2602	272	25	;	;	PUNCT
eurjchem-2602	272	26	software	software	NOUN
eurjchem-2602	272	27	:	:	PUNCT
eurjchem-2602	272	28	urmila	urmila	PROPN
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eurjchem-2602	272	31	sahajkumar	sahajkumar	PROPN
eurjchem-2602	272	32	anilkumar	anilkumar	PROPN
eurjchem-2602	272	33	gandhi	gandhi	PROPN
eurjchem-2602	272	34	;	;	PUNCT
eurjchem-2602	272	35	validation	validation	NOUN
eurjchem-2602	272	36	:	:	PUNCT
eurjchem-2602	272	37	sahajkumar	sahajkumar	PROPN
eurjchem-2602	272	38	anilkumar	anilkumar	PROPN
eurjchem-2602	272	39	gandhi	gandhi	PROPN
eurjchem-2602	272	40	,	,	PUNCT
eurjchem-2602	272	41	deepali	deepali	PROPN
eurjchem-2602	272	42	kotadia	kotadia	PROPN
eurjchem-2602	272	43	;	;	PUNCT
eurjchem-2602	272	44	formal	formal	ADJ
eurjchem-2602	272	45	analysis	analysis	NOUN
eurjchem-2602	272	46	:	:	PUNCT
eurjchem-2602	272	47	sahajkumar	sahajkumar	PROPN
eurjchem-2602	272	48	anilkumar	anilkumar	PROPN
eurjchem-2602	272	49	gandhi	gandhi	PROPN
eurjchem-2602	272	50	,	,	PUNCT
eurjchem-2602	272	51	deepali	deepali	PROPN
eurjchem-2602	272	52	kotadia	kotadia	PROPN
eurjchem-2602	272	53	,	,	PUNCT
eurjchem-2602	272	54	saurabh	saurabh	PROPN
eurjchem-2602	272	55	soni	soni	PROPN
eurjchem-2602	272	56	;	;	PUNCT
eurjchem-2602	272	57	investigation	investigation	NOUN
eurjchem-2602	272	58	:	:	PUNCT
eurjchem-2602	272	59	sahajkumar	sahajkumar	PROPN
eurjchem-2602	272	60	anilkumar	anilkumar	PROPN
eurjchem-2602	272	61	gandhi	gandhi	PROPN
eurjchem-2602	272	62	,	,	PUNCT
eurjchem-2602	272	63	deepali	deepali	PROPN
eurjchem-2602	272	64	kotadia	kotadia	PROPN
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eurjchem-2602	272	66	saurabh	saurabh	PROPN
eurjchem-2602	272	67	soni	soni	PROPN
eurjchem-2602	272	68	;	;	PUNCT
eurjchem-2602	272	69	resources	resource	NOUN
eurjchem-2602	272	70	:	:	PUNCT
eurjchem-2602	272	71	sahajkumar	sahajkumar	PROPN
eurjchem-2602	272	72	anilkumar	anilkumar	PROPN
eurjchem-2602	272	73	gandhi	gandhi	PROPN
eurjchem-2602	272	74	,	,	PUNCT
eurjchem-2602	272	75	deepali	deepali	PROPN
eurjchem-2602	272	76	kotadia	kotadia	PROPN
eurjchem-2602	272	77	;	;	PUNCT
eurjchem-2602	272	78	data	datum	NOUN
eurjchem-2602	272	79	curation	curation	NOUN
eurjchem-2602	272	80	:	:	PUNCT
eurjchem-2602	272	81	sahajkumar	sahajkumar	PROPN
eurjchem-2602	272	82	anilkumar	anilkumar	PROPN
eurjchem-2602	272	83	gandhi	gandhi	PROPN
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eurjchem-2602	272	86	kotadia	kotadia	PROPN
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eurjchem-2602	272	89	original	original	ADJ
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eurjchem-2602	272	91	:	:	PUNCT
eurjchem-2602	272	92	sahajkumar	sahajkumar	PROPN
eurjchem-2602	272	93	anilkumar	anilkumar	PROPN
eurjchem-2602	272	94	gandhi	gandhi	PROPN
eurjchem-2602	272	95	;	;	PUNCT
eurjchem-2602	272	96	writing	write	VERB
eurjchem-2602	272	97	review	review	NOUN
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eurjchem-2602	272	105	urmila	urmila	PROPN
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eurjchem-2602	272	118	patel	patel	PROPN
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eurjchem-2602	272	121	soni	soni	PROPN
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eurjchem-2602	272	127	,	,	PUNCT
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eurjchem-2602	272	129	anilkumar	anilkumar	PROPN
eurjchem-2602	272	130	gandhi	gandhi	PROPN
eurjchem-2602	272	131	;	;	PUNCT
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eurjchem-2602	273	6	gandhi	gandhi	PROPN
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eurjchem-2602	274	6	urmila	urmila	PROPN
eurjchem-2602	274	7	patel	patel	PROPN
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eurjchem-2602	277	4	mailto:u_h_patel@yahoo.com	mailto:u_h_patel@yahoo.com	PROPN
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eurjchem-2602	278	17	)	)	PUNCT
eurjchem-2602	278	18	(	(	PUNCT
eurjchem-2602	278	19	2025	2025	NUM
eurjchem-2602	278	20	)	)	PUNCT
eurjchem-2602	278	21	7	7	NUM
eurjchem-2602	278	22	-	-	SYM
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eurjchem-2602	278	25	–	–	PUNCT
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eurjchem-2602	278	33	nc	nc	PROPN
eurjchem-2602	278	34	–	–	PUNCT
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eurjchem-2602	278	43	[	[	X
eurjchem-2602	278	44	1	1	NUM
eurjchem-2602	278	45	]	]	PUNCT
eurjchem-2602	278	46	.	.	PUNCT
eurjchem-2602	279	1	ayhan	ayhan	PROPN
eurjchem-2602	279	2	-	-	PUNCT
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eurjchem-2602	279	4	,	,	PUNCT
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eurjchem-2602	279	10	;	;	PUNCT
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eurjchem-2602	279	12	,	,	PUNCT
eurjchem-2602	279	13	t.	t.	PROPN
eurjchem-2602	279	14	;	;	PUNCT
eurjchem-2602	279	15	can	can	AUX
eurjchem-2602	279	16	-	-	PUNCT
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eurjchem-2602	279	24	synthesis	synthesis	NOUN
eurjchem-2602	279	25	and	and	CCONJ
eurjchem-2602	279	26	antioxidant	antioxidant	ADJ
eurjchem-2602	279	27	properties	property	NOUN
eurjchem-2602	279	28	of	of	ADP
eurjchem-2602	279	29	novel	novel	ADJ
eurjchem-2602	279	30	benzimidazole	benzimidazole	ADJ
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eurjchem-2602	279	32	.	.	PUNCT
eurjchem-2602	280	1	j.	j.	PROPN
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eurjchem-2602	280	3	inhib	inhib	NOUN
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eurjchem-2602	281	2	.	.	PROPN
eurjchem-2602	281	3	chem	chem	PROPN
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eurjchem-2602	282	1	2004	2004	NUM
eurjchem-2602	282	2	,	,	PUNCT
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eurjchem-2602	282	6	)	)	PUNCT
eurjchem-2602	282	7	,	,	PUNCT
eurjchem-2602	282	8	129–135	129–135	NUM
eurjchem-2602	282	9	.	.	PUNCT
eurjchem-2602	283	1	[	[	X
eurjchem-2602	283	2	2	2	NUM
eurjchem-2602	283	3	]	]	PUNCT
eurjchem-2602	283	4	.	.	PUNCT
eurjchem-2602	284	1	kuş	kuş	PROPN
eurjchem-2602	284	2	,	,	PUNCT
eurjchem-2602	284	3	c.	c.	PROPN
eurjchem-2602	284	4	;	;	PUNCT
eurjchem-2602	284	5	sözüdönmez	sözüdönmez	NOUN
eurjchem-2602	284	6	,	,	PUNCT
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eurjchem-2602	284	8	;	;	PUNCT
eurjchem-2602	284	9	can	can	AUX
eurjchem-2602	284	10	-	-	PUNCT
eurjchem-2602	284	11	eke	eke	VERB
eurjchem-2602	284	12	,	,	PUNCT
eurjchem-2602	284	13	b.	b.	PROPN
eurjchem-2602	284	14	;	;	PUNCT
eurjchem-2602	284	15	çoban	çoban	PROPN
eurjchem-2602	284	16	,	,	PUNCT
eurjchem-2602	284	17	t.	t.	NOUN
eurjchem-2602	284	18	antioxidant	antioxidant	ADJ
eurjchem-2602	284	19	and	and	CCONJ
eurjchem-2602	284	20	antifungal	antifungal	ADJ
eurjchem-2602	284	21	properties	property	NOUN
eurjchem-2602	284	22	of	of	ADP
eurjchem-2602	284	23	benzimidazole	benzimidazole	ADJ
eurjchem-2602	284	24	derivatives	derivative	NOUN
eurjchem-2602	284	25	.	.	PUNCT
eurjchem-2602	285	1	z.	z.	PROPN
eurjchem-2602	285	2	fã¼r	fã¼r	PROPN
eurjchem-2602	285	3	naturforsch	naturforsch	PROPN
eurjchem-2602	285	4	.	.	PUNCT
eurjchem-2602	286	1	c	c	NOUN
eurjchem-2602	286	2	2010	2010	NUM
eurjchem-2602	286	3	,	,	PUNCT
eurjchem-2602	286	4	65	65	NUM
eurjchem-2602	286	5	(	(	PUNCT
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eurjchem-2602	286	7	-	-	SYM
eurjchem-2602	286	8	10	10	NUM
eurjchem-2602	286	9	)	)	PUNCT
eurjchem-2602	286	10	,	,	PUNCT
eurjchem-2602	286	11	537–542	537–542	NUM
eurjchem-2602	286	12	.	.	PUNCT
eurjchem-2602	287	1	[	[	X
eurjchem-2602	287	2	3	3	NUM
eurjchem-2602	287	3	]	]	PUNCT
eurjchem-2602	287	4	.	.	PUNCT
eurjchem-2602	287	5	rao	rao	PROPN
eurjchem-2602	287	6	,	,	PUNCT
eurjchem-2602	287	7	h.	h.	PROPN
eurjchem-2602	287	8	s.	s.	PROPN
eurjchem-2602	287	9	;	;	PUNCT
eurjchem-2602	287	10	vasantham	vasantham	PROPN
eurjchem-2602	287	11	,	,	PUNCT
eurjchem-2602	287	12	k.	k.	PROPN
eurjchem-2602	287	13	nitroketene	nitroketene	PROPN
eurjchem-2602	287	14	dithioacetal	dithioacetal	ADJ
eurjchem-2602	287	15	chemistry	chemistry	NOUN
eurjchem-2602	287	16	:	:	PUNCT
eurjchem-2602	287	17	synthesis	synthesis	NOUN
eurjchem-2602	287	18	of	of	ADP
eurjchem-2602	287	19	coumarins	coumarin	NOUN
eurjchem-2602	287	20	incorporating	incorporate	VERB
eurjchem-2602	287	21	nitrothiophene	nitrothiophene	ADJ
eurjchem-2602	287	22	moiety	moiety	NOUN
eurjchem-2602	287	23	.	.	PUNCT
eurjchem-2602	288	1	j.	j.	PROPN
eurjchem-2602	288	2	chem	chem	PROPN
eurjchem-2602	288	3	sci	sci	PROPN
eurjchem-2602	288	4	2011	2011	NUM
eurjchem-2602	288	5	,	,	PUNCT
eurjchem-2602	288	6	123	123	NUM
eurjchem-2602	288	7	(	(	PUNCT
eurjchem-2602	288	8	4	4	NUM
eurjchem-2602	288	9	)	)	PUNCT
eurjchem-2602	288	10	,	,	PUNCT
eurjchem-2602	288	11	411–420	411–420	NUM
eurjchem-2602	288	12	.	.	PUNCT
eurjchem-2602	289	1	[	[	X
eurjchem-2602	289	2	4	4	NUM
eurjchem-2602	289	3	]	]	PUNCT
eurjchem-2602	289	4	.	.	PUNCT
eurjchem-2602	289	5	ates	ates	PROPN
eurjchem-2602	289	6	-	-	PUNCT
eurjchem-2602	289	7	alagoz	alagoz	PROPN
eurjchem-2602	289	8	,	,	PUNCT
eurjchem-2602	289	9	z.	z.	PROPN
eurjchem-2602	289	10	antioxidant	antioxidant	ADJ
eurjchem-2602	289	11	activities	activity	NOUN
eurjchem-2602	289	12	of	of	ADP
eurjchem-2602	289	13	retinoidal	retinoidal	NOUN
eurjchem-2602	289	14	benzimidazole	benzimidazole	NOUN
eurjchem-2602	289	15	or	or	CCONJ
eurjchem-2602	289	16	indole	indole	ADJ
eurjchem-2602	289	17	derivatives	derivative	NOUN
eurjchem-2602	289	18	in	in	ADV
eurjchem-2602	289	19	in	in	ADP
eurjchem-2602	289	20	vitro	vitro	X
eurjchem-2602	289	21	model	model	NOUN
eurjchem-2602	289	22	systems	system	NOUN
eurjchem-2602	289	23	.	.	PUNCT
eurjchem-2602	290	1	cmc	cmc	PROPN
eurjchem-2602	290	2	.	.	PROPN
eurjchem-2602	290	3	2013	2013	NUM
eurjchem-2602	290	4	,	,	PUNCT
eurjchem-2602	290	5	20	20	NUM
eurjchem-2602	290	6	(	(	PUNCT
eurjchem-2602	290	7	36	36	NUM
eurjchem-2602	290	8	)	)	PUNCT
eurjchem-2602	290	9	,	,	PUNCT
eurjchem-2602	290	10	4633–4639	4633–4639	NUM
eurjchem-2602	290	11	.	.	PUNCT
eurjchem-2602	291	1	[	[	X
eurjchem-2602	291	2	5	5	NUM
eurjchem-2602	291	3	]	]	PUNCT
eurjchem-2602	291	4	.	.	PUNCT
eurjchem-2602	292	1	ayhan	ayhan	PROPN
eurjchem-2602	292	2	-	-	PUNCT
eurjchem-2602	292	3	kilcigil	kilcigil	PROPN
eurjchem-2602	292	4	,	,	PUNCT
eurjchem-2602	292	5	g.	g.	PROPN
eurjchem-2602	292	6	;	;	PUNCT
eurjchem-2602	292	7	kuş	kuş	PROPN
eurjchem-2602	292	8	,	,	PUNCT
eurjchem-2602	292	9	c.	c.	PROPN
eurjchem-2602	292	10	;	;	PUNCT
eurjchem-2602	292	11	çoban	çoban	PROPN
eurjchem-2602	292	12	,	,	PUNCT
eurjchem-2602	292	13	t.	t.	PROPN
eurjchem-2602	292	14	;	;	PUNCT
eurjchem-2602	292	15	özdamar	özdamar	PROPN
eurjchem-2602	292	16	,	,	PUNCT
eurjchem-2602	292	17	e.	e.	PROPN
eurjchem-2602	292	18	d.	d.	PROPN
eurjchem-2602	292	19	;	;	PUNCT
eurjchem-2602	292	20	can	can	AUX
eurjchem-2602	292	21	-	-	PUNCT
eurjchem-2602	292	22	eke	eke	ADJ
eurjchem-2602	292	23	,	,	PUNCT
eurjchem-2602	292	24	b.	b.	NOUN
eurjchem-2602	292	25	identification	identification	NOUN
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eurjchem-2602	292	27	a	a	DET
eurjchem-2602	292	28	novel	novel	ADJ
eurjchem-2602	292	29	series	series	NOUN
eurjchem-2602	292	30	of	of	ADP
eurjchem-2602	292	31	n	n	CCONJ
eurjchem-2602	292	32	-	-	PUNCT
eurjchem-2602	292	33	phenyl-5-[(2	phenyl-5-[(2	NOUN
eurjchem-2602	292	34	-	-	PUNCT
eurjchem-2602	292	35	phenyl	phenyl	NOUN
eurjchem-2602	292	36	benzimidazol-1	benzimidazol-1	PROPN
eurjchem-2602	292	37	-	-	PUNCT
eurjchem-2602	292	38	yl)methyl]-1,3,4	yl)methyl]-1,3,4	NOUN
eurjchem-2602	292	39	-	-	PUNCT
eurjchem-2602	292	40	oxadiazol-2	oxadiazol-2	NUM
eurjchem-2602	292	41	-	-	PUNCT
eurjchem-2602	292	42	amines	amine	NOUN
eurjchem-2602	292	43	as	as	ADP
eurjchem-2602	292	44	potent	potent	ADJ
eurjchem-2602	292	45	antioxidants	antioxidant	NOUN
eurjchem-2602	292	46	and	and	CCONJ
eurjchem-2602	292	47	radical	radical	ADJ
eurjchem-2602	292	48	scavengers	scavenger	NOUN
eurjchem-2602	292	49	.	.	PUNCT
eurjchem-2602	293	1	arch	arch	NOUN
eurjchem-2602	293	2	.	.	PUNCT
eurjchem-2602	294	1	pharm	pharm	NOUN
eurjchem-2602	294	2	.	.	PUNCT
eurjchem-2602	295	1	2014	2014	NUM
eurjchem-2602	295	2	,	,	PUNCT
eurjchem-2602	295	3	347	347	NUM
eurjchem-2602	295	4	(	(	PUNCT
eurjchem-2602	295	5	4	4	NUM
eurjchem-2602	295	6	)	)	PUNCT
eurjchem-2602	295	7	,	,	PUNCT
eurjchem-2602	295	8	276–282	276–282	NUM
eurjchem-2602	295	9	.	.	PUNCT
eurjchem-2602	296	1	[	[	X
eurjchem-2602	296	2	6	6	NUM
eurjchem-2602	296	3	]	]	PUNCT
eurjchem-2602	296	4	.	.	PUNCT
eurjchem-2602	296	5	cao	cao	PROPN
eurjchem-2602	296	6	,	,	PUNCT
eurjchem-2602	296	7	q.	q.	PROPN
eurjchem-2602	296	8	;	;	PUNCT
eurjchem-2602	296	9	xie	xie	PROPN
eurjchem-2602	296	10	,	,	PUNCT
eurjchem-2602	296	11	z.	z.	PROPN
eurjchem-2602	296	12	;	;	PUNCT
eurjchem-2602	296	13	dong	dong	PROPN
eurjchem-2602	296	14	,	,	PUNCT
eurjchem-2602	296	15	q.	q.	PROPN
eurjchem-2602	296	16	;	;	PUNCT
eurjchem-2602	296	17	ma	ma	PROPN
eurjchem-2602	296	18	,	,	PUNCT
eurjchem-2602	296	19	q.	q.	PROPN
eurjchem-2602	296	20	;	;	PUNCT
eurjchem-2602	296	21	yue	yue	PROPN
eurjchem-2602	296	22	,	,	PUNCT
eurjchem-2602	296	23	t.	t.	PROPN
eurjchem-2602	296	24	;	;	PUNCT
eurjchem-2602	296	25	wang	wang	PROPN
eurjchem-2602	296	26	,	,	PUNCT
eurjchem-2602	296	27	l.	l.	PROPN
eurjchem-2602	296	28	;	;	PUNCT
eurjchem-2602	296	29	wang	wang	PROPN
eurjchem-2602	296	30	,	,	PUNCT
eurjchem-2602	296	31	d.	d.	PROPN
eurjchem-2602	296	32	studied	study	VERB
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eurjchem-2602	296	34	highly	highly	ADV
eurjchem-2602	296	35	sensitive	sensitive	ADJ
eurjchem-2602	296	36	fluorescent	fluorescent	ADJ
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eurjchem-2602	296	38	for	for	ADP
eurjchem-2602	296	39	fe3	fe3	PROPN
eurjchem-2602	296	40	+	+	PROPN
eurjchem-2602	296	41	,	,	PUNCT
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eurjchem-2602	296	43	and	and	CCONJ
eurjchem-2602	296	44	dye	dye	NOUN
eurjchem-2602	296	45	adsorption	adsorption	NOUN
eurjchem-2602	296	46	properties	property	NOUN
eurjchem-2602	296	47	of	of	ADP
eurjchem-2602	296	48	ln	ln	ADJ
eurjchem-2602	296	49	-	-	PUNCT
eurjchem-2602	296	50	mofs	mof	NOUN
eurjchem-2602	296	51	based	base	VERB
eurjchem-2602	296	52	on	on	ADP
eurjchem-2602	296	53	benzimidazole	benzimidazole	ADJ
eurjchem-2602	296	54	carboxylic	carboxylic	ADJ
eurjchem-2602	296	55	acid	acid	NOUN
eurjchem-2602	296	56	ligand	ligand	NOUN
eurjchem-2602	296	57	.	.	PUNCT
eurjchem-2602	297	1	j.	j.	PROPN
eurjchem-2602	297	2	mol	mol	PROPN
eurjchem-2602	297	3	.	.	PROPN
eurjchem-2602	297	4	struct	struct	NOUN
eurjchem-2602	297	5	.	.	PUNCT
eurjchem-2602	298	1	2023	2023	NUM
eurjchem-2602	298	2	,	,	PUNCT
eurjchem-2602	298	3	1293	1293	NUM
eurjchem-2602	298	4	,	,	PUNCT
eurjchem-2602	298	5	136246	136246	NUM
eurjchem-2602	298	6	.	.	PUNCT
eurjchem-2602	299	1	[	[	X
eurjchem-2602	299	2	7	7	NUM
eurjchem-2602	299	3	]	]	PUNCT
eurjchem-2602	299	4	.	.	PUNCT
eurjchem-2602	299	5	sharma	sharma	PROPN
eurjchem-2602	299	6	,	,	PUNCT
eurjchem-2602	299	7	v.	v.	PROPN
eurjchem-2602	299	8	;	;	PUNCT
eurjchem-2602	299	9	banerjee	banerjee	PROPN
eurjchem-2602	299	10	,	,	PUNCT
eurjchem-2602	299	11	b.	b.	PROPN
eurjchem-2602	299	12	;	;	PUNCT
eurjchem-2602	299	13	sharma	sharma	PROPN
eurjchem-2602	299	14	,	,	PUNCT
eurjchem-2602	299	15	a.	a.	NOUN
eurjchem-2602	299	16	;	;	PUNCT
eurjchem-2602	299	17	gupta	gupta	PROPN
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eurjchem-2602	299	19	v.	v.	PROPN
eurjchem-2602	299	20	k.	k.	PROPN
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eurjchem-2602	299	22	,	,	PUNCT
eurjchem-2602	299	23	x	x	NOUN
eurjchem-2602	299	24	-	-	NOUN
eurjchem-2602	299	25	ray	ray	NOUN
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eurjchem-2602	299	28	,	,	PUNCT
eurjchem-2602	299	29	hirshfeld	hirshfeld	PROPN
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eurjchem-2602	299	32	,	,	PUNCT
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eurjchem-2602	299	35	docking	docking	NOUN
eurjchem-2602	299	36	studies	study	NOUN
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eurjchem-2602	299	44	-	-	PUNCT
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eurjchem-2602	299	46	-	-	PUNCT
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eurjchem-2602	299	48	-	-	PUNCT
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eurjchem-2602	299	50	.	.	PUNCT
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eurjchem-2602	300	2	.	.	PUNCT
eurjchem-2602	301	1	j.	j.	PROPN
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eurjchem-2602	301	3	.	.	PUNCT
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eurjchem-2602	302	2	,	,	PUNCT
eurjchem-2602	302	3	12	12	NUM
eurjchem-2602	302	4	(	(	PUNCT
eurjchem-2602	302	5	4	4	NUM
eurjchem-2602	302	6	)	)	PUNCT
eurjchem-2602	302	7	,	,	PUNCT
eurjchem-2602	302	8	382–388	382–388	NUM
eurjchem-2602	302	9	.	.	PUNCT
eurjchem-2602	303	1	[	[	X
eurjchem-2602	303	2	8	8	NUM
eurjchem-2602	303	3	]	]	PUNCT
eurjchem-2602	303	4	.	.	PUNCT
eurjchem-2602	304	1	adardour	adardour	NOUN
eurjchem-2602	304	2	,	,	PUNCT
eurjchem-2602	304	3	m.	m.	NOUN
eurjchem-2602	304	4	;	;	PUNCT
eurjchem-2602	304	5	ait	ait	NOUN
eurjchem-2602	304	6	lahcen	lahcen	NOUN
eurjchem-2602	304	7	,	,	PUNCT
eurjchem-2602	304	8	m.	m.	NOUN
eurjchem-2602	304	9	;	;	PUNCT
eurjchem-2602	304	10	oubahmane	oubahmane	NOUN
eurjchem-2602	304	11	,	,	PUNCT
eurjchem-2602	304	12	m.	m.	NOUN
eurjchem-2602	304	13	;	;	PUNCT
eurjchem-2602	304	14	ettahiri	ettahiri	NOUN
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eurjchem-2602	304	16	w.	w.	PROPN
eurjchem-2602	304	17	;	;	PUNCT
eurjchem-2602	304	18	hdoufane	hdoufane	PROPN
eurjchem-2602	304	19	,	,	PUNCT
eurjchem-2602	304	20	i.	i.	PROPN
eurjchem-2602	304	21	;	;	PUNCT
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eurjchem-2602	304	24	h.	h.	PROPN
eurjchem-2602	304	25	;	;	PUNCT
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eurjchem-2602	304	27	,	,	PUNCT
eurjchem-2602	304	28	m.	m.	NOUN
eurjchem-2602	304	29	m.	m.	NOUN
eurjchem-2602	304	30	;	;	PUNCT
eurjchem-2602	304	31	cherqaoui	cherqaoui	ADV
eurjchem-2602	304	32	,	,	PUNCT
eurjchem-2602	304	33	d.	d.	PROPN
eurjchem-2602	304	34	;	;	PUNCT
eurjchem-2602	304	35	taleb	taleb	NOUN
eurjchem-2602	304	36	,	,	PUNCT
eurjchem-2602	304	37	m.	m.	NOUN
eurjchem-2602	304	38	;	;	PUNCT
eurjchem-2602	304	39	garcia	garcia	PROPN
eurjchem-2602	304	40	,	,	PUNCT
eurjchem-2602	304	41	e.	e.	PROPN
eurjchem-2602	304	42	z.	z.	PROPN
eurjchem-2602	304	43	;	;	PUNCT
eurjchem-2602	304	44	baouid	baouid	NOUN
eurjchem-2602	304	45	,	,	PUNCT
eurjchem-2602	304	46	a.	a.	NOUN
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eurjchem-2602	304	50	,	,	PUNCT
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eurjchem-2602	304	58	pyrazole	pyrazole	NOUN
eurjchem-2602	304	59	benzimidazolone	benzimidazolone	NOUN
eurjchem-2602	304	60	derivatives	derivative	NOUN
eurjchem-2602	304	61	as	as	ADP
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eurjchem-2602	304	64	.	.	PUNCT
eurjchem-2602	305	1	pharmaceuticals	pharmaceutical	NOUN
eurjchem-2602	305	2	2023	2023	NUM
eurjchem-2602	305	3	,	,	PUNCT
eurjchem-2602	305	4	16	16	NUM
eurjchem-2602	305	5	(	(	PUNCT
eurjchem-2602	305	6	12	12	NUM
eurjchem-2602	305	7	)	)	PUNCT
eurjchem-2602	305	8	,	,	PUNCT
eurjchem-2602	305	9	1648	1648	NUM
eurjchem-2602	305	10	.	.	PUNCT
eurjchem-2602	306	1	[	[	X
eurjchem-2602	306	2	9	9	NUM
eurjchem-2602	306	3	]	]	PUNCT
eurjchem-2602	306	4	.	.	PUNCT
eurjchem-2602	306	5	ettahiri	ettahiri	PROPN
eurjchem-2602	306	6	,	,	PUNCT
eurjchem-2602	306	7	w.	w.	PROPN
eurjchem-2602	306	8	;	;	PUNCT
eurjchem-2602	306	9	salim	salim	PROPN
eurjchem-2602	306	10	,	,	PUNCT
eurjchem-2602	306	11	r.	r.	PROPN
eurjchem-2602	306	12	;	;	PUNCT
eurjchem-2602	306	13	adardour	adardour	NOUN
eurjchem-2602	306	14	,	,	PUNCT
eurjchem-2602	306	15	m.	m.	NOUN
eurjchem-2602	306	16	;	;	PUNCT
eurjchem-2602	306	17	ech	ech	PROPN
eurjchem-2602	306	18	-	-	PUNCT
eurjchem-2602	306	19	chihbi	chihbi	PROPN
eurjchem-2602	306	20	,	,	PUNCT
eurjchem-2602	306	21	e.	e.	PROPN
eurjchem-2602	306	22	;	;	PUNCT
eurjchem-2602	306	23	yunusa	yunusa	PROPN
eurjchem-2602	306	24	,	,	PUNCT
eurjchem-2602	306	25	i.	i.	NOUN
eurjchem-2602	306	26	;	;	PUNCT
eurjchem-2602	306	27	alanazi	alanazi	NOUN
eurjchem-2602	306	28	,	,	PUNCT
eurjchem-2602	306	29	m.	m.	NOUN
eurjchem-2602	306	30	m.	m.	NOUN
eurjchem-2602	306	31	;	;	PUNCT
eurjchem-2602	306	32	lahmidi	lahmidi	PROPN
eurjchem-2602	306	33	,	,	PUNCT
eurjchem-2602	306	34	s.	s.	PROPN
eurjchem-2602	306	35	;	;	PUNCT
eurjchem-2602	306	36	barnossi	barnossi	PROPN
eurjchem-2602	306	37	,	,	PUNCT
eurjchem-2602	306	38	a.	a.	PROPN
eurjchem-2602	306	39	e.	e.	PROPN
eurjchem-2602	306	40	;	;	PUNCT
eurjchem-2602	306	41	merzouki	merzouki	ADJ
eurjchem-2602	306	42	,	,	PUNCT
eurjchem-2602	306	43	o.	o.	PROPN
eurjchem-2602	306	44	;	;	PUNCT
eurjchem-2602	306	45	iraqi	iraqi	ADJ
eurjchem-2602	306	46	housseini	housseini	PROPN
eurjchem-2602	306	47	,	,	PUNCT
eurjchem-2602	306	48	a.	a.	NOUN
eurjchem-2602	306	49	;	;	PUNCT
eurjchem-2602	306	50	rais	rais	PROPN
eurjchem-2602	306	51	,	,	PUNCT
eurjchem-2602	306	52	z.	z.	PROPN
eurjchem-2602	306	53	;	;	PUNCT
eurjchem-2602	306	54	baouid	baouid	NOUN
eurjchem-2602	306	55	,	,	PUNCT
eurjchem-2602	306	56	a.	a.	NOUN
eurjchem-2602	306	57	;	;	PUNCT
eurjchem-2602	306	58	taleb	taleb	NOUN
eurjchem-2602	306	59	,	,	PUNCT
eurjchem-2602	306	60	m.	m.	NOUN
eurjchem-2602	306	61	synthesis	synthesis	NOUN
eurjchem-2602	306	62	,	,	PUNCT
eurjchem-2602	306	63	characterization	characterization	NOUN
eurjchem-2602	306	64	,	,	PUNCT
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eurjchem-2602	306	66	,	,	PUNCT
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eurjchem-2602	306	70	activities	activity	NOUN
eurjchem-2602	306	71	of	of	ADP
eurjchem-2602	306	72	1,2,4triazolo[1,5	1,2,4triazolo[1,5	NOUN
eurjchem-2602	306	73	-	-	PUNCT
eurjchem-2602	306	74	a]quinazolinone	a]quinazolinone	PROPN
eurjchem-2602	306	75	.	.	PUNCT
eurjchem-2602	306	76	molecules	molecule	NOUN
eurjchem-2602	306	77	2023	2023	NUM
eurjchem-2602	306	78	,	,	PUNCT
eurjchem-2602	306	79	28	28	NUM
eurjchem-2602	306	80	(	(	PUNCT
eurjchem-2602	306	81	14	14	NUM
eurjchem-2602	306	82	)	)	PUNCT
eurjchem-2602	306	83	,	,	PUNCT
eurjchem-2602	306	84	5340	5340	NUM
eurjchem-2602	306	85	.	.	PUNCT
eurjchem-2602	307	1	[	[	X
eurjchem-2602	307	2	10	10	NUM
eurjchem-2602	307	3	]	]	PUNCT
eurjchem-2602	307	4	.	.	PUNCT
eurjchem-2602	308	1	ettahiri	ettahiri	PROPN
eurjchem-2602	308	2	,	,	PUNCT
eurjchem-2602	308	3	w.	w.	PROPN
eurjchem-2602	308	4	;	;	PUNCT
eurjchem-2602	308	5	adardour	adardour	NOUN
eurjchem-2602	308	6	,	,	PUNCT
eurjchem-2602	308	7	m.	m.	NOUN
eurjchem-2602	308	8	;	;	PUNCT
eurjchem-2602	308	9	alaoui	alaoui	PROPN
eurjchem-2602	308	10	,	,	PUNCT
eurjchem-2602	308	11	s.	s.	PROPN
eurjchem-2602	308	12	;	;	PUNCT
eurjchem-2602	308	13	allah	allah	PROPN
eurjchem-2602	308	14	,	,	PUNCT
eurjchem-2602	308	15	a.	a.	PROPN
eurjchem-2602	308	16	e.	e.	PROPN
eurjchem-2602	308	17	;	;	PUNCT
eurjchem-2602	308	18	aichouch	aichouch	NOUN
eurjchem-2602	308	19	,	,	PUNCT
eurjchem-2602	308	20	m.	m.	NOUN
eurjchem-2602	308	21	;	;	PUNCT
eurjchem-2602	308	22	salim	salim	PROPN
eurjchem-2602	308	23	,	,	PUNCT
eurjchem-2602	308	24	r.	r.	PROPN
eurjchem-2602	308	25	;	;	PUNCT
eurjchem-2602	308	26	ramli	ramli	PROPN
eurjchem-2602	308	27	,	,	PUNCT
eurjchem-2602	308	28	y.	y.	PROPN
eurjchem-2602	308	29	;	;	PUNCT
eurjchem-2602	308	30	bouyahya	bouyahya	PROPN
eurjchem-2602	308	31	,	,	PUNCT
eurjchem-2602	308	32	a.	a.	NOUN
eurjchem-2602	308	33	;	;	PUNCT
eurjchem-2602	308	34	taleb	taleb	NOUN
eurjchem-2602	308	35	,	,	PUNCT
eurjchem-2602	308	36	m.	m.	NOUN
eurjchem-2602	308	37	recent	recent	ADJ
eurjchem-2602	308	38	advance	advance	NOUN
eurjchem-2602	308	39	in	in	ADP
eurjchem-2602	308	40	the	the	DET
eurjchem-2602	308	41	development	development	NOUN
eurjchem-2602	308	42	of	of	ADP
eurjchem-2602	308	43	n	n	CCONJ
eurjchem-2602	308	44	-	-	PUNCT
eurjchem-2602	308	45	heterocyclic	heterocyclic	ADJ
eurjchem-2602	308	46	derivatives	derivative	NOUN
eurjchem-2602	308	47	as	as	ADP
eurjchem-2602	308	48	anti	anti	ADJ
eurjchem-2602	308	49	-	-	ADJ
eurjchem-2602	308	50	sars	sar	NOUN
eurjchem-2602	308	51	-	-	PUNCT
eurjchem-2602	308	52	cov-2	cov-2	NOUN
eurjchem-2602	308	53	inhibitors	inhibitor	NOUN
eurjchem-2602	308	54	:	:	PUNCT
eurjchem-2602	308	55	a	a	DET
eurjchem-2602	308	56	review	review	NOUN
eurjchem-2602	308	57	.	.	PUNCT
eurjchem-2602	309	1	phytochem	phytochem	PROPN
eurjchem-2602	309	2	.	.	PUNCT
eurjchem-2602	310	1	lett	lett	PROPN
eurjchem-2602	310	2	.	.	PUNCT
eurjchem-2602	310	3	2024	2024	NUM
eurjchem-2602	310	4	,	,	PUNCT
eurjchem-2602	310	5	61	61	NUM
eurjchem-2602	310	6	,	,	PUNCT
eurjchem-2602	310	7	247–269	247–269	NUM
eurjchem-2602	310	8	.	.	PUNCT
eurjchem-2602	311	1	[	[	X
eurjchem-2602	311	2	11	11	NUM
eurjchem-2602	311	3	]	]	PUNCT
eurjchem-2602	311	4	.	.	PUNCT
eurjchem-2602	312	1	horiuchi	horiuchi	PROPN
eurjchem-2602	312	2	,	,	PUNCT
eurjchem-2602	312	3	s.	s.	PROPN
eurjchem-2602	312	4	;	;	PUNCT
eurjchem-2602	312	5	kagawa	kagawa	PROPN
eurjchem-2602	312	6	,	,	PUNCT
eurjchem-2602	312	7	f.	f.	PROPN
eurjchem-2602	312	8	;	;	PUNCT
eurjchem-2602	312	9	hatahara	hatahara	PROPN
eurjchem-2602	312	10	,	,	PUNCT
eurjchem-2602	312	11	k.	k.	PROPN
eurjchem-2602	312	12	;	;	PUNCT
eurjchem-2602	313	1	kobayashi	kobayashi	PROPN
eurjchem-2602	313	2	,	,	PUNCT
eurjchem-2602	313	3	k.	k.	PROPN
eurjchem-2602	313	4	;	;	PUNCT
eurjchem-2602	313	5	kumai	kumai	PROPN
eurjchem-2602	313	6	,	,	PUNCT
eurjchem-2602	313	7	r.	r.	PROPN
eurjchem-2602	313	8	;	;	PUNCT
eurjchem-2602	313	9	murakami	murakami	NOUN
eurjchem-2602	313	10	,	,	PUNCT
eurjchem-2602	313	11	y.	y.	PROPN
eurjchem-2602	313	12	;	;	PUNCT
eurjchem-2602	313	13	tokura	tokura	PROPN
eurjchem-2602	313	14	,	,	PUNCT
eurjchem-2602	313	15	y.	y.	NOUN
eurjchem-2602	313	16	above	above	ADP
eurjchem-2602	313	17	-	-	PUNCT
eurjchem-2602	313	18	room	room	NOUN
eurjchem-2602	313	19	-	-	PUNCT
eurjchem-2602	313	20	temperature	temperature	NOUN
eurjchem-2602	313	21	ferroelectricity	ferroelectricity	NOUN
eurjchem-2602	313	22	and	and	CCONJ
eurjchem-2602	313	23	antiferroelectricity	antiferroelectricity	NOUN
eurjchem-2602	313	24	in	in	ADP
eurjchem-2602	313	25	benzimidazoles	benzimidazole	NOUN
eurjchem-2602	313	26	.	.	PUNCT
eurjchem-2602	314	1	nat	nat	PROPN
eurjchem-2602	314	2	commun	commun	PROPN
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eurjchem-2602	314	4	,	,	PUNCT
eurjchem-2602	314	5	3	3	NUM
eurjchem-2602	314	6	(	(	PUNCT
eurjchem-2602	314	7	1	1	NUM
eurjchem-2602	314	8	)	)	PUNCT
eurjchem-2602	314	9	,	,	PUNCT
eurjchem-2602	314	10	1308	1308	NUM
eurjchem-2602	314	11	https://doi.org/10.1038/ncomms2322	https://doi.org/10.1038/ncomms2322	PROPN
eurjchem-2602	314	12	.	.	PUNCT
eurjchem-2602	315	1	[	[	X
eurjchem-2602	315	2	12	12	NUM
eurjchem-2602	315	3	]	]	PUNCT
eurjchem-2602	315	4	.	.	PUNCT
eurjchem-2602	316	1	cosby	cosby	PROPN
eurjchem-2602	316	2	,	,	PUNCT
eurjchem-2602	316	3	t.	t.	PROPN
eurjchem-2602	316	4	;	;	PUNCT
eurjchem-2602	316	5	holt	holt	PROPN
eurjchem-2602	316	6	,	,	PUNCT
eurjchem-2602	316	7	a.	a.	PROPN
eurjchem-2602	316	8	;	;	PUNCT
eurjchem-2602	316	9	griffin	griffin	PROPN
eurjchem-2602	316	10	,	,	PUNCT
eurjchem-2602	316	11	p.	p.	PROPN
eurjchem-2602	316	12	j.	j.	PROPN
eurjchem-2602	316	13	;	;	PUNCT
eurjchem-2602	316	14	wang	wang	PROPN
eurjchem-2602	316	15	,	,	PUNCT
eurjchem-2602	316	16	y.	y.	PROPN
eurjchem-2602	316	17	;	;	PUNCT
eurjchem-2602	316	18	sangoro	sangoro	PROPN
eurjchem-2602	316	19	,	,	PUNCT
eurjchem-2602	316	20	j.	j.	PROPN
eurjchem-2602	316	21	proton	proton	PROPN
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eurjchem-2602	316	23	in	in	ADP
eurjchem-2602	316	24	imidazoles	imidazole	NOUN
eurjchem-2602	316	25	:	:	PUNCT
eurjchem-2602	316	26	unraveling	unravel	VERB
eurjchem-2602	316	27	the	the	DET
eurjchem-2602	316	28	role	role	NOUN
eurjchem-2602	316	29	of	of	ADP
eurjchem-2602	316	30	supramolecular	supramolecular	ADJ
eurjchem-2602	316	31	structure	structure	NOUN
eurjchem-2602	316	32	.	.	PUNCT
eurjchem-2602	317	1	j.	j.	PROPN
eurjchem-2602	317	2	phys	phys	PROPN
eurjchem-2602	317	3	.	.	PUNCT
eurjchem-2602	318	1	chem	chem	PROPN
eurjchem-2602	318	2	.	.	PUNCT
eurjchem-2602	319	1	lett	lett	PROPN
eurjchem-2602	319	2	.	.	PROPN
eurjchem-2602	320	1	2015	2015	NUM
eurjchem-2602	320	2	,	,	PUNCT
eurjchem-2602	320	3	6	6	NUM
eurjchem-2602	320	4	(	(	PUNCT
eurjchem-2602	320	5	19	19	NUM
eurjchem-2602	320	6	)	)	PUNCT
eurjchem-2602	320	7	,	,	PUNCT
eurjchem-2602	320	8	3961–3965	3961–3965	NUM
eurjchem-2602	320	9	.	.	PUNCT
eurjchem-2602	321	1	[	[	X
eurjchem-2602	321	2	13	13	NUM
eurjchem-2602	321	3	]	]	PUNCT
eurjchem-2602	321	4	.	.	PUNCT
eurjchem-2602	322	1	nagamani	nagamani	PROPN
eurjchem-2602	322	2	,	,	PUNCT
eurjchem-2602	322	3	c.	c.	PROPN
eurjchem-2602	322	4	;	;	PUNCT
eurjchem-2602	322	5	versek	versek	PROPN
eurjchem-2602	322	6	,	,	PUNCT
eurjchem-2602	322	7	c.	c.	PROPN
eurjchem-2602	322	8	;	;	PUNCT
eurjchem-2602	322	9	thorn	thorn	NOUN
eurjchem-2602	322	10	,	,	PUNCT
eurjchem-2602	322	11	m.	m.	NOUN
eurjchem-2602	322	12	;	;	PUNCT
eurjchem-2602	322	13	tuominen	tuominen	NOUN
eurjchem-2602	322	14	,	,	PUNCT
eurjchem-2602	322	15	m.	m.	NOUN
eurjchem-2602	322	16	t.	t.	PROPN
eurjchem-2602	322	17	;	;	PUNCT
eurjchem-2602	322	18	thayumanavan	thayumanavan	PROPN
eurjchem-2602	322	19	,	,	PUNCT
eurjchem-2602	322	20	s.	s.	PROPN
eurjchem-2602	322	21	proton	proton	PROPN
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eurjchem-2602	322	23	in	in	ADP
eurjchem-2602	322	24	1h-1,2,3	1h-1,2,3	NUM
eurjchem-2602	322	25	-	-	PUNCT
eurjchem-2602	322	26	triazole	triazole	NOUN
eurjchem-2602	322	27	polymers	polymer	NOUN
eurjchem-2602	322	28	:	:	PUNCT
eurjchem-2602	322	29	imidazole	imidazole	NOUN
eurjchem-2602	322	30	-	-	PUNCT
eurjchem-2602	322	31	like	like	ADJ
eurjchem-2602	322	32	or	or	CCONJ
eurjchem-2602	322	33	pyrazole	pyrazole	NOUN
eurjchem-2602	322	34	-	-	PUNCT
eurjchem-2602	322	35	like	like	ADJ
eurjchem-2602	322	36	?	?	PUNCT
eurjchem-2602	323	1	j.	j.	PROPN
eurjchem-2602	323	2	polym	polym	PROPN
eurjchem-2602	323	3	.	.	PUNCT
eurjchem-2602	324	1	sci	sci	PROPN
eurjchem-2602	324	2	.	.	PUNCT
eurjchem-2602	324	3	a.	a.	PROPN
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eurjchem-2602	324	5	.	.	PUNCT
eurjchem-2602	325	1	chem	chem	NOUN
eurjchem-2602	325	2	.	.	PUNCT
eurjchem-2602	326	1	2010	2010	NUM
eurjchem-2602	326	2	,	,	PUNCT
eurjchem-2602	326	3	48	48	NUM
eurjchem-2602	326	4	(	(	PUNCT
eurjchem-2602	326	5	9	9	NUM
eurjchem-2602	326	6	)	)	PUNCT
eurjchem-2602	326	7	,	,	PUNCT
eurjchem-2602	326	8	1851–1858	1851–1858	NUM
eurjchem-2602	326	9	.	.	PUNCT
eurjchem-2602	327	1	[	[	X
eurjchem-2602	327	2	14	14	NUM
eurjchem-2602	327	3	]	]	PUNCT
eurjchem-2602	327	4	.	.	PUNCT
eurjchem-2602	328	1	kerru	kerru	PROPN
eurjchem-2602	328	2	,	,	PUNCT
eurjchem-2602	328	3	n.	n.	NOUN
eurjchem-2602	328	4	;	;	PUNCT
eurjchem-2602	328	5	gummidi	gummidi	NOUN
eurjchem-2602	328	6	,	,	PUNCT
eurjchem-2602	328	7	l.	l.	PROPN
eurjchem-2602	328	8	;	;	PUNCT
eurjchem-2602	328	9	maddila	maddila	PROPN
eurjchem-2602	328	10	,	,	PUNCT
eurjchem-2602	328	11	s.	s.	PROPN
eurjchem-2602	328	12	;	;	PUNCT
eurjchem-2602	328	13	gangu	gangu	PROPN
eurjchem-2602	328	14	,	,	PUNCT
eurjchem-2602	328	15	k.	k.	PROPN
eurjchem-2602	328	16	k.	k.	PROPN
eurjchem-2602	328	17	;	;	PUNCT
eurjchem-2602	328	18	jonnalagadda	jonnalagadda	PROPN
eurjchem-2602	328	19	,	,	PUNCT
eurjchem-2602	328	20	s.	s.	PROPN
eurjchem-2602	328	21	b.	b.	PROPN
eurjchem-2602	329	1	a	a	DET
eurjchem-2602	329	2	review	review	NOUN
eurjchem-2602	329	3	on	on	ADP
eurjchem-2602	329	4	recent	recent	ADJ
eurjchem-2602	329	5	advances	advance	NOUN
eurjchem-2602	329	6	in	in	ADP
eurjchem-2602	329	7	nitrogen	nitrogen	NOUN
eurjchem-2602	329	8	-	-	PUNCT
eurjchem-2602	329	9	containing	contain	VERB
eurjchem-2602	329	10	molecules	molecule	NOUN
eurjchem-2602	329	11	and	and	CCONJ
eurjchem-2602	329	12	their	their	PRON
eurjchem-2602	329	13	biological	biological	ADJ
eurjchem-2602	329	14	applications	application	NOUN
eurjchem-2602	329	15	.	.	PUNCT
eurjchem-2602	330	1	molecules	molecule	NOUN
eurjchem-2602	330	2	2020	2020	NUM
eurjchem-2602	330	3	,	,	PUNCT
eurjchem-2602	330	4	25	25	NUM
eurjchem-2602	330	5	(	(	PUNCT
eurjchem-2602	330	6	8)	8)	NUM
eurjchem-2602	330	7	,	,	PUNCT
eurjchem-2602	330	8	1909	1909	NUM
eurjchem-2602	330	9	.	.	PUNCT
eurjchem-2602	331	1	[	[	X
eurjchem-2602	331	2	15	15	NUM
eurjchem-2602	331	3	]	]	PUNCT
eurjchem-2602	331	4	.	.	PUNCT
eurjchem-2602	332	1	ettahiri	ettahiri	PROPN
eurjchem-2602	332	2	,	,	PUNCT
eurjchem-2602	332	3	w.	w.	PROPN
eurjchem-2602	332	4	;	;	PUNCT
eurjchem-2602	332	5	adardour	adardour	NOUN
eurjchem-2602	332	6	,	,	PUNCT
eurjchem-2602	332	7	m.	m.	NOUN
eurjchem-2602	332	8	;	;	PUNCT
eurjchem-2602	332	9	ech	ech	PROPN
eurjchem-2602	332	10	-	-	PUNCT
eurjchem-2602	332	11	chihbi	chihbi	PROPN
eurjchem-2602	332	12	,	,	PUNCT
eurjchem-2602	332	13	e.	e.	PROPN
eurjchem-2602	332	14	;	;	PUNCT
eurjchem-2602	332	15	azam	azam	PROPN
eurjchem-2602	332	16	,	,	PUNCT
eurjchem-2602	332	17	m.	m.	NOUN
eurjchem-2602	332	18	;	;	PUNCT
eurjchem-2602	332	19	salim	salim	PROPN
eurjchem-2602	332	20	,	,	PUNCT
eurjchem-2602	332	21	r.	r.	PROPN
eurjchem-2602	332	22	;	;	PUNCT
eurjchem-2602	332	23	dalbouha	dalbouha	PROPN
eurjchem-2602	332	24	,	,	PUNCT
eurjchem-2602	332	25	s.	s.	PROPN
eurjchem-2602	332	26	;	;	PUNCT
eurjchem-2602	332	27	min	min	PROPN
eurjchem-2602	332	28	,	,	PUNCT
eurjchem-2602	332	29	k.	k.	PROPN
eurjchem-2602	332	30	;	;	PUNCT
eurjchem-2602	332	31	rais	rais	PROPN
eurjchem-2602	332	32	,	,	PUNCT
eurjchem-2602	332	33	z.	z.	PROPN
eurjchem-2602	332	34	;	;	PUNCT
eurjchem-2602	332	35	baouid	baouid	NOUN
eurjchem-2602	332	36	,	,	PUNCT
eurjchem-2602	332	37	a.	a.	NOUN
eurjchem-2602	332	38	;	;	PUNCT
eurjchem-2602	332	39	taleb	taleb	NOUN
eurjchem-2602	332	40	,	,	PUNCT
eurjchem-2602	332	41	m.	m.	NOUN
eurjchem-2602	332	42	1,2,3	1,2,3	NUM
eurjchem-2602	332	43	-	-	PUNCT
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eurjchem-2602	332	46	derivatives	derivative	NOUN
eurjchem-2602	332	47	as	as	ADP
eurjchem-2602	332	48	new	new	ADJ
eurjchem-2602	332	49	eco	eco	NOUN
eurjchem-2602	332	50	-	-	PUNCT
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eurjchem-2602	332	57	in	in	ADP
eurjchem-2602	332	58	1	1	NUM
eurjchem-2602	332	59	m	m	NOUN
eurjchem-2602	332	60	hcl	hcl	NOUN
eurjchem-2602	332	61	solution	solution	NOUN
eurjchem-2602	332	62	:	:	PUNCT
eurjchem-2602	332	63	experimental	experimental	ADJ
eurjchem-2602	332	64	and	and	CCONJ
eurjchem-2602	332	65	computational	computational	ADJ
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eurjchem-2602	332	67	.	.	PUNCT
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eurjchem-2602	333	2	surf	surf	PROPN
eurjchem-2602	333	3	.	.	PUNCT
eurjchem-2602	334	1	a	a	DET
eurjchem-2602	334	2	:	:	PUNCT
eurjchem-2602	334	3	physicochem	physicochem	PROPN
eurjchem-2602	334	4	.	.	PUNCT
eurjchem-2602	335	1	eng	eng	PROPN
eurjchem-2602	335	2	.	.	PUNCT
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eurjchem-2602	335	6	,	,	PUNCT
eurjchem-2602	335	7	681	681	NUM
eurjchem-2602	335	8	,	,	PUNCT
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eurjchem-2602	335	10	.	.	PUNCT
eurjchem-2602	336	1	[	[	X
eurjchem-2602	336	2	16	16	NUM
eurjchem-2602	336	3	]	]	PUNCT
eurjchem-2602	336	4	.	.	PUNCT
eurjchem-2602	337	1	ech	ech	PROPN
eurjchem-2602	337	2	-	-	PUNCT
eurjchem-2602	337	3	chihbi	chihbi	PROPN
eurjchem-2602	337	4	,	,	PUNCT
eurjchem-2602	337	5	e.	e.	PROPN
eurjchem-2602	337	6	;	;	PUNCT
eurjchem-2602	337	7	adardour	adardour	NOUN
eurjchem-2602	337	8	,	,	PUNCT
eurjchem-2602	337	9	m.	m.	NOUN
eurjchem-2602	337	10	;	;	PUNCT
eurjchem-2602	337	11	ettahiri	ettahiri	NOUN
eurjchem-2602	337	12	,	,	PUNCT
eurjchem-2602	337	13	w.	w.	PROPN
eurjchem-2602	337	14	;	;	PUNCT
eurjchem-2602	337	15	salim	salim	PROPN
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eurjchem-2602	337	17	r.	r.	PROPN
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eurjchem-2602	337	21	m.	m.	NOUN
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eurjchem-2602	337	24	,	,	PUNCT
eurjchem-2602	337	25	m.	m.	NOUN
eurjchem-2602	337	26	;	;	PUNCT
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eurjchem-2602	337	28	,	,	PUNCT
eurjchem-2602	337	29	a.	a.	NOUN
eurjchem-2602	337	30	;	;	PUNCT
eurjchem-2602	337	31	taleb	taleb	NOUN
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eurjchem-2602	337	48	-	-	PUNCT
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eurjchem-2602	337	51	in	in	ADP
eurjchem-2602	337	52	acidic	acidic	ADJ
eurjchem-2602	337	53	environment	environment	NOUN
eurjchem-2602	337	54	.	.	PUNCT
eurjchem-2602	338	1	j.	j.	PROPN
eurjchem-2602	338	2	mol	mol	PROPN
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eurjchem-2602	338	5	.	.	PUNCT
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eurjchem-2602	339	2	,	,	PUNCT
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eurjchem-2602	339	4	,	,	PUNCT
eurjchem-2602	339	5	122652	122652	NUM
eurjchem-2602	339	6	.	.	PUNCT
eurjchem-2602	340	1	[	[	X
eurjchem-2602	340	2	17	17	NUM
eurjchem-2602	340	3	]	]	PUNCT
eurjchem-2602	340	4	.	.	PUNCT
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eurjchem-2602	341	2	,	,	PUNCT
eurjchem-2602	341	3	r.	r.	PROPN
eurjchem-2602	341	4	;	;	PUNCT
eurjchem-2602	341	5	ech	ech	PROPN
eurjchem-2602	341	6	-	-	PUNCT
eurjchem-2602	341	7	chihbi	chihbi	PROPN
eurjchem-2602	341	8	,	,	PUNCT
eurjchem-2602	341	9	e.	e.	PROPN
eurjchem-2602	341	10	;	;	PUNCT
eurjchem-2602	341	11	ettahiri	ettahiri	PROPN
eurjchem-2602	341	12	,	,	PUNCT
eurjchem-2602	341	13	w.	w.	PROPN
eurjchem-2602	341	14	;	;	PUNCT
eurjchem-2602	341	15	hammouti	hammouti	PROPN
eurjchem-2602	341	16	,	,	PUNCT
eurjchem-2602	341	17	b.	b.	PROPN
eurjchem-2602	341	18	;	;	PUNCT
eurjchem-2602	341	19	rais	rais	PROPN
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eurjchem-2602	341	21	z.	z.	PROPN
eurjchem-2602	341	22	;	;	PUNCT
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eurjchem-2602	341	24	,	,	PUNCT
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eurjchem-2602	341	29	:	:	PUNCT
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eurjchem-2602	341	31	waste	waste	NOUN
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eurjchem-2602	341	35	.	.	PUNCT
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eurjchem-2602	342	2	.	.	PUNCT
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eurjchem-2602	342	4	.	.	PUNCT
eurjchem-2602	342	5	:	:	PUNCT
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eurjchem-2602	343	2	.	.	PUNCT
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eurjchem-2602	344	2	.	.	PUNCT
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eurjchem-2602	345	2	,	,	PUNCT
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eurjchem-2602	345	4	.	.	PUNCT
eurjchem-2602	346	1	[	[	X
eurjchem-2602	346	2	18	18	NUM
eurjchem-2602	346	3	]	]	PUNCT
eurjchem-2602	346	4	.	.	PUNCT
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eurjchem-2602	347	2	,	,	PUNCT
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eurjchem-2602	347	8	;	;	PUNCT
eurjchem-2602	347	9	ech	ech	PROPN
eurjchem-2602	347	10	-	-	PUNCT
eurjchem-2602	347	11	chihbi	chihbi	PROPN
eurjchem-2602	347	12	,	,	PUNCT
eurjchem-2602	347	13	e.	e.	PROPN
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eurjchem-2602	347	17	s.	s.	PROPN
eurjchem-2602	347	18	;	;	PUNCT
eurjchem-2602	347	19	hammouti	hammouti	PROPN
eurjchem-2602	347	20	,	,	PUNCT
eurjchem-2602	347	21	b.	b.	PROPN
eurjchem-2602	347	22	;	;	PUNCT
eurjchem-2602	347	23	rais	rais	PROPN
eurjchem-2602	347	24	,	,	PUNCT
eurjchem-2602	347	25	z.	z.	PROPN
eurjchem-2602	347	26	;	;	PUNCT
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eurjchem-2602	347	30	;	;	PUNCT
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eurjchem-2602	347	32	,	,	PUNCT
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eurjchem-2602	347	48	:	:	PUNCT
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eurjchem-2602	347	50	,	,	PUNCT
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eurjchem-2602	347	62	.	.	PUNCT
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eurjchem-2602	348	3	,	,	PUNCT
eurjchem-2602	348	4	371	371	NUM
eurjchem-2602	348	5	,	,	PUNCT
eurjchem-2602	348	6	132058	132058	NUM
eurjchem-2602	348	7	.	.	PUNCT
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eurjchem-2602	349	3	]	]	PUNCT
eurjchem-2602	349	4	.	.	PUNCT
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eurjchem-2602	350	2	,	,	PUNCT
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eurjchem-2602	350	4	;	;	PUNCT
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eurjchem-2602	350	8	;	;	PUNCT
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eurjchem-2602	350	13	ech	ech	PROPN
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eurjchem-2602	350	22	;	;	PUNCT
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eurjchem-2602	350	50	.	.	PUNCT
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eurjchem-2602	351	2	.	.	PUNCT
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eurjchem-2602	352	2	.	.	PUNCT
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eurjchem-2602	353	2	.	.	PROPN
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eurjchem-2602	353	4	,	,	PUNCT
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eurjchem-2602	354	1	[	[	X
eurjchem-2602	354	2	20	20	NUM
eurjchem-2602	354	3	]	]	PUNCT
eurjchem-2602	354	4	.	.	PUNCT
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eurjchem-2602	355	2	,	,	PUNCT
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eurjchem-2602	355	9	;	;	PUNCT
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eurjchem-2602	355	20	-	-	PUNCT
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eurjchem-2602	355	24	,	,	PUNCT
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eurjchem-2602	355	26	-	-	PUNCT
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eurjchem-2602	355	28	-	-	PUNCT
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eurjchem-2602	355	33	.	.	PUNCT
eurjchem-2602	356	1	eur	eur	PROPN
eurjchem-2602	356	2	.	.	PUNCT
eurjchem-2602	357	1	j.	j.	PROPN
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eurjchem-2602	358	2	,	,	PUNCT
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eurjchem-2602	358	6	)	)	PUNCT
eurjchem-2602	358	7	,	,	PUNCT
eurjchem-2602	358	8	323–335	323–335	NUM
eurjchem-2602	358	9	.	.	PUNCT
eurjchem-2602	359	1	[	[	X
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eurjchem-2602	359	3	]	]	PUNCT
eurjchem-2602	359	4	.	.	PUNCT
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eurjchem-2602	360	8	;	;	PUNCT
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eurjchem-2602	361	3	,	,	PUNCT
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eurjchem-2602	361	5	(	(	PUNCT
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eurjchem-2602	361	7	)	)	PUNCT
eurjchem-2602	361	8	,	,	PUNCT
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eurjchem-2602	361	10	.	.	PUNCT
eurjchem-2602	362	1	[	[	X
eurjchem-2602	362	2	22	22	NUM
eurjchem-2602	362	3	]	]	PUNCT
eurjchem-2602	362	4	.	.	PUNCT
eurjchem-2602	363	1	patel	patel	PROPN
eurjchem-2602	363	2	,	,	PUNCT
eurjchem-2602	363	3	u.	u.	PROPN
eurjchem-2602	363	4	h.	h.	PROPN
eurjchem-2602	363	5	;	;	PUNCT
eurjchem-2602	363	6	gandhi	gandhi	PROPN
eurjchem-2602	363	7	,	,	PUNCT
eurjchem-2602	363	8	s.	s.	PROPN
eurjchem-2602	363	9	a.	a.	PROPN
eurjchem-2602	363	10	;	;	PUNCT
eurjchem-2602	363	11	barot	barot	ADJ
eurjchem-2602	363	12	,	,	PUNCT
eurjchem-2602	363	13	v.	v.	ADP
eurjchem-2602	363	14	m.	m.	NOUN
eurjchem-2602	363	15	;	;	PUNCT
eurjchem-2602	363	16	patel	patel	PROPN
eurjchem-2602	363	17	,	,	PUNCT
eurjchem-2602	363	18	m.	m.	NOUN
eurjchem-2602	363	19	c.	c.	PROPN
eurjchem-2602	363	20	3-(2	3-(2	PROPN
eurjchem-2602	363	21	-	-	PUNCT
eurjchem-2602	363	22	chloro-3hydroxy-4	chloro-3hydroxy-4	ADP
eurjchem-2602	363	23	-	-	PUNCT
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eurjchem-2602	363	25	-	-	PUNCT
eurjchem-2602	363	26	dimethoxy-2	dimethoxy-2	NOUN
eurjchem-2602	363	27	-	-	PUNCT
eurjchem-2602	363	28	methylphenyl)prop2	methylphenyl)prop2	NUM
eurjchem-2602	363	29	-	-	PUNCT
eurjchem-2602	363	30	en-1	en-1	NOUN
eurjchem-2602	363	31	-	-	PUNCT
eurjchem-2602	363	32	one	one	NUM
eurjchem-2602	363	33	.	.	PUNCT
eurjchem-2602	364	1	acta	acta	PROPN
eurjchem-2602	364	2	crystallogr	crystallogr	PROPN
eurjchem-2602	364	3	e.	e.	PROPN
eurjchem-2602	364	4	struct	struct	PROPN
eurjchem-2602	364	5	rep	rep	PROPN
eurjchem-2602	364	6	online	online	ADJ
eurjchem-2602	364	7	2012	2012	NUM
eurjchem-2602	364	8	,	,	PUNCT
eurjchem-2602	364	9	68	68	NUM
eurjchem-2602	364	10	(	(	PUNCT
eurjchem-2602	364	11	10	10	NUM
eurjchem-2602	364	12	)	)	PUNCT
eurjchem-2602	364	13	,	,	PUNCT
eurjchem-2602	364	14	o2926	o2926	PROPN
eurjchem-2602	364	15	–	–	PUNCT
eurjchem-2602	364	16	o2927	o2927	NUM
eurjchem-2602	364	17	.	.	PUNCT
eurjchem-2602	365	1	[	[	X
eurjchem-2602	365	2	23	23	NUM
eurjchem-2602	365	3	]	]	PUNCT
eurjchem-2602	365	4	.	.	PUNCT
eurjchem-2602	366	1	malek	malek	PROPN
eurjchem-2602	366	2	,	,	PUNCT
eurjchem-2602	366	3	t.	t.	PROPN
eurjchem-2602	366	4	j.	j.	PROPN
eurjchem-2602	366	5	;	;	PUNCT
eurjchem-2602	366	6	gandhi	gandhi	PROPN
eurjchem-2602	366	7	,	,	PUNCT
eurjchem-2602	366	8	s.	s.	PROPN
eurjchem-2602	366	9	a.	a.	PROPN
eurjchem-2602	366	10	;	;	PUNCT
eurjchem-2602	366	11	barot	barot	ADJ
eurjchem-2602	366	12	,	,	PUNCT
eurjchem-2602	366	13	v.	v.	PROPN
eurjchem-2602	366	14	;	;	PUNCT
eurjchem-2602	366	15	patel	patel	PROPN
eurjchem-2602	366	16	,	,	PUNCT
eurjchem-2602	366	17	m.	m.	NOUN
eurjchem-2602	366	18	;	;	PUNCT
eurjchem-2602	366	19	patel	patel	PROPN
eurjchem-2602	366	20	,	,	PUNCT
eurjchem-2602	366	21	u.	u.	PROPN
eurjchem-2602	366	22	h.	h.	PROPN
eurjchem-2602	366	23	crystal	crystal	PROPN
eurjchem-2602	366	24	structure	structure	NOUN
eurjchem-2602	366	25	and	and	CCONJ
eurjchem-2602	366	26	hirshfeld	hirshfeld	PROPN
eurjchem-2602	366	27	surface	surface	NOUN
eurjchem-2602	366	28	analysis	analysis	NOUN
eurjchem-2602	366	29	of	of	ADP
eurjchem-2602	366	30	methyl	methyl	NOUN
eurjchem-2602	366	31	4-[(e)-2-(5	4-[(e)-2-(5	NUM
eurjchem-2602	366	32	-	-	PUNCT
eurjchem-2602	366	33	bromo2	bromo2	NOUN
eurjchem-2602	366	34	-	-	PUNCT
eurjchem-2602	366	35	methoxybenzylidene)hydrazinyl]-3	methoxybenzylidene)hydrazinyl]-3	NOUN
eurjchem-2602	366	36	-	-	PUNCT
eurjchem-2602	366	37	nitrobenzoate	nitrobenzoate	NOUN
eurjchem-2602	366	38	.	.	PUNCT
eurjchem-2602	367	1	acta	acta	PROPN
eurjchem-2602	367	2	crystallogr	crystallogr	PROPN
eurjchem-2602	367	3	e.	e.	PROPN
eurjchem-2602	367	4	cryst	cryst	PROPN
eurjchem-2602	367	5	commun	commun	PROPN
eurjchem-2602	367	6	2018	2018	NUM
eurjchem-2602	367	7	,	,	PUNCT
eurjchem-2602	367	8	74	74	NUM
eurjchem-2602	367	9	(	(	PUNCT
eurjchem-2602	367	10	9	9	NUM
eurjchem-2602	367	11	)	)	PUNCT
eurjchem-2602	367	12	,	,	PUNCT
eurjchem-2602	367	13	1239–1243	1239–1243	NUM
eurjchem-2602	367	14	.	.	PUNCT
eurjchem-2602	368	1	[	[	X
eurjchem-2602	368	2	24	24	NUM
eurjchem-2602	368	3	]	]	PUNCT
eurjchem-2602	368	4	.	.	PUNCT
eurjchem-2602	369	1	patel	patel	PROPN
eurjchem-2602	369	2	,	,	PUNCT
eurjchem-2602	369	3	u.	u.	PROPN
eurjchem-2602	369	4	h.	h.	PROPN
eurjchem-2602	369	5	;	;	PUNCT
eurjchem-2602	369	6	gandhi	gandhi	PROPN
eurjchem-2602	369	7	,	,	PUNCT
eurjchem-2602	369	8	s.	s.	PROPN
eurjchem-2602	369	9	a.	a.	PROPN
eurjchem-2602	369	10	;	;	PUNCT
eurjchem-2602	369	11	barot	barot	ADJ
eurjchem-2602	369	12	,	,	PUNCT
eurjchem-2602	369	13	v.	v.	ADP
eurjchem-2602	369	14	m.	m.	NOUN
eurjchem-2602	369	15	;	;	PUNCT
eurjchem-2602	369	16	patel	patel	PROPN
eurjchem-2602	369	17	,	,	PUNCT
eurjchem-2602	369	18	m.	m.	PROPN
eurjchem-2602	369	19	c.	c.	PROPN
eurjchem-2602	369	20	synthesis	synthesis	PROPN
eurjchem-2602	369	21	,	,	PUNCT
eurjchem-2602	369	22	spectroscopic	spectroscopic	ADJ
eurjchem-2602	369	23	investigations	investigation	NOUN
eurjchem-2602	369	24	,	,	PUNCT
eurjchem-2602	369	25	quantum	quantum	ADJ
eurjchem-2602	369	26	chemical	chemical	NOUN
eurjchem-2602	369	27	studies	study	NOUN
eurjchem-2602	369	28	(	(	PUNCT
eurjchem-2602	369	29	ab	ab	NOUN
eurjchem-2602	369	30	-	-	PUNCT
eurjchem-2602	369	31	initio	initio	PROPN
eurjchem-2602	369	32	&	&	CCONJ
eurjchem-2602	369	33	dft	dft	PROPN
eurjchem-2602	369	34	)	)	PUNCT
eurjchem-2602	369	35	and	and	CCONJ
eurjchem-2602	369	36	antimicrobial	antimicrobial	ADJ
eurjchem-2602	369	37	activities	activity	NOUN
eurjchem-2602	369	38	of	of	ADP
eurjchem-2602	369	39	3-(3	3-(3	PROPN
eurjchem-2602	369	40	-	-	PUNCT
eurjchem-2602	369	41	chloro-4,5	chloro-4,5	NUM
eurjchem-2602	369	42	-	-	PUNCT
eurjchem-2602	369	43	dimethoxyphenyl)-1-(4	dimethoxyphenyl)-1-(4	VERB
eurjchem-2602	369	44	,	,	PUNCT
eurjchem-2602	369	45	5	5	NUM
eurjchem-2602	369	46	-	-	PUNCT
eurjchem-2602	369	47	dimethoxy-2	dimethoxy-2	NUM
eurjchem-2602	369	48	-	-	PUNCT
eurjchem-2602	369	49	methyl	methyl	NOUN
eurjchem-2602	369	50	-	-	PUNCT
eurjchem-2602	369	51	phenyl	phenyl	NOUN
eurjchem-2602	369	52	)	)	PUNCT
eurjchem-2602	369	53	prop-2	prop-2	PROPN
eurjchem-2602	369	54	-	-	PUNCT
eurjchem-2602	369	55	en-1	en-1	NOUN
eurjchem-2602	369	56	-	-	PUNCT
eurjchem-2602	369	57	one	one	NUM
eurjchem-2602	369	58	.	.	PUNCT
eurjchem-2602	370	1	csta	csta	NOUN
eurjchem-2602	370	2	.	.	PUNCT
eurjchem-2602	371	1	2013	2013	NUM
eurjchem-2602	371	2	,	,	PUNCT
eurjchem-2602	371	3	02	02	NUM
eurjchem-2602	371	4	(	(	PUNCT
eurjchem-2602	371	5	04	04	NUM
eurjchem-2602	371	6	)	)	PUNCT
eurjchem-2602	371	7	,	,	PUNCT
eurjchem-2602	371	8	167–175	167–175	NUM
eurjchem-2602	371	9	.	.	PUNCT
eurjchem-2602	372	1	[	[	X
eurjchem-2602	372	2	25	25	NUM
eurjchem-2602	372	3	]	]	PUNCT
eurjchem-2602	372	4	.	.	PUNCT
eurjchem-2602	373	1	patel	patel	PROPN
eurjchem-2602	373	2	,	,	PUNCT
eurjchem-2602	373	3	u.	u.	PROPN
eurjchem-2602	373	4	h.	h.	PROPN
eurjchem-2602	373	5	;	;	PUNCT
eurjchem-2602	373	6	gandhi	gandhi	PROPN
eurjchem-2602	373	7	,	,	PUNCT
eurjchem-2602	373	8	s.	s.	PROPN
eurjchem-2602	373	9	a.	a.	PROPN
eurjchem-2602	373	10	;	;	PUNCT
eurjchem-2602	373	11	barot	barot	ADJ
eurjchem-2602	373	12	,	,	PUNCT
eurjchem-2602	373	13	v.	v.	ADP
eurjchem-2602	373	14	m.	m.	NOUN
eurjchem-2602	373	15	;	;	PUNCT
eurjchem-2602	373	16	patel	patel	PROPN
eurjchem-2602	373	17	,	,	PUNCT
eurjchem-2602	373	18	m.	m.	PROPN
eurjchem-2602	373	19	c.	c.	PROPN
eurjchem-2602	373	20	a	a	DET
eurjchem-2602	373	21	comparative	comparative	ADJ
eurjchem-2602	373	22	study	study	NOUN
eurjchem-2602	373	23	of	of	ADP
eurjchem-2602	373	24	novel	novel	ADJ
eurjchem-2602	373	25	chalcone	chalcone	NOUN
eurjchem-2602	373	26	derivative	derivative	NOUN
eurjchem-2602	373	27	by	by	ADP
eurjchem-2602	373	28	x	x	NOUN
eurjchem-2602	373	29	-	-	NOUN
eurjchem-2602	373	30	ray	ray	NOUN
eurjchem-2602	373	31	and	and	CCONJ
eurjchem-2602	373	32	quantum	quantum	NOUN
eurjchem-2602	373	33	chemical	chemical	NOUN
eurjchem-2602	373	34	calculations	calculation	NOUN
eurjchem-2602	373	35	(	(	PUNCT
eurjchem-2602	373	36	ab	ab	NOUN
eurjchem-2602	373	37	-	-	PUNCT
eurjchem-2602	373	38	initio	initio	NOUN
eurjchem-2602	373	39	and	and	CCONJ
eurjchem-2602	373	40	dft	dft	PROPN
eurjchem-2602	373	41	):	):	PUNCT
eurjchem-2602	373	42	experimental	experimental	ADJ
eurjchem-2602	373	43	and	and	CCONJ
eurjchem-2602	373	44	theoretical	theoretical	ADJ
eurjchem-2602	373	45	approach	approach	NOUN
eurjchem-2602	373	46	.	.	PUNCT
eurjchem-2602	374	1	mol	mol	PROPN
eurjchem-2602	374	2	.	.	PUNCT
eurjchem-2602	375	1	cryst	cryst	PROPN
eurjchem-2602	375	2	.	.	PUNCT
eurjchem-2602	376	1	liq	liq	NOUN
eurjchem-2602	376	2	.	.	PUNCT
eurjchem-2602	377	1	cryst	cryst	PROPN
eurjchem-2602	377	2	.	.	PUNCT
eurjchem-2602	378	1	2016	2016	NUM
eurjchem-2602	378	2	,	,	PUNCT
eurjchem-2602	378	3	624	624	NUM
eurjchem-2602	378	4	(	(	PUNCT
eurjchem-2602	378	5	1	1	NUM
eurjchem-2602	378	6	)	)	PUNCT
eurjchem-2602	378	7	,	,	PUNCT
eurjchem-2602	378	8	190–204	190–204	NUM
eurjchem-2602	378	9	.	.	PUNCT
eurjchem-2602	379	1	[	[	X
eurjchem-2602	379	2	26	26	NUM
eurjchem-2602	379	3	]	]	PUNCT
eurjchem-2602	379	4	.	.	PUNCT
eurjchem-2602	380	1	gandhi	gandhi	PROPN
eurjchem-2602	380	2	,	,	PUNCT
eurjchem-2602	380	3	s.	s.	PROPN
eurjchem-2602	380	4	a.	a.	PROPN
eurjchem-2602	380	5	;	;	PUNCT
eurjchem-2602	380	6	patel	patel	PROPN
eurjchem-2602	380	7	,	,	PUNCT
eurjchem-2602	380	8	u.	u.	PROPN
eurjchem-2602	380	9	h.	h.	PROPN
eurjchem-2602	380	10	;	;	PUNCT
eurjchem-2602	380	11	modh	modh	PROPN
eurjchem-2602	380	12	,	,	PUNCT
eurjchem-2602	380	13	r.	r.	PROPN
eurjchem-2602	380	14	d.	d.	PROPN
eurjchem-2602	380	15	;	;	PUNCT
eurjchem-2602	380	16	naliyapara	naliyapara	PROPN
eurjchem-2602	380	17	,	,	PUNCT
eurjchem-2602	380	18	y.	y.	PROPN
eurjchem-2602	380	19	;	;	PUNCT
eurjchem-2602	380	20	patel	patel	PROPN
eurjchem-2602	380	21	,	,	PUNCT
eurjchem-2602	380	22	a.	a.	PROPN
eurjchem-2602	380	23	s.	s.	PROPN
eurjchem-2602	380	24	quantum	quantum	PROPN
eurjchem-2602	380	25	chemical	chemical	PROPN
eurjchem-2602	380	26	calculations	calculation	NOUN
eurjchem-2602	380	27	(	(	PUNCT
eurjchem-2602	380	28	ab	ab	PROPN
eurjchem-2602	380	29	initio	initio	PROPN
eurjchem-2602	380	30	&	&	CCONJ
eurjchem-2602	380	31	dft	dft	PROPN
eurjchem-2602	380	32	)	)	PUNCT
eurjchem-2602	380	33	,	,	PUNCT
eurjchem-2602	380	34	hirshfeld	hirshfeld	PROPN
eurjchem-2602	380	35	surface	surface	NOUN
eurjchem-2602	380	36	analysis	analysis	NOUN
eurjchem-2602	380	37	,	,	PUNCT
eurjchem-2602	380	38	crystal	crystal	NOUN
eurjchem-2602	380	39	structure	structure	NOUN
eurjchem-2602	380	40	and	and	CCONJ
eurjchem-2602	380	41	molecular	molecular	ADJ
eurjchem-2602	380	42	docking	docking	NOUN
eurjchem-2602	380	43	study	study	NOUN
eurjchem-2602	380	44	of	of	ADP
eurjchem-2602	380	45	2	2	NUM
eurjchem-2602	380	46	-	-	PUNCT
eurjchem-2602	380	47	chloro4-(4	chloro4-(4	NOUN
eurjchem-2602	380	48	-	-	PUNCT
eurjchem-2602	380	49	fluoro	fluoro	NOUN
eurjchem-2602	380	50	-	-	PUNCT
eurjchem-2602	380	51	phenyl)-6	phenyl)-6	NOUN
eurjchem-2602	380	52	-	-	PUNCT
eurjchem-2602	380	53	isopropyl	isopropyl	NOUN
eurjchem-2602	380	54	-	-	PUNCT
eurjchem-2602	380	55	pyrimidine-5	pyrimidine-5	NOUN
eurjchem-2602	380	56	-	-	PUNCT
eurjchem-2602	380	57	carboxylic	carboxylic	NOUN
eurjchem-2602	380	58	acid	acid	NOUN
eurjchem-2602	380	59	methyl	methyl	NOUN
eurjchem-2602	380	60	ester	ester	NOUN
eurjchem-2602	380	61	.	.	PUNCT
eurjchem-2602	381	1	j.	j.	PROPN
eurjchem-2602	381	2	chem	chem	PROPN
eurjchem-2602	381	3	crystallogr	crystallogr	PROPN
eurjchem-2602	381	4	2016	2016	NUM
eurjchem-2602	381	5	,	,	PUNCT
eurjchem-2602	381	6	46	46	NUM
eurjchem-2602	381	7	(	(	PUNCT
eurjchem-2602	381	8	10	10	NUM
eurjchem-2602	381	9	-	-	SYM
eurjchem-2602	381	10	12	12	NUM
eurjchem-2602	381	11	)	)	PUNCT
eurjchem-2602	381	12	,	,	PUNCT
eurjchem-2602	381	13	387–398	387–398	NUM
eurjchem-2602	381	14	.	.	PUNCT
eurjchem-2602	382	1	[	[	X
eurjchem-2602	382	2	27	27	NUM
eurjchem-2602	382	3	]	]	PUNCT
eurjchem-2602	382	4	.	.	PUNCT
eurjchem-2602	383	1	bruker	bruker	PROPN
eurjchem-2602	383	2	(	(	PUNCT
eurjchem-2602	383	3	2002	2002	NUM
eurjchem-2602	383	4	)	)	PUNCT
eurjchem-2602	383	5	.	.	PUNCT
eurjchem-2602	384	1	saint	saint	PROPN
eurjchem-2602	384	2	.	.	PUNCT
eurjchem-2602	385	1	bruker	bruker	PROPN
eurjchem-2602	385	2	axs	axs	PROPN
eurjchem-2602	385	3	inc	inc	PROPN
eurjchem-2602	385	4	.	.	PROPN
eurjchem-2602	385	5	,	,	PUNCT
eurjchem-2602	385	6	madison	madison	PROPN
eurjchem-2602	385	7	,	,	PUNCT
eurjchem-2602	385	8	wisconsin	wisconsin	PROPN
eurjchem-2602	385	9	,	,	PUNCT
eurjchem-2602	385	10	usa	usa	PROPN
eurjchem-2602	385	11	.	.	PUNCT
eurjchem-2602	386	1	[	[	X
eurjchem-2602	386	2	28	28	NUM
eurjchem-2602	386	3	]	]	PUNCT
eurjchem-2602	386	4	.	.	PUNCT
eurjchem-2602	387	1	sheldrick	sheldrick	NOUN
eurjchem-2602	387	2	,	,	PUNCT
eurjchem-2602	387	3	g.	g.	PROPN
eurjchem-2602	387	4	m.	m.	PROPN
eurjchem-2602	387	5	crystal	crystal	PROPN
eurjchem-2602	387	6	structure	structure	NOUN
eurjchem-2602	387	7	refinement	refinement	NOUN
eurjchem-2602	387	8	with	with	ADP
eurjchem-2602	387	9	shelxl	shelxl	NOUN
eurjchem-2602	387	10	.	.	PUNCT
eurjchem-2602	388	1	acta	acta	PROPN
eurjchem-2602	388	2	crystallogr	crystallogr	PROPN
eurjchem-2602	388	3	c.	c.	PROPN
eurjchem-2602	388	4	struct	struct	NOUN
eurjchem-2602	388	5	chem	chem	NOUN
eurjchem-2602	388	6	2015	2015	NUM
eurjchem-2602	388	7	,	,	PUNCT
eurjchem-2602	388	8	71	71	NUM
eurjchem-2602	388	9	(	(	PUNCT
eurjchem-2602	388	10	1	1	NUM
eurjchem-2602	388	11	)	)	PUNCT
eurjchem-2602	388	12	,	,	PUNCT
eurjchem-2602	388	13	3–8	3–8	X
eurjchem-2602	388	14	.	.	PUNCT
eurjchem-2602	389	1	[	[	X
eurjchem-2602	389	2	29	29	NUM
eurjchem-2602	389	3	]	]	PUNCT
eurjchem-2602	389	4	.	.	PUNCT
eurjchem-2602	389	5	sheldrick	sheldrick	NOUN
eurjchem-2602	389	6	,	,	PUNCT
eurjchem-2602	389	7	g.	g.	PROPN
eurjchem-2602	389	8	m.	m.	PROPN
eurjchem-2602	389	9	a	a	DET
eurjchem-2602	389	10	short	short	ADJ
eurjchem-2602	389	11	history	history	NOUN
eurjchem-2602	389	12	of	of	ADP
eurjchem-2602	389	13	shelx	shelx	NOUN
eurjchem-2602	389	14	.	.	PUNCT
eurjchem-2602	390	1	acta	acta	PROPN
eurjchem-2602	390	2	crystallogr	crystallogr	PROPN
eurjchem-2602	390	3	a.	a.	PROPN
eurjchem-2602	390	4	found	find	VERB
eurjchem-2602	390	5	crystallogr	crystallogr	NOUN
eurjchem-2602	390	6	2007	2007	NUM
eurjchem-2602	390	7	,	,	PUNCT
eurjchem-2602	390	8	64	64	NUM
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eurjchem-2602	390	10	1	1	NUM
eurjchem-2602	390	11	)	)	PUNCT
eurjchem-2602	390	12	,	,	PUNCT
eurjchem-2602	390	13	112–122	112–122	NUM
eurjchem-2602	390	14	.	.	PUNCT
eurjchem-2602	391	1	[	[	X
eurjchem-2602	391	2	30	30	NUM
eurjchem-2602	391	3	]	]	PUNCT
eurjchem-2602	391	4	.	.	PUNCT
eurjchem-2602	392	1	ditchfield	ditchfield	PROPN
eurjchem-2602	392	2	,	,	PUNCT
eurjchem-2602	392	3	r.	r.	PROPN
eurjchem-2602	392	4	;	;	PUNCT
eurjchem-2602	392	5	hehre	hehre	PROPN
eurjchem-2602	392	6	,	,	PUNCT
eurjchem-2602	392	7	w.	w.	PROPN
eurjchem-2602	392	8	j.	j.	PROPN
eurjchem-2602	392	9	;	;	PUNCT
eurjchem-2602	392	10	pople	pople	PROPN
eurjchem-2602	392	11	,	,	PUNCT
eurjchem-2602	392	12	j.	j.	PROPN
eurjchem-2602	392	13	a.	a.	PROPN
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eurjchem-2602	394	4	-	-	PUNCT
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eurjchem-2602	394	6	basis	basis	NOUN
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eurjchem-2602	394	13	.	.	PUNCT
eurjchem-2602	395	1	j.	j.	PROPN
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eurjchem-2602	395	3	.	.	PUNCT
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eurjchem-2602	396	2	.	.	PUNCT
eurjchem-2602	397	1	1971	1971	NUM
eurjchem-2602	397	2	,	,	PUNCT
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eurjchem-2602	397	4	(	(	PUNCT
eurjchem-2602	397	5	2	2	NUM
eurjchem-2602	397	6	)	)	PUNCT
eurjchem-2602	397	7	,	,	PUNCT
eurjchem-2602	397	8	724	724	NUM
eurjchem-2602	397	9	–	–	PUNCT
eurjchem-2602	397	10	728	728	NUM
eurjchem-2602	397	11	.	.	PUNCT
eurjchem-2602	398	1	[	[	X
eurjchem-2602	398	2	31	31	NUM
eurjchem-2602	398	3	]	]	PUNCT
eurjchem-2602	398	4	.	.	PUNCT
eurjchem-2602	399	1	lee	lee	PROPN
eurjchem-2602	399	2	,	,	PUNCT
eurjchem-2602	399	3	c.	c.	PROPN
eurjchem-2602	399	4	;	;	PUNCT
eurjchem-2602	399	5	yang	yang	PROPN
eurjchem-2602	399	6	,	,	PUNCT
eurjchem-2602	399	7	w.	w.	PROPN
eurjchem-2602	399	8	;	;	PUNCT
eurjchem-2602	399	9	parr	parr	PROPN
eurjchem-2602	399	10	,	,	PUNCT
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eurjchem-2602	399	18	salvetti	salvetti	VERB
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eurjchem-2602	399	20	-	-	PUNCT
eurjchem-2602	399	21	energy	energy	NOUN
eurjchem-2602	399	22	formula	formula	NOUN
eurjchem-2602	399	23	into	into	ADP
eurjchem-2602	399	24	a	a	DET
eurjchem-2602	399	25	functional	functional	NOUN
eurjchem-2602	399	26	of	of	ADP
eurjchem-2602	399	27	the	the	DET
eurjchem-2602	399	28	electron	electron	NOUN
eurjchem-2602	399	29	density	density	NOUN
eurjchem-2602	399	30	.	.	PUNCT
eurjchem-2602	400	1	phys	phy	NOUN
eurjchem-2602	400	2	.	.	PUNCT
eurjchem-2602	401	1	rev	rev	PROPN
eurjchem-2602	401	2	.	.	PROPN
eurjchem-2602	401	3	b.	b.	PROPN
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eurjchem-2602	401	5	,	,	PUNCT
eurjchem-2602	401	6	37	37	NUM
eurjchem-2602	401	7	(	(	PUNCT
eurjchem-2602	401	8	2	2	NUM
eurjchem-2602	401	9	)	)	PUNCT
eurjchem-2602	401	10	,	,	PUNCT
eurjchem-2602	401	11	785–789	785–789	NUM
eurjchem-2602	401	12	.	.	PUNCT
eurjchem-2602	402	1	[	[	X
eurjchem-2602	402	2	32	32	NUM
eurjchem-2602	402	3	]	]	PUNCT
eurjchem-2602	402	4	.	.	PUNCT
eurjchem-2602	403	1	zhu	zhu	PROPN
eurjchem-2602	403	2	,	,	PUNCT
eurjchem-2602	403	3	y.	y.	PROPN
eurjchem-2602	403	4	;	;	PUNCT
eurjchem-2602	403	5	alqahtani	alqahtani	PROPN
eurjchem-2602	403	6	,	,	PUNCT
eurjchem-2602	403	7	s.	s.	PROPN
eurjchem-2602	403	8	;	;	PUNCT
eurjchem-2602	403	9	hu	hu	PROPN
eurjchem-2602	403	10	,	,	PUNCT
eurjchem-2602	403	11	x.	x.	AUX
eurjchem-2602	403	12	an	an	DET
eurjchem-2602	403	13	assessment	assessment	NOUN
eurjchem-2602	403	14	of	of	ADP
eurjchem-2602	403	15	dispersion	dispersion	NOUN
eurjchem-2602	403	16	-	-	PUNCT
eurjchem-2602	403	17	corrected	correct	VERB
eurjchem-2602	403	18	dft	dft	NOUN
eurjchem-2602	403	19	methods	method	NOUN
eurjchem-2602	403	20	for	for	ADP
eurjchem-2602	403	21	modeling	model	VERB
eurjchem-2602	403	22	nonbonded	nonbonde	VERB
eurjchem-2602	403	23	interactions	interaction	NOUN
eurjchem-2602	403	24	in	in	ADP
eurjchem-2602	403	25	protein	protein	NOUN
eurjchem-2602	403	26	kinase	kinase	NOUN
eurjchem-2602	403	27	inhibitor	inhibitor	NOUN
eurjchem-2602	403	28	complexes	complex	NOUN
eurjchem-2602	403	29	.	.	PUNCT
eurjchem-2602	404	1	molecules	molecule	NOUN
eurjchem-2602	404	2	2024	2024	NUM
eurjchem-2602	404	3	,	,	PUNCT
eurjchem-2602	404	4	29	29	NUM
eurjchem-2602	404	5	(	(	PUNCT
eurjchem-2602	404	6	2	2	NUM
eurjchem-2602	404	7	)	)	PUNCT
eurjchem-2602	404	8	,	,	PUNCT
eurjchem-2602	404	9	304	304	NUM
eurjchem-2602	404	10	.	.	PUNCT
eurjchem-2602	405	1	[	[	X
eurjchem-2602	405	2	33	33	NUM
eurjchem-2602	405	3	]	]	PUNCT
eurjchem-2602	405	4	.	.	PUNCT
eurjchem-2602	405	5	frisch	frisch	PROPN
eurjchem-2602	405	6	,	,	PUNCT
eurjchem-2602	405	7	m.	m.	NOUN
eurjchem-2602	405	8	j.	j.	PROPN
eurjchem-2602	405	9	;	;	PUNCT
eurjchem-2602	405	10	trucks	truck	NOUN
eurjchem-2602	405	11	,	,	PUNCT
eurjchem-2602	405	12	g.	g.	PROPN
eurjchem-2602	405	13	w.	w.	PROPN
eurjchem-2602	405	14	;	;	PUNCT
eurjchem-2602	405	15	schlegel	schlegel	PROPN
eurjchem-2602	405	16	,	,	PUNCT
eurjchem-2602	405	17	h.	h.	PROPN
eurjchem-2602	405	18	b.	b.	PROPN
eurjchem-2602	405	19	;	;	PUNCT
eurjchem-2602	405	20	scuseria	scuseria	PROPN
eurjchem-2602	405	21	,	,	PUNCT
eurjchem-2602	405	22	g.	g.	PROPN
eurjchem-2602	405	23	e.	e.	PROPN
eurjchem-2602	405	24	;	;	PUNCT
eurjchem-2602	405	25	robb	robb	NOUN
eurjchem-2602	405	26	,	,	PUNCT
eurjchem-2602	405	27	m.	m.	NOUN
eurjchem-2602	405	28	a.	a.	PROPN
eurjchem-2602	405	29	;	;	PUNCT
eurjchem-2602	405	30	cheeseman	cheeseman	PROPN
eurjchem-2602	405	31	,	,	PUNCT
eurjchem-2602	405	32	j.	j.	PROPN
eurjchem-2602	405	33	r.	r.	PROPN
eurjchem-2602	405	34	;	;	PUNCT
eurjchem-2602	405	35	montgomery	montgomery	PROPN
eurjchem-2602	405	36	,	,	PUNCT
eurjchem-2602	405	37	j.	j.	PROPN
eurjchem-2602	405	38	a.	a.	PROPN
eurjchem-2602	405	39	;	;	PUNCT
eurjchem-2602	405	40	vreven	vreven	VERB
eurjchem-2602	405	41	,	,	PUNCT
eurjchem-2602	405	42	t.	t.	PROPN
eurjchem-2602	405	43	;	;	PUNCT
eurjchem-2602	405	44	kudin	kudin	PROPN
eurjchem-2602	405	45	,	,	PUNCT
eurjchem-2602	405	46	k.	k.	PROPN
eurjchem-2602	405	47	n.	n.	PROPN
eurjchem-2602	405	48	;	;	PUNCT
eurjchem-2602	405	49	burant	burant	PROPN
eurjchem-2602	405	50	,	,	PUNCT
eurjchem-2602	405	51	j.	j.	PROPN
eurjchem-2602	405	52	c.	c.	PROPN
eurjchem-2602	405	53	;	;	PUNCT
eurjchem-2602	405	54	millam	millam	PROPN
eurjchem-2602	405	55	,	,	PUNCT
eurjchem-2602	405	56	j.	j.	PROPN
eurjchem-2602	405	57	m.	m.	PROPN
eurjchem-2602	405	58	;	;	PUNCT
eurjchem-2602	405	59	iyengar	iyengar	PROPN
eurjchem-2602	405	60	,	,	PUNCT
eurjchem-2602	405	61	s.	s.	PROPN
eurjchem-2602	405	62	s.	s.	PROPN
eurjchem-2602	405	63	;	;	PUNCT
eurjchem-2602	405	64	tomasi	tomasi	PROPN
eurjchem-2602	405	65	,	,	PUNCT
eurjchem-2602	405	66	j.	j.	PROPN
eurjchem-2602	405	67	;	;	PUNCT
eurjchem-2602	405	68	barone	barone	PROPN
eurjchem-2602	405	69	,	,	PUNCT
eurjchem-2602	405	70	v.	v.	PROPN
eurjchem-2602	405	71	;	;	PUNCT
eurjchem-2602	405	72	mennucci	mennucci	PROPN
eurjchem-2602	405	73	,	,	PUNCT
eurjchem-2602	405	74	b.	b.	PROPN
eurjchem-2602	405	75	;	;	PUNCT
eurjchem-2602	405	76	cossi	cossi	PROPN
eurjchem-2602	405	77	,	,	PUNCT
eurjchem-2602	405	78	m.	m.	NOUN
eurjchem-2602	405	79	;	;	PUNCT
eurjchem-2602	405	80	scalmani	scalmani	PROPN
eurjchem-2602	405	81	,	,	PUNCT
eurjchem-2602	405	82	g.	g.	PROPN
eurjchem-2602	405	83	;	;	PUNCT
eurjchem-2602	405	84	rega	rega	PROPN
eurjchem-2602	405	85	,	,	PUNCT
eurjchem-2602	405	86	n.	n.	NOUN
eurjchem-2602	405	87	;	;	PUNCT
eurjchem-2602	405	88	petersson	petersson	PROPN
eurjchem-2602	405	89	,	,	PUNCT
eurjchem-2602	405	90	g.	g.	PROPN
eurjchem-2602	405	91	a.	a.	PROPN
eurjchem-2602	405	92	;	;	PUNCT
eurjchem-2602	405	93	nakatsuji	nakatsuji	PROPN
eurjchem-2602	405	94	,	,	PUNCT
eurjchem-2602	405	95	h.	h.	PROPN
eurjchem-2602	405	96	;	;	PUNCT
eurjchem-2602	405	97	hada	hada	PROPN
eurjchem-2602	405	98	,	,	PUNCT
eurjchem-2602	405	99	m.	m.	NOUN
eurjchem-2602	405	100	;	;	PUNCT
eurjchem-2602	405	101	ehara	ehara	PROPN
eurjchem-2602	405	102	,	,	PUNCT
eurjchem-2602	405	103	m.	m.	NOUN
eurjchem-2602	405	104	;	;	PUNCT
eurjchem-2602	405	105	toyota	toyota	PROPN
eurjchem-2602	405	106	,	,	PUNCT
eurjchem-2602	405	107	k.	k.	PROPN
eurjchem-2602	405	108	;	;	PUNCT
eurjchem-2602	405	109	fukuda	fukuda	PROPN
eurjchem-2602	405	110	,	,	PUNCT
eurjchem-2602	405	111	r.	r.	PROPN
eurjchem-2602	405	112	;	;	PUNCT
eurjchem-2602	405	113	hasegawa	hasegawa	PROPN
eurjchem-2602	405	114	,	,	PUNCT
eurjchem-2602	405	115	j.	j.	PROPN
eurjchem-2602	405	116	;	;	PUNCT
eurjchem-2602	405	117	ishida	ishida	PROPN
eurjchem-2602	405	118	,	,	PUNCT
eurjchem-2602	405	119	m.	m.	NOUN
eurjchem-2602	405	120	;	;	PUNCT
eurjchem-2602	405	121	nakajima	nakajima	PROPN
eurjchem-2602	405	122	,	,	PUNCT
eurjchem-2602	405	123	t.	t.	PROPN
eurjchem-2602	405	124	;	;	PUNCT
eurjchem-2602	405	125	honda	honda	NOUN
eurjchem-2602	405	126	,	,	PUNCT
eurjchem-2602	405	127	y.	y.	PROPN
eurjchem-2602	405	128	;	;	PUNCT
eurjchem-2602	405	129	kitao	kitao	PROPN
eurjchem-2602	405	130	,	,	PUNCT
eurjchem-2602	405	131	o.	o.	PROPN
eurjchem-2602	405	132	;	;	PUNCT
eurjchem-2602	405	133	nakai	nakai	PROPN
eurjchem-2602	405	134	,	,	PUNCT
eurjchem-2602	405	135	h.	h.	PROPN
eurjchem-2602	405	136	;	;	PUNCT
eurjchem-2602	405	137	klene	klene	PROPN
eurjchem-2602	405	138	,	,	PUNCT
eurjchem-2602	405	139	m.	m.	NOUN
eurjchem-2602	405	140	;	;	PUNCT
eurjchem-2602	405	141	li	li	PROPN
eurjchem-2602	405	142	,	,	PUNCT
eurjchem-2602	405	143	x.	x.	PROPN
eurjchem-2602	405	144	;	;	PUNCT
eurjchem-2602	405	145	knox	knox	PROPN
eurjchem-2602	405	146	,	,	PUNCT
eurjchem-2602	405	147	j.	j.	PROPN
eurjchem-2602	405	148	e.	e.	PROPN
eurjchem-2602	405	149	;	;	PUNCT
eurjchem-2602	405	150	hratchian	hratchian	PROPN
eurjchem-2602	405	151	,	,	PUNCT
eurjchem-2602	405	152	h.	h.	PROPN
eurjchem-2602	405	153	p.	p.	PROPN
eurjchem-2602	405	154	;	;	PUNCT
eurjchem-2602	405	155	cross	cross	PROPN
eurjchem-2602	405	156	,	,	PUNCT
eurjchem-2602	405	157	j.	j.	PROPN
eurjchem-2602	405	158	b.	b.	PROPN
eurjchem-2602	405	159	;	;	PUNCT
eurjchem-2602	405	160	adamo	adamo	PROPN
eurjchem-2602	405	161	,	,	PUNCT
eurjchem-2602	405	162	c.	c.	PROPN
eurjchem-2602	405	163	;	;	PUNCT
eurjchem-2602	405	164	jaramillo	jaramillo	PROPN
eurjchem-2602	405	165	,	,	PUNCT
eurjchem-2602	405	166	j.	j.	PROPN
eurjchem-2602	405	167	;	;	PUNCT
eurjchem-2602	405	168	gomperts	gomperts	PROPN
eurjchem-2602	405	169	,	,	PUNCT
eurjchem-2602	405	170	r.	r.	PROPN
eurjchem-2602	405	171	;	;	PUNCT
eurjchem-2602	405	172	stratmann	stratmann	PROPN
eurjchem-2602	405	173	,	,	PUNCT
eurjchem-2602	405	174	r.	r.	PROPN
eurjchem-2602	405	175	e.	e.	PROPN
eurjchem-2602	405	176	;	;	PUNCT
eurjchem-2602	405	177	yazyev	yazyev	PROPN
eurjchem-2602	405	178	,	,	PUNCT
eurjchem-2602	405	179	o.	o.	PROPN
eurjchem-2602	405	180	;	;	PUNCT
eurjchem-2602	405	181	austin	austin	PROPN
eurjchem-2602	405	182	,	,	PUNCT
eurjchem-2602	405	183	a.	a.	PROPN
eurjchem-2602	405	184	j.	j.	PROPN
eurjchem-2602	405	185	;	;	PUNCT
eurjchem-2602	405	186	cammi	cammi	PROPN
eurjchem-2602	405	187	,	,	PUNCT
eurjchem-2602	405	188	r.	r.	PROPN
eurjchem-2602	405	189	;	;	PUNCT
eurjchem-2602	405	190	pomelli	pomelli	PROPN
eurjchem-2602	405	191	,	,	PUNCT
eurjchem-2602	405	192	c.	c.	NOUN
eurjchem-2602	405	193	;	;	PUNCT
eurjchem-2602	405	194	ochterski	ochterski	PROPN
eurjchem-2602	405	195	,	,	PUNCT
eurjchem-2602	405	196	j.	j.	PROPN
eurjchem-2602	405	197	w.	w.	PROPN
eurjchem-2602	405	198	;	;	PUNCT
eurjchem-2602	405	199	ayala	ayala	PROPN
eurjchem-2602	405	200	,	,	PUNCT
eurjchem-2602	405	201	p.	p.	PROPN
eurjchem-2602	405	202	y.	y.	PROPN
eurjchem-2602	405	203	;	;	PUNCT
eurjchem-2602	405	204	morokuma	morokuma	PROPN
eurjchem-2602	405	205	,	,	PUNCT
eurjchem-2602	405	206	k.	k.	PROPN
eurjchem-2602	405	207	;	;	PUNCT
eurjchem-2602	405	208	voth	voth	PROPN
eurjchem-2602	405	209	,	,	PUNCT
eurjchem-2602	405	210	g.	g.	PROPN
eurjchem-2602	405	211	a.	a.	PROPN
eurjchem-2602	405	212	;	;	PUNCT
eurjchem-2602	405	213	salvador	salvador	PROPN
eurjchem-2602	405	214	,	,	PUNCT
eurjchem-2602	405	215	p.	p.	PROPN
eurjchem-2602	405	216	;	;	PUNCT
eurjchem-2602	405	217	dannenberg	dannenberg	PROPN
eurjchem-2602	405	218	,	,	PUNCT
eurjchem-2602	405	219	j.	j.	PROPN
eurjchem-2602	405	220	j.	j.	PROPN
eurjchem-2602	405	221	;	;	PUNCT
eurjchem-2602	405	222	zakrzewski	zakrzewski	PROPN
eurjchem-2602	405	223	,	,	PUNCT
eurjchem-2602	405	224	v.	v.	PROPN
eurjchem-2602	405	225	g.	g.	PROPN
eurjchem-2602	405	226	;	;	PUNCT
eurjchem-2602	405	227	dapprich	dapprich	PROPN
eurjchem-2602	405	228	,	,	PUNCT
eurjchem-2602	405	229	s.	s.	PROPN
eurjchem-2602	405	230	;	;	PUNCT
eurjchem-2602	405	231	daniels	daniels	PROPN
eurjchem-2602	405	232	,	,	PUNCT
eurjchem-2602	405	233	a.	a.	PROPN
eurjchem-2602	405	234	d.	d.	PROPN
eurjchem-2602	405	235	;	;	PUNCT
eurjchem-2602	405	236	strain	strain	NOUN
eurjchem-2602	405	237	,	,	PUNCT
eurjchem-2602	405	238	m.	m.	NOUN
eurjchem-2602	405	239	c.	c.	PROPN
eurjchem-2602	405	240	;	;	PUNCT
eurjchem-2602	405	241	farkas	farkas	PROPN
eurjchem-2602	405	242	,	,	PUNCT
eurjchem-2602	405	243	o.	o.	PROPN
eurjchem-2602	405	244	;	;	PUNCT
eurjchem-2602	405	245	malick	malick	PROPN
eurjchem-2602	405	246	,	,	PUNCT
eurjchem-2602	405	247	d.	d.	PROPN
eurjchem-2602	405	248	k.	k.	PROPN
eurjchem-2602	405	249	;	;	PUNCT
eurjchem-2602	405	250	rabuck	rabuck	VERB
eurjchem-2602	405	251	,	,	PUNCT
eurjchem-2602	405	252	a.	a.	PROPN
eurjchem-2602	405	253	d.	d.	PROPN
eurjchem-2602	405	254	;	;	PUNCT
eurjchem-2602	405	255	raghavachari	raghavachari	PROPN
eurjchem-2602	405	256	,	,	PUNCT
eurjchem-2602	405	257	k	k	PROPN
eurjchem-2602	405	258	;	;	PUNCT
eurjchem-2602	405	259	foresman	foresman	PROPN
eurjchem-2602	405	260	,	,	PUNCT
eurjchem-2602	405	261	j.	j.	PROPN
eurjchem-2602	405	262	b.	b.	PROPN
eurjchem-2602	405	263	;	;	PUNCT
eurjchem-2602	405	264	ortiz	ortiz	PROPN
eurjchem-2602	405	265	,	,	PUNCT
eurjchem-2602	405	266	j.	j.	PROPN
eurjchem-2602	405	267	v.	v.	PROPN
eurjchem-2602	405	268	;	;	PUNCT
eurjchem-2602	405	269	cui	cui	PROPN
eurjchem-2602	405	270	,	,	PUNCT
eurjchem-2602	405	271	q.	q.	PROPN
eurjchem-2602	405	272	;	;	PUNCT
eurjchem-2602	405	273	baboul	baboul	ADJ
eurjchem-2602	405	274	,	,	PUNCT
eurjchem-2602	405	275	a.	a.	NOUN
eurjchem-2602	405	276	g.	g.	PROPN
eurjchem-2602	405	277	;	;	PUNCT
eurjchem-2602	405	278	clifford	clifford	PROPN
eurjchem-2602	405	279	,	,	PUNCT
eurjchem-2602	405	280	s.	s.	PROPN
eurjchem-2602	405	281	;	;	PUNCT
eurjchem-2602	405	282	cioslowski	cioslowski	PROPN
eurjchem-2602	405	283	,	,	PUNCT
eurjchem-2602	405	284	j.	j.	PROPN
eurjchem-2602	405	285	;	;	PUNCT
eurjchem-2602	405	286	stefanov	stefanov	PROPN
eurjchem-2602	405	287	,	,	PUNCT
eurjchem-2602	405	288	b.	b.	PROPN
eurjchem-2602	405	289	b.	b.	PROPN
eurjchem-2602	405	290	;	;	PUNCT
eurjchem-2602	406	1	liu	liu	PROPN
eurjchem-2602	406	2	,	,	PUNCT
eurjchem-2602	406	3	g.	g.	PROPN
eurjchem-2602	406	4	;	;	PUNCT
eurjchem-2602	406	5	liashenko	liashenko	PROPN
eurjchem-2602	406	6	,	,	PUNCT
eurjchem-2602	406	7	a.	a.	NOUN
eurjchem-2602	406	8	;	;	PUNCT
eurjchem-2602	406	9	piskorz	piskorz	PROPN
eurjchem-2602	406	10	,	,	PUNCT
eurjchem-2602	406	11	p.	p.	NOUN
eurjchem-2602	406	12	;	;	PUNCT
eurjchem-2602	406	13	komaromi	komaromi	NOUN
eurjchem-2602	406	14	,	,	PUNCT
eurjchem-2602	406	15	i.	i.	NOUN
eurjchem-2602	406	16	;	;	PUNCT
eurjchem-2602	406	17	martin	martin	PROPN
eurjchem-2602	406	18	,	,	PUNCT
eurjchem-2602	406	19	r.	r.	PROPN
eurjchem-2602	406	20	l.	l.	PROPN
eurjchem-2602	406	21	;	;	PUNCT
eurjchem-2602	406	22	fox	fox	PROPN
eurjchem-2602	406	23	,	,	PUNCT
eurjchem-2602	406	24	d.	d.	PROPN
eurjchem-2602	406	25	j.	j.	PROPN
eurjchem-2602	406	26	;	;	PUNCT
eurjchem-2602	406	27	keith	keith	PROPN
eurjchem-2602	406	28	,	,	PUNCT
eurjchem-2602	406	29	t.	t.	PROPN
eurjchem-2602	406	30	;	;	PUNCT
eurjchem-2602	406	31	al	al	PROPN
eurjchem-2602	406	32	-	-	PUNCT
eurjchem-2602	406	33	laham	laham	PROPN
eurjchem-2602	406	34	,	,	PUNCT
eurjchem-2602	406	35	m.	m.	NOUN
eurjchem-2602	406	36	a.	a.	PROPN
eurjchem-2602	406	37	;	;	PUNCT
eurjchem-2602	406	38	peng	peng	PROPN
eurjchem-2602	406	39	,	,	PUNCT
eurjchem-2602	406	40	c.	c.	PROPN
eurjchem-2602	406	41	y.	y.	PROPN
eurjchem-2602	406	42	;	;	PUNCT
eurjchem-2602	406	43	nanayakkara	nanayakkara	PROPN
eurjchem-2602	406	44	,	,	PUNCT
eurjchem-2602	406	45	a.	a.	NOUN
eurjchem-2602	406	46	;	;	PUNCT
eurjchem-2602	406	47	challacombe	challacombe	ADJ
eurjchem-2602	406	48	,	,	PUNCT
eurjchem-2602	406	49	m.	m.	NOUN
eurjchem-2602	406	50	;	;	PUNCT
eurjchem-2602	406	51	gill	gill	PROPN
eurjchem-2602	406	52	,	,	PUNCT
eurjchem-2602	406	53	p.	p.	PROPN
eurjchem-2602	406	54	m.	m.	PROPN
eurjchem-2602	406	55	w.	w.	PROPN
eurjchem-2602	406	56	;	;	PUNCT
eurjchem-2602	406	57	johnson	johnson	PROPN
eurjchem-2602	406	58	,	,	PUNCT
eurjchem-2602	406	59	b.	b.	PROPN
eurjchem-2602	406	60	;	;	PUNCT
eurjchem-2602	406	61	chen	chen	PROPN
eurjchem-2602	406	62	,	,	PUNCT
eurjchem-2602	406	63	w.	w.	PROPN
eurjchem-2602	406	64	;	;	PUNCT
eurjchem-2602	406	65	wong	wong	PROPN
eurjchem-2602	406	66	,	,	PUNCT
eurjchem-2602	406	67	m.	m.	PROPN
eurjchem-2602	406	68	w.	w.	PROPN
eurjchem-2602	406	69	;	;	PUNCT
eurjchem-2602	406	70	gonzalez	gonzalez	PROPN
eurjchem-2602	406	71	,	,	PUNCT
eurjchem-2602	406	72	c.	c.	PROPN
eurjchem-2602	406	73	;	;	PUNCT
eurjchem-2602	406	74	pople	pople	PROPN
eurjchem-2602	406	75	,	,	PUNCT
eurjchem-2602	406	76	j.	j.	PROPN
eurjchem-2602	406	77	a.	a.	PROPN
eurjchem-2602	406	78	gaussian	gaussian	PROPN
eurjchem-2602	406	79	09	09	NUM
eurjchem-2602	406	80	,	,	PUNCT
eurjchem-2602	406	81	revision	revision	NOUN
eurjchem-2602	406	82	a.02	a.02	NOUN
eurjchem-2602	406	83	;	;	PUNCT
eurjchem-2602	406	84	gaussian	gaussian	PROPN
eurjchem-2602	406	85	,	,	PUNCT
eurjchem-2602	406	86	inc	inc	PROPN
eurjchem-2602	406	87	.	.	PROPN
eurjchem-2602	406	88	,	,	PUNCT
eurjchem-2602	406	89	wallingford	wallingford	PROPN
eurjchem-2602	406	90	ct	ct	PROPN
eurjchem-2602	406	91	,	,	PUNCT
eurjchem-2602	406	92	2004	2004	NUM
eurjchem-2602	406	93	.	.	PUNCT
eurjchem-2602	407	1	[	[	X
eurjchem-2602	407	2	34	34	NUM
eurjchem-2602	407	3	]	]	PUNCT
eurjchem-2602	407	4	.	.	PUNCT
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eurjchem-2602	408	2	,	,	PUNCT
eurjchem-2602	408	3	r.	r.	PROPN
eurjchem-2602	408	4	;	;	PUNCT
eurjchem-2602	408	5	keith	keith	PROPN
eurjchem-2602	408	6	,	,	PUNCT
eurjchem-2602	408	7	t.	t.	PROPN
eurjchem-2602	408	8	a.	a.	NOUN
eurjchem-2602	408	9	;	;	PUNCT
eurjchem-2602	408	10	millam	millam	PROPN
eurjchem-2602	408	11	,	,	PUNCT
eurjchem-2602	408	12	j.	j.	PROPN
eurjchem-2602	408	13	m.	m.	PROPN
eurjchem-2602	408	14	gaussview	gaussview	PROPN
eurjchem-2602	408	15	,	,	PUNCT
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eurjchem-2602	408	18	,	,	PUNCT
eurjchem-2602	408	19	semichem	semichem	PROPN
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eurjchem-2602	408	21	.	.	PROPN
eurjchem-2602	408	22	;	;	PUNCT
eurjchem-2602	408	23	shawnee	shawnee	NOUN
eurjchem-2602	408	24	mission	mission	NOUN
eurjchem-2602	408	25	,	,	PUNCT
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eurjchem-2602	408	29	.	.	PUNCT
eurjchem-2602	409	1	[	[	X
eurjchem-2602	409	2	35	35	NUM
eurjchem-2602	409	3	]	]	SYM
eurjchem-2602	409	4	.	.	PUNCT
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eurjchem-2602	410	2	,	,	PUNCT
eurjchem-2602	410	3	p.	p.	PROPN
eurjchem-2602	410	4	r.	r.	PROPN
eurjchem-2602	410	5	;	;	PUNCT
eurjchem-2602	410	6	turner	turner	PROPN
eurjchem-2602	410	7	,	,	PUNCT
eurjchem-2602	410	8	m.	m.	PROPN
eurjchem-2602	410	9	j.	j.	PROPN
eurjchem-2602	410	10	;	;	PUNCT
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eurjchem-2602	410	13	j.	j.	PROPN
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eurjchem-2602	410	15	;	;	PUNCT
eurjchem-2602	410	16	wolff	wolff	PROPN
eurjchem-2602	410	17	,	,	PUNCT
eurjchem-2602	410	18	s.	s.	PROPN
eurjchem-2602	410	19	k.	k.	PROPN
eurjchem-2602	410	20	;	;	PUNCT
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eurjchem-2602	410	22	,	,	PUNCT
eurjchem-2602	410	23	d.	d.	PROPN
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eurjchem-2602	410	25	;	;	PUNCT
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eurjchem-2602	410	27	,	,	PUNCT
eurjchem-2602	410	28	d.	d.	PROPN
eurjchem-2602	410	29	;	;	PUNCT
eurjchem-2602	410	30	spackman	spackman	NOUN
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eurjchem-2602	411	7	(	(	PUNCT
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eurjchem-2602	411	10	,	,	PUNCT
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eurjchem-2602	412	1	[	[	X
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eurjchem-2602	412	3	]	]	PUNCT
eurjchem-2602	412	4	.	.	PUNCT
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eurjchem-2602	413	4	;	;	PUNCT
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eurjchem-2602	413	6	,	,	PUNCT
eurjchem-2602	413	7	j.	j.	PROPN
eurjchem-2602	413	8	;	;	PUNCT
eurjchem-2602	413	9	seiffert	seiffert	PROPN
eurjchem-2602	413	10	,	,	PUNCT
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eurjchem-2602	413	12	;	;	PUNCT
eurjchem-2602	413	13	boldog	boldog	NOUN
eurjchem-2602	413	14	,	,	PUNCT
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eurjchem-2602	413	27	:	:	PUNCT
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eurjchem-2602	413	35	carboxamide	carboxamide	NOUN
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eurjchem-2602	413	37	.	.	PUNCT
eurjchem-2602	414	1	crystals	crystal	NOUN
eurjchem-2602	414	2	2024	2024	NUM
eurjchem-2602	414	3	,	,	PUNCT
eurjchem-2602	414	4	14	14	NUM
eurjchem-2602	414	5	(	(	PUNCT
eurjchem-2602	414	6	9	9	NUM
eurjchem-2602	414	7	)	)	PUNCT
eurjchem-2602	414	8	,	,	PUNCT
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eurjchem-2602	414	10	.	.	PUNCT
eurjchem-2602	415	1	[	[	X
eurjchem-2602	415	2	37	37	NUM
eurjchem-2602	415	3	]	]	PUNCT
eurjchem-2602	415	4	.	.	PUNCT
eurjchem-2602	416	1	chen	chen	PROPN
eurjchem-2602	416	2	,	,	PUNCT
eurjchem-2602	416	3	c.	c.	PROPN
eurjchem-2602	416	4	;	;	PUNCT
eurjchem-2602	416	5	hubbard	hubbard	PROPN
eurjchem-2602	416	6	,	,	PUNCT
eurjchem-2602	416	7	p.	p.	NOUN
eurjchem-2602	416	8	a.	a.	NOUN
eurjchem-2602	416	9	;	;	PUNCT
eurjchem-2602	416	10	salazar	salazar	PROPN
eurjchem-2602	416	11	,	,	PUNCT
eurjchem-2602	416	12	l.	l.	PROPN
eurjchem-2602	416	13	m.	m.	PROPN
eurjchem-2602	416	14	;	;	PUNCT
eurjchem-2602	416	15	mclachlan	mclachlan	PROPN
eurjchem-2602	416	16	,	,	PUNCT
eurjchem-2602	416	17	s.	s.	PROPN
eurjchem-2602	416	18	m.	m.	PROPN
eurjchem-2602	416	19	;	;	PUNCT
eurjchem-2602	416	20	murali	murali	PROPN
eurjchem-2602	416	21	,	,	PUNCT
eurjchem-2602	416	22	r.	r.	PROPN
eurjchem-2602	416	23	;	;	PUNCT
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eurjchem-2602	416	25	,	,	PUNCT
eurjchem-2602	416	26	b.	b.	PROPN
eurjchem-2602	416	27	crystal	crystal	PROPN
eurjchem-2602	416	28	structure	structure	NOUN
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eurjchem-2602	416	30	a	a	DET
eurjchem-2602	416	31	tsh	tsh	NOUN
eurjchem-2602	416	32	receptor	receptor	NOUN
eurjchem-2602	416	33	monoclonal	monoclonal	NOUN
eurjchem-2602	416	34	antibody	antibody	NOUN
eurjchem-2602	416	35	:	:	PUNCT
eurjchem-2602	416	36	insight	insight	NOUN
eurjchem-2602	416	37	into	into	ADP
eurjchem-2602	416	38	graves	grave	NOUN
eurjchem-2602	416	39	'	'	PART
eurjchem-2602	416	40	disease	disease	NOUN
eurjchem-2602	416	41	pathogenesis	pathogenesis	NOUN
eurjchem-2602	416	42	.	.	PUNCT
eurjchem-2602	417	1	mol	mol	PROPN
eurjchem-2602	417	2	.	.	PROPN
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eurjchem-2602	417	4	.	.	PUNCT
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eurjchem-2602	418	2	,	,	PUNCT
eurjchem-2602	418	3	29	29	NUM
eurjchem-2602	418	4	(	(	PUNCT
eurjchem-2602	418	5	1	1	NUM
eurjchem-2602	418	6	)	)	PUNCT
eurjchem-2602	418	7	,	,	PUNCT
eurjchem-2602	418	8	99–107	99–107	PROPN
eurjchem-2602	418	9	.	.	PUNCT
eurjchem-2602	419	1	[	[	X
eurjchem-2602	419	2	38	38	NUM
eurjchem-2602	419	3	]	]	PUNCT
eurjchem-2602	419	4	.	.	PUNCT
eurjchem-2602	420	1	berman	berman	PROPN
eurjchem-2602	420	2	,	,	PUNCT
eurjchem-2602	420	3	h.	h.	PROPN
eurjchem-2602	420	4	;	;	PUNCT
eurjchem-2602	420	5	henrick	henrick	PROPN
eurjchem-2602	420	6	,	,	PUNCT
eurjchem-2602	420	7	k.	k.	PROPN
eurjchem-2602	420	8	;	;	PUNCT
eurjchem-2602	420	9	nakamura	nakamura	PROPN
eurjchem-2602	420	10	,	,	PUNCT
eurjchem-2602	420	11	h.	h.	PROPN
eurjchem-2602	420	12	announcing	announce	VERB
eurjchem-2602	420	13	the	the	DET
eurjchem-2602	420	14	worldwide	worldwide	ADJ
eurjchem-2602	420	15	protein	protein	NOUN
eurjchem-2602	420	16	data	datum	NOUN
eurjchem-2602	420	17	bank	bank	PROPN
eurjchem-2602	420	18	.	.	PUNCT
eurjchem-2602	421	1	nat	nat	PROPN
eurjchem-2602	421	2	struct	struct	NOUN
eurjchem-2602	421	3	mol	mol	ADP
eurjchem-2602	421	4	biol	biol	PROPN
eurjchem-2602	421	5	2003	2003	NUM
eurjchem-2602	421	6	,	,	PUNCT
eurjchem-2602	421	7	10	10	NUM
eurjchem-2602	421	8	(	(	PUNCT
eurjchem-2602	421	9	12	12	NUM
eurjchem-2602	421	10	)	)	PUNCT
eurjchem-2602	421	11	,	,	PUNCT
eurjchem-2602	421	12	980–980	980–980	NUM
eurjchem-2602	421	13	.	.	PUNCT
eurjchem-2602	422	1	[	[	X
eurjchem-2602	422	2	39	39	NUM
eurjchem-2602	422	3	]	]	PUNCT
eurjchem-2602	422	4	.	.	PUNCT
eurjchem-2602	423	1	meng	meng	PROPN
eurjchem-2602	423	2	,	,	PUNCT
eurjchem-2602	423	3	x.	x.	PROPN
eurjchem-2602	423	4	;	;	PUNCT
eurjchem-2602	423	5	zhang	zhang	PROPN
eurjchem-2602	423	6	,	,	PUNCT
eurjchem-2602	423	7	h.	h.	PROPN
eurjchem-2602	423	8	;	;	PUNCT
eurjchem-2602	423	9	mezei	mezei	NOUN
eurjchem-2602	423	10	,	,	PUNCT
eurjchem-2602	423	11	m.	m.	NOUN
eurjchem-2602	423	12	;	;	PUNCT
eurjchem-2602	423	13	cui	cui	NOUN
eurjchem-2602	423	14	,	,	PUNCT
eurjchem-2602	423	15	m.	m.	NOUN
eurjchem-2602	423	16	molecular	molecular	ADJ
eurjchem-2602	423	17	docking	docking	NOUN
eurjchem-2602	423	18	:	:	PUNCT
eurjchem-2602	423	19	a	a	DET
eurjchem-2602	423	20	powerful	powerful	ADJ
eurjchem-2602	423	21	approach	approach	NOUN
eurjchem-2602	423	22	for	for	ADP
eurjchem-2602	423	23	structure	structure	NOUN
eurjchem-2602	423	24	-	-	PUNCT
eurjchem-2602	423	25	based	base	VERB
eurjchem-2602	423	26	drug	drug	NOUN
eurjchem-2602	423	27	discovery	discovery	NOUN
eurjchem-2602	423	28	.	.	PUNCT
eurjchem-2602	424	1	cad	cad	PROPN
eurjchem-2602	424	2	.	.	PROPN
eurjchem-2602	424	3	2011	2011	NUM
eurjchem-2602	424	4	,	,	PUNCT
eurjchem-2602	424	5	7	7	NUM
eurjchem-2602	424	6	(	(	PUNCT
eurjchem-2602	424	7	2	2	NUM
eurjchem-2602	424	8	)	)	PUNCT
eurjchem-2602	424	9	,	,	PUNCT
eurjchem-2602	424	10	146	146	NUM
eurjchem-2602	424	11	–	–	SYM
eurjchem-2602	424	12	157	157	NUM
eurjchem-2602	424	13	.	.	PUNCT
eurjchem-2602	425	1	[	[	X
eurjchem-2602	425	2	40	40	NUM
eurjchem-2602	425	3	]	]	PUNCT
eurjchem-2602	425	4	.	.	PUNCT
eurjchem-2602	426	1	ghoorah	ghoorah	PROPN
eurjchem-2602	426	2	,	,	PUNCT
eurjchem-2602	426	3	a.	a.	PROPN
eurjchem-2602	426	4	w.	w.	PROPN
eurjchem-2602	426	5	;	;	PUNCT
eurjchem-2602	426	6	devignes	devigne	NOUN
eurjchem-2602	426	7	,	,	PUNCT
eurjchem-2602	426	8	m.	m.	NOUN
eurjchem-2602	426	9	;	;	PUNCT
eurjchem-2602	426	10	smaïl	smaïl	NOUN
eurjchem-2602	426	11	-	-	PUNCT
eurjchem-2602	426	12	tabbone	tabbone	NOUN
eurjchem-2602	426	13	,	,	PUNCT
eurjchem-2602	426	14	m.	m.	NOUN
eurjchem-2602	426	15	;	;	PUNCT
eurjchem-2602	426	16	ritchie	ritchie	PROPN
eurjchem-2602	426	17	,	,	PUNCT
eurjchem-2602	426	18	d.	d.	PROPN
eurjchem-2602	426	19	w.	w.	PROPN
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eurjchem-2602	426	21	docking	docking	NOUN
eurjchem-2602	426	22	using	use	VERB
eurjchem-2602	426	23	case	case	NOUN
eurjchem-2602	426	24	-	-	PUNCT
eurjchem-2602	426	25	based	base	VERB
eurjchem-2602	426	26	reasoning	reasoning	NOUN
eurjchem-2602	426	27	.	.	PUNCT
eurjchem-2602	427	1	proteins	protein	NOUN
eurjchem-2602	427	2	2013	2013	NUM
eurjchem-2602	427	3	,	,	PUNCT
eurjchem-2602	427	4	81	81	NUM
eurjchem-2602	427	5	(	(	PUNCT
eurjchem-2602	427	6	12	12	NUM
eurjchem-2602	427	7	)	)	PUNCT
eurjchem-2602	427	8	,	,	PUNCT
eurjchem-2602	427	9	2150	2150	NUM
eurjchem-2602	427	10	–	–	PUNCT
eurjchem-2602	427	11	2158	2158	NUM
eurjchem-2602	427	12	.	.	PUNCT
eurjchem-2602	428	1	[	[	X
eurjchem-2602	428	2	41	41	NUM
eurjchem-2602	428	3	]	]	PUNCT
eurjchem-2602	428	4	.	.	PUNCT
eurjchem-2602	429	1	azgaou	azgaou	PROPN
eurjchem-2602	429	2	,	,	PUNCT
eurjchem-2602	429	3	k.	k.	PROPN
eurjchem-2602	429	4	;	;	PUNCT
eurjchem-2602	429	5	ettahiri	ettahiri	PROPN
eurjchem-2602	429	6	,	,	PUNCT
eurjchem-2602	429	7	w.	w.	PROPN
eurjchem-2602	429	8	;	;	PUNCT
eurjchem-2602	429	9	ech	ech	PROPN
eurjchem-2602	429	10	-	-	PUNCT
eurjchem-2602	429	11	chihbi	chihbi	PROPN
eurjchem-2602	429	12	,	,	PUNCT
eurjchem-2602	429	13	e.	e.	PROPN
eurjchem-2602	429	14	;	;	PUNCT
eurjchem-2602	429	15	adardour	adardour	NOUN
eurjchem-2602	429	16	,	,	PUNCT
eurjchem-2602	429	17	m.	m.	NOUN
eurjchem-2602	429	18	;	;	PUNCT
eurjchem-2602	429	19	azam	azam	PROPN
eurjchem-2602	429	20	,	,	PUNCT
eurjchem-2602	429	21	m.	m.	NOUN
eurjchem-2602	429	22	;	;	PUNCT
eurjchem-2602	429	23	benmessaoud	benmessaoud	NOUN
eurjchem-2602	429	24	,	,	PUNCT
eurjchem-2602	429	25	m.	m.	NOUN
eurjchem-2602	429	26	;	;	PUNCT
eurjchem-2602	429	27	baouid	baouid	NOUN
eurjchem-2602	429	28	,	,	PUNCT
eurjchem-2602	429	29	a.	a.	NOUN
eurjchem-2602	429	30	;	;	PUNCT
eurjchem-2602	429	31	min	min	PROPN
eurjchem-2602	429	32	,	,	PUNCT
eurjchem-2602	429	33	k.	k.	PROPN
eurjchem-2602	429	34	;	;	PUNCT
eurjchem-2602	429	35	el	el	PROPN
eurjchem-2602	429	36	hajjaji	hajjaji	PROPN
eurjchem-2602	429	37	,	,	PUNCT
eurjchem-2602	429	38	s.	s.	PROPN
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eurjchem-2602	429	40	and	and	CCONJ
eurjchem-2602	429	41	computational	computational	ADJ
eurjchem-2602	429	42	study	study	NOUN
eurjchem-2602	429	43	of	of	ADP
eurjchem-2602	429	44	newly	newly	ADV
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eurjchem-2602	429	46	benzimidazole	benzimidazole	ADJ
eurjchem-2602	429	47	derivatives	derivative	NOUN
eurjchem-2602	429	48	as	as	ADP
eurjchem-2602	429	49	corrosion	corrosion	NOUN
eurjchem-2602	429	50	inhibitors	inhibitor	NOUN
eurjchem-2602	429	51	for	for	ADP
eurjchem-2602	429	52	mild	mild	ADJ
eurjchem-2602	429	53	steel	steel	NOUN
eurjchem-2602	429	54	in	in	ADP
eurjchem-2602	429	55	1.0	1.0	NUM
eurjchem-2602	429	56	m	m	NOUN
eurjchem-2602	429	57	hcl	hcl	NOUN
eurjchem-2602	429	58	:	:	PUNCT
eurjchem-2602	429	59	electrochemical	electrochemical	ADJ
eurjchem-2602	429	60	,	,	PUNCT
eurjchem-2602	429	61	surface	surface	NOUN
eurjchem-2602	429	62	studies	study	NOUN
eurjchem-2602	429	63	,	,	PUNCT
eurjchem-2602	429	64	dft	dft	PROPN
eurjchem-2602	429	65	modeling	modeling	NOUN
eurjchem-2602	429	66	,	,	PUNCT
eurjchem-2602	429	67	and	and	CCONJ
eurjchem-2602	429	68	mc	mc	PROPN
eurjchem-2602	429	69	simulation	simulation	PROPN
eurjchem-2602	429	70	.	.	PUNCT
eurjchem-2602	430	1	j.	j.	PROPN
eurjchem-2602	430	2	electroanal	electroanal	PROPN
eurjchem-2602	430	3	.	.	PUNCT
eurjchem-2602	431	1	chem	chem	PROPN
eurjchem-2602	431	2	.	.	PUNCT
eurjchem-2602	432	1	2024	2024	NUM
eurjchem-2602	432	2	,	,	PUNCT
eurjchem-2602	432	3	974	974	NUM
eurjchem-2602	432	4	,	,	PUNCT
eurjchem-2602	432	5	118699	118699	NUM
eurjchem-2602	432	6	.	.	PUNCT
eurjchem-2602	433	1	[	[	X
eurjchem-2602	433	2	42	42	NUM
eurjchem-2602	433	3	]	]	PUNCT
eurjchem-2602	433	4	.	.	PUNCT
eurjchem-2602	434	1	guendouz	guendouz	PROPN
eurjchem-2602	434	2	,	,	PUNCT
eurjchem-2602	434	3	a.	a.	NOUN
eurjchem-2602	434	4	;	;	PUNCT
eurjchem-2602	434	5	ettahiri	ettahiri	NOUN
eurjchem-2602	434	6	,	,	PUNCT
eurjchem-2602	434	7	w.	w.	PROPN
eurjchem-2602	434	8	;	;	PUNCT
eurjchem-2602	434	9	adardour	adardour	NOUN
eurjchem-2602	434	10	,	,	PUNCT
eurjchem-2602	434	11	m.	m.	NOUN
eurjchem-2602	434	12	;	;	PUNCT
eurjchem-2602	434	13	lazrak	lazrak	PROPN
eurjchem-2602	434	14	,	,	PUNCT
eurjchem-2602	434	15	j.	j.	PROPN
eurjchem-2602	434	16	;	;	PUNCT
eurjchem-2602	434	17	assiri	assiri	PROPN
eurjchem-2602	434	18	,	,	PUNCT
eurjchem-2602	434	19	e.	e.	PROPN
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eurjchem-2602	434	21	;	;	PUNCT
eurjchem-2602	434	22	taleb	taleb	PROPN
eurjchem-2602	434	23	,	,	PUNCT
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eurjchem-2602	434	25	;	;	PUNCT
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eurjchem-2602	434	27	,	,	PUNCT
eurjchem-2602	434	28	b.	b.	PROPN
eurjchem-2602	434	29	;	;	PUNCT
eurjchem-2602	434	30	rais	rais	PROPN
eurjchem-2602	434	31	,	,	PUNCT
eurjchem-2602	434	32	z.	z.	PROPN
eurjchem-2602	434	33	;	;	PUNCT
eurjchem-2602	434	34	baouid	baouid	NOUN
eurjchem-2602	434	35	,	,	PUNCT
eurjchem-2602	434	36	a.	a.	NOUN
eurjchem-2602	434	37	;	;	PUNCT
eurjchem-2602	434	38	taleb	taleb	NOUN
eurjchem-2602	434	39	,	,	PUNCT
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eurjchem-2602	434	49	mild	mild	ADJ
eurjchem-2602	434	50	steel	steel	NOUN
eurjchem-2602	434	51	corrosion	corrosion	NOUN
eurjchem-2602	434	52	in	in	ADP
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eurjchem-2602	434	58	/	/	SYM
eurjchem-2602	434	59	european	european	PROPN
eurjchem-2602	434	60	journal	journal	PROPN
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eurjchem-2602	434	63	16	16	NUM
eurjchem-2602	434	64	(	(	PUNCT
eurjchem-2602	434	65	1	1	NUM
eurjchem-2602	434	66	)	)	PUNCT
eurjchem-2602	434	67	(	(	PUNCT
eurjchem-2602	434	68	2025	2025	NUM
eurjchem-2602	434	69	)	)	PUNCT
eurjchem-2602	434	70	7	7	NUM
eurjchem-2602	434	71	-	-	SYM
eurjchem-2602	434	72	19	19	NUM
eurjchem-2602	434	73	19	19	NUM
eurjchem-2602	434	74	2025	2025	NUM
eurjchem-2602	434	75	–	–	PUNCT
eurjchem-2602	434	76	european	european	ADJ
eurjchem-2602	434	77	journal	journal	NOUN
eurjchem-2602	434	78	of	of	ADP
eurjchem-2602	434	79	chemistry	chemistry	NOUN
eurjchem-2602	434	80	–	–	PUNCT
eurjchem-2602	434	81	cc	cc	NOUN
eurjchem-2602	434	82	by	by	ADP
eurjchem-2602	434	83	nc	nc	PROPN
eurjchem-2602	434	84	–	–	PUNCT
eurjchem-2602	434	85	doi	doi	PROPN
eurjchem-2602	434	86	:	:	PUNCT
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eurjchem-2602	434	88	/	/	SYM
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eurjchem-2602	434	90	-	-	PUNCT
eurjchem-2602	434	91	19.2602	19.2602	NUM
eurjchem-2602	434	92	hydrochloric	hydrochloric	ADJ
eurjchem-2602	434	93	acid	acid	NOUN
eurjchem-2602	434	94	medium	medium	NOUN
eurjchem-2602	434	95	:	:	PUNCT
eurjchem-2602	434	96	electrochemical	electrochemical	ADJ
eurjchem-2602	434	97	,	,	PUNCT
eurjchem-2602	434	98	sem	sem	PROPN
eurjchem-2602	434	99	/	/	SYM
eurjchem-2602	434	100	edx	edx	PROPN
eurjchem-2602	434	101	,	,	PUNCT
eurjchem-2602	434	102	mc	mc	PROPN
eurjchem-2602	434	103	,	,	PUNCT
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eurjchem-2602	434	105	dft	dft	PROPN
eurjchem-2602	434	106	studies	study	NOUN
eurjchem-2602	434	107	.	.	PUNCT
eurjchem-2602	435	1	j.	j.	PROPN
eurjchem-2602	435	2	mol	mol	PROPN
eurjchem-2602	435	3	.	.	PROPN
eurjchem-2602	435	4	struct	struct	NOUN
eurjchem-2602	435	5	.	.	PUNCT
eurjchem-2602	436	1	2025	2025	NUM
eurjchem-2602	436	2	,	,	PUNCT
eurjchem-2602	436	3	1321	1321	NUM
eurjchem-2602	436	4	,	,	PUNCT
eurjchem-2602	436	5	139901	139901	NUM
eurjchem-2602	436	6	.	.	PUNCT
eurjchem-2602	437	1	[	[	X
eurjchem-2602	437	2	43	43	NUM
eurjchem-2602	437	3	]	]	PUNCT
eurjchem-2602	437	4	.	.	PUNCT
eurjchem-2602	438	1	miar	miar	NOUN
eurjchem-2602	438	2	,	,	PUNCT
eurjchem-2602	438	3	m.	m.	NOUN
eurjchem-2602	438	4	;	;	PUNCT
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eurjchem-2602	438	6	,	,	PUNCT
eurjchem-2602	438	7	a.	a.	NOUN
eurjchem-2602	438	8	;	;	PUNCT
eurjchem-2602	438	9	pourshamsian	pourshamsian	ADJ
eurjchem-2602	438	10	,	,	PUNCT
eurjchem-2602	438	11	k.	k.	PROPN
eurjchem-2602	438	12	;	;	PUNCT
eurjchem-2602	438	13	oliaey	oliaey	PROPN
eurjchem-2602	438	14	,	,	PUNCT
eurjchem-2602	438	15	a.	a.	PROPN
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eurjchem-2602	438	17	;	;	PUNCT
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eurjchem-2602	438	19	,	,	PUNCT
eurjchem-2602	438	20	f.	f.	PROPN
eurjchem-2602	438	21	theoretical	theoretical	ADJ
eurjchem-2602	438	22	investigations	investigation	NOUN
eurjchem-2602	438	23	on	on	ADP
eurjchem-2602	438	24	the	the	DET
eurjchem-2602	438	25	homo	homo	NOUN
eurjchem-2602	438	26	–	–	PUNCT
eurjchem-2602	438	27	lumo	lumo	NOUN
eurjchem-2602	438	28	gap	gap	NOUN
eurjchem-2602	438	29	and	and	CCONJ
eurjchem-2602	438	30	global	global	ADJ
eurjchem-2602	438	31	reactivity	reactivity	NOUN
eurjchem-2602	438	32	descriptor	descriptor	NOUN
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eurjchem-2602	438	34	,	,	PUNCT
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eurjchem-2602	438	37	orbital	orbital	NOUN
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eurjchem-2602	438	42	shifts	shift	NOUN
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eurjchem-2602	438	46	-	-	PUNCT
eurjchem-2602	438	47	phenylbenzo[d]thiazole2(3h)-imine	phenylbenzo[d]thiazole2(3h)-imine	NOUN
eurjchem-2602	438	48	and	and	CCONJ
eurjchem-2602	438	49	its	its	PRON
eurjchem-2602	438	50	para	para	NOUN
eurjchem-2602	438	51	-	-	PUNCT
eurjchem-2602	438	52	substituted	substitute	VERB
eurjchem-2602	438	53	derivatives	derivative	NOUN
eurjchem-2602	438	54	:	:	PUNCT
eurjchem-2602	438	55	solvent	solvent	ADJ
eurjchem-2602	438	56	and	and	CCONJ
eurjchem-2602	438	57	substituent	substituent	NOUN
eurjchem-2602	438	58	effects	effect	NOUN
eurjchem-2602	438	59	.	.	PUNCT
eurjchem-2602	439	1	j.	j.	PROPN
eurjchem-2602	439	2	chem	chem	PROPN
eurjchem-2602	439	3	.	.	PUNCT
eurjchem-2602	440	1	res	re	NOUN
eurjchem-2602	440	2	.	.	PUNCT
eurjchem-2602	441	1	2020	2020	NUM
eurjchem-2602	441	2	,	,	PUNCT
eurjchem-2602	441	3	45	45	NUM
eurjchem-2602	441	4	(	(	PUNCT
eurjchem-2602	441	5	1	1	NUM
eurjchem-2602	441	6	-	-	SYM
eurjchem-2602	441	7	2	2	NUM
eurjchem-2602	441	8	)	)	PUNCT
eurjchem-2602	441	9	,	,	PUNCT
eurjchem-2602	441	10	147–158	147–158	NUM
eurjchem-2602	441	11	.	.	PUNCT
eurjchem-2602	442	1	[	[	X
eurjchem-2602	442	2	44	44	NUM
eurjchem-2602	442	3	]	]	PUNCT
eurjchem-2602	442	4	.	.	PUNCT
eurjchem-2602	442	5	parr	parr	PROPN
eurjchem-2602	442	6	,	,	PUNCT
eurjchem-2602	442	7	r.	r.	PROPN
eurjchem-2602	442	8	g.	g.	PROPN
eurjchem-2602	442	9	;	;	PUNCT
eurjchem-2602	442	10	szentpály	szentpály	PROPN
eurjchem-2602	442	11	,	,	PUNCT
eurjchem-2602	442	12	l.	l.	PROPN
eurjchem-2602	442	13	v.	v.	PROPN
eurjchem-2602	442	14	;	;	PUNCT
eurjchem-2602	442	15	liu	liu	PROPN
eurjchem-2602	442	16	,	,	PUNCT
eurjchem-2602	442	17	s.	s.	PROPN
eurjchem-2602	442	18	electrophilicity	electrophilicity	PROPN
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eurjchem-2602	442	20	.	.	PUNCT
eurjchem-2602	443	1	j.	j.	PROPN
eurjchem-2602	443	2	am	am	PROPN
eurjchem-2602	443	3	.	.	PUNCT
eurjchem-2602	444	1	chem	chem	NOUN
eurjchem-2602	444	2	.	.	PUNCT
eurjchem-2602	445	1	soc	soc	PROPN
eurjchem-2602	445	2	.	.	PUNCT
eurjchem-2602	446	1	1999	1999	NUM
eurjchem-2602	446	2	,	,	PUNCT
eurjchem-2602	446	3	121	121	NUM
eurjchem-2602	446	4	(	(	PUNCT
eurjchem-2602	446	5	9	9	NUM
eurjchem-2602	446	6	)	)	PUNCT
eurjchem-2602	446	7	,	,	PUNCT
eurjchem-2602	446	8	1922–1924	1922–1924	NUM
eurjchem-2602	446	9	.	.	PUNCT
eurjchem-2602	447	1	[	[	X
eurjchem-2602	447	2	45	45	NUM
eurjchem-2602	447	3	]	]	PUNCT
eurjchem-2602	447	4	.	.	PUNCT
eurjchem-2602	447	5	parr	parr	PROPN
eurjchem-2602	447	6	,	,	PUNCT
eurjchem-2602	447	7	r.	r.	PROPN
eurjchem-2602	447	8	g.	g.	PROPN
eurjchem-2602	447	9	;	;	PUNCT
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eurjchem-2602	447	16	:	:	PUNCT
eurjchem-2602	447	17	companion	companion	NOUN
eurjchem-2602	447	18	parameter	parameter	NOUN
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eurjchem-2602	447	20	absolute	absolute	ADJ
eurjchem-2602	447	21	electronegativity	electronegativity	NOUN
eurjchem-2602	447	22	.	.	PUNCT
eurjchem-2602	448	1	j.	j.	PROPN
eurjchem-2602	448	2	am	am	PROPN
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eurjchem-2602	450	1	soc	soc	PROPN
eurjchem-2602	450	2	.	.	PUNCT
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eurjchem-2602	451	2	,	,	PUNCT
eurjchem-2602	451	3	105	105	NUM
eurjchem-2602	451	4	(	(	PUNCT
eurjchem-2602	451	5	26	26	NUM
eurjchem-2602	451	6	)	)	PUNCT
eurjchem-2602	451	7	,	,	PUNCT
eurjchem-2602	451	8	7512	7512	NUM
eurjchem-2602	451	9	–	–	PUNCT
eurjchem-2602	451	10	7516	7516	NUM
eurjchem-2602	451	11	.	.	PUNCT
eurjchem-2602	452	1	[	[	X
eurjchem-2602	452	2	46	46	NUM
eurjchem-2602	452	3	]	]	PUNCT
eurjchem-2602	452	4	.	.	PUNCT
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eurjchem-2602	452	8	;	;	PUNCT
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eurjchem-2602	452	12	;	;	PUNCT
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eurjchem-2602	452	15	d.	d.	PROPN
eurjchem-2602	452	16	;	;	PUNCT
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eurjchem-2602	452	19	,	,	PUNCT
eurjchem-2602	452	20	i.	i.	PROPN
eurjchem-2602	452	21	;	;	PUNCT
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eurjchem-2602	452	54	drug	drug	NOUN
eurjchem-2602	452	55	combretastatin	combretastatin	NOUN
eurjchem-2602	452	56	-	-	PUNCT
eurjchem-2602	452	57	a2	a2	NOUN
eurjchem-2602	452	58	.	.	PUNCT
eurjchem-2602	453	1	j.	j.	PROPN
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eurjchem-2602	453	5	,	,	PUNCT
eurjchem-2602	453	6	40	40	NUM
eurjchem-2602	453	7	(	(	PUNCT
eurjchem-2602	453	8	4	4	NUM
eurjchem-2602	453	9	)	)	PUNCT
eurjchem-2602	453	10	,	,	PUNCT
eurjchem-2602	453	11	419–428	419–428	NUM
eurjchem-2602	453	12	.	.	PUNCT
eurjchem-2602	454	1	[	[	X
eurjchem-2602	454	2	47	47	NUM
eurjchem-2602	454	3	]	]	PUNCT
eurjchem-2602	454	4	.	.	PUNCT
eurjchem-2602	455	1	ettahiri	ettahiri	PROPN
eurjchem-2602	455	2	,	,	PUNCT
eurjchem-2602	455	3	w.	w.	PROPN
eurjchem-2602	455	4	;	;	PUNCT
eurjchem-2602	455	5	el	el	PROPN
eurjchem-2602	455	6	moutaouakil	moutaouakil	PROPN
eurjchem-2602	455	7	ala	ala	PROPN
eurjchem-2602	455	8	allah	allah	PROPN
eurjchem-2602	455	9	,	,	PUNCT
eurjchem-2602	455	10	a.	a.	PROPN
eurjchem-2602	455	11	;	;	PUNCT
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eurjchem-2602	455	13	,	,	PUNCT
eurjchem-2602	455	14	j.	j.	PROPN
eurjchem-2602	455	15	;	;	PUNCT
eurjchem-2602	455	16	safir	safir	PROPN
eurjchem-2602	455	17	,	,	PUNCT
eurjchem-2602	455	18	e.	e.	PROPN
eurjchem-2602	455	19	;	;	PUNCT
eurjchem-2602	455	20	yadav	yadav	PROPN
eurjchem-2602	455	21	,	,	PUNCT
eurjchem-2602	455	22	k.	k.	PROPN
eurjchem-2602	455	23	;	;	PUNCT
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eurjchem-2602	455	25	,	,	PUNCT
eurjchem-2602	455	26	b.	b.	PROPN
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eurjchem-2602	455	33	,	,	PUNCT
eurjchem-2602	455	34	z.	z.	PROPN
eurjchem-2602	455	35	;	;	PUNCT
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eurjchem-2602	455	37	,	,	PUNCT
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eurjchem-2602	455	39	;	;	PUNCT
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eurjchem-2602	455	57	compounds	compound	NOUN
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eurjchem-2602	455	59	eco	eco	NOUN
eurjchem-2602	455	60	-	-	PUNCT
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eurjchem-2602	455	62	corrosion	corrosion	NOUN
eurjchem-2602	455	63	inhibitors	inhibitor	NOUN
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eurjchem-2602	456	3	.	.	PUNCT
eurjchem-2602	457	1	eng	eng	PROPN
eurjchem-2602	457	2	.	.	PROPN
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eurjchem-2602	457	4	.	.	PUNCT
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eurjchem-2602	458	2	,	,	PUNCT
eurjchem-2602	458	3	140	140	NUM
eurjchem-2602	458	4	,	,	PUNCT
eurjchem-2602	458	5	631–646	631–646	NUM
eurjchem-2602	458	6	.	.	PUNCT
eurjchem-2602	459	1	[	[	X
eurjchem-2602	459	2	48	48	NUM
eurjchem-2602	459	3	]	]	PUNCT
eurjchem-2602	459	4	.	.	PUNCT
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eurjchem-2602	460	2	,	,	PUNCT
eurjchem-2602	460	3	d.	d.	PROPN
eurjchem-2602	460	4	w.	w.	PROPN
eurjchem-2602	460	5	hex	hex	PROPN
eurjchem-2602	460	6	6.3	6.3	NUM
eurjchem-2602	460	7	user	user	NOUN
eurjchem-2602	460	8	manual	manual	NOUN
eurjchem-2602	460	9	:	:	PUNCT
eurjchem-2602	460	10	protein	protein	NOUN
eurjchem-2602	460	11	docking	docking	NOUN
eurjchem-2602	460	12	using	use	VERB
eurjchem-2602	460	13	spherical	spherical	ADJ
eurjchem-2602	460	14	polar	polar	ADJ
eurjchem-2602	460	15	fourier	fourier	NOUN
eurjchem-2602	460	16	correlations	correlation	NOUN
eurjchem-2602	460	17	,	,	PUNCT
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eurjchem-2602	460	19	-	-	SYM
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eurjchem-2602	461	6	.	.	PUNCT
eurjchem-2602	462	1	this	this	DET
eurjchem-2602	462	2	work	work	NOUN
eurjchem-2602	462	3	is	be	AUX
eurjchem-2602	462	4	published	publish	VERB
eurjchem-2602	462	5	and	and	CCONJ
eurjchem-2602	462	6	licensed	license	VERB
eurjchem-2602	462	7	by	by	ADP
eurjchem-2602	462	8	atlanta	atlanta	PROPN
eurjchem-2602	462	9	publishing	publishing	PROPN
eurjchem-2602	462	10	house	house	PROPN
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eurjchem-2602	462	14	,	,	PUNCT
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eurjchem-2602	463	5	this	this	DET
eurjchem-2602	463	6	license	license	NOUN
eurjchem-2602	463	7	are	be	AUX
eurjchem-2602	463	8	available	available	ADJ
eurjchem-2602	463	9	at	at	ADP
eurjchem-2602	463	10	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2602	463	11	and	and	CCONJ
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eurjchem-2602	463	20	(	(	PUNCT
eurjchem-2602	463	21	cc	cc	NOUN
eurjchem-2602	463	22	by	by	ADP
eurjchem-2602	463	23	nc	nc	PROPN
eurjchem-2602	463	24	)	)	PUNCT
eurjchem-2602	463	25	(	(	PUNCT
eurjchem-2602	463	26	international	international	ADJ
eurjchem-2602	463	27	,	,	PUNCT
eurjchem-2602	463	28	v4.0	v4.0	NOUN
eurjchem-2602	463	29	)	)	PUNCT
eurjchem-2602	463	30	license	license	NOUN
eurjchem-2602	463	31	(	(	PUNCT
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eurjchem-2602	463	33	)	)	PUNCT
eurjchem-2602	463	34	.	.	PUNCT
eurjchem-2602	464	1	by	by	ADP
eurjchem-2602	464	2	accessing	access	VERB
eurjchem-2602	464	3	the	the	DET
eurjchem-2602	464	4	work	work	NOUN
eurjchem-2602	464	5	,	,	PUNCT
eurjchem-2602	464	6	you	you	PRON
eurjchem-2602	464	7	hereby	hereby	ADV
eurjchem-2602	464	8	accept	accept	VERB
eurjchem-2602	464	9	the	the	DET
eurjchem-2602	464	10	terms	term	NOUN
eurjchem-2602	464	11	.	.	PUNCT
eurjchem-2602	465	1	this	this	PRON
eurjchem-2602	465	2	is	be	AUX
eurjchem-2602	465	3	an	an	DET
eurjchem-2602	465	4	open	open	ADJ
eurjchem-2602	465	5	access	access	NOUN
eurjchem-2602	465	6	article	article	NOUN
eurjchem-2602	465	7	distributed	distribute	VERB
eurjchem-2602	465	8	under	under	ADP
eurjchem-2602	465	9	the	the	DET
eurjchem-2602	465	10	terms	term	NOUN
eurjchem-2602	465	11	and	and	CCONJ
eurjchem-2602	465	12	conditions	condition	NOUN
eurjchem-2602	465	13	of	of	ADP
eurjchem-2602	465	14	the	the	DET
eurjchem-2602	465	15	cc	cc	PROPN
eurjchem-2602	465	16	by	by	ADP
eurjchem-2602	465	17	nc	nc	PROPN
eurjchem-2602	465	18	license	license	PROPN
eurjchem-2602	465	19	,	,	PUNCT
eurjchem-2602	465	20	which	which	PRON
eurjchem-2602	465	21	permits	permit	VERB
eurjchem-2602	465	22	unrestricted	unrestricted	ADJ
eurjchem-2602	465	23	non	non	ADJ
eurjchem-2602	465	24	-	-	ADJ
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eurjchem-2602	465	26	use	use	NOUN
eurjchem-2602	465	27	,	,	PUNCT
eurjchem-2602	465	28	distribution	distribution	NOUN
eurjchem-2602	465	29	,	,	PUNCT
eurjchem-2602	465	30	and	and	CCONJ
eurjchem-2602	465	31	reproduction	reproduction	NOUN
eurjchem-2602	465	32	in	in	ADP
eurjchem-2602	465	33	any	any	DET
eurjchem-2602	465	34	medium	medium	NOUN
eurjchem-2602	465	35	,	,	PUNCT
eurjchem-2602	465	36	provided	provide	VERB
eurjchem-2602	465	37	the	the	DET
eurjchem-2602	465	38	original	original	ADJ
eurjchem-2602	465	39	work	work	NOUN
eurjchem-2602	465	40	is	be	AUX
eurjchem-2602	465	41	properly	properly	ADV
eurjchem-2602	465	42	cited	cite	VERB
eurjchem-2602	465	43	without	without	ADP
eurjchem-2602	465	44	any	any	DET
eurjchem-2602	465	45	further	further	ADJ
eurjchem-2602	465	46	permission	permission	NOUN
eurjchem-2602	465	47	from	from	ADP
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eurjchem-2602	465	49	publishing	publishing	PROPN
eurjchem-2602	465	50	house	house	PROPN
eurjchem-2602	465	51	llc	llc	PROPN
eurjchem-2602	465	52	(	(	PUNCT
eurjchem-2602	465	53	european	european	PROPN
eurjchem-2602	465	54	journal	journal	PROPN
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eurjchem-2602	465	57	)	)	PUNCT
eurjchem-2602	465	58	.	.	PUNCT
eurjchem-2602	466	1	no	no	DET
eurjchem-2602	466	2	use	use	NOUN
eurjchem-2602	466	3	,	,	PUNCT
eurjchem-2602	466	4	distribution	distribution	NOUN
eurjchem-2602	466	5	,	,	PUNCT
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eurjchem-2602	466	7	reproduction	reproduction	NOUN
eurjchem-2602	466	8	is	be	AUX
eurjchem-2602	466	9	permitted	permit	VERB
eurjchem-2602	466	10	which	which	PRON
eurjchem-2602	466	11	does	do	AUX
eurjchem-2602	466	12	not	not	PART
eurjchem-2602	466	13	comply	comply	VERB
eurjchem-2602	466	14	with	with	ADP
eurjchem-2602	466	15	these	these	DET
eurjchem-2602	466	16	terms	term	NOUN
eurjchem-2602	466	17	.	.	PUNCT
eurjchem-2602	467	1	permissions	permission	NOUN
eurjchem-2602	467	2	for	for	ADP
eurjchem-2602	467	3	commercial	commercial	ADJ
eurjchem-2602	467	4	use	use	NOUN
eurjchem-2602	467	5	of	of	ADP
eurjchem-2602	467	6	this	this	DET
eurjchem-2602	467	7	work	work	NOUN
eurjchem-2602	467	8	beyond	beyond	ADP
eurjchem-2602	467	9	the	the	DET
eurjchem-2602	467	10	scope	scope	NOUN
eurjchem-2602	467	11	of	of	ADP
eurjchem-2602	467	12	the	the	DET
eurjchem-2602	467	13	license	license	NOUN
eurjchem-2602	467	14	(	(	PUNCT
eurjchem-2602	467	15	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2602	467	16	)	)	PUNCT
eurjchem-2602	467	17	are	be	AUX
eurjchem-2602	467	18	administered	administer	VERB
eurjchem-2602	467	19	by	by	ADP
eurjchem-2602	467	20	atlanta	atlanta	PROPN
eurjchem-2602	467	21	publishing	publishing	PROPN
eurjchem-2602	467	22	house	house	PROPN
eurjchem-2602	467	23	llc	llc	PROPN
eurjchem-2602	467	24	(	(	PUNCT
eurjchem-2602	467	25	european	european	PROPN
eurjchem-2602	467	26	journal	journal	PROPN
eurjchem-2602	467	27	of	of	ADP
eurjchem-2602	467	28	chemistry	chemistry	NOUN
eurjchem-2602	467	29	)	)	PUNCT
eurjchem-2602	467	30	.	.	PUNCT
eurjchem-2602	468	1	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	VERB
eurjchem-2602	468	2	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-2602	468	3	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2602	468	4	1	1	NUM
eurjchem-2602	468	5	.	.	PUNCT
eurjchem-2602	469	1	introduction	introduction	NOUN
eurjchem-2602	469	2	2	2	NUM
eurjchem-2602	469	3	.	.	PUNCT
eurjchem-2602	469	4	experimental	experimental	ADJ
eurjchem-2602	469	5	2.1	2.1	NUM
eurjchem-2602	469	6	.	.	PUNCT
eurjchem-2602	470	1	materials	material	NOUN
eurjchem-2602	470	2	and	and	CCONJ
eurjchem-2602	470	3	instrumentations	instrumentation	NOUN
eurjchem-2602	470	4	2.2	2.2	NUM
eurjchem-2602	470	5	.	.	PUNCT
eurjchem-2602	471	1	synthesis	synthesis	NOUN
eurjchem-2602	471	2	of	of	ADP
eurjchem-2602	471	3	1,3	1,3	NUM
eurjchem-2602	471	4	-	-	PUNCT
eurjchem-2602	471	5	dimethyl-3h	dimethyl-3h	NOUN
eurjchem-2602	471	6	-	-	PUNCT
eurjchem-2602	471	7	benzimidazol-1	benzimidazol-1	NUM
eurjchem-2602	471	8	-	-	PUNCT
eurjchem-2602	471	9	ium	ium	NOUN
eurjchem-2602	471	10	iodide	iodide	NOUN
eurjchem-2602	471	11	monohydrate	monohydrate	NOUN
eurjchem-2602	471	12	(	(	PUNCT
eurjchem-2602	471	13	dbziw	dbziw	ADJ
eurjchem-2602	471	14	)	)	PUNCT
eurjchem-2602	471	15	2.3	2.3	NUM
eurjchem-2602	471	16	.	.	PUNCT
eurjchem-2602	472	1	crystallographic	crystallographic	ADJ
eurjchem-2602	472	2	analysis	analysis	NOUN
eurjchem-2602	472	3	2.4	2.4	NUM
eurjchem-2602	472	4	.	.	PUNCT
eurjchem-2602	473	1	computational	computational	ADJ
eurjchem-2602	473	2	details	detail	NOUN
eurjchem-2602	473	3	2.5	2.5	NUM
eurjchem-2602	473	4	.	.	PUNCT
eurjchem-2602	474	1	hirshfeld	hirshfeld	PROPN
eurjchem-2602	474	2	surface	surface	PROPN
eurjchem-2602	474	3	analyses	analyse	VERB
eurjchem-2602	474	4	2.6	2.6	NUM
eurjchem-2602	474	5	.	.	PUNCT
eurjchem-2602	475	1	molecular	molecular	ADJ
eurjchem-2602	475	2	docking	docking	NOUN
eurjchem-2602	475	3	study	study	NOUN
eurjchem-2602	475	4	3	3	NUM
eurjchem-2602	475	5	.	.	NOUN
eurjchem-2602	475	6	results	result	NOUN
eurjchem-2602	475	7	and	and	CCONJ
eurjchem-2602	475	8	discussion	discussion	NOUN
eurjchem-2602	475	9	3.1	3.1	NUM
eurjchem-2602	475	10	.	.	PUNCT
eurjchem-2602	476	1	crystal	crystal	NOUN
eurjchem-2602	476	2	structure	structure	NOUN
eurjchem-2602	476	3	3.2	3.2	NUM
eurjchem-2602	476	4	.	.	PUNCT
eurjchem-2602	477	1	hirshfeld	hirshfeld	PROPN
eurjchem-2602	477	2	surface	surface	NOUN
eurjchem-2602	477	3	analysis	analysis	NOUN
eurjchem-2602	477	4	3.3	3.3	NUM
eurjchem-2602	477	5	.	.	PUNCT
eurjchem-2602	478	1	computational	computational	ADJ
eurjchem-2602	478	2	studies	study	NOUN
eurjchem-2602	478	3	3.3.1	3.3.1	NUM
eurjchem-2602	478	4	.	.	PUNCT
eurjchem-2602	478	5	optimized	optimize	VERB
eurjchem-2602	478	6	geometry	geometry	NOUN
eurjchem-2602	478	7	3.3.2	3.3.2	NUM
eurjchem-2602	478	8	.	.	PUNCT
eurjchem-2602	479	1	mulliken	mulliken	NOUN
eurjchem-2602	479	2	charge	charge	NOUN
eurjchem-2602	479	3	distributions	distribution	NOUN
eurjchem-2602	479	4	3.3.3	3.3.3	NUM
eurjchem-2602	479	5	.	.	PUNCT
eurjchem-2602	480	1	fmo	fmo	NOUN
eurjchem-2602	480	2	analysis	analysis	NOUN
eurjchem-2602	480	3	3.4	3.4	NUM
eurjchem-2602	480	4	.	.	PUNCT
eurjchem-2602	481	1	molecular	molecular	ADJ
eurjchem-2602	481	2	docking	docking	NOUN
eurjchem-2602	481	3	study	study	NOUN
eurjchem-2602	481	4	4	4	NUM
eurjchem-2602	481	5	.	.	PUNCT
eurjchem-2602	482	1	conclusion	conclusion	NOUN
eurjchem-2602	482	2	acknowledgements	acknowledgement	NOUN
eurjchem-2602	482	3	supporting	support	VERB
eurjchem-2602	482	4	information	information	NOUN
eurjchem-2602	482	5	disclosure	disclosure	NOUN
eurjchem-2602	482	6	statement	statement	NOUN
eurjchem-2602	482	7	credit	credit	NOUN
eurjchem-2602	482	8	authorship	authorship	NOUN
eurjchem-2602	482	9	contribution	contribution	NOUN
eurjchem-2602	482	10	statement	statement	NOUN
eurjchem-2602	482	11	orcid	orcid	NOUN
eurjchem-2602	482	12	and	and	CCONJ
eurjchem-2602	482	13	email	email	NOUN
eurjchem-2602	482	14	references	reference	NOUN
eurjchem-2602	482	15	printfield10	printfield10	PROPN
eurjchem-2602	482	16	:	:	PUNCT
eurjchem-2602	482	17	printfield11	printfield11	NOUN
eurjchem-2602	482	18	:	:	PUNCT
eurjchem-2602	482	19	printfield12	printfield12	PROPN
eurjchem-2602	482	20	:	:	PUNCT
eurjchem-2602	482	21	printfield13	printfield13	VERB
eurjchem-2602	482	22	:	:	PUNCT
eurjchem-2602	482	23	printfield14	printfield14	NOUN
eurjchem-2602	482	24	:	:	PUNCT
eurjchem-2602	482	25	printfield15	printfield15	NOUN
eurjchem-2602	482	26	:	:	PUNCT
eurjchem-2602	482	27	printfield16	printfield16	ADJ
eurjchem-2602	482	28	:	:	PUNCT
eurjchem-2602	482	29	printfield17	printfield17	NOUN
eurjchem-2602	482	30	:	:	PUNCT
eurjchem-2602	482	31	printfield18	printfield18	NOUN
eurjchem-2602	482	32	:	:	PUNCT
eurjchem-2602	482	33	printfield19	printfield19	NOUN
eurjchem-2602	482	34	:	:	PUNCT
eurjchem-2602	482	35	printfield110	printfield110	PROPN
eurjchem-2602	482	36	:	:	PUNCT
eurjchem-2602	482	37	printfield111	printfield111	PROPN
eurjchem-2602	482	38	:	:	PUNCT
eurjchem-2602	482	39	printfield112	printfield112	PROPN
eurjchem-2602	482	40	:	:	PUNCT
eurjchem-2602	482	41	printfield20	printfield20	PROPN
eurjchem-2602	482	42	:	:	PUNCT
eurjchem-2602	482	43	printfield21	printfield21	ADJ
eurjchem-2602	482	44	:	:	PUNCT
eurjchem-2602	482	45	printfield22	printfield22	NOUN
eurjchem-2602	482	46	:	:	PUNCT
eurjchem-2602	482	47	printfield23	printfield23	NOUN
eurjchem-2602	482	48	:	:	PUNCT
eurjchem-2602	482	49	printfield24	printfield24	NOUN
eurjchem-2602	482	50	:	:	PUNCT
eurjchem-2602	482	51	printfield25	printfield25	NOUN
eurjchem-2602	482	52	:	:	PUNCT
eurjchem-2602	482	53	printfield26	printfield26	ADJ
eurjchem-2602	482	54	:	:	PUNCT
eurjchem-2602	482	55	printfield27	printfield27	NOUN
eurjchem-2602	482	56	:	:	PUNCT
eurjchem-2602	482	57	printfield28	printfield28	NOUN
eurjchem-2602	482	58	:	:	PUNCT
eurjchem-2602	482	59	printfield29	printfield29	ADV
eurjchem-2602	482	60	:	:	PUNCT
eurjchem-2602	483	1	printfield210	printfield210	PROPN
eurjchem-2602	483	2	:	:	PUNCT
eurjchem-2602	483	3	printfield211	printfield211	PROPN
eurjchem-2602	483	4	:	:	PUNCT
eurjchem-2602	483	5	printfield212	printfield212	PROPN
eurjchem-2602	483	6	:	:	PUNCT