id	sid	tid	token	lemma	pos
eurjchem-2196	1	1	crystal	crystal	NOUN
eurjchem-2196	1	2	structure	structure	NOUN
eurjchem-2196	1	3	,	,	PUNCT
eurjchem-2196	1	4	hirshfeld	hirshfeld	PROPN
eurjchem-2196	1	5	surface	surface	NOUN
eurjchem-2196	1	6	analysis	analysis	NOUN
eurjchem-2196	1	7	,	,	PUNCT
eurjchem-2196	1	8	and	and	CCONJ
eurjchem-2196	1	9	dft	dft	PROPN
eurjchem-2196	1	10	studies	study	NOUN
eurjchem-2196	1	11	of	of	ADP
eurjchem-2196	1	12	n-(2	n-(2	ADJ
eurjchem-2196	1	13	-	-	PUNCT
eurjchem-2196	1	14	chlorophenylcarbamothioyl)cyclohexanecarboxamide	chlorophenylcarbamothioyl)cyclohexanecarboxamide	NOUN
eurjchem-2196	1	15	european	european	ADJ
eurjchem-2196	1	16	journal	journal	PROPN
eurjchem-2196	1	17	of	of	ADP
eurjchem-2196	1	18	chemistry	chemistry	NOUN
eurjchem-2196	1	19	12	12	NUM
eurjchem-2196	1	20	(	(	PUNCT
eurjchem-2196	1	21	4	4	NUM
eurjchem-2196	1	22	)	)	PUNCT
eurjchem-2196	1	23	(	(	PUNCT
eurjchem-2196	1	24	2021	2021	NUM
eurjchem-2196	1	25	)	)	PUNCT
eurjchem-2196	1	26	439	439	NUM
eurjchem-2196	1	27	-	-	SYM
eurjchem-2196	1	28	449	449	NUM
eurjchem-2196	1	29	european	european	PROPN
eurjchem-2196	1	30	journal	journal	PROPN
eurjchem-2196	1	31	of	of	ADP
eurjchem-2196	1	32	chemistry	chemistry	NOUN
eurjchem-2196	1	33	issn	issn	VERB
eurjchem-2196	1	34	2153	2153	NUM
eurjchem-2196	1	35	-	-	SYM
eurjchem-2196	1	36	2249	2249	NUM
eurjchem-2196	1	37	(	(	PUNCT
eurjchem-2196	1	38	print	print	NOUN
eurjchem-2196	1	39	)	)	PUNCT
eurjchem-2196	1	40	/	/	PUNCT
eurjchem-2196	1	41	issn	issn	PROPN
eurjchem-2196	1	42	2153	2153	NUM
eurjchem-2196	1	43	-	-	SYM
eurjchem-2196	1	44	2257	2257	NUM
eurjchem-2196	1	45	(	(	PUNCT
eurjchem-2196	1	46	online	online	ADJ
eurjchem-2196	1	47	)	)	PUNCT
eurjchem-2196	1	48	–	–	PUNCT
eurjchem-2196	2	1	copyright	copyright	NOUN
eurjchem-2196	2	2	©	©	PROPN
eurjchem-2196	2	3	2021	2021	NUM
eurjchem-2196	2	4	the	the	DET
eurjchem-2196	2	5	authors	author	NOUN
eurjchem-2196	2	6	–	–	PUNCT
eurjchem-2196	2	7	atlanta	atlanta	PROPN
eurjchem-2196	2	8	publishing	publishing	PROPN
eurjchem-2196	2	9	house	house	PROPN
eurjchem-2196	2	10	llc	llc	PROPN
eurjchem-2196	2	11	–	–	PUNCT
eurjchem-2196	2	12	printed	print	VERB
eurjchem-2196	2	13	in	in	ADP
eurjchem-2196	2	14	the	the	DET
eurjchem-2196	2	15	usa	usa	PROPN
eurjchem-2196	2	16	.	.	PUNCT
eurjchem-2196	3	1	this	this	DET
eurjchem-2196	3	2	work	work	NOUN
eurjchem-2196	3	3	is	be	AUX
eurjchem-2196	3	4	published	publish	VERB
eurjchem-2196	3	5	and	and	CCONJ
eurjchem-2196	3	6	licensed	license	VERB
eurjchem-2196	3	7	by	by	ADP
eurjchem-2196	3	8	atlanta	atlanta	PROPN
eurjchem-2196	3	9	publishing	publishing	PROPN
eurjchem-2196	3	10	house	house	PROPN
eurjchem-2196	3	11	llc	llc	PROPN
eurjchem-2196	3	12	–	–	PUNCT
eurjchem-2196	3	13	cc	cc	PROPN
eurjchem-2196	3	14	by	by	ADP
eurjchem-2196	3	15	nc	nc	PROPN
eurjchem-2196	3	16	–	–	PUNCT
eurjchem-2196	3	17	some	some	DET
eurjchem-2196	3	18	rights	right	NOUN
eurjchem-2196	3	19	reserved	reserve	VERB
eurjchem-2196	3	20	.	.	PUNCT
eurjchem-2196	4	1	https://dx.doi.org/10.5155/eurjchem.12.4.439-449.2196	https://dx.doi.org/10.5155/eurjchem.12.4.439-449.2196	PROPN
eurjchem-2196	4	2	european	european	PROPN
eurjchem-2196	4	3	journal	journal	PROPN
eurjchem-2196	4	4	of	of	ADP
eurjchem-2196	4	5	chemistry	chemistry	NOUN
eurjchem-2196	4	6	view	view	NOUN
eurjchem-2196	4	7	journal	journal	PROPN
eurjchem-2196	4	8	online	online	PROPN
eurjchem-2196	4	9	view	view	NOUN
eurjchem-2196	4	10	article	article	NOUN
eurjchem-2196	4	11	online	online	PROPN
eurjchem-2196	4	12	crystal	crystal	PROPN
eurjchem-2196	4	13	structure	structure	NOUN
eurjchem-2196	4	14	,	,	PUNCT
eurjchem-2196	4	15	hirshfeld	hirshfeld	PROPN
eurjchem-2196	4	16	surface	surface	NOUN
eurjchem-2196	4	17	analysis	analysis	NOUN
eurjchem-2196	4	18	,	,	PUNCT
eurjchem-2196	4	19	and	and	CCONJ
eurjchem-2196	4	20	dft	dft	PROPN
eurjchem-2196	4	21	studies	study	NOUN
eurjchem-2196	4	22	of	of	ADP
eurjchem-2196	4	23	n-(2	n-(2	ADJ
eurjchem-2196	4	24	-	-	PUNCT
eurjchem-2196	4	25	chlorophenylcarbamothioyl)cyclohexanecarboxamide	chlorophenylcarbamothioyl)cyclohexanecarboxamide	NOUN
eurjchem-2196	4	26	cemal	cemal	ADJ
eurjchem-2196	4	27	koray	koray	PROPN
eurjchem-2196	4	28	ozer	ozer	PROPN
eurjchem-2196	4	29	1	1	NUM
eurjchem-2196	4	30	,	,	PUNCT
eurjchem-2196	4	31	ummuhan	ummuhan	PROPN
eurjchem-2196	4	32	solmaz	solmaz	NOUN
eurjchem-2196	4	33	2	2	NUM
eurjchem-2196	4	34	,	,	PUNCT
eurjchem-2196	4	35	*	*	PUNCT
eurjchem-2196	4	36	and	and	CCONJ
eurjchem-2196	4	37	hakan	hakan	PROPN
eurjchem-2196	4	38	arslan	arslan	PROPN
eurjchem-2196	4	39	1	1	NUM
eurjchem-2196	4	40	1	1	NUM
eurjchem-2196	4	41	department	department	NOUN
eurjchem-2196	4	42	of	of	ADP
eurjchem-2196	4	43	chemistry	chemistry	NOUN
eurjchem-2196	4	44	,	,	PUNCT
eurjchem-2196	4	45	faculty	faculty	NOUN
eurjchem-2196	4	46	of	of	ADP
eurjchem-2196	4	47	arts	art	NOUN
eurjchem-2196	4	48	and	and	CCONJ
eurjchem-2196	4	49	science	science	PROPN
eurjchem-2196	4	50	,	,	PUNCT
eurjchem-2196	4	51	mersin	mersin	PROPN
eurjchem-2196	4	52	university	university	PROPN
eurjchem-2196	4	53	,	,	PUNCT
eurjchem-2196	4	54	mersin	mersin	PROPN
eurjchem-2196	4	55	,	,	PUNCT
eurjchem-2196	4	56	tr	tr	VERB
eurjchem-2196	4	57	33343	33343	NUM
eurjchem-2196	4	58	,	,	PUNCT
eurjchem-2196	4	59	turkey	turkey	PROPN
eurjchem-2196	4	60	c.korayozer@gmail.com	c.korayozer@gmail.com	PROPN
eurjchem-2196	5	1	(	(	PUNCT
eurjchem-2196	5	2	c.k.o	c.k.o	PROPN
eurjchem-2196	5	3	.	.	PROPN
eurjchem-2196	5	4	)	)	PUNCT
eurjchem-2196	5	5	,	,	PUNCT
eurjchem-2196	5	6	hakan.arslan@mersin.edu.tr	hakan.arslan@mersin.edu.tr	PROPN
eurjchem-2196	5	7	(	(	PUNCT
eurjchem-2196	5	8	h.a	h.a	PROPN
eurjchem-2196	5	9	.	.	PROPN
eurjchem-2196	5	10	)	)	PUNCT
eurjchem-2196	5	11	2	2	NUM
eurjchem-2196	5	12	department	department	NOUN
eurjchem-2196	5	13	of	of	ADP
eurjchem-2196	5	14	chemistry	chemistry	NOUN
eurjchem-2196	5	15	and	and	CCONJ
eurjchem-2196	5	16	chemical	chemical	NOUN
eurjchem-2196	5	17	processing	processing	NOUN
eurjchem-2196	5	18	technologies	technology	NOUN
eurjchem-2196	5	19	,	,	PUNCT
eurjchem-2196	5	20	technical	technical	ADJ
eurjchem-2196	5	21	science	science	PROPN
eurjchem-2196	5	22	vocational	vocational	PROPN
eurjchem-2196	5	23	school	school	PROPN
eurjchem-2196	5	24	,	,	PUNCT
eurjchem-2196	5	25	mersin	mersin	PROPN
eurjchem-2196	5	26	university	university	PROPN
eurjchem-2196	5	27	,	,	PUNCT
eurjchem-2196	5	28	mersin	mersin	PROPN
eurjchem-2196	5	29	,	,	PUNCT
eurjchem-2196	5	30	tr	tr	VERB
eurjchem-2196	5	31	33343	33343	NUM
eurjchem-2196	5	32	,	,	PUNCT
eurjchem-2196	5	33	turkey	turkey	PROPN
eurjchem-2196	5	34	ummuhansolmaz@mersin.edu.tr	ummuhansolmaz@mersin.edu.tr	ADV
eurjchem-2196	5	35	(	(	PUNCT
eurjchem-2196	5	36	u.s	u.s	PROPN
eurjchem-2196	5	37	.	.	PROPN
eurjchem-2196	5	38	)	)	PUNCT
eurjchem-2196	6	1	*	*	PUNCT
eurjchem-2196	6	2	corresponding	correspond	VERB
eurjchem-2196	6	3	author	author	NOUN
eurjchem-2196	6	4	at	at	ADP
eurjchem-2196	6	5	:	:	PUNCT
eurjchem-2196	6	6	department	department	NOUN
eurjchem-2196	6	7	of	of	ADP
eurjchem-2196	6	8	chemistry	chemistry	NOUN
eurjchem-2196	6	9	and	and	CCONJ
eurjchem-2196	6	10	chemical	chemical	NOUN
eurjchem-2196	6	11	processing	processing	NOUN
eurjchem-2196	6	12	technologies	technology	NOUN
eurjchem-2196	6	13	,	,	PUNCT
eurjchem-2196	6	14	technical	technical	ADJ
eurjchem-2196	6	15	science	science	PROPN
eurjchem-2196	6	16	vocational	vocational	PROPN
eurjchem-2196	6	17	school	school	PROPN
eurjchem-2196	6	18	,	,	PUNCT
eurjchem-2196	6	19	mersin	mersin	PROPN
eurjchem-2196	6	20	university	university	PROPN
eurjchem-2196	6	21	,	,	PUNCT
eurjchem-2196	6	22	mersin	mersin	PROPN
eurjchem-2196	6	23	,	,	PUNCT
eurjchem-2196	6	24	tr	tr	VERB
eurjchem-2196	6	25	33343	33343	NUM
eurjchem-2196	6	26	,	,	PUNCT
eurjchem-2196	6	27	turkey	turkey	NOUN
eurjchem-2196	6	28	.	.	PUNCT
eurjchem-2196	7	1	e	e	X
eurjchem-2196	7	2	-	-	NOUN
eurjchem-2196	7	3	mail	mail	NOUN
eurjchem-2196	7	4	:	:	PUNCT
eurjchem-2196	7	5	ummuhansolmaz@mersin.edu.tr	ummuhansolmaz@mersin.edu.tr	INTJ
eurjchem-2196	7	6	(	(	PUNCT
eurjchem-2196	7	7	u.	u.	PROPN
eurjchem-2196	7	8	solmaz	solmaz	PROPN
eurjchem-2196	7	9	)	)	PUNCT
eurjchem-2196	7	10	.	.	PUNCT
eurjchem-2196	8	1	10.5155	10.5155	NUM
eurjchem-2196	8	2	/	/	SYM
eurjchem-2196	8	3	eurjchem.12.4.439	eurjchem.12.4.439	NOUN
eurjchem-2196	8	4	-	-	PUNCT
eurjchem-2196	8	5	449.2196	449.2196	NOUN
eurjchem-2196	8	6	received	receive	VERB
eurjchem-2196	8	7	:	:	PUNCT
eurjchem-2196	8	8	22	22	NUM
eurjchem-2196	8	9	october	october	NOUN
eurjchem-2196	8	10	2021	2021	NUM
eurjchem-2196	8	11	received	receive	VERB
eurjchem-2196	8	12	in	in	ADP
eurjchem-2196	8	13	revised	revise	VERB
eurjchem-2196	8	14	form	form	NOUN
eurjchem-2196	8	15	:	:	PUNCT
eurjchem-2196	8	16	14	14	NUM
eurjchem-2196	8	17	november	november	PROPN
eurjchem-2196	8	18	2021	2021	NUM
eurjchem-2196	8	19	accepted	accept	VERB
eurjchem-2196	8	20	:	:	PUNCT
eurjchem-2196	8	21	20	20	NUM
eurjchem-2196	8	22	november	november	NOUN
eurjchem-2196	8	23	2021	2021	NUM
eurjchem-2196	8	24	published	publish	VERB
eurjchem-2196	8	25	online	online	ADV
eurjchem-2196	8	26	:	:	PUNCT
eurjchem-2196	8	27	31	31	NUM
eurjchem-2196	8	28	december	december	PROPN
eurjchem-2196	8	29	2021	2021	NUM
eurjchem-2196	8	30	printed	print	VERB
eurjchem-2196	8	31	:	:	PUNCT
eurjchem-2196	8	32	31	31	NUM
eurjchem-2196	8	33	december	december	PROPN
eurjchem-2196	8	34	2021	2021	NUM
eurjchem-2196	8	35	n-(2	n-(2	NOUN
eurjchem-2196	8	36	-	-	PUNCT
eurjchem-2196	8	37	chlorophenylcarbamothioyl)cyclohexanecarboxamide	chlorophenylcarbamothioyl)cyclohexanecarboxamide	NOUN
eurjchem-2196	8	38	was	be	AUX
eurjchem-2196	8	39	characterized	characterize	VERB
eurjchem-2196	8	40	by	by	ADP
eurjchem-2196	8	41	a	a	DET
eurjchem-2196	8	42	single	single	ADJ
eurjchem-2196	8	43	crystal	crystal	NOUN
eurjchem-2196	8	44	x	x	PROPN
eurjchem-2196	8	45	-	-	NOUN
eurjchem-2196	8	46	ray	ray	NOUN
eurjchem-2196	8	47	diffraction	diffraction	NOUN
eurjchem-2196	8	48	study	study	NOUN
eurjchem-2196	8	49	.	.	PUNCT
eurjchem-2196	9	1	crystal	crystal	NOUN
eurjchem-2196	9	2	data	datum	NOUN
eurjchem-2196	9	3	for	for	ADP
eurjchem-2196	9	4	this	this	DET
eurjchem-2196	9	5	compound	compound	NOUN
eurjchem-2196	9	6	,	,	PUNCT
eurjchem-2196	9	7	c14h17cln2os	c14h17cln2o	VERB
eurjchem-2196	9	8	;	;	PUNCT
eurjchem-2196	9	9	monoclinic	monoclinic	ADJ
eurjchem-2196	9	10	,	,	PUNCT
eurjchem-2196	9	11	space	space	NOUN
eurjchem-2196	9	12	group	group	NOUN
eurjchem-2196	9	13	p21	p21	PROPN
eurjchem-2196	9	14	/	/	SYM
eurjchem-2196	9	15	n	n	PROPN
eurjchem-2196	9	16	with	with	ADP
eurjchem-2196	9	17	z	z	NOUN
eurjchem-2196	9	18	=	=	SYM
eurjchem-2196	9	19	4	4	NUM
eurjchem-2196	9	20	,	,	PUNCT
eurjchem-2196	9	21	a	a	DET
eurjchem-2196	9	22	=	=	SYM
eurjchem-2196	9	23	5.2385(10	5.2385(10	NUM
eurjchem-2196	9	24	)	)	PUNCT
eurjchem-2196	9	25	å	å	PROPN
eurjchem-2196	9	26	,	,	PUNCT
eurjchem-2196	9	27	b	b	NOUN
eurjchem-2196	9	28	=	=	SYM
eurjchem-2196	9	29	17.902(4	17.902(4	NUM
eurjchem-2196	9	30	)	)	PUNCT
eurjchem-2196	10	1	å	å	NOUN
eurjchem-2196	10	2	,	,	PUNCT
eurjchem-2196	10	3	c	c	NOUN
eurjchem-2196	10	4	=	=	SYM
eurjchem-2196	10	5	15.021(3	15.021(3	X
eurjchem-2196	10	6	)	)	PUNCT
eurjchem-2196	10	7	å	å	NOUN
eurjchem-2196	10	8	,	,	PUNCT
eurjchem-2196	10	9	β	β	NOUN
eurjchem-2196	10	10	=	=	SYM
eurjchem-2196	10	11	90.86(3	90.86(3	NUM
eurjchem-2196	10	12	)	)	PUNCT
eurjchem-2196	10	13	°	°	NOUN
eurjchem-2196	10	14	,	,	PUNCT
eurjchem-2196	10	15	v	v	NOUN
eurjchem-2196	10	16	=	=	SYM
eurjchem-2196	10	17	1408.5(5	1408.5(5	NOUN
eurjchem-2196	10	18	)	)	PUNCT
eurjchem-2196	10	19	å3	å3	PROPN
eurjchem-2196	10	20	,	,	PUNCT
eurjchem-2196	10	21	t	t	PROPN
eurjchem-2196	10	22	=	=	SYM
eurjchem-2196	10	23	153(2	153(2	NUM
eurjchem-2196	10	24	)	)	PUNCT
eurjchem-2196	10	25	k	k	NOUN
eurjchem-2196	10	26	,	,	PUNCT
eurjchem-2196	10	27	μ(mokα	μ(mokα	NOUN
eurjchem-2196	10	28	)	)	PUNCT
eurjchem-2196	10	29	=	=	SYM
eurjchem-2196	10	30	0.413	0.413	NUM
eurjchem-2196	10	31	mm-1	mm-1	NOUN
eurjchem-2196	10	32	,	,	PUNCT
eurjchem-2196	10	33	dcalc	dcalc	NOUN
eurjchem-2196	10	34	=	=	NOUN
eurjchem-2196	10	35	1.400	1.400	NUM
eurjchem-2196	10	36	g	g	NOUN
eurjchem-2196	10	37	/	/	SYM
eurjchem-2196	10	38	cm3	cm3	NOUN
eurjchem-2196	10	39	,	,	PUNCT
eurjchem-2196	10	40	9840	9840	NUM
eurjchem-2196	10	41	reflections	reflection	NOUN
eurjchem-2196	10	42	measured	measure	VERB
eurjchem-2196	10	43	(	(	PUNCT
eurjchem-2196	10	44	7.082	7.082	NUM
eurjchem-2196	10	45	°	°	NOUN
eurjchem-2196	10	46	≤	≤	NUM
eurjchem-2196	10	47	2θ	2θ	NUM
eurjchem-2196	10	48	≤	≤	NUM
eurjchem-2196	10	49	50.378	50.378	NUM
eurjchem-2196	10	50	°	°	NUM
eurjchem-2196	10	51	)	)	PUNCT
eurjchem-2196	10	52	,	,	PUNCT
eurjchem-2196	10	53	2519	2519	NUM
eurjchem-2196	10	54	unique	unique	ADJ
eurjchem-2196	10	55	(	(	PUNCT
eurjchem-2196	10	56	rint	rint	NOUN
eurjchem-2196	10	57	=	=	SYM
eurjchem-2196	10	58	0.0406	0.0406	NUM
eurjchem-2196	10	59	,	,	PUNCT
eurjchem-2196	10	60	rsigma	rsigma	ADJ
eurjchem-2196	10	61	=	=	SYM
eurjchem-2196	10	62	0.0335	0.0335	NUM
eurjchem-2196	10	63	)	)	PUNCT
eurjchem-2196	10	64	which	which	PRON
eurjchem-2196	10	65	were	be	AUX
eurjchem-2196	10	66	used	use	VERB
eurjchem-2196	10	67	in	in	ADP
eurjchem-2196	10	68	all	all	DET
eurjchem-2196	10	69	calculations	calculation	NOUN
eurjchem-2196	10	70	.	.	PUNCT
eurjchem-2196	11	1	the	the	DET
eurjchem-2196	11	2	final	final	ADJ
eurjchem-2196	11	3	r1	r1	NOUN
eurjchem-2196	11	4	was	be	AUX
eurjchem-2196	11	5	0.0397	0.0397	NUM
eurjchem-2196	11	6	(	(	PUNCT
eurjchem-2196	11	7	i	i	X
eurjchem-2196	11	8	>	>	X
eurjchem-2196	11	9	2σ(i	2σ(i	NUM
eurjchem-2196	11	10	)	)	PUNCT
eurjchem-2196	11	11	)	)	PUNCT
eurjchem-2196	12	1	and	and	CCONJ
eurjchem-2196	12	2	wr2	wr2	PROPN
eurjchem-2196	12	3	was	be	AUX
eurjchem-2196	12	4	0.0887	0.0887	NUM
eurjchem-2196	12	5	(	(	PUNCT
eurjchem-2196	12	6	all	all	DET
eurjchem-2196	12	7	data	datum	NOUN
eurjchem-2196	12	8	)	)	PUNCT
eurjchem-2196	12	9	.	.	PUNCT
eurjchem-2196	13	1	the	the	DET
eurjchem-2196	13	2	puckering	pucker	VERB
eurjchem-2196	13	3	parameters	parameter	NOUN
eurjchem-2196	13	4	(	(	PUNCT
eurjchem-2196	13	5	q2	q2	NOUN
eurjchem-2196	13	6	=	=	SYM
eurjchem-2196	13	7	0.019(3	0.019(3	NUM
eurjchem-2196	13	8	)	)	PUNCT
eurjchem-2196	13	9	å	å	NOUN
eurjchem-2196	13	10	,	,	PUNCT
eurjchem-2196	13	11	q3	q3	NOUN
eurjchem-2196	13	12	=	=	SYM
eurjchem-2196	13	13	0.578(3	0.578(3	ADJ
eurjchem-2196	13	14	)	)	PUNCT
eurjchem-2196	13	15	å	å	PROPN
eurjchem-2196	13	16	,	,	PUNCT
eurjchem-2196	13	17	θ	θ	X
eurjchem-2196	13	18	=	=	SYM
eurjchem-2196	13	19	1.0(3	1.0(3	NUM
eurjchem-2196	13	20	)	)	PUNCT
eurjchem-2196	13	21	°	°	NOUN
eurjchem-2196	13	22	and	and	CCONJ
eurjchem-2196	13	23	φ	φ	NUM
eurjchem-2196	13	24	=	=	SYM
eurjchem-2196	13	25	51(8	51(8	NUM
eurjchem-2196	13	26	)	)	PUNCT
eurjchem-2196	13	27	°	°	NOUN
eurjchem-2196	13	28	)	)	PUNCT
eurjchem-2196	13	29	of	of	ADP
eurjchem-2196	13	30	the	the	DET
eurjchem-2196	13	31	title	title	NOUN
eurjchem-2196	13	32	compound	compound	NOUN
eurjchem-2196	13	33	show	show	VERB
eurjchem-2196	13	34	that	that	SCONJ
eurjchem-2196	13	35	the	the	DET
eurjchem-2196	13	36	cyclohexane	cyclohexane	NOUN
eurjchem-2196	13	37	ring	ring	NOUN
eurjchem-2196	13	38	adopts	adopt	VERB
eurjchem-2196	13	39	a	a	DET
eurjchem-2196	13	40	chair	chair	NOUN
eurjchem-2196	13	41	conformation	conformation	NOUN
eurjchem-2196	13	42	.	.	PUNCT
eurjchem-2196	14	1	the	the	DET
eurjchem-2196	14	2	molecular	molecular	ADJ
eurjchem-2196	14	3	conformation	conformation	NOUN
eurjchem-2196	14	4	of	of	ADP
eurjchem-2196	14	5	the	the	DET
eurjchem-2196	14	6	title	title	NOUN
eurjchem-2196	14	7	compound	compound	NOUN
eurjchem-2196	14	8	is	be	AUX
eurjchem-2196	14	9	stabilized	stabilize	VERB
eurjchem-2196	14	10	by	by	ADP
eurjchem-2196	14	11	intramolecular	intramolecular	ADJ
eurjchem-2196	14	12	hydrogen	hydrogen	NOUN
eurjchem-2196	14	13	bonds	bond	NOUN
eurjchem-2196	14	14	(	(	PUNCT
eurjchem-2196	14	15	n2	n2	NOUN
eurjchem-2196	14	16	-	-	PUNCT
eurjchem-2196	14	17	h2⋅⋅⋅cl1	h2⋅⋅⋅cl1	ADJ
eurjchem-2196	14	18	,	,	PUNCT
eurjchem-2196	14	19	n2	n2	ADJ
eurjchem-2196	14	20	-	-	PUNCT
eurjchem-2196	14	21	h2⋅⋅⋅o1	h2⋅⋅⋅o1	NOUN
eurjchem-2196	14	22	,	,	PUNCT
eurjchem-2196	14	23	and	and	CCONJ
eurjchem-2196	14	24	c2	c2	PROPN
eurjchem-2196	14	25	-	-	PUNCT
eurjchem-2196	14	26	h2a⋅⋅⋅s1	h2a⋅⋅⋅s1	NOUN
eurjchem-2196	14	27	)	)	PUNCT
eurjchem-2196	14	28	and	and	CCONJ
eurjchem-2196	14	29	intermolecular	intermolecular	ADJ
eurjchem-2196	14	30	hydrogen	hydrogen	NOUN
eurjchem-2196	14	31	bonds	bond	NOUN
eurjchem-2196	14	32	(	(	PUNCT
eurjchem-2196	14	33	n1h1⋅⋅⋅s1i	n1h1⋅⋅⋅s1i	X
eurjchem-2196	14	34	and	and	CCONJ
eurjchem-2196	14	35	c9	c9	PROPN
eurjchem-2196	14	36	-	-	PUNCT
eurjchem-2196	14	37	ha⋅⋅⋅s1i	ha⋅⋅⋅s1i	NOUN
eurjchem-2196	15	1	i	i	NOUN
eurjchem-2196	15	2	:	:	PUNCT
eurjchem-2196	15	3	2	2	NUM
eurjchem-2196	15	4	-	-	SYM
eurjchem-2196	15	5	x	x	NOUN
eurjchem-2196	15	6	,	,	PUNCT
eurjchem-2196	15	7	2	2	NUM
eurjchem-2196	15	8	-	-	SYM
eurjchem-2196	15	9	y	y	NOUN
eurjchem-2196	15	10	,	,	PUNCT
eurjchem-2196	15	11	1	1	NUM
eurjchem-2196	15	12	-	-	SYM
eurjchem-2196	15	13	z	z	NUM
eurjchem-2196	15	14	)	)	PUNCT
eurjchem-2196	15	15	.	.	PUNCT
eurjchem-2196	16	1	the	the	DET
eurjchem-2196	16	2	intramolecular	intramolecular	ADJ
eurjchem-2196	16	3	hydrogen	hydrogen	NOUN
eurjchem-2196	16	4	bonds	bond	NOUN
eurjchem-2196	16	5	(	(	PUNCT
eurjchem-2196	16	6	n2	n2	ADJ
eurjchem-2196	16	7	-	-	ADJ
eurjchem-2196	16	8	h2⋅⋅⋅o1	h2⋅⋅⋅o1	NOUN
eurjchem-2196	16	9	and	and	CCONJ
eurjchem-2196	16	10	c2	c2	PROPN
eurjchem-2196	16	11	-	-	PUNCT
eurjchem-2196	16	12	h2a⋅⋅⋅s1	h2a⋅⋅⋅s1	NOUN
eurjchem-2196	16	13	)	)	PUNCT
eurjchem-2196	16	14	are	be	AUX
eurjchem-2196	16	15	also	also	ADV
eurjchem-2196	16	16	form	form	VERB
eurjchem-2196	16	17	two	two	NUM
eurjchem-2196	16	18	pseudo	pseudo	NOUN
eurjchem-2196	16	19	-	-	ADJ
eurjchem-2196	16	20	six	six	NUM
eurjchem-2196	16	21	-	-	PUNCT
eurjchem-2196	16	22	membered	membere	VERB
eurjchem-2196	16	23	rings	ring	NOUN
eurjchem-2196	16	24	.	.	PUNCT
eurjchem-2196	17	1	density	density	NOUN
eurjchem-2196	17	2	functional	functional	ADJ
eurjchem-2196	17	3	theory	theory	NOUN
eurjchem-2196	17	4	optimized	optimize	VERB
eurjchem-2196	17	5	structure	structure	NOUN
eurjchem-2196	17	6	in	in	ADP
eurjchem-2196	17	7	the	the	DET
eurjchem-2196	17	8	gaseous	gaseous	ADJ
eurjchem-2196	17	9	phase	phase	NOUN
eurjchem-2196	17	10	at	at	ADP
eurjchem-2196	17	11	b3lyp/6	b3lyp/6	PROPN
eurjchem-2196	17	12	-	-	NOUN
eurjchem-2196	17	13	311g(d	311g(d	NUM
eurjchem-2196	17	14	,	,	PUNCT
eurjchem-2196	17	15	p	p	NOUN
eurjchem-2196	17	16	)	)	PUNCT
eurjchem-2196	17	17	level	level	NOUN
eurjchem-2196	17	18	of	of	ADP
eurjchem-2196	17	19	theory	theory	NOUN
eurjchem-2196	17	20	has	have	AUX
eurjchem-2196	17	21	been	be	AUX
eurjchem-2196	17	22	compared	compare	VERB
eurjchem-2196	17	23	with	with	ADP
eurjchem-2196	17	24	the	the	DET
eurjchem-2196	17	25	experimentally	experimentally	ADV
eurjchem-2196	17	26	defined	define	VERB
eurjchem-2196	17	27	molecular	molecular	ADJ
eurjchem-2196	17	28	structure	structure	NOUN
eurjchem-2196	17	29	.	.	PUNCT
eurjchem-2196	18	1	the	the	DET
eurjchem-2196	18	2	molecular	molecular	ADJ
eurjchem-2196	18	3	orbitals	orbital	NOUN
eurjchem-2196	18	4	homo	homo	NOUN
eurjchem-2196	18	5	and	and	CCONJ
eurjchem-2196	18	6	lumo	lumo	NOUN
eurjchem-2196	18	7	with	with	ADP
eurjchem-2196	18	8	the	the	DET
eurjchem-2196	18	9	energy	energy	NOUN
eurjchem-2196	18	10	gap	gap	NOUN
eurjchem-2196	18	11	for	for	ADP
eurjchem-2196	18	12	the	the	DET
eurjchem-2196	18	13	title	title	NOUN
eurjchem-2196	18	14	compound	compound	NOUN
eurjchem-2196	18	15	are	be	AUX
eurjchem-2196	18	16	calculated	calculate	VERB
eurjchem-2196	18	17	and	and	CCONJ
eurjchem-2196	18	18	the	the	DET
eurjchem-2196	18	19	estimated	estimate	VERB
eurjchem-2196	18	20	energy	energy	NOUN
eurjchem-2196	18	21	gap	gap	NOUN
eurjchem-2196	18	22	(	(	PUNCT
eurjchem-2196	18	23	δe	δe	NOUN
eurjchem-2196	18	24	)	)	PUNCT
eurjchem-2196	18	25	between	between	ADP
eurjchem-2196	18	26	the	the	DET
eurjchem-2196	18	27	homo	homo	NOUN
eurjchem-2196	18	28	and	and	CCONJ
eurjchem-2196	18	29	lumo	lumo	NOUN
eurjchem-2196	18	30	energies	energy	NOUN
eurjchem-2196	18	31	levels	level	NOUN
eurjchem-2196	18	32	of	of	ADP
eurjchem-2196	18	33	the	the	DET
eurjchem-2196	18	34	title	title	NOUN
eurjchem-2196	18	35	compound	compound	NOUN
eurjchem-2196	18	36	is	be	AUX
eurjchem-2196	18	37	3.5399	3.5399	NUM
eurjchem-2196	18	38	ev	ev	NOUN
eurjchem-2196	18	39	,	,	PUNCT
eurjchem-2196	18	40	which	which	PRON
eurjchem-2196	18	41	implies	imply	VERB
eurjchem-2196	18	42	that	that	SCONJ
eurjchem-2196	18	43	the	the	DET
eurjchem-2196	18	44	title	title	NOUN
eurjchem-2196	18	45	molecule	molecule	NOUN
eurjchem-2196	18	46	is	be	AUX
eurjchem-2196	18	47	very	very	ADV
eurjchem-2196	18	48	reactive	reactive	ADJ
eurjchem-2196	18	49	.	.	PUNCT
eurjchem-2196	19	1	the	the	DET
eurjchem-2196	19	2	hirshfeld	hirshfeld	PROPN
eurjchem-2196	19	3	surface	surface	NOUN
eurjchem-2196	19	4	analysis	analysis	NOUN
eurjchem-2196	19	5	reveals	reveal	VERB
eurjchem-2196	19	6	that	that	SCONJ
eurjchem-2196	19	7	the	the	DET
eurjchem-2196	19	8	most	most	ADV
eurjchem-2196	19	9	important	important	ADJ
eurjchem-2196	19	10	contributions	contribution	NOUN
eurjchem-2196	19	11	to	to	ADP
eurjchem-2196	19	12	crystal	crystal	NOUN
eurjchem-2196	19	13	packing	packing	NOUN
eurjchem-2196	19	14	are	be	AUX
eurjchem-2196	19	15	from	from	ADP
eurjchem-2196	19	16	h···h	h···h	PROPN
eurjchem-2196	19	17	(	(	PUNCT
eurjchem-2196	19	18	49.0	49.0	NUM
eurjchem-2196	19	19	%	%	NOUN
eurjchem-2196	19	20	)	)	PUNCT
eurjchem-2196	19	21	,	,	PUNCT
eurjchem-2196	19	22	h···c	h···c	PROPN
eurjchem-2196	19	23	/	/	SYM
eurjchem-2196	19	24	c···h	c···h	PROPN
eurjchem-2196	19	25	(	(	PUNCT
eurjchem-2196	19	26	12.5	12.5	NUM
eurjchem-2196	19	27	%	%	NOUN
eurjchem-2196	19	28	)	)	PUNCT
eurjchem-2196	19	29	,	,	PUNCT
eurjchem-2196	19	30	h···cl	h···cl	PROPN
eurjchem-2196	19	31	/	/	SYM
eurjchem-2196	19	32	cl···h	cl···h	PROPN
eurjchem-2196	19	33	(	(	PUNCT
eurjchem-2196	19	34	10.9	10.9	NUM
eurjchem-2196	19	35	%	%	NOUN
eurjchem-2196	19	36	)	)	PUNCT
eurjchem-2196	19	37	,	,	PUNCT
eurjchem-2196	19	38	and	and	CCONJ
eurjchem-2196	19	39	h···s	h···s	PROPN
eurjchem-2196	19	40	/	/	SYM
eurjchem-2196	19	41	s···h	s···h	PROPN
eurjchem-2196	19	42	(	(	PUNCT
eurjchem-2196	19	43	10.0	10.0	NUM
eurjchem-2196	19	44	%	%	NOUN
eurjchem-2196	19	45	)	)	PUNCT
eurjchem-2196	19	46	interactions	interaction	NOUN
eurjchem-2196	19	47	.	.	PUNCT
eurjchem-2196	20	1	the	the	DET
eurjchem-2196	20	2	energy	energy	NOUN
eurjchem-2196	20	3	-	-	PUNCT
eurjchem-2196	20	4	framework	framework	NOUN
eurjchem-2196	20	5	calculations	calculation	NOUN
eurjchem-2196	20	6	are	be	AUX
eurjchem-2196	20	7	used	use	VERB
eurjchem-2196	20	8	to	to	PART
eurjchem-2196	20	9	analyze	analyze	VERB
eurjchem-2196	20	10	and	and	CCONJ
eurjchem-2196	20	11	visualize	visualize	VERB
eurjchem-2196	20	12	the	the	DET
eurjchem-2196	20	13	threedimensional	threedimensional	ADJ
eurjchem-2196	20	14	topology	topology	NOUN
eurjchem-2196	20	15	of	of	ADP
eurjchem-2196	20	16	the	the	DET
eurjchem-2196	20	17	crystal	crystal	NOUN
eurjchem-2196	20	18	packing	packing	NOUN
eurjchem-2196	20	19	.	.	PUNCT
eurjchem-2196	21	1	the	the	DET
eurjchem-2196	21	2	intermolecular	intermolecular	ADJ
eurjchem-2196	21	3	energy	energy	NOUN
eurjchem-2196	21	4	analysis	analysis	NOUN
eurjchem-2196	21	5	confirmed	confirm	VERB
eurjchem-2196	21	6	a	a	DET
eurjchem-2196	21	7	significant	significant	ADJ
eurjchem-2196	21	8	contribution	contribution	NOUN
eurjchem-2196	21	9	of	of	ADP
eurjchem-2196	21	10	dispersion	dispersion	NOUN
eurjchem-2196	21	11	to	to	ADP
eurjchem-2196	21	12	the	the	DET
eurjchem-2196	21	13	stabilization	stabilization	NOUN
eurjchem-2196	21	14	of	of	ADP
eurjchem-2196	21	15	molecular	molecular	ADJ
eurjchem-2196	21	16	packings	packing	NOUN
eurjchem-2196	21	17	in	in	ADP
eurjchem-2196	21	18	the	the	DET
eurjchem-2196	21	19	title	title	NOUN
eurjchem-2196	21	20	compound	compound	NOUN
eurjchem-2196	21	21	.	.	PUNCT
eurjchem-2196	22	1	benzoylthiourea	benzoylthiourea	PROPN
eurjchem-2196	22	2	chair	chair	PROPN
eurjchem-2196	22	3	conformation	conformation	PROPN
eurjchem-2196	22	4	cyclohexanecarboxamide	cyclohexanecarboxamide	PROPN
eurjchem-2196	22	5	crystal	crystal	NOUN
eurjchem-2196	22	6	structure	structure	NOUN
eurjchem-2196	22	7	analysis	analysis	NOUN
eurjchem-2196	22	8	hirshfeld	hirshfeld	PROPN
eurjchem-2196	22	9	surface	surface	NOUN
eurjchem-2196	22	10	analysis	analysis	NOUN
eurjchem-2196	22	11	density	density	NOUN
eurjchem-2196	22	12	functional	functional	ADJ
eurjchem-2196	22	13	theory	theory	NOUN
eurjchem-2196	22	14	(	(	PUNCT
eurjchem-2196	22	15	dft	dft	NOUN
eurjchem-2196	22	16	)	)	PUNCT
eurjchem-2196	22	17	cite	cite	VERB
eurjchem-2196	22	18	this	this	PRON
eurjchem-2196	22	19	:	:	PUNCT
eurjchem-2196	22	20	eur	eur	PROPN
eurjchem-2196	22	21	.	.	PUNCT
eurjchem-2196	23	1	j.	j.	PROPN
eurjchem-2196	23	2	chem	chem	PROPN
eurjchem-2196	23	3	.	.	PUNCT
eurjchem-2196	24	1	2021	2021	NUM
eurjchem-2196	24	2	,	,	PUNCT
eurjchem-2196	24	3	12(4	12(4	NUM
eurjchem-2196	24	4	)	)	PUNCT
eurjchem-2196	24	5	,	,	PUNCT
eurjchem-2196	24	6	439	439	NUM
eurjchem-2196	24	7	-	-	SYM
eurjchem-2196	24	8	449	449	NUM
eurjchem-2196	24	9	journal	journal	NOUN
eurjchem-2196	24	10	website	website	NOUN
eurjchem-2196	24	11	:	:	PUNCT
eurjchem-2196	25	1	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2196	25	2	1	1	X
eurjchem-2196	25	3	.	.	PUNCT
eurjchem-2196	25	4	introduction	introduction	NOUN
eurjchem-2196	25	5	coordination	coordination	NOUN
eurjchem-2196	25	6	compounds	compound	NOUN
eurjchem-2196	25	7	have	have	AUX
eurjchem-2196	25	8	attracted	attract	VERB
eurjchem-2196	25	9	a	a	DET
eurjchem-2196	25	10	great	great	ADJ
eurjchem-2196	25	11	deal	deal	NOUN
eurjchem-2196	25	12	of	of	ADP
eurjchem-2196	25	13	attention	attention	NOUN
eurjchem-2196	25	14	due	due	ADP
eurjchem-2196	25	15	to	to	ADP
eurjchem-2196	25	16	their	their	PRON
eurjchem-2196	25	17	structural	structural	ADJ
eurjchem-2196	25	18	variety	variety	NOUN
eurjchem-2196	25	19	,	,	PUNCT
eurjchem-2196	25	20	interesting	interesting	ADJ
eurjchem-2196	25	21	physical	physical	ADJ
eurjchem-2196	25	22	and	and	CCONJ
eurjchem-2196	25	23	chemical	chemical	NOUN
eurjchem-2196	25	24	properties	property	NOUN
eurjchem-2196	25	25	,	,	PUNCT
eurjchem-2196	25	26	and	and	CCONJ
eurjchem-2196	25	27	promising	promise	VERB
eurjchem-2196	25	28	applications	application	NOUN
eurjchem-2196	25	29	in	in	ADP
eurjchem-2196	25	30	many	many	ADJ
eurjchem-2196	25	31	fields	field	NOUN
eurjchem-2196	25	32	[	[	X
eurjchem-2196	25	33	1,2	1,2	NUM
eurjchem-2196	25	34	]	]	PUNCT
eurjchem-2196	25	35	.	.	PUNCT
eurjchem-2196	26	1	coordination	coordination	NOUN
eurjchem-2196	26	2	compounds	compound	NOUN
eurjchem-2196	26	3	consist	consist	VERB
eurjchem-2196	26	4	of	of	ADP
eurjchem-2196	26	5	a	a	DET
eurjchem-2196	26	6	central	central	ADJ
eurjchem-2196	26	7	atom	atom	NOUN
eurjchem-2196	26	8	and	and	CCONJ
eurjchem-2196	26	9	a	a	DET
eurjchem-2196	26	10	ligand	ligand	NOUN
eurjchem-2196	26	11	attached	attach	VERB
eurjchem-2196	26	12	to	to	ADP
eurjchem-2196	26	13	the	the	DET
eurjchem-2196	26	14	central	central	ADJ
eurjchem-2196	26	15	atom	atom	NOUN
eurjchem-2196	26	16	.	.	PUNCT
eurjchem-2196	27	1	among	among	ADP
eurjchem-2196	27	2	these	these	PRON
eurjchem-2196	27	3	,	,	PUNCT
eurjchem-2196	27	4	the	the	DET
eurjchem-2196	27	5	nbenzoyl	nbenzoyl	ADJ
eurjchem-2196	27	6	thiourea	thiourea	NOUN
eurjchem-2196	27	7	derivatives	derivative	NOUN
eurjchem-2196	27	8	are	be	AUX
eurjchem-2196	27	9	versatile	versatile	ADJ
eurjchem-2196	27	10	ligands	ligand	NOUN
eurjchem-2196	27	11	that	that	PRON
eurjchem-2196	27	12	coordinate	coordinate	VERB
eurjchem-2196	27	13	to	to	PART
eurjchem-2196	27	14	form	form	VERB
eurjchem-2196	27	15	stable	stable	ADJ
eurjchem-2196	27	16	compounds	compound	NOUN
eurjchem-2196	27	17	.	.	PUNCT
eurjchem-2196	28	1	these	these	DET
eurjchem-2196	28	2	derivatives	derivative	NOUN
eurjchem-2196	28	3	possess	possess	VERB
eurjchem-2196	28	4	very	very	ADV
eurjchem-2196	28	5	strong	strong	ADJ
eurjchem-2196	28	6	donor	donor	NOUN
eurjchem-2196	28	7	groups	group	NOUN
eurjchem-2196	28	8	(	(	PUNCT
eurjchem-2196	28	9	carbonyl	carbonyl	NOUN
eurjchem-2196	28	10	and	and	CCONJ
eurjchem-2196	28	11	thioamide	thioamide	ADJ
eurjchem-2196	28	12	)	)	PUNCT
eurjchem-2196	28	13	that	that	PRON
eurjchem-2196	28	14	allow	allow	VERB
eurjchem-2196	28	15	the	the	DET
eurjchem-2196	28	16	preparation	preparation	NOUN
eurjchem-2196	28	17	of	of	ADP
eurjchem-2196	28	18	different	different	ADJ
eurjchem-2196	28	19	transition	transition	NOUN
eurjchem-2196	28	20	metal	metal	NOUN
eurjchem-2196	28	21	complexes	complex	NOUN
eurjchem-2196	28	22	,	,	PUNCT
eurjchem-2196	28	23	either	either	CCONJ
eurjchem-2196	28	24	monoanionic	monoanionic	ADJ
eurjchem-2196	28	25	bidentate	bidentate	NOUN
eurjchem-2196	28	26	form	form	NOUN
eurjchem-2196	28	27	by	by	ADP
eurjchem-2196	28	28	deprotonation	deprotonation	NOUN
eurjchem-2196	28	29	that	that	PRON
eurjchem-2196	28	30	forms	form	VERB
eurjchem-2196	28	31	neutral	neutral	ADJ
eurjchem-2196	28	32	homoleptic	homoleptic	ADJ
eurjchem-2196	28	33	or	or	CCONJ
eurjchem-2196	28	34	heteroleptic	heteroleptic	ADJ
eurjchem-2196	28	35	complexes	complex	NOUN
eurjchem-2196	28	36	with	with	ADP
eurjchem-2196	28	37	s	s	PROPN
eurjchem-2196	28	38	,	,	PUNCT
eurjchem-2196	28	39	o	o	NOUN
eurjchem-2196	28	40	coordination	coordination	NOUN
eurjchem-2196	28	41	or	or	CCONJ
eurjchem-2196	28	42	in	in	ADP
eurjchem-2196	28	43	neutral	neutral	ADJ
eurjchem-2196	28	44	form	form	NOUN
eurjchem-2196	28	45	only	only	ADV
eurjchem-2196	28	46	through	through	ADP
eurjchem-2196	28	47	the	the	DET
eurjchem-2196	28	48	s	s	X
eurjchem-2196	28	49	atom	atom	NOUN
eurjchem-2196	29	1	[	[	X
eurjchem-2196	29	2	3	3	NUM
eurjchem-2196	29	3	-	-	SYM
eurjchem-2196	29	4	21	21	NUM
eurjchem-2196	29	5	]	]	PUNCT
eurjchem-2196	29	6	.	.	PUNCT
eurjchem-2196	30	1	several	several	ADJ
eurjchem-2196	30	2	benzoyl	benzoyl	NOUN
eurjchem-2196	30	3	thiourea	thiourea	NOUN
eurjchem-2196	30	4	derivatives	derivative	NOUN
eurjchem-2196	30	5	and	and	CCONJ
eurjchem-2196	30	6	their	their	PRON
eurjchem-2196	30	7	metal	metal	NOUN
eurjchem-2196	30	8	complexes	complex	NOUN
eurjchem-2196	30	9	are	be	AUX
eurjchem-2196	30	10	also	also	ADV
eurjchem-2196	30	11	associated	associate	VERB
eurjchem-2196	30	12	with	with	ADP
eurjchem-2196	30	13	various	various	ADJ
eurjchem-2196	30	14	types	type	NOUN
eurjchem-2196	30	15	of	of	ADP
eurjchem-2196	30	16	biological	biological	ADJ
eurjchem-2196	30	17	activities	activity	NOUN
eurjchem-2196	30	18	such	such	ADJ
eurjchem-2196	30	19	as	as	ADP
eurjchem-2196	30	20	insecticidal	insecticidal	NOUN
eurjchem-2196	30	21	,	,	PUNCT
eurjchem-2196	30	22	herbicidal	herbicidal	NOUN
eurjchem-2196	30	23	,	,	PUNCT
eurjchem-2196	30	24	antibacterial	antibacterial	ADJ
eurjchem-2196	30	25	,	,	PUNCT
eurjchem-2196	30	26	antifungal	antifungal	ADJ
eurjchem-2196	30	27	,	,	PUNCT
eurjchem-2196	30	28	antitubercular	antitubercular	ADJ
eurjchem-2196	30	29	,	,	PUNCT
eurjchem-2196	30	30	antithyroid	antithyroid	ADJ
eurjchem-2196	30	31	,	,	PUNCT
eurjchem-2196	30	32	anthelmintic	anthelmintic	ADJ
eurjchem-2196	30	33	,	,	PUNCT
eurjchem-2196	30	34	rodenticidal	rodenticidal	ADJ
eurjchem-2196	30	35	,	,	PUNCT
eurjchem-2196	30	36	and	and	CCONJ
eurjchem-2196	30	37	plant	plant	NOUN
eurjchem-2196	30	38	growth	growth	NOUN
eurjchem-2196	30	39	regulator	regulator	NOUN
eurjchem-2196	30	40	properties	property	NOUN
eurjchem-2196	30	41	[	[	X
eurjchem-2196	30	42	22	22	NUM
eurjchem-2196	30	43	-	-	SYM
eurjchem-2196	30	44	25	25	NUM
eurjchem-2196	30	45	]	]	PUNCT
eurjchem-2196	30	46	.	.	PUNCT
eurjchem-2196	31	1	our	our	PRON
eurjchem-2196	31	2	colleagues	colleague	NOUN
eurjchem-2196	31	3	have	have	AUX
eurjchem-2196	31	4	pursued	pursue	VERB
eurjchem-2196	31	5	investigations	investigation	NOUN
eurjchem-2196	31	6	on	on	ADP
eurjchem-2196	31	7	the	the	DET
eurjchem-2196	31	8	synthesis	synthesis	NOUN
eurjchem-2196	31	9	,	,	PUNCT
eurjchem-2196	31	10	characterization	characterization	NOUN
eurjchem-2196	31	11	,	,	PUNCT
eurjchem-2196	31	12	thermal	thermal	ADJ
eurjchem-2196	31	13	behavior	behavior	NOUN
eurjchem-2196	31	14	,	,	PUNCT
eurjchem-2196	31	15	antimicrobial	antimicrobial	ADJ
eurjchem-2196	31	16	activity	activity	NOUN
eurjchem-2196	31	17	,	,	PUNCT
eurjchem-2196	31	18	and	and	CCONJ
eurjchem-2196	31	19	catalytic	catalytic	ADJ
eurjchem-2196	31	20	activity	activity	NOUN
eurjchem-2196	31	21	of	of	ADP
eurjchem-2196	31	22	benzoyl	benzoyl	ADJ
eurjchem-2196	31	23	thiourea	thiourea	NOUN
eurjchem-2196	31	24	derivatives	derivative	NOUN
eurjchem-2196	31	25	[	[	X
eurjchem-2196	31	26	26	26	NUM
eurjchem-2196	31	27	-	-	SYM
eurjchem-2196	31	28	35	35	NUM
eurjchem-2196	31	29	]	]	PUNCT
eurjchem-2196	31	30	.	.	PUNCT
eurjchem-2196	32	1	based	base	VERB
eurjchem-2196	32	2	upon	upon	SCONJ
eurjchem-2196	32	3	the	the	DET
eurjchem-2196	32	4	literature	literature	NOUN
eurjchem-2196	32	5	search	search	NOUN
eurjchem-2196	32	6	,	,	PUNCT
eurjchem-2196	32	7	we	we	PRON
eurjchem-2196	32	8	could	could	AUX
eurjchem-2196	32	9	find	find	VERB
eurjchem-2196	32	10	no	no	DET
eurjchem-2196	32	11	crystal	crystal	NOUN
eurjchem-2196	32	12	structure	structure	NOUN
eurjchem-2196	32	13	characterization	characterization	NOUN
eurjchem-2196	32	14	of	of	ADP
eurjchem-2196	32	15	n-(2	n-(2	ADJ
eurjchem-2196	32	16	-	-	PUNCT
eurjchem-2196	32	17	chlorophenylcarbamothioyl)cyclohexanecarboxamide	chlorophenylcarbamothioyl)cyclohexanecarboxamide	NOUN
eurjchem-2196	32	18	compound	compound	NOUN
eurjchem-2196	32	19	except	except	SCONJ
eurjchem-2196	32	20	reference	reference	NOUN
eurjchem-2196	32	21	[	[	X
eurjchem-2196	32	22	28	28	NUM
eurjchem-2196	32	23	]	]	PUNCT
eurjchem-2196	32	24	.	.	PUNCT
eurjchem-2196	33	1	in	in	ADP
eurjchem-2196	33	2	this	this	DET
eurjchem-2196	33	3	work	work	NOUN
eurjchem-2196	33	4	,	,	PUNCT
eurjchem-2196	33	5	in	in	ADP
eurjchem-2196	33	6	continuation	continuation	NOUN
eurjchem-2196	33	7	of	of	ADP
eurjchem-2196	33	8	our	our	PRON
eurjchem-2196	33	9	ongoing	ongoing	ADJ
eurjchem-2196	33	10	interest	interest	NOUN
eurjchem-2196	33	11	in	in	ADP
eurjchem-2196	33	12	structural	structural	ADJ
eurjchem-2196	33	13	studies	study	NOUN
eurjchem-2196	33	14	of	of	ADP
eurjchem-2196	33	15	thiourea	thiourea	NOUN
eurjchem-2196	33	16	derivative	derivative	ADJ
eurjchem-2196	33	17	molecules	molecule	NOUN
eurjchem-2196	34	1	[	[	X
eurjchem-2196	34	2	26	26	NUM
eurjchem-2196	34	3	-	-	SYM
eurjchem-2196	34	4	35	35	NUM
eurjchem-2196	34	5	]	]	PUNCT
eurjchem-2196	34	6	,	,	PUNCT
eurjchem-2196	34	7	we	we	PRON
eurjchem-2196	34	8	re	re	VERB
eurjchem-2196	34	9	-	-	VERB
eurjchem-2196	34	10	refined	refined	ADJ
eurjchem-2196	34	11	and	and	CCONJ
eurjchem-2196	34	12	report	report	VERB
eurjchem-2196	34	13	the	the	DET
eurjchem-2196	34	14	single	single	ADJ
eurjchem-2196	34	15	-	-	PUNCT
eurjchem-2196	34	16	crystal	crystal	NOUN
eurjchem-2196	34	17	x	x	ADJ
eurjchem-2196	34	18	-	-	NOUN
eurjchem-2196	34	19	ray	ray	NOUN
eurjchem-2196	34	20	diffraction	diffraction	NOUN
eurjchem-2196	34	21	study	study	NOUN
eurjchem-2196	34	22	of	of	ADP
eurjchem-2196	34	23	the	the	DET
eurjchem-2196	34	24	title	title	NOUN
eurjchem-2196	34	25	compound	compound	NOUN
eurjchem-2196	34	26	.	.	PUNCT
eurjchem-2196	35	1	in	in	ADP
eurjchem-2196	35	2	addition	addition	NOUN
eurjchem-2196	35	3	,	,	PUNCT
eurjchem-2196	35	4	density	density	NOUN
eurjchem-2196	35	5	functional	functional	ADJ
eurjchem-2196	35	6	theory	theory	NOUN
eurjchem-2196	35	7	optimized	optimize	VERB
eurjchem-2196	35	8	structure	structure	NOUN
eurjchem-2196	35	9	in	in	ADP
eurjchem-2196	35	10	the	the	DET
eurjchem-2196	35	11	gaseous	gaseous	ADJ
eurjchem-2196	35	12	phase	phase	NOUN
eurjchem-2196	35	13	at	at	ADP
eurjchem-2196	35	14	b3lyp/6	b3lyp/6	PROPN
eurjchem-2196	35	15	-	-	NOUN
eurjchem-2196	35	16	311g(d	311g(d	NUM
eurjchem-2196	35	17	,	,	PUNCT
eurjchem-2196	35	18	p	p	NOUN
eurjchem-2196	35	19	)	)	PUNCT
eurjchem-2196	35	20	level	level	NOUN
eurjchem-2196	35	21	has	have	AUX
eurjchem-2196	35	22	been	be	AUX
eurjchem-2196	35	23	compared	compare	VERB
eurjchem-2196	35	24	with	with	ADP
eurjchem-2196	35	25	the	the	DET
eurjchem-2196	35	26	experimentally	experimentally	ADV
eurjchem-2196	35	27	defined	define	VERB
eurjchem-2196	35	28	new	new	ADJ
eurjchem-2196	35	29	re	re	ADJ
eurjchem-2196	35	30	-	-	ADJ
eurjchem-2196	35	31	refined	refined	ADJ
eurjchem-2196	35	32	molecular	molecular	ADJ
eurjchem-2196	35	33	structure	structure	NOUN
eurjchem-2196	35	34	.	.	PUNCT
eurjchem-2196	36	1	a	a	DET
eurjchem-2196	36	2	hirshfeld	hirshfeld	PROPN
eurjchem-2196	36	3	surface	surface	NOUN
eurjchem-2196	36	4	analysis	analysis	NOUN
eurjchem-2196	36	5	and	and	CCONJ
eurjchem-2196	36	6	energy	energy	NOUN
eurjchem-2196	36	7	framework	framework	NOUN
eurjchem-2196	36	8	study	study	NOUN
eurjchem-2196	36	9	was	be	AUX
eurjchem-2196	36	10	also	also	ADV
eurjchem-2196	36	11	performed	perform	VERB
eurjchem-2196	36	12	to	to	PART
eurjchem-2196	36	13	complement	complement	VERB
eurjchem-2196	36	14	the	the	DET
eurjchem-2196	36	15	experimental	experimental	ADJ
eurjchem-2196	36	16	results	result	NOUN
eurjchem-2196	36	17	to	to	PART
eurjchem-2196	36	18	attempt	attempt	VERB
eurjchem-2196	36	19	to	to	PART
eurjchem-2196	36	20	understand	understand	VERB
eurjchem-2196	36	21	the	the	DET
eurjchem-2196	36	22	nature	nature	NOUN
eurjchem-2196	36	23	of	of	ADP
eurjchem-2196	36	24	the	the	DET
eurjchem-2196	36	25	described	describe	VERB
eurjchem-2196	36	26	noncovalent	noncovalent	NOUN
eurjchem-2196	36	27	abstract	abstract	ADJ
eurjchem-2196	36	28	research	research	NOUN
eurjchem-2196	36	29	article	article	NOUN
eurjchem-2196	36	30	keywords	keyword	VERB
eurjchem-2196	36	31	https://dx.doi.org/10.5155/eurjchem.12.4.439-449.2196	https://dx.doi.org/10.5155/eurjchem.12.4.439-449.2196	PROPN
eurjchem-2196	36	32	https://www.eurjchem.com/	https://www.eurjchem.com/	ADJ
eurjchem-2196	36	33	https://dx.doi.org/10.5155/eurjchem.12.4.439-449.2196	https://dx.doi.org/10.5155/eurjchem.12.4.439-449.2196	PROPN
eurjchem-2196	36	34	mailto:c.korayozer@gmail.com	mailto:c.korayozer@gmail.com	X
eurjchem-2196	36	35	mailto:hakan.arslan@mersin.edu.tr	mailto:hakan.arslan@mersin.edu.tr	PROPN
eurjchem-2196	36	36	mailto:ummuhansolmaz@mersin.edu.tr	mailto:ummuhansolmaz@mersin.edu.tr	PROPN
eurjchem-2196	36	37	mailto:ummuhansolmaz@mersin.edu.tr	mailto:ummuhansolmaz@mersin.edu.tr	PROPN
eurjchem-2196	36	38	http://www.eurjchem.com/	http://www.eurjchem.com/	NOUN
eurjchem-2196	36	39	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.12.4.439-449.2196&domain=pdf&date_stamp=2021-12-31	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.12.4.439-449.2196&domain=pdf&date_stamp=2021-12-31	PROPN
eurjchem-2196	37	1	440	440	NUM
eurjchem-2196	37	2	ozer	ozer	NOUN
eurjchem-2196	37	3	et	et	PROPN
eurjchem-2196	37	4	al	al	PROPN
eurjchem-2196	37	5	.	.	PUNCT
eurjchem-2196	37	6	/	/	SYM
eurjchem-2196	37	7	european	european	PROPN
eurjchem-2196	37	8	journal	journal	PROPN
eurjchem-2196	37	9	of	of	ADP
eurjchem-2196	37	10	chemistry	chemistry	NOUN
eurjchem-2196	37	11	12	12	NUM
eurjchem-2196	37	12	(	(	PUNCT
eurjchem-2196	37	13	4	4	NUM
eurjchem-2196	37	14	)	)	PUNCT
eurjchem-2196	37	15	(	(	PUNCT
eurjchem-2196	37	16	2021	2021	NUM
eurjchem-2196	37	17	)	)	PUNCT
eurjchem-2196	37	18	439	439	NUM
eurjchem-2196	37	19	-	-	SYM
eurjchem-2196	37	20	449	449	NUM
eurjchem-2196	37	21	2021	2021	NUM
eurjchem-2196	37	22	–	–	PUNCT
eurjchem-2196	37	23	european	european	ADJ
eurjchem-2196	37	24	journal	journal	NOUN
eurjchem-2196	37	25	of	of	ADP
eurjchem-2196	37	26	chemistry	chemistry	NOUN
eurjchem-2196	37	27	–	–	PUNCT
eurjchem-2196	37	28	cc	cc	NOUN
eurjchem-2196	37	29	by	by	ADP
eurjchem-2196	37	30	nc	nc	PROPN
eurjchem-2196	37	31	–	–	PUNCT
eurjchem-2196	37	32	doi	doi	PROPN
eurjchem-2196	37	33	:	:	PUNCT
eurjchem-2196	37	34	10.5155	10.5155	NUM
eurjchem-2196	37	35	/	/	SYM
eurjchem-2196	37	36	eurjchem.12.4.439	eurjchem.12.4.439	NOUN
eurjchem-2196	37	37	-	-	PUNCT
eurjchem-2196	37	38	449.2196	449.2196	NUM
eurjchem-2196	37	39	o	o	NOUN
eurjchem-2196	37	40	cl	cl	NOUN
eurjchem-2196	37	41	o	o	NOUN
eurjchem-2196	37	42	n	n	PRON
eurjchem-2196	37	43	c	c	NOUN
eurjchem-2196	37	44	s	s	NOUN
eurjchem-2196	37	45	kscn	kscn	NOUN
eurjchem-2196	37	46	kcl	kcl	PROPN
eurjchem-2196	37	47	cl	cl	PROPN
eurjchem-2196	37	48	nh2	nh2	PROPN
eurjchem-2196	37	49	o	o	PROPN
eurjchem-2196	37	50	n	n	PRON
eurjchem-2196	37	51	h	h	NOUN
eurjchem-2196	37	52	s	s	PART
eurjchem-2196	37	53	n	n	ADV
eurjchem-2196	37	54	h	h	NOUN
eurjchem-2196	37	55	clo	clo	PROPN
eurjchem-2196	37	56	n	n	PROPN
eurjchem-2196	37	57	c	c	NOUN
eurjchem-2196	37	58	s	s	NOUN
eurjchem-2196	37	59	scheme	scheme	NOUN
eurjchem-2196	37	60	1	1	NUM
eurjchem-2196	37	61	.	.	PUNCT
eurjchem-2196	37	62	synthesis	synthesis	NOUN
eurjchem-2196	37	63	of	of	ADP
eurjchem-2196	37	64	the	the	DET
eurjchem-2196	37	65	title	title	NOUN
eurjchem-2196	37	66	compound	compound	NOUN
eurjchem-2196	37	67	(	(	PUNCT
eurjchem-2196	37	68	h2l	h2l	PROPN
eurjchem-2196	37	69	)	)	PUNCT
eurjchem-2196	37	70	.	.	PUNCT
eurjchem-2196	38	1	figure	figure	NOUN
eurjchem-2196	38	2	1	1	NUM
eurjchem-2196	38	3	.	.	PUNCT
eurjchem-2196	39	1	the	the	DET
eurjchem-2196	39	2	molecular	molecular	ADJ
eurjchem-2196	39	3	structure	structure	NOUN
eurjchem-2196	39	4	of	of	ADP
eurjchem-2196	39	5	the	the	DET
eurjchem-2196	39	6	title	title	NOUN
eurjchem-2196	39	7	compound	compound	NOUN
eurjchem-2196	39	8	.	.	PUNCT
eurjchem-2196	40	1	interactions	interaction	NOUN
eurjchem-2196	40	2	in	in	ADP
eurjchem-2196	40	3	the	the	DET
eurjchem-2196	40	4	supramolecular	supramolecular	ADJ
eurjchem-2196	40	5	network	network	NOUN
eurjchem-2196	40	6	of	of	ADP
eurjchem-2196	40	7	the	the	DET
eurjchem-2196	40	8	title	title	NOUN
eurjchem-2196	40	9	compound	compound	NOUN
eurjchem-2196	40	10	.	.	PUNCT
eurjchem-2196	41	1	2	2	X
eurjchem-2196	41	2	.	.	X
eurjchem-2196	41	3	experimental	experimental	ADJ
eurjchem-2196	41	4	2.1	2.1	NUM
eurjchem-2196	41	5	.	.	PUNCT
eurjchem-2196	42	1	instrumentation	instrumentation	NOUN
eurjchem-2196	42	2	the	the	DET
eurjchem-2196	42	3	x	x	NOUN
eurjchem-2196	42	4	-	-	NOUN
eurjchem-2196	42	5	ray	ray	ADJ
eurjchem-2196	42	6	single	single	ADJ
eurjchem-2196	42	7	-	-	PUNCT
eurjchem-2196	42	8	crystal	crystal	NOUN
eurjchem-2196	42	9	diffraction	diffraction	NOUN
eurjchem-2196	42	10	data	datum	NOUN
eurjchem-2196	42	11	were	be	AUX
eurjchem-2196	42	12	recorded	record	VERB
eurjchem-2196	42	13	on	on	ADP
eurjchem-2196	42	14	a	a	DET
eurjchem-2196	42	15	rigaku	rigaku	NOUN
eurjchem-2196	42	16	mercury	mercury	NOUN
eurjchem-2196	42	17	afc8s	afc8s	PROPN
eurjchem-2196	42	18	system	system	NOUN
eurjchem-2196	42	19	with	with	ADP
eurjchem-2196	42	20	a	a	DET
eurjchem-2196	42	21	mercury	mercury	NOUN
eurjchem-2196	42	22	ccd	ccd	NOUN
eurjchem-2196	42	23	detector	detector	NOUN
eurjchem-2196	42	24	.	.	PUNCT
eurjchem-2196	43	1	a	a	DET
eurjchem-2196	43	2	suitable	suitable	ADJ
eurjchem-2196	43	3	crystal	crystal	NOUN
eurjchem-2196	43	4	was	be	AUX
eurjchem-2196	43	5	selected	select	VERB
eurjchem-2196	43	6	and	and	CCONJ
eurjchem-2196	43	7	mounted	mount	VERB
eurjchem-2196	43	8	onto	onto	ADP
eurjchem-2196	43	9	a	a	DET
eurjchem-2196	43	10	nylon	nylon	NOUN
eurjchem-2196	43	11	loop	loop	NOUN
eurjchem-2196	43	12	on	on	ADP
eurjchem-2196	43	13	a	a	DET
eurjchem-2196	43	14	rigaku	rigaku	NOUN
eurjchem-2196	43	15	mercury	mercury	NOUN
eurjchem-2196	43	16	system	system	NOUN
eurjchem-2196	43	17	.	.	PUNCT
eurjchem-2196	44	1	the	the	DET
eurjchem-2196	44	2	crystal	crystal	NOUN
eurjchem-2196	44	3	was	be	AUX
eurjchem-2196	44	4	kept	keep	VERB
eurjchem-2196	44	5	at	at	ADP
eurjchem-2196	44	6	t	t	NOUN
eurjchem-2196	44	7	=	=	SYM
eurjchem-2196	44	8	153(2	153(2	NUM
eurjchem-2196	44	9	)	)	PUNCT
eurjchem-2196	44	10	k	k	NOUN
eurjchem-2196	44	11	during	during	ADP
eurjchem-2196	44	12	data	data	NOUN
eurjchem-2196	44	13	collection	collection	NOUN
eurjchem-2196	44	14	.	.	PUNCT
eurjchem-2196	45	1	data	datum	NOUN
eurjchem-2196	45	2	were	be	AUX
eurjchem-2196	45	3	collected	collect	VERB
eurjchem-2196	45	4	with	with	ADP
eurjchem-2196	45	5	graphitemonochromated	graphitemonochromate	VERB
eurjchem-2196	45	6	mokα	mokα	ADJ
eurjchem-2196	45	7	radiation	radiation	NOUN
eurjchem-2196	45	8	(	(	PUNCT
eurjchem-2196	45	9	λ	λ	X
eurjchem-2196	45	10	=	=	SYM
eurjchem-2196	45	11	0.71073	0.71073	NUM
eurjchem-2196	45	12	å	å	NOUN
eurjchem-2196	45	13	)	)	PUNCT
eurjchem-2196	45	14	.	.	PUNCT
eurjchem-2196	46	1	using	use	VERB
eurjchem-2196	46	2	olex2	olex2	PROPN
eurjchem-2196	47	1	[	[	X
eurjchem-2196	47	2	36	36	NUM
eurjchem-2196	47	3	]	]	PUNCT
eurjchem-2196	47	4	,	,	PUNCT
eurjchem-2196	47	5	the	the	DET
eurjchem-2196	47	6	structure	structure	NOUN
eurjchem-2196	47	7	was	be	AUX
eurjchem-2196	47	8	solved	solve	VERB
eurjchem-2196	47	9	with	with	ADP
eurjchem-2196	47	10	the	the	DET
eurjchem-2196	47	11	superflip	superflip	NOUN
eurjchem-2196	47	12	[	[	X
eurjchem-2196	47	13	37	37	NUM
eurjchem-2196	47	14	-	-	SYM
eurjchem-2196	47	15	39	39	NUM
eurjchem-2196	47	16	]	]	PUNCT
eurjchem-2196	47	17	structure	structure	NOUN
eurjchem-2196	47	18	solution	solution	NOUN
eurjchem-2196	47	19	program	program	NOUN
eurjchem-2196	47	20	,	,	PUNCT
eurjchem-2196	47	21	using	use	VERB
eurjchem-2196	47	22	the	the	DET
eurjchem-2196	47	23	charge	charge	NOUN
eurjchem-2196	47	24	flipping	flipping	NOUN
eurjchem-2196	47	25	solution	solution	NOUN
eurjchem-2196	47	26	method	method	NOUN
eurjchem-2196	47	27	,	,	PUNCT
eurjchem-2196	47	28	and	and	CCONJ
eurjchem-2196	47	29	refined	refine	VERB
eurjchem-2196	47	30	by	by	ADP
eurjchem-2196	47	31	the	the	DET
eurjchem-2196	47	32	full	full	ADJ
eurjchem-2196	47	33	-	-	PUNCT
eurjchem-2196	47	34	matrix	matrix	NOUN
eurjchem-2196	47	35	least	least	ADJ
eurjchem-2196	47	36	squares	square	NOUN
eurjchem-2196	47	37	technique	technique	NOUN
eurjchem-2196	47	38	on	on	ADP
eurjchem-2196	47	39	f2	f2	PROPN
eurjchem-2196	47	40	using	use	VERB
eurjchem-2196	47	41	shelxl	shelxl	NOUN
eurjchem-2196	47	42	[	[	X
eurjchem-2196	47	43	40	40	NUM
eurjchem-2196	47	44	]	]	PUNCT
eurjchem-2196	47	45	with	with	ADP
eurjchem-2196	47	46	refinement	refinement	NOUN
eurjchem-2196	47	47	of	of	ADP
eurjchem-2196	47	48	f2	f2	PROPN
eurjchem-2196	47	49	against	against	ADP
eurjchem-2196	47	50	all	all	DET
eurjchem-2196	47	51	reflections	reflection	NOUN
eurjchem-2196	47	52	.	.	PUNCT
eurjchem-2196	48	1	all	all	DET
eurjchem-2196	48	2	non	non	ADJ
eurjchem-2196	48	3	-	-	ADJ
eurjchem-2196	48	4	h	h	ADJ
eurjchem-2196	48	5	atoms	atom	NOUN
eurjchem-2196	48	6	were	be	AUX
eurjchem-2196	48	7	refined	refine	VERB
eurjchem-2196	48	8	anisotropically	anisotropically	ADV
eurjchem-2196	48	9	.	.	PUNCT
eurjchem-2196	49	1	ortep	ortep	NOUN
eurjchem-2196	49	2	views	view	NOUN
eurjchem-2196	49	3	were	be	AUX
eurjchem-2196	49	4	drawn	draw	VERB
eurjchem-2196	49	5	using	use	VERB
eurjchem-2196	49	6	olex2	olex2	PROPN
eurjchem-2196	49	7	software	software	NOUN
eurjchem-2196	49	8	[	[	X
eurjchem-2196	49	9	36	36	NUM
eurjchem-2196	49	10	]	]	PUNCT
eurjchem-2196	49	11	.	.	PUNCT
eurjchem-2196	50	1	2.2	2.2	NUM
eurjchem-2196	50	2	.	.	PUNCT
eurjchem-2196	51	1	synthesis	synthesis	VERB
eurjchem-2196	51	2	the	the	DET
eurjchem-2196	51	3	compound	compound	NOUN
eurjchem-2196	51	4	was	be	AUX
eurjchem-2196	51	5	reported	report	VERB
eurjchem-2196	51	6	in	in	ADP
eurjchem-2196	51	7	a	a	DET
eurjchem-2196	51	8	previous	previous	ADJ
eurjchem-2196	51	9	study	study	NOUN
eurjchem-2196	51	10	in	in	ADP
eurjchem-2196	51	11	the	the	DET
eurjchem-2196	51	12	literature	literature	NOUN
eurjchem-2196	51	13	[	[	X
eurjchem-2196	51	14	27	27	NUM
eurjchem-2196	51	15	]	]	PUNCT
eurjchem-2196	51	16	.	.	PUNCT
eurjchem-2196	52	1	a	a	DET
eurjchem-2196	52	2	solution	solution	NOUN
eurjchem-2196	52	3	of	of	ADP
eurjchem-2196	52	4	cyclohexanecarbonyl	cyclohexanecarbonyl	ADJ
eurjchem-2196	52	5	chloride	chloride	NOUN
eurjchem-2196	52	6	(	(	PUNCT
eurjchem-2196	52	7	0.005	0.005	NUM
eurjchem-2196	52	8	mole	mole	NOUN
eurjchem-2196	52	9	)	)	PUNCT
eurjchem-2196	52	10	in	in	ADP
eurjchem-2196	52	11	acetone	acetone	NOUN
eurjchem-2196	52	12	(	(	PUNCT
eurjchem-2196	52	13	50	50	NUM
eurjchem-2196	52	14	ml	ml	NOUN
eurjchem-2196	52	15	)	)	PUNCT
eurjchem-2196	52	16	was	be	AUX
eurjchem-2196	52	17	added	add	VERB
eurjchem-2196	52	18	dropwise	dropwise	NOUN
eurjchem-2196	52	19	to	to	ADP
eurjchem-2196	52	20	a	a	DET
eurjchem-2196	52	21	suspension	suspension	NOUN
eurjchem-2196	52	22	of	of	ADP
eurjchem-2196	52	23	potassium	potassium	NOUN
eurjchem-2196	52	24	thiocyanate	thiocyanate	NOUN
eurjchem-2196	52	25	(	(	PUNCT
eurjchem-2196	52	26	0.005	0.005	NUM
eurjchem-2196	52	27	mole	mole	NOUN
eurjchem-2196	52	28	)	)	PUNCT
eurjchem-2196	52	29	in	in	ADP
eurjchem-2196	52	30	acetone	acetone	NOUN
eurjchem-2196	52	31	(	(	PUNCT
eurjchem-2196	52	32	50	50	NUM
eurjchem-2196	52	33	ml	ml	NOUN
eurjchem-2196	52	34	)	)	PUNCT
eurjchem-2196	52	35	.	.	PUNCT
eurjchem-2196	53	1	the	the	DET
eurjchem-2196	53	2	reaction	reaction	NOUN
eurjchem-2196	53	3	mixture	mixture	NOUN
eurjchem-2196	53	4	was	be	AUX
eurjchem-2196	53	5	heated	heat	VERB
eurjchem-2196	53	6	under	under	ADP
eurjchem-2196	53	7	reflux	reflux	NOUN
eurjchem-2196	53	8	for	for	ADP
eurjchem-2196	53	9	30	30	NUM
eurjchem-2196	53	10	min	min	NOUN
eurjchem-2196	53	11	and	and	CCONJ
eurjchem-2196	53	12	then	then	ADV
eurjchem-2196	53	13	cooled	cool	VERB
eurjchem-2196	53	14	to	to	ADP
eurjchem-2196	53	15	room	room	NOUN
eurjchem-2196	53	16	temperature	temperature	NOUN
eurjchem-2196	53	17	.	.	PUNCT
eurjchem-2196	54	1	a	a	DET
eurjchem-2196	54	2	solution	solution	NOUN
eurjchem-2196	54	3	of	of	ADP
eurjchem-2196	54	4	2chloro	2chloro	NUM
eurjchem-2196	54	5	benzylamine	benzylamine	NOUN
eurjchem-2196	54	6	(	(	PUNCT
eurjchem-2196	54	7	0.005	0.005	NUM
eurjchem-2196	54	8	mole	mole	NOUN
eurjchem-2196	54	9	)	)	PUNCT
eurjchem-2196	54	10	in	in	ADP
eurjchem-2196	54	11	acetone	acetone	NOUN
eurjchem-2196	54	12	(	(	PUNCT
eurjchem-2196	54	13	30	30	NUM
eurjchem-2196	54	14	ml	ml	NOUN
eurjchem-2196	54	15	)	)	PUNCT
eurjchem-2196	54	16	was	be	AUX
eurjchem-2196	54	17	added	add	VERB
eurjchem-2196	54	18	to	to	ADP
eurjchem-2196	54	19	the	the	DET
eurjchem-2196	54	20	mixture	mixture	NOUN
eurjchem-2196	54	21	for	for	ADP
eurjchem-2196	54	22	15	15	NUM
eurjchem-2196	54	23	min	min	NOUN
eurjchem-2196	54	24	at	at	ADP
eurjchem-2196	54	25	room	room	NOUN
eurjchem-2196	54	26	temperature	temperature	NOUN
eurjchem-2196	54	27	and	and	CCONJ
eurjchem-2196	54	28	stirred	stir	VERB
eurjchem-2196	54	29	for	for	SCONJ
eurjchem-2196	54	30	2	2	NUM
eurjchem-2196	54	31	h.	h.	PROPN
eurjchem-2196	54	32	hydrochloric	hydrochloric	PROPN
eurjchem-2196	54	33	acid	acid	PROPN
eurjchem-2196	54	34	(	(	PUNCT
eurjchem-2196	54	35	0.1	0.1	NUM
eurjchem-2196	54	36	n	n	CCONJ
eurjchem-2196	54	37	,	,	PUNCT
eurjchem-2196	54	38	300	300	NUM
eurjchem-2196	54	39	ml	ml	NOUN
eurjchem-2196	54	40	)	)	PUNCT
eurjchem-2196	54	41	was	be	AUX
eurjchem-2196	54	42	added	add	VERB
eurjchem-2196	54	43	and	and	CCONJ
eurjchem-2196	54	44	the	the	DET
eurjchem-2196	54	45	solution	solution	NOUN
eurjchem-2196	54	46	was	be	AUX
eurjchem-2196	54	47	filtered	filter	VERB
eurjchem-2196	54	48	.	.	PUNCT
eurjchem-2196	55	1	the	the	DET
eurjchem-2196	55	2	solid	solid	ADJ
eurjchem-2196	55	3	product	product	NOUN
eurjchem-2196	55	4	was	be	AUX
eurjchem-2196	55	5	washed	wash	VERB
eurjchem-2196	55	6	with	with	ADP
eurjchem-2196	55	7	water	water	NOUN
eurjchem-2196	55	8	and	and	CCONJ
eurjchem-2196	55	9	purified	purify	VERB
eurjchem-2196	55	10	by	by	ADP
eurjchem-2196	55	11	recrystallization	recrystallization	NOUN
eurjchem-2196	55	12	from	from	ADP
eurjchem-2196	55	13	an	an	DET
eurjchem-2196	55	14	ethanol	ethanol	NOUN
eurjchem-2196	55	15	:	:	PUNCT
eurjchem-2196	55	16	dichloro	dichloro	VERB
eurjchem-2196	55	17	methane	methane	NOUN
eurjchem-2196	55	18	mixture	mixture	NOUN
eurjchem-2196	55	19	(	(	PUNCT
eurjchem-2196	55	20	1:2	1:2	NUM
eurjchem-2196	55	21	,	,	PUNCT
eurjchem-2196	55	22	v	v	NOUN
eurjchem-2196	55	23	:	:	SYM
eurjchem-2196	55	24	v	v	NOUN
eurjchem-2196	55	25	)	)	PUNCT
eurjchem-2196	55	26	(	(	PUNCT
eurjchem-2196	55	27	scheme	scheme	NOUN
eurjchem-2196	55	28	1	1	NUM
eurjchem-2196	55	29	)	)	PUNCT
eurjchem-2196	55	30	.	.	PUNCT
eurjchem-2196	56	1	color	color	NOUN
eurjchem-2196	56	2	:	:	PUNCT
eurjchem-2196	56	3	white	white	ADJ
eurjchem-2196	56	4	.	.	PUNCT
eurjchem-2196	57	1	yield	yield	NOUN
eurjchem-2196	57	2	:	:	PUNCT
eurjchem-2196	57	3	93	93	NUM
eurjchem-2196	57	4	%	%	NOUN
eurjchem-2196	57	5	.	.	PUNCT
eurjchem-2196	58	1	m.p	m.p	PROPN
eurjchem-2196	58	2	.	.	PROPN
eurjchem-2196	58	3	:	:	PUNCT
eurjchem-2196	59	1	136	136	NUM
eurjchem-2196	59	2	-	-	SYM
eurjchem-2196	59	3	138	138	NUM
eurjchem-2196	59	4	°	°	PROPN
eurjchem-2196	59	5	c	c	NOUN
eurjchem-2196	59	6	.	.	PUNCT
eurjchem-2196	60	1	2.3	2.3	NUM
eurjchem-2196	60	2	.	.	PUNCT
eurjchem-2196	61	1	computational	computational	ADJ
eurjchem-2196	61	2	studies	study	NOUN
eurjchem-2196	61	3	the	the	DET
eurjchem-2196	61	4	density	density	NOUN
eurjchem-2196	61	5	functional	functional	ADJ
eurjchem-2196	61	6	theory	theory	NOUN
eurjchem-2196	61	7	calculations	calculation	NOUN
eurjchem-2196	61	8	for	for	ADP
eurjchem-2196	61	9	the	the	DET
eurjchem-2196	61	10	title	title	NOUN
eurjchem-2196	61	11	compound	compound	NOUN
eurjchem-2196	61	12	were	be	AUX
eurjchem-2196	61	13	performed	perform	VERB
eurjchem-2196	61	14	using	use	VERB
eurjchem-2196	61	15	gaussian	gaussian	ADJ
eurjchem-2196	61	16	16	16	NUM
eurjchem-2196	61	17	software	software	NOUN
eurjchem-2196	61	18	[	[	X
eurjchem-2196	61	19	41	41	NUM
eurjchem-2196	61	20	]	]	PUNCT
eurjchem-2196	61	21	.	.	PUNCT
eurjchem-2196	62	1	they	they	PRON
eurjchem-2196	62	2	were	be	AUX
eurjchem-2196	62	3	carried	carry	VERB
eurjchem-2196	62	4	out	out	ADP
eurjchem-2196	62	5	with	with	ADP
eurjchem-2196	62	6	becke	becke	NOUN
eurjchem-2196	62	7	three	three	NUM
eurjchem-2196	62	8	parameters	parameter	NOUN
eurjchem-2196	62	9	for	for	ADP
eurjchem-2196	62	10	the	the	DET
eurjchem-2196	62	11	exchange	exchange	NOUN
eurjchem-2196	62	12	with	with	ADP
eurjchem-2196	62	13	correlation	correlation	NOUN
eurjchem-2196	62	14	functional	functional	ADJ
eurjchem-2196	62	15	of	of	ADP
eurjchem-2196	62	16	lee	lee	PROPN
eurjchem-2196	62	17	-	-	PUNCT
eurjchem-2196	62	18	yang	yang	PROPN
eurjchem-2196	62	19	-	-	PUNCT
eurjchem-2196	62	20	parr	parr	PROPN
eurjchem-2196	62	21	(	(	PUNCT
eurjchem-2196	62	22	b3lyp	b3lyp	NUM
eurjchem-2196	62	23	)	)	PUNCT
eurjchem-2196	62	24	for	for	ADP
eurjchem-2196	62	25	6	6	NUM
eurjchem-2196	62	26	-	-	SYM
eurjchem-2196	62	27	311g(d	311g(d	NUM
eurjchem-2196	62	28	,	,	PUNCT
eurjchem-2196	62	29	p	p	NOUN
eurjchem-2196	62	30	)	)	PUNCT
eurjchem-2196	62	31	basis	basis	NOUN
eurjchem-2196	62	32	set	set	NOUN
eurjchem-2196	62	33	[	[	X
eurjchem-2196	62	34	42,43	42,43	X
eurjchem-2196	62	35	]	]	X
eurjchem-2196	62	36	.	.	PUNCT
eurjchem-2196	63	1	the	the	DET
eurjchem-2196	63	2	gauss	gauss	PROPN
eurjchem-2196	63	3	view	view	NOUN
eurjchem-2196	63	4	06	06	NUM
eurjchem-2196	63	5	program	program	NOUN
eurjchem-2196	63	6	[	[	X
eurjchem-2196	63	7	44	44	NUM
eurjchem-2196	63	8	]	]	PUNCT
eurjchem-2196	63	9	was	be	AUX
eurjchem-2196	63	10	used	use	VERB
eurjchem-2196	63	11	to	to	PART
eurjchem-2196	63	12	visualize	visualize	VERB
eurjchem-2196	63	13	the	the	DET
eurjchem-2196	63	14	calculated	calculated	ADJ
eurjchem-2196	63	15	parameters	parameter	NOUN
eurjchem-2196	63	16	.	.	PUNCT
eurjchem-2196	64	1	all	all	DET
eurjchem-2196	64	2	the	the	DET
eurjchem-2196	64	3	parameters	parameter	NOUN
eurjchem-2196	64	4	were	be	AUX
eurjchem-2196	64	5	allowed	allow	VERB
eurjchem-2196	64	6	to	to	PART
eurjchem-2196	64	7	relax	relax	VERB
eurjchem-2196	64	8	,	,	PUNCT
eurjchem-2196	64	9	and	and	CCONJ
eurjchem-2196	64	10	all	all	DET
eurjchem-2196	64	11	the	the	DET
eurjchem-2196	64	12	calculations	calculation	NOUN
eurjchem-2196	64	13	converged	converge	VERB
eurjchem-2196	64	14	to	to	ADP
eurjchem-2196	64	15	an	an	DET
eurjchem-2196	64	16	optimized	optimize	VERB
eurjchem-2196	64	17	geometry	geometry	NOUN
eurjchem-2196	64	18	.	.	PUNCT
eurjchem-2196	65	1	the	the	DET
eurjchem-2196	65	2	local	local	ADJ
eurjchem-2196	65	3	minima	minima	NOUN
eurjchem-2196	65	4	were	be	AUX
eurjchem-2196	65	5	confirmed	confirm	VERB
eurjchem-2196	65	6	by	by	ADP
eurjchem-2196	65	7	the	the	DET
eurjchem-2196	65	8	absence	absence	NOUN
eurjchem-2196	65	9	of	of	ADP
eurjchem-2196	65	10	an	an	DET
eurjchem-2196	65	11	imaginary	imaginary	ADJ
eurjchem-2196	65	12	mode	mode	NOUN
eurjchem-2196	65	13	in	in	ADP
eurjchem-2196	65	14	the	the	DET
eurjchem-2196	65	15	vibrational	vibrational	ADJ
eurjchem-2196	65	16	analysis	analysis	NOUN
eurjchem-2196	65	17	calculations	calculation	NOUN
eurjchem-2196	65	18	.	.	PUNCT
eurjchem-2196	66	1	hirshfeld	hirshfeld	PROPN
eurjchem-2196	66	2	surfaces	surface	NOUN
eurjchem-2196	67	1	[	[	X
eurjchem-2196	67	2	45,46	45,46	NOUN
eurjchem-2196	67	3	]	]	PUNCT
eurjchem-2196	67	4	was	be	AUX
eurjchem-2196	67	5	performed	perform	VERB
eurjchem-2196	67	6	with	with	ADP
eurjchem-2196	67	7	the	the	DET
eurjchem-2196	67	8	aid	aid	NOUN
eurjchem-2196	67	9	of	of	ADP
eurjchem-2196	67	10	crystalexplorer	crystalexplorer	NOUN
eurjchem-2196	67	11	17.5	17.5	NUM
eurjchem-2196	67	12	software	software	NOUN
eurjchem-2196	67	13	[	[	X
eurjchem-2196	67	14	47	47	NUM
eurjchem-2196	67	15	]	]	PUNCT
eurjchem-2196	67	16	to	to	PART
eurjchem-2196	67	17	verify	verify	VERB
eurjchem-2196	67	18	the	the	DET
eurjchem-2196	67	19	contributions	contribution	NOUN
eurjchem-2196	67	20	of	of	ADP
eurjchem-2196	67	21	different	different	ADJ
eurjchem-2196	67	22	intermolecular	intermolecular	ADJ
eurjchem-2196	67	23	interactions	interaction	NOUN
eurjchem-2196	67	24	.	.	PUNCT
eurjchem-2196	68	1	the	the	DET
eurjchem-2196	68	2	two	two	NUM
eurjchem-2196	68	3	-	-	PUNCT
eurjchem-2196	68	4	dimensional	dimensional	ADJ
eurjchem-2196	68	5	fingerprint	fingerprint	NOUN
eurjchem-2196	68	6	plots	plot	NOUN
eurjchem-2196	68	7	[	[	X
eurjchem-2196	68	8	48	48	NUM
eurjchem-2196	68	9	]	]	PUNCT
eurjchem-2196	68	10	were	be	AUX
eurjchem-2196	68	11	calculated	calculate	VERB
eurjchem-2196	68	12	using	use	VERB
eurjchem-2196	68	13	the	the	DET
eurjchem-2196	68	14	crystallographic	crystallographic	ADJ
eurjchem-2196	68	15	information	information	NOUN
eurjchem-2196	68	16	file	file	NOUN
eurjchem-2196	68	17	as	as	ADP
eurjchem-2196	68	18	input	input	NOUN
eurjchem-2196	68	19	for	for	ADP
eurjchem-2196	68	20	analysis	analysis	NOUN
eurjchem-2196	68	21	.	.	PUNCT
eurjchem-2196	69	1	electrostatic	electrostatic	ADJ
eurjchem-2196	69	2	potentials	potential	NOUN
eurjchem-2196	69	3	were	be	AUX
eurjchem-2196	69	4	calculated	calculate	VERB
eurjchem-2196	69	5	using	use	VERB
eurjchem-2196	69	6	gaussian	gaussian	NOUN
eurjchem-2196	69	7	16	16	NUM
eurjchem-2196	69	8	and	and	CCONJ
eurjchem-2196	69	9	tonto	tonto	PROPN
eurjchem-2196	70	1	[	[	X
eurjchem-2196	70	2	41,49,50	41,49,50	X
eurjchem-2196	70	3	]	]	X
eurjchem-2196	70	4	and	and	CCONJ
eurjchem-2196	70	5	mapped	map	VERB
eurjchem-2196	70	6	on	on	ADP
eurjchem-2196	70	7	hirshfeld	hirshfeld	ADJ
eurjchem-2196	70	8	surfaces	surface	NOUN
eurjchem-2196	70	9	using	use	VERB
eurjchem-2196	70	10	the	the	DET
eurjchem-2196	70	11	6	6	NUM
eurjchem-2196	70	12	-	-	SYM
eurjchem-2196	70	13	311g(d	311g(d	NUM
eurjchem-2196	70	14	,	,	PUNCT
eurjchem-2196	70	15	p	p	NOUN
eurjchem-2196	70	16	)	)	PUNCT
eurjchem-2196	70	17	basis	basis	NOUN
eurjchem-2196	70	18	set	set	NOUN
eurjchem-2196	70	19	at	at	ADP
eurjchem-2196	70	20	the	the	DET
eurjchem-2196	70	21	b3lyp	b3lyp	NOUN
eurjchem-2196	70	22	level	level	NOUN
eurjchem-2196	70	23	of	of	ADP
eurjchem-2196	70	24	theory	theory	NOUN
eurjchem-2196	70	25	.	.	PUNCT
eurjchem-2196	71	1	on	on	ADP
eurjchem-2196	71	2	the	the	DET
eurjchem-2196	71	3	surfaces	surface	NOUN
eurjchem-2196	71	4	,	,	PUNCT
eurjchem-2196	71	5	donors	donor	NOUN
eurjchem-2196	71	6	with	with	ADP
eurjchem-2196	71	7	positive	positive	ADJ
eurjchem-2196	71	8	potential	potential	NOUN
eurjchem-2196	71	9	(	(	PUNCT
eurjchem-2196	71	10	blue	blue	ADJ
eurjchem-2196	71	11	regions	region	NOUN
eurjchem-2196	71	12	)	)	PUNCT
eurjchem-2196	71	13	and	and	CCONJ
eurjchem-2196	71	14	acceptors	acceptor	NOUN
eurjchem-2196	71	15	with	with	ADP
eurjchem-2196	71	16	negative	negative	ADJ
eurjchem-2196	71	17	potential	potential	ADJ
eurjchem-2196	71	18	(	(	PUNCT
eurjchem-2196	71	19	red	red	ADJ
eurjchem-2196	71	20	regions	region	NOUN
eurjchem-2196	71	21	)	)	PUNCT
eurjchem-2196	71	22	are	be	AUX
eurjchem-2196	71	23	represented	represent	VERB
eurjchem-2196	71	24	.	.	PUNCT
eurjchem-2196	72	1	the	the	DET
eurjchem-2196	72	2	proposed	propose	VERB
eurjchem-2196	72	3	molecular	molecular	ADJ
eurjchem-2196	72	4	structure	structure	NOUN
eurjchem-2196	72	5	’s	’s	ADV
eurjchem-2196	72	6	with	with	ADP
eurjchem-2196	72	7	hirshfeld	hirshfeld	ADJ
eurjchem-2196	72	8	surfaces	surface	NOUN
eurjchem-2196	72	9	(	(	PUNCT
eurjchem-2196	72	10	shape	shape	NOUN
eurjchem-2196	72	11	index	index	NOUN
eurjchem-2196	72	12	and	and	CCONJ
eurjchem-2196	72	13	curvedness	curvedness	NOUN
eurjchem-2196	72	14	)	)	PUNCT
eurjchem-2196	72	15	,	,	PUNCT
eurjchem-2196	72	16	map	map	VERB
eurjchem-2196	72	17	over	over	ADP
eurjchem-2196	72	18	the	the	DET
eurjchem-2196	72	19	shape	shape	NOUN
eurjchem-2196	72	20	index	index	NOUN
eurjchem-2196	72	21	region	region	NOUN
eurjchem-2196	72	22	−1.000	−1.000	VERB
eurjchem-2196	72	23	to	to	ADP
eurjchem-2196	72	24	1.000	1.000	NUM
eurjchem-2196	72	25	å	å	NOUN
eurjchem-2196	72	26	and	and	CCONJ
eurjchem-2196	72	27	the	the	DET
eurjchem-2196	72	28	curvedness	curvedness	ADJ
eurjchem-2196	72	29	region	region	NOUN
eurjchem-2196	72	30	−4.000	−4.000	PROPN
eurjchem-2196	72	31	to	to	PART
eurjchem-2196	72	32	+0.400	+0.400	VERB
eurjchem-2196	72	33	å	å	PROPN
eurjchem-2196	72	34	.	.	PUNCT
eurjchem-2196	73	1	for	for	ADP
eurjchem-2196	73	2	the	the	DET
eurjchem-2196	73	3	generation	generation	NOUN
eurjchem-2196	73	4	of	of	ADP
eurjchem-2196	73	5	fingerprint	fingerprint	NOUN
eurjchem-2196	73	6	plots	plot	NOUN
eurjchem-2196	73	7	,	,	PUNCT
eurjchem-2196	73	8	the	the	DET
eurjchem-2196	73	9	bond	bond	NOUN
eurjchem-2196	73	10	lengths	length	NOUN
eurjchem-2196	73	11	of	of	ADP
eurjchem-2196	73	12	hydrogen	hydrogen	NOUN
eurjchem-2196	73	13	atoms	atom	NOUN
eurjchem-2196	73	14	involved	involve	VERB
eurjchem-2196	73	15	in	in	ADP
eurjchem-2196	73	16	the	the	DET
eurjchem-2196	73	17	interactions	interaction	NOUN
eurjchem-2196	73	18	were	be	AUX
eurjchem-2196	73	19	normalized	normalize	VERB
eurjchem-2196	73	20	to	to	ADP
eurjchem-2196	73	21	standard	standard	ADJ
eurjchem-2196	73	22	neutron	neutron	NOUN
eurjchem-2196	73	23	values	value	NOUN
eurjchem-2196	73	24	[	[	X
eurjchem-2196	73	25	51	51	NUM
eurjchem-2196	73	26	]	]	PUNCT
eurjchem-2196	73	27	.	.	PUNCT
eurjchem-2196	74	1	the	the	DET
eurjchem-2196	74	2	2d	2d	PROPN
eurjchem-2196	74	3	fingerprint	fingerprint	NOUN
eurjchem-2196	74	4	plots	plot	NOUN
eurjchem-2196	74	5	were	be	AUX
eurjchem-2196	74	6	displayed	display	VERB
eurjchem-2196	74	7	using	use	VERB
eurjchem-2196	74	8	the	the	DET
eurjchem-2196	74	9	standard	standard	ADJ
eurjchem-2196	74	10	view	view	NOUN
eurjchem-2196	74	11	with	with	ADP
eurjchem-2196	74	12	the	the	DET
eurjchem-2196	74	13	de	de	X
eurjchem-2196	74	14	and	and	CCONJ
eurjchem-2196	74	15	di	di	NOUN
eurjchem-2196	74	16	distance	distance	NOUN
eurjchem-2196	74	17	scales	scale	NOUN
eurjchem-2196	74	18	displayed	display	VERB
eurjchem-2196	74	19	on	on	ADP
eurjchem-2196	74	20	the	the	DET
eurjchem-2196	74	21	graph	graph	NOUN
eurjchem-2196	74	22	axes	axis	NOUN
eurjchem-2196	74	23	.	.	PUNCT
eurjchem-2196	75	1	the	the	DET
eurjchem-2196	75	2	energies	energy	NOUN
eurjchem-2196	75	3	of	of	ADP
eurjchem-2196	75	4	intermolecular	intermolecular	ADJ
eurjchem-2196	75	5	interaction	interaction	NOUN
eurjchem-2196	75	6	of	of	ADP
eurjchem-2196	75	7	the	the	DET
eurjchem-2196	75	8	molecular	molecular	ADJ
eurjchem-2196	75	9	pairs	pair	NOUN
eurjchem-2196	75	10	in	in	ADP
eurjchem-2196	75	11	the	the	DET
eurjchem-2196	75	12	crystal	crystal	NOUN
eurjchem-2196	75	13	packing	packing	NOUN
eurjchem-2196	75	14	were	be	AUX
eurjchem-2196	75	15	calculated	calculate	VERB
eurjchem-2196	75	16	using	use	VERB
eurjchem-2196	75	17	3d	3d	NUM
eurjchem-2196	75	18	energy	energy	NOUN
eurjchem-2196	75	19	framework	framework	NOUN
eurjchem-2196	75	20	analysis	analysis	NOUN
eurjchem-2196	75	21	,	,	PUNCT
eurjchem-2196	75	22	at	at	ADP
eurjchem-2196	75	23	b3lyp/6	b3lyp/6	PROPN
eurjchem-2196	75	24	-	-	NOUN
eurjchem-2196	75	25	311g(d	311g(d	NUM
eurjchem-2196	75	26	,	,	PUNCT
eurjchem-2196	75	27	p	p	NOUN
eurjchem-2196	75	28	)	)	PUNCT
eurjchem-2196	75	29	level	level	NOUN
eurjchem-2196	75	30	of	of	ADP
eurjchem-2196	75	31	theory	theory	NOUN
eurjchem-2196	75	32	,	,	PUNCT
eurjchem-2196	75	33	in	in	ADP
eurjchem-2196	75	34	a	a	DET
eurjchem-2196	75	35	cluster	cluster	NOUN
eurjchem-2196	75	36	of	of	ADP
eurjchem-2196	75	37	radius	radius	NOUN
eurjchem-2196	75	38	3.8	3.8	NUM
eurjchem-2196	75	39	å	å	NOUN
eurjchem-2196	75	40	around	around	ADP
eurjchem-2196	75	41	the	the	DET
eurjchem-2196	75	42	molecule	molecule	NOUN
eurjchem-2196	75	43	.	.	PUNCT
eurjchem-2196	76	1	the	the	DET
eurjchem-2196	76	2	neighboring	neighbor	VERB
eurjchem-2196	76	3	molecules	molecule	NOUN
eurjchem-2196	76	4	in	in	ADP
eurjchem-2196	76	5	the	the	DET
eurjchem-2196	76	6	shell	shell	NOUN
eurjchem-2196	76	7	around	around	ADP
eurjchem-2196	76	8	the	the	DET
eurjchem-2196	76	9	central	central	ADJ
eurjchem-2196	76	10	molecule	molecule	NOUN
eurjchem-2196	76	11	were	be	AUX
eurjchem-2196	76	12	generated	generate	VERB
eurjchem-2196	76	13	by	by	ADP
eurjchem-2196	76	14	applying	apply	VERB
eurjchem-2196	76	15	crystallography	crystallography	NOUN
eurjchem-2196	76	16	symmetry	symmetry	NOUN
eurjchem-2196	76	17	operations	operation	NOUN
eurjchem-2196	76	18	.	.	PUNCT
eurjchem-2196	77	1	3	3	X
eurjchem-2196	77	2	.	.	X
eurjchem-2196	77	3	result	result	NOUN
eurjchem-2196	77	4	and	and	CCONJ
eurjchem-2196	77	5	discussion	discussion	NOUN
eurjchem-2196	77	6	3.1	3.1	NUM
eurjchem-2196	77	7	.	.	PUNCT
eurjchem-2196	78	1	crystal	crystal	NOUN
eurjchem-2196	78	2	structure	structure	NOUN
eurjchem-2196	78	3	analysis	analysis	NOUN
eurjchem-2196	78	4	the	the	DET
eurjchem-2196	78	5	title	title	NOUN
eurjchem-2196	78	6	compound	compound	NOUN
eurjchem-2196	78	7	was	be	AUX
eurjchem-2196	78	8	prepared	prepare	VERB
eurjchem-2196	78	9	and	and	CCONJ
eurjchem-2196	78	10	characterized	characterize	VERB
eurjchem-2196	78	11	previously	previously	ADV
eurjchem-2196	78	12	[	[	X
eurjchem-2196	78	13	27	27	NUM
eurjchem-2196	78	14	]	]	PUNCT
eurjchem-2196	78	15	.	.	PUNCT
eurjchem-2196	79	1	to	to	ADP
eurjchem-2196	79	2	the	the	DET
eurjchem-2196	79	3	best	good	ADJ
eurjchem-2196	79	4	of	of	ADP
eurjchem-2196	79	5	our	our	PRON
eurjchem-2196	79	6	knowledge	knowledge	NOUN
eurjchem-2196	79	7	,	,	PUNCT
eurjchem-2196	79	8	no	no	DET
eurjchem-2196	79	9	reports	report	NOUN
eurjchem-2196	79	10	on	on	ADP
eurjchem-2196	79	11	the	the	DET
eurjchem-2196	79	12	single	single	ADJ
eurjchem-2196	79	13	crystal	crystal	NOUN
eurjchem-2196	79	14	of	of	ADP
eurjchem-2196	79	15	this	this	DET
eurjchem-2196	79	16	molecule	molecule	NOUN
eurjchem-2196	79	17	exist	exist	VERB
eurjchem-2196	79	18	except	except	SCONJ
eurjchem-2196	79	19	reference	reference	NOUN
eurjchem-2196	79	20	[	[	X
eurjchem-2196	79	21	28	28	NUM
eurjchem-2196	79	22	]	]	PUNCT
eurjchem-2196	79	23	.	.	PUNCT
eurjchem-2196	80	1	as	as	ADP
eurjchem-2196	80	2	a	a	DET
eurjchem-2196	80	3	follow	follow	NOUN
eurjchem-2196	80	4	-	-	PUNCT
eurjchem-2196	80	5	up	up	NOUN
eurjchem-2196	80	6	to	to	ADP
eurjchem-2196	80	7	the	the	DET
eurjchem-2196	80	8	synthesis	synthesis	NOUN
eurjchem-2196	80	9	and	and	CCONJ
eurjchem-2196	80	10	characterization	characterization	NOUN
eurjchem-2196	80	11	,	,	PUNCT
eurjchem-2196	80	12	a	a	DET
eurjchem-2196	80	13	recrystallizetion	recrystallizetion	NOUN
eurjchem-2196	80	14	of	of	ADP
eurjchem-2196	80	15	an	an	DET
eurjchem-2196	80	16	authenticated	authenticate	VERB
eurjchem-2196	80	17	this	this	DET
eurjchem-2196	80	18	molecule	molecule	NOUN
eurjchem-2196	80	19	with	with	ADP
eurjchem-2196	80	20	dichloromethane	dichloromethane	NOUN
eurjchem-2196	80	21	and	and	CCONJ
eurjchem-2196	80	22	ethanol	ethanol	NOUN
eurjchem-2196	80	23	was	be	AUX
eurjchem-2196	80	24	undertaken	undertake	VERB
eurjchem-2196	80	25	.	.	PUNCT
eurjchem-2196	81	1	a	a	DET
eurjchem-2196	81	2	suitable	suitable	ADJ
eurjchem-2196	81	3	single	single	ADJ
eurjchem-2196	81	4	crystal	crystal	NOUN
eurjchem-2196	81	5	of	of	ADP
eurjchem-2196	81	6	the	the	DET
eurjchem-2196	81	7	title	title	NOUN
eurjchem-2196	81	8	compound	compound	NOUN
eurjchem-2196	81	9	for	for	ADP
eurjchem-2196	81	10	the	the	DET
eurjchem-2196	81	11	x	x	ADJ
eurjchem-2196	81	12	-	-	NOUN
eurjchem-2196	81	13	ray	ray	NOUN
eurjchem-2196	81	14	diffraction	diffraction	NOUN
eurjchem-2196	81	15	study	study	NOUN
eurjchem-2196	81	16	was	be	AUX
eurjchem-2196	81	17	obtained	obtain	VERB
eurjchem-2196	81	18	by	by	ADP
eurjchem-2196	81	19	slow	slow	ADJ
eurjchem-2196	81	20	evaporation	evaporation	NOUN
eurjchem-2196	81	21	of	of	ADP
eurjchem-2196	81	22	a	a	DET
eurjchem-2196	81	23	dichloromethane	dichloromethane	NOUN
eurjchem-2196	81	24	:	:	PUNCT
eurjchem-2196	81	25	ethanole	ethanole	ADJ
eurjchem-2196	81	26	(	(	PUNCT
eurjchem-2196	81	27	1:2	1:2	NUM
eurjchem-2196	81	28	,	,	PUNCT
eurjchem-2196	81	29	v	v	NOUN
eurjchem-2196	81	30	:	:	PUNCT
eurjchem-2196	81	31	v	v	NOUN
eurjchem-2196	81	32	)	)	PUNCT
eurjchem-2196	81	33	solution	solution	NOUN
eurjchem-2196	81	34	[	[	X
eurjchem-2196	81	35	27,28	27,28	X
eurjchem-2196	81	36	]	]	X
eurjchem-2196	81	37	.	.	PUNCT
eurjchem-2196	82	1	the	the	DET
eurjchem-2196	82	2	re	re	ADJ
eurjchem-2196	82	3	-	-	ADJ
eurjchem-2196	82	4	refined	refined	ADJ
eurjchem-2196	82	5	molecular	molecular	ADJ
eurjchem-2196	82	6	structure	structure	NOUN
eurjchem-2196	82	7	of	of	ADP
eurjchem-2196	82	8	the	the	DET
eurjchem-2196	82	9	compound	compound	NOUN
eurjchem-2196	82	10	in	in	ADP
eurjchem-2196	82	11	crystal	crystal	NOUN
eurjchem-2196	82	12	form	form	NOUN
eurjchem-2196	82	13	with	with	ADP
eurjchem-2196	82	14	the	the	DET
eurjchem-2196	82	15	corresponding	corresponding	ADJ
eurjchem-2196	82	16	atom	atom	NOUN
eurjchem-2196	82	17	numbering	numbering	NOUN
eurjchem-2196	82	18	scheme	scheme	NOUN
eurjchem-2196	82	19	is	be	AUX
eurjchem-2196	82	20	shown	show	VERB
eurjchem-2196	82	21	in	in	ADP
eurjchem-2196	82	22	figure	figure	NOUN
eurjchem-2196	82	23	1	1	NUM
eurjchem-2196	82	24	and	and	CCONJ
eurjchem-2196	82	25	the	the	DET
eurjchem-2196	82	26	crystal	crystal	NOUN
eurjchem-2196	82	27	packing	packing	NOUN
eurjchem-2196	82	28	of	of	ADP
eurjchem-2196	82	29	the	the	DET
eurjchem-2196	82	30	compound	compound	NOUN
eurjchem-2196	82	31	is	be	AUX
eurjchem-2196	82	32	viewed	view	VERB
eurjchem-2196	82	33	along	along	ADP
eurjchem-2196	82	34	the	the	DET
eurjchem-2196	82	35	crystal	crystal	NOUN
eurjchem-2196	82	36	a	a	DET
eurjchem-2196	82	37	-	-	PUNCT
eurjchem-2196	82	38	axis	axis	NOUN
eurjchem-2196	82	39	and	and	CCONJ
eurjchem-2196	82	40	c	c	NOUN
eurjchem-2196	82	41	-	-	PUNCT
eurjchem-2196	82	42	axis	axis	NOUN
eurjchem-2196	82	43	in	in	ADP
eurjchem-2196	82	44	figure	figure	NOUN
eurjchem-2196	82	45	2	2	NUM
eurjchem-2196	82	46	.	.	PUNCT
eurjchem-2196	82	47	ozer	ozer	NOUN
eurjchem-2196	82	48	et	et	PROPN
eurjchem-2196	82	49	al	al	PROPN
eurjchem-2196	82	50	.	.	PUNCT
eurjchem-2196	82	51	/	/	SYM
eurjchem-2196	82	52	european	european	PROPN
eurjchem-2196	82	53	journal	journal	PROPN
eurjchem-2196	82	54	of	of	ADP
eurjchem-2196	82	55	chemistry	chemistry	NOUN
eurjchem-2196	82	56	12	12	NUM
eurjchem-2196	82	57	(	(	PUNCT
eurjchem-2196	82	58	4	4	NUM
eurjchem-2196	82	59	)	)	PUNCT
eurjchem-2196	82	60	(	(	PUNCT
eurjchem-2196	82	61	2021	2021	NUM
eurjchem-2196	82	62	)	)	PUNCT
eurjchem-2196	82	63	439	439	NUM
eurjchem-2196	82	64	-	-	SYM
eurjchem-2196	82	65	449	449	NUM
eurjchem-2196	82	66	441	441	NUM
eurjchem-2196	82	67	2021	2021	NUM
eurjchem-2196	82	68	–	–	PUNCT
eurjchem-2196	82	69	european	european	ADJ
eurjchem-2196	82	70	journal	journal	NOUN
eurjchem-2196	82	71	of	of	ADP
eurjchem-2196	82	72	chemistry	chemistry	NOUN
eurjchem-2196	82	73	–	–	PUNCT
eurjchem-2196	82	74	cc	cc	NOUN
eurjchem-2196	82	75	by	by	ADP
eurjchem-2196	82	76	nc	nc	PROPN
eurjchem-2196	82	77	–	–	PUNCT
eurjchem-2196	82	78	doi	doi	PROPN
eurjchem-2196	82	79	:	:	PUNCT
eurjchem-2196	82	80	10.5155	10.5155	NUM
eurjchem-2196	82	81	/	/	SYM
eurjchem-2196	82	82	eurjchem.12.4.439	eurjchem.12.4.439	NOUN
eurjchem-2196	82	83	-	-	PUNCT
eurjchem-2196	82	84	449.2196	449.2196	NUM
eurjchem-2196	82	85	table	table	NOUN
eurjchem-2196	82	86	1	1	NUM
eurjchem-2196	82	87	.	.	PUNCT
eurjchem-2196	82	88	crystallographic	crystallographic	ADJ
eurjchem-2196	82	89	data	datum	NOUN
eurjchem-2196	82	90	and	and	CCONJ
eurjchem-2196	82	91	refinement	refinement	NOUN
eurjchem-2196	82	92	parameters	parameter	NOUN
eurjchem-2196	82	93	for	for	ADP
eurjchem-2196	82	94	the	the	DET
eurjchem-2196	82	95	title	title	NOUN
eurjchem-2196	82	96	compound	compound	NOUN
eurjchem-2196	82	97	.	.	PUNCT
eurjchem-2196	83	1	parameters	parameter	NOUN
eurjchem-2196	83	2	h2l	h2l	VERB
eurjchem-2196	83	3	empirical	empirical	ADJ
eurjchem-2196	83	4	formula	formula	NOUN
eurjchem-2196	83	5	c14h17cln2os	c14h17cln2o	NOUN
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eurjchem-2196	83	25	(	(	PUNCT
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eurjchem-2196	83	29	)	)	PUNCT
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eurjchem-2196	83	32	(	(	PUNCT
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eurjchem-2196	83	36	)	)	PUNCT
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eurjchem-2196	83	38	,	,	PUNCT
eurjchem-2196	83	39	(	(	PUNCT
eurjchem-2196	83	40	å	å	NOUN
eurjchem-2196	83	41	)	)	PUNCT
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eurjchem-2196	83	43	)	)	PUNCT
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eurjchem-2196	84	2	,	,	PUNCT
eurjchem-2196	84	3	(	(	PUNCT
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eurjchem-2196	84	5	)	)	PUNCT
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eurjchem-2196	84	7	)	)	PUNCT
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eurjchem-2196	84	9	(	(	PUNCT
eurjchem-2196	84	10	å3	å3	PROPN
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eurjchem-2196	84	13	)	)	PUNCT
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eurjchem-2196	84	15	4	4	NUM
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eurjchem-2196	84	17	(	(	PUNCT
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eurjchem-2196	84	21	)	)	PUNCT
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eurjchem-2196	84	23	μ	μ	NOUN
eurjchem-2196	84	24	(	(	PUNCT
eurjchem-2196	84	25	mm-1	mm-1	NOUN
eurjchem-2196	84	26	)	)	PUNCT
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eurjchem-2196	84	28	f	f	PROPN
eurjchem-2196	84	29	(	(	PUNCT
eurjchem-2196	84	30	000	000	NUM
eurjchem-2196	84	31	)	)	PUNCT
eurjchem-2196	84	32	624.0	624.0	NUM
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eurjchem-2196	84	35	(	(	PUNCT
eurjchem-2196	84	36	mm3	mm3	PROPN
eurjchem-2196	84	37	)	)	PUNCT
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eurjchem-2196	84	45	(	(	PUNCT
eurjchem-2196	84	46	λ	λ	X
eurjchem-2196	84	47	=	=	SYM
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eurjchem-2196	84	49	)	)	PUNCT
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eurjchem-2196	84	54	collection	collection	NOUN
eurjchem-2196	84	55	(	(	PUNCT
eurjchem-2196	84	56	°	°	PROPN
eurjchem-2196	84	57	)	)	PUNCT
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eurjchem-2196	84	62	ranges	range	VERB
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eurjchem-2196	84	65	h	h	NOUN
eurjchem-2196	84	66	≤	≤	NUM
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eurjchem-2196	84	68	,	,	PUNCT
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eurjchem-2196	85	1	k	k	X
eurjchem-2196	85	2	≤	≤	NUM
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eurjchem-2196	85	4	,	,	PUNCT
eurjchem-2196	85	5	-15	-15	SYM
eurjchem-2196	85	6	≤	≤	NUM
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eurjchem-2196	85	8	≤	≤	NUM
eurjchem-2196	85	9	17	17	NUM
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eurjchem-2196	85	11	collected	collect	VERB
eurjchem-2196	85	12	9840	9840	NUM
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eurjchem-2196	85	14	reflections	reflection	NOUN
eurjchem-2196	85	15	2519	2519	NUM
eurjchem-2196	85	16	[	[	X
eurjchem-2196	85	17	rint	rint	NOUN
eurjchem-2196	85	18	=	=	SYM
eurjchem-2196	85	19	0.0406	0.0406	NUM
eurjchem-2196	85	20	,	,	PUNCT
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eurjchem-2196	85	22	=	=	SYM
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eurjchem-2196	85	30	2519/0/240	2519/0/240	NUM
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eurjchem-2196	85	32	-	-	PUNCT
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eurjchem-2196	85	34	-	-	PUNCT
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eurjchem-2196	85	36	on	on	ADP
eurjchem-2196	85	37	f2	f2	PROPN
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eurjchem-2196	85	41	indexes	index	NOUN
eurjchem-2196	86	1	[	[	X
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eurjchem-2196	86	3	(	(	PUNCT
eurjchem-2196	86	4	i	i	NOUN
eurjchem-2196	86	5	)	)	PUNCT
eurjchem-2196	86	6	]	]	PUNCT
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eurjchem-2196	86	8	=	=	SYM
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eurjchem-2196	86	10	,	,	PUNCT
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eurjchem-2196	86	12	=	=	PUNCT
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eurjchem-2196	86	15	r	r	NOUN
eurjchem-2196	86	16	indexes	index	NOUN
eurjchem-2196	86	17	[	[	X
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eurjchem-2196	86	19	data	datum	NOUN
eurjchem-2196	86	20	]	]	PUNCT
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eurjchem-2196	86	22	=	=	SYM
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eurjchem-2196	86	26	=	=	PROPN
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eurjchem-2196	86	30	.	.	PUNCT
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eurjchem-2196	86	34	(	(	PUNCT
eurjchem-2196	86	35	e	e	NOUN
eurjchem-2196	86	36	å-3	å-3	NUM
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eurjchem-2196	86	41	.	.	PUNCT
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eurjchem-2196	87	11	.	.	PUNCT
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eurjchem-2196	88	4	(	(	PUNCT
eurjchem-2196	88	5	å	å	NOUN
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eurjchem-2196	88	9	length	length	NOUN
eurjchem-2196	88	10	(	(	PUNCT
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eurjchem-2196	88	20	(	(	PUNCT
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eurjchem-2196	88	22	)	)	PUNCT
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eurjchem-2196	88	24	(	(	PUNCT
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eurjchem-2196	88	30	(	(	PUNCT
eurjchem-2196	88	31	dft	dft	NOUN
eurjchem-2196	88	32	)	)	PUNCT
eurjchem-2196	88	33	o1	o1	PROPN
eurjchem-2196	88	34	c8	c8	PROPN
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eurjchem-2196	88	36	)	)	PUNCT
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eurjchem-2196	88	39	c4	c4	PROPN
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eurjchem-2196	88	41	)	)	PUNCT
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eurjchem-2196	88	44	c6	c6	PROPN
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eurjchem-2196	88	49	c5	c5	PROPN
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eurjchem-2196	88	79	c10	c10	VERB
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eurjchem-2196	88	83	n2	n2	ADJ
eurjchem-2196	88	84	c1	c1	NOUN
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eurjchem-2196	88	86	)	)	PUNCT
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eurjchem-2196	88	89	c14	c14	PROPN
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eurjchem-2196	88	93	n2	n2	NOUN
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eurjchem-2196	88	109	c12	c12	PROPN
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eurjchem-2196	91	11	.	.	PUNCT
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eurjchem-2196	92	5	(	(	PUNCT
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eurjchem-2196	92	22	(	(	PUNCT
eurjchem-2196	92	23	dft	dft	NOUN
eurjchem-2196	92	24	)	)	PUNCT
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eurjchem-2196	92	32	(	(	PUNCT
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eurjchem-2196	92	34	)	)	PUNCT
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eurjchem-2196	93	4	s1	s1	PROPN
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eurjchem-2196	93	9	n2	n2	PROPN
eurjchem-2196	93	10	c1	c1	PROPN
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eurjchem-2196	93	14	n2	n2	PROPN
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eurjchem-2196	93	16	n1	n1	PROPN
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eurjchem-2196	93	18	)	)	PUNCT
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eurjchem-2196	93	21	c1	c1	PROPN
eurjchem-2196	93	22	n2	n2	PROPN
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eurjchem-2196	93	24	)	)	PUNCT
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eurjchem-2196	93	28	n1	n1	PROPN
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eurjchem-2196	93	30	)	)	PUNCT
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eurjchem-2196	93	32	c2	c2	PROPN
eurjchem-2196	93	33	c1	c1	PROPN
eurjchem-2196	93	34	c6	c6	PROPN
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eurjchem-2196	93	36	)	)	PUNCT
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eurjchem-2196	93	40	c9	c9	PROPN
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eurjchem-2196	93	42	)	)	PUNCT
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eurjchem-2196	93	46	n2	n2	PROPN
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eurjchem-2196	93	54	)	)	PUNCT
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eurjchem-2196	93	58	c1	c1	PROPN
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eurjchem-2196	94	4	c2	c2	PROPN
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eurjchem-2196	94	21	c9	c9	PROPN
eurjchem-2196	94	22	c14	c14	PROPN
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eurjchem-2196	94	24	)	)	PUNCT
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eurjchem-2196	94	26	c6	c6	PROPN
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eurjchem-2196	94	28	c4	c4	PROPN
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eurjchem-2196	94	30	)	)	PUNCT
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eurjchem-2196	94	32	c9	c9	PROPN
eurjchem-2196	94	33	c10	c10	PROPN
eurjchem-2196	94	34	c11	c11	PROPN
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eurjchem-2196	94	38	c1	c1	PROPN
eurjchem-2196	94	39	c6	c6	PROPN
eurjchem-2196	94	40	cl1	cl1	PROPN
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eurjchem-2196	94	42	)	)	PUNCT
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eurjchem-2196	94	45	c11	c11	NOUN
eurjchem-2196	94	46	c10	c10	VERB
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eurjchem-2196	94	48	)	)	PUNCT
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eurjchem-2196	95	2	c5	c5	PROPN
eurjchem-2196	95	3	c6	c6	PROPN
eurjchem-2196	95	4	cl1	cl1	PROPN
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eurjchem-2196	95	6	)	)	PUNCT
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eurjchem-2196	96	3	c12	c12	PROPN
eurjchem-2196	96	4	c13	c13	PROPN
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eurjchem-2196	96	6	)	)	PUNCT
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eurjchem-2196	96	8	c5	c5	PROPN
eurjchem-2196	96	9	c6	c6	PROPN
eurjchem-2196	96	10	c1	c1	PROPN
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eurjchem-2196	96	12	)	)	PUNCT
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eurjchem-2196	97	2	c12	c12	PROPN
eurjchem-2196	97	3	c13	c13	PROPN
eurjchem-2196	97	4	c14	c14	PROPN
eurjchem-2196	97	5	110.9(2	110.9(2	NUM
eurjchem-2196	97	6	)	)	PUNCT
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eurjchem-2196	97	8	n1	n1	NOUN
eurjchem-2196	97	9	c7	c7	PROPN
eurjchem-2196	97	10	s1	s1	PROPN
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eurjchem-2196	97	12	)	)	PUNCT
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eurjchem-2196	97	14	c13	c13	PROPN
eurjchem-2196	97	15	c14	c14	PROPN
eurjchem-2196	97	16	c9	c9	PROPN
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eurjchem-2196	97	18	)	)	PUNCT
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eurjchem-2196	98	5	new	new	ADJ
eurjchem-2196	98	6	refinement	refinement	NOUN
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eurjchem-2196	98	12	1	1	NUM
eurjchem-2196	98	13	,	,	PUNCT
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eurjchem-2196	98	18	and	and	CCONJ
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eurjchem-2196	98	20	parameters	parameter	NOUN
eurjchem-2196	98	21	are	be	AUX
eurjchem-2196	98	22	tabulated	tabulate	VERB
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eurjchem-2196	98	24	tables	table	NOUN
eurjchem-2196	98	25	2	2	NUM
eurjchem-2196	98	26	and	and	CCONJ
eurjchem-2196	98	27	3	3	NUM
eurjchem-2196	98	28	.	.	PUNCT
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eurjchem-2196	99	2	the	the	DET
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eurjchem-2196	99	6	the	the	DET
eurjchem-2196	99	7	title	title	NOUN
eurjchem-2196	99	8	compound	compound	NOUN
eurjchem-2196	99	9	,	,	PUNCT
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eurjchem-2196	99	11	bond	bond	NOUN
eurjchem-2196	99	12	lengths	length	NOUN
eurjchem-2196	99	13	of	of	ADP
eurjchem-2196	99	14	carbonyl	carbonyl	NOUN
eurjchem-2196	99	15	(	(	PUNCT
eurjchem-2196	99	16	c8	c8	NOUN
eurjchem-2196	99	17	-	-	PUNCT
eurjchem-2196	99	18	o1	o1	NOUN
eurjchem-2196	99	19	)	)	PUNCT
eurjchem-2196	99	20	and	and	CCONJ
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eurjchem-2196	99	22	are	be	AUX
eurjchem-2196	99	23	1.227(3	1.227(3	NUM
eurjchem-2196	99	24	)	)	PUNCT
eurjchem-2196	99	25	and	and	CCONJ
eurjchem-2196	99	26	1.669(2	1.669(2	NUM
eurjchem-2196	99	27	)	)	PUNCT
eurjchem-2196	99	28	å	å	NOUN
eurjchem-2196	99	29	,	,	PUNCT
eurjchem-2196	99	30	which	which	PRON
eurjchem-2196	99	31	are	be	AUX
eurjchem-2196	99	32	found	find	VERB
eurjchem-2196	99	33	in	in	ADP
eurjchem-2196	99	34	the	the	DET
eurjchem-2196	99	35	range	range	NOUN
eurjchem-2196	99	36	of	of	ADP
eurjchem-2196	99	37	typical	typical	ADJ
eurjchem-2196	99	38	double	double	ADJ
eurjchem-2196	99	39	bonds	bond	NOUN
eurjchem-2196	99	40	for	for	ADP
eurjchem-2196	99	41	the	the	DET
eurjchem-2196	99	42	c	c	PROPN
eurjchem-2196	99	43	=	=	NOUN
eurjchem-2196	99	44	o	o	NOUN
eurjchem-2196	99	45	and	and	CCONJ
eurjchem-2196	99	46	c	c	NOUN
eurjchem-2196	99	47	=	=	NOUN
eurjchem-2196	99	48	s	s	PART
eurjchem-2196	99	49	groups	group	NOUN
eurjchem-2196	99	50	,	,	PUNCT
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eurjchem-2196	99	52	[	[	X
eurjchem-2196	99	53	26	26	NUM
eurjchem-2196	99	54	-	-	SYM
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eurjchem-2196	99	56	]	]	PUNCT
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eurjchem-2196	100	4	lengths	length	NOUN
eurjchem-2196	100	5	for	for	ADP
eurjchem-2196	100	6	this	this	DET
eurjchem-2196	100	7	molecule	molecule	NOUN
eurjchem-2196	100	8	(	(	PUNCT
eurjchem-2196	100	9	c8	c8	NOUN
eurjchem-2196	100	10	-	-	PUNCT
eurjchem-2196	100	11	n1	n1	NOUN
eurjchem-2196	100	12	:	:	PUNCT
eurjchem-2196	100	13	1.376(3	1.376(3	NUM
eurjchem-2196	100	14	)	)	PUNCT
eurjchem-2196	100	15	å	å	PROPN
eurjchem-2196	100	16	,	,	PUNCT
eurjchem-2196	100	17	c7	c7	PROPN
eurjchem-2196	100	18	-	-	PUNCT
eurjchem-2196	100	19	n1	n1	PROPN
eurjchem-2196	100	20	:	:	PUNCT
eurjchem-2196	100	21	1.389(3	1.389(3	NUM
eurjchem-2196	100	22	)	)	PUNCT
eurjchem-2196	100	23	å	å	PROPN
eurjchem-2196	100	24	,	,	PUNCT
eurjchem-2196	100	25	c7	c7	PROPN
eurjchem-2196	100	26	-	-	PUNCT
eurjchem-2196	100	27	n2	n2	NOUN
eurjchem-2196	100	28	:	:	PUNCT
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eurjchem-2196	100	30	)	)	PUNCT
eurjchem-2196	100	31	å	å	PROPN
eurjchem-2196	100	32	,	,	PUNCT
eurjchem-2196	100	33	c1	c1	NOUN
eurjchem-2196	100	34	-	-	PUNCT
eurjchem-2196	100	35	n2	n2	NOUN
eurjchem-2196	100	36	:	:	PUNCT
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eurjchem-2196	100	45	the	the	DET
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eurjchem-2196	100	47	single	single	ADJ
eurjchem-2196	100	48	c	c	NOUN
eurjchem-2196	100	49	–	–	PUNCT
eurjchem-2196	100	50	n	n	PRON
eurjchem-2196	100	51	bond	bond	NOUN
eurjchem-2196	100	52	length	length	NOUN
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eurjchem-2196	100	54	1.48	1.48	NUM
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eurjchem-2196	100	56	,	,	PUNCT
eurjchem-2196	100	57	thus	thus	ADV
eurjchem-2196	100	58	showing	show	VERB
eurjchem-2196	100	59	varying	vary	VERB
eurjchem-2196	100	60	degrees	degree	NOUN
eurjchem-2196	100	61	of	of	ADP
eurjchem-2196	100	62	double	double	ADJ
eurjchem-2196	100	63	bond	bond	NOUN
eurjchem-2196	100	64	character	character	NOUN
eurjchem-2196	100	65	in	in	ADP
eurjchem-2196	100	66	these	these	DET
eurjchem-2196	100	67	c	c	NOUN
eurjchem-2196	100	68	-	-	PUNCT
eurjchem-2196	100	69	n	n	NOUN
eurjchem-2196	100	70	bonds	bond	NOUN
eurjchem-2196	100	71	[	[	X
eurjchem-2196	100	72	54	54	NUM
eurjchem-2196	100	73	-	-	SYM
eurjchem-2196	100	74	58	58	NUM
eurjchem-2196	100	75	]	]	PUNCT
eurjchem-2196	100	76	.	.	PUNCT
eurjchem-2196	101	1	the	the	DET
eurjchem-2196	101	2	bond	bond	NOUN
eurjchem-2196	101	3	lengths	length	NOUN
eurjchem-2196	101	4	within	within	ADP
eurjchem-2196	101	5	the	the	DET
eurjchem-2196	101	6	cyclohexane	cyclohexane	NOUN
eurjchem-2196	101	7	ring	ring	NOUN
eurjchem-2196	101	8	(	(	PUNCT
eurjchem-2196	101	9	c9	c9	NOUN
eurjchem-2196	101	10	-	-	PUNCT
eurjchem-2196	101	11	c14	c14	NOUN
eurjchem-2196	101	12	)	)	PUNCT
eurjchem-2196	101	13	lie	lie	NOUN
eurjchem-2196	101	14	in	in	ADP
eurjchem-2196	101	15	the	the	DET
eurjchem-2196	101	16	expected	expect	VERB
eurjchem-2196	101	17	lengths	length	NOUN
eurjchem-2196	101	18	(	(	PUNCT
eurjchem-2196	101	19	c9	c9	NOUN
eurjchem-2196	101	20	-	-	PUNCT
eurjchem-2196	101	21	c10	c10	PROPN
eurjchem-2196	101	22	:	:	PUNCT
eurjchem-2196	101	23	1.525(3	1.525(3	NUM
eurjchem-2196	101	24	)	)	PUNCT
eurjchem-2196	101	25	,	,	PUNCT
eurjchem-2196	101	26	c10c11	c10c11	ADJ
eurjchem-2196	101	27	:	:	PUNCT
eurjchem-2196	101	28	1.526(3	1.526(3	NUM
eurjchem-2196	101	29	)	)	PUNCT
eurjchem-2196	101	30	,	,	PUNCT
eurjchem-2196	101	31	c11	c11	NOUN
eurjchem-2196	101	32	-	-	PUNCT
eurjchem-2196	101	33	c12	c12	NOUN
eurjchem-2196	101	34	:	:	PUNCT
eurjchem-2196	101	35	1.519(4	1.519(4	NUM
eurjchem-2196	101	36	)	)	PUNCT
eurjchem-2196	101	37	,	,	PUNCT
eurjchem-2196	101	38	c12	c12	PROPN
eurjchem-2196	101	39	-	-	PUNCT
eurjchem-2196	101	40	c13	c13	PROPN
eurjchem-2196	101	41	:	:	PUNCT
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eurjchem-2196	101	43	)	)	PUNCT
eurjchem-2196	101	44	,	,	PUNCT
eurjchem-2196	101	45	c13	c13	PROPN
eurjchem-2196	101	46	-	-	PUNCT
eurjchem-2196	101	47	c14	c14	NOUN
eurjchem-2196	101	48	:	:	PUNCT
eurjchem-2196	101	49	1.525(3	1.525(3	NUM
eurjchem-2196	101	50	)	)	PUNCT
eurjchem-2196	101	51	,	,	PUNCT
eurjchem-2196	101	52	c9	c9	NOUN
eurjchem-2196	101	53	-	-	PUNCT
eurjchem-2196	101	54	c14	c14	NOUN
eurjchem-2196	101	55	:	:	PUNCT
eurjchem-2196	101	56	1.539(3	1.539(3	NUM
eurjchem-2196	101	57	)	)	PUNCT
eurjchem-2196	101	58	å	å	NOUN
eurjchem-2196	101	59	)	)	PUNCT
eurjchem-2196	101	60	.	.	PUNCT
eurjchem-2196	102	1	the	the	DET
eurjchem-2196	102	2	bond	bond	NOUN
eurjchem-2196	102	3	angles	angle	VERB
eurjchem-2196	102	4	in	in	ADP
eurjchem-2196	102	5	cyclohexane	cyclohexane	NOUN
eurjchem-2196	102	6	ring	ring	NOUN
eurjchem-2196	102	7	(	(	PUNCT
eurjchem-2196	102	8	c9	c9	NOUN
eurjchem-2196	102	9	-	-	PUNCT
eurjchem-2196	102	10	c14	c14	NOUN
eurjchem-2196	102	11	)	)	PUNCT
eurjchem-2196	102	12	are	be	AUX
eurjchem-2196	102	13	in	in	ADP
eurjchem-2196	102	14	the	the	DET
eurjchem-2196	102	15	range	range	NOUN
eurjchem-2196	102	16	between	between	ADP
eurjchem-2196	102	17	110.06(18	110.06(18	PROPN
eurjchem-2196	102	18	)	)	PUNCT
eurjchem-2196	102	19	and	and	CCONJ
eurjchem-2196	102	20	111.8(2	111.8(2	NUM
eurjchem-2196	102	21	)	)	PUNCT
eurjchem-2196	102	22	°	°	NOUN
eurjchem-2196	103	1	and	and	CCONJ
eurjchem-2196	103	2	these	these	PRON
eurjchem-2196	103	3	obtained	obtain	VERB
eurjchem-2196	103	4	bond	bond	NOUN
eurjchem-2196	103	5	angle	angle	NOUN
eurjchem-2196	103	6	values	value	NOUN
eurjchem-2196	103	7	agree	agree	VERB
eurjchem-2196	103	8	with	with	ADP
eurjchem-2196	103	9	the	the	DET
eurjchem-2196	103	10	literature	literature	NOUN
eurjchem-2196	103	11	values	value	NOUN
eurjchem-2196	103	12	[	[	X
eurjchem-2196	103	13	26	26	NUM
eurjchem-2196	103	14	-	-	SYM
eurjchem-2196	103	15	28	28	NUM
eurjchem-2196	103	16	]	]	PUNCT
eurjchem-2196	103	17	.	.	PUNCT
eurjchem-2196	104	1	the	the	DET
eurjchem-2196	104	2	puckering	pucker	VERB
eurjchem-2196	104	3	parameters	parameter	NOUN
eurjchem-2196	104	4	are	be	AUX
eurjchem-2196	104	5	q2	q2	NOUN
eurjchem-2196	104	6	=	=	SYM
eurjchem-2196	104	7	0.019(3	0.019(3	NUM
eurjchem-2196	104	8	)	)	PUNCT
eurjchem-2196	104	9	å	å	NOUN
eurjchem-2196	104	10	,	,	PUNCT
eurjchem-2196	104	11	q3	q3	NOUN
eurjchem-2196	104	12	=	=	SYM
eurjchem-2196	104	13	0.578(3	0.578(3	ADJ
eurjchem-2196	104	14	)	)	PUNCT
eurjchem-2196	104	15	å	å	PROPN
eurjchem-2196	104	16	,	,	PUNCT
eurjchem-2196	104	17	θ	θ	X
eurjchem-2196	104	18	=	=	SYM
eurjchem-2196	104	19	1.0(3	1.0(3	NUM
eurjchem-2196	104	20	)	)	PUNCT
eurjchem-2196	104	21	°	°	NOUN
eurjchem-2196	104	22	,	,	PUNCT
eurjchem-2196	104	23	and	and	CCONJ
eurjchem-2196	104	24	φ	φ	NUM
eurjchem-2196	104	25	=	=	SYM
eurjchem-2196	104	26	51(8)	51(8)	PROPN
eurjchem-2196	104	27	°	°	NUM
eurjchem-2196	104	28	.	.	PUNCT
eurjchem-2196	105	1	the	the	DET
eurjchem-2196	105	2	conformation	conformation	NOUN
eurjchem-2196	105	3	of	of	ADP
eurjchem-2196	105	4	the	the	DET
eurjchem-2196	105	5	cyclohexane	cyclohexane	NOUN
eurjchem-2196	105	6	ring	ring	NOUN
eurjchem-2196	105	7	slightly	slightly	ADV
eurjchem-2196	105	8	deviates	deviate	VERB
eurjchem-2196	105	9	from	from	ADP
eurjchem-2196	105	10	the	the	DET
eurjchem-2196	105	11	ideal	ideal	ADJ
eurjchem-2196	105	12	chair	chair	NOUN
eurjchem-2196	105	13	(	(	PUNCT
eurjchem-2196	105	14	θ	θ	NOUN
eurjchem-2196	105	15	=	=	SYM
eurjchem-2196	105	16	1.0(3	1.0(3	NUM
eurjchem-2196	105	17	)	)	PUNCT
eurjchem-2196	105	18	°	°	NOUN
eurjchem-2196	105	19	)	)	PUNCT
eurjchem-2196	105	20	for	for	ADP
eurjchem-2196	105	21	the	the	DET
eurjchem-2196	105	22	title	title	NOUN
eurjchem-2196	105	23	compound	compound	NOUN
eurjchem-2196	105	24	.	.	PUNCT
eurjchem-2196	106	1	these	these	DET
eurjchem-2196	106	2	ring	ring	NOUN
eurjchem-2196	106	3	puckering	pucker	VERB
eurjchem-2196	106	4	parameters	parameter	NOUN
eurjchem-2196	106	5	show	show	VERB
eurjchem-2196	106	6	that	that	SCONJ
eurjchem-2196	106	7	the	the	DET
eurjchem-2196	106	8	cyclohexane	cyclohexane	NOUN
eurjchem-2196	106	9	ring	ring	NOUN
eurjchem-2196	106	10	has	have	VERB
eurjchem-2196	106	11	a	a	DET
eurjchem-2196	106	12	chair	chair	NOUN
eurjchem-2196	106	13	conformation	conformation	NOUN
eurjchem-2196	106	14	[	[	X
eurjchem-2196	106	15	59,60	59,60	NUM
eurjchem-2196	106	16	]	]	PUNCT
eurjchem-2196	106	17	.	.	PUNCT
eurjchem-2196	107	1	the	the	DET
eurjchem-2196	107	2	crystal	crystal	NOUN
eurjchem-2196	107	3	packing	packing	NOUN
eurjchem-2196	107	4	of	of	ADP
eurjchem-2196	107	5	the	the	DET
eurjchem-2196	107	6	title	title	NOUN
eurjchem-2196	107	7	compound	compound	NOUN
eurjchem-2196	107	8	is	be	AUX
eurjchem-2196	107	9	stabilized	stabilize	VERB
eurjchem-2196	107	10	by	by	ADP
eurjchem-2196	107	11	a	a	DET
eurjchem-2196	107	12	combination	combination	NOUN
eurjchem-2196	107	13	of	of	ADP
eurjchem-2196	107	14	intramolecular	intramolecular	ADJ
eurjchem-2196	107	15	and	and	CCONJ
eurjchem-2196	107	16	intermolecular	intermolecular	ADJ
eurjchem-2196	107	17	hydrogen	hydrogen	NOUN
eurjchem-2196	107	18	bonds	bond	NOUN
eurjchem-2196	107	19	(	(	PUNCT
eurjchem-2196	107	20	table	table	NOUN
eurjchem-2196	107	21	4	4	NUM
eurjchem-2196	107	22	)	)	PUNCT
eurjchem-2196	107	23	.	.	PUNCT
eurjchem-2196	108	1	the	the	DET
eurjchem-2196	108	2	intramolecular	intramolecular	ADJ
eurjchem-2196	108	3	hydrogen	hydrogen	NOUN
eurjchem-2196	108	4	bonds	bond	NOUN
eurjchem-2196	108	5	cause	cause	VERB
eurjchem-2196	108	6	the	the	DET
eurjchem-2196	108	7	formation	formation	NOUN
eurjchem-2196	108	8	of	of	ADP
eurjchem-2196	108	9	the	the	DET
eurjchem-2196	108	10	two	two	NUM
eurjchem-2196	108	11	fused	fuse	VERB
eurjchem-2196	108	12	s(6	s(6	PROPN
eurjchem-2196	108	13	)	)	PUNCT
eurjchem-2196	108	14	ring	ring	NOUN
eurjchem-2196	108	15	motifs	motif	NOUN
eurjchem-2196	108	16	in	in	ADP
eurjchem-2196	108	17	the	the	DET
eurjchem-2196	108	18	title	title	NOUN
eurjchem-2196	108	19	compound	compound	NOUN
eurjchem-2196	108	20	(	(	PUNCT
eurjchem-2196	108	21	figure	figure	NOUN
eurjchem-2196	108	22	3	3	NUM
eurjchem-2196	108	23	)	)	PUNCT
eurjchem-2196	108	24	.	.	PUNCT
eurjchem-2196	109	1	3.2	3.2	NUM
eurjchem-2196	109	2	.	.	PUNCT
eurjchem-2196	110	1	computational	computational	ADJ
eurjchem-2196	110	2	studies	study	NOUN
eurjchem-2196	110	3	the	the	DET
eurjchem-2196	110	4	bond	bond	NOUN
eurjchem-2196	110	5	angles	angle	NOUN
eurjchem-2196	110	6	and	and	CCONJ
eurjchem-2196	110	7	bond	bond	NOUN
eurjchem-2196	110	8	lengths	length	NOUN
eurjchem-2196	110	9	of	of	ADP
eurjchem-2196	110	10	the	the	DET
eurjchem-2196	110	11	experimental	experimental	ADJ
eurjchem-2196	110	12	xrd	xrd	NOUN
eurjchem-2196	110	13	and	and	CCONJ
eurjchem-2196	110	14	dft	dft	PROPN
eurjchem-2196	110	15	optimized	optimize	VERB
eurjchem-2196	110	16	title	title	NOUN
eurjchem-2196	110	17	compound	compound	NOUN
eurjchem-2196	110	18	are	be	AUX
eurjchem-2196	110	19	listed	list	VERB
eurjchem-2196	110	20	in	in	ADP
eurjchem-2196	110	21	tables	table	NOUN
eurjchem-2196	110	22	2	2	NUM
eurjchem-2196	110	23	and	and	CCONJ
eurjchem-2196	110	24	3	3	NUM
eurjchem-2196	110	25	.	.	PUNCT
eurjchem-2196	111	1	the	the	DET
eurjchem-2196	111	2	theoretical	theoretical	ADJ
eurjchem-2196	111	3	and	and	CCONJ
eurjchem-2196	111	4	experimental	experimental	ADJ
eurjchem-2196	111	5	parameters	parameter	NOUN
eurjchem-2196	111	6	differ	differ	VERB
eurjchem-2196	111	7	somewhat	somewhat	ADV
eurjchem-2196	111	8	,	,	PUNCT
eurjchem-2196	111	9	which	which	PRON
eurjchem-2196	111	10	may	may	AUX
eurjchem-2196	111	11	be	be	AUX
eurjchem-2196	111	12	explained	explain	VERB
eurjchem-2196	111	13	by	by	ADP
eurjchem-2196	111	14	the	the	DET
eurjchem-2196	111	15	fact	fact	NOUN
eurjchem-2196	111	16	that	that	SCONJ
eurjchem-2196	111	17	the	the	DET
eurjchem-2196	111	18	dft	dft	PROPN
eurjchem-2196	111	19	calculation	calculation	NOUN
eurjchem-2196	111	20	was	be	AUX
eurjchem-2196	111	21	performed	perform	VERB
eurjchem-2196	111	22	on	on	ADP
eurjchem-2196	111	23	an	an	DET
eurjchem-2196	111	24	isolated	isolated	ADJ
eurjchem-2196	111	25	molecule	molecule	NOUN
eurjchem-2196	111	26	in	in	ADP
eurjchem-2196	111	27	the	the	DET
eurjchem-2196	111	28	gaseous	gaseous	ADJ
eurjchem-2196	111	29	phase	phase	NOUN
eurjchem-2196	111	30	,	,	PUNCT
eurjchem-2196	111	31	whereas	whereas	SCONJ
eurjchem-2196	111	32	the	the	DET
eurjchem-2196	111	33	x	x	NOUN
eurjchem-2196	111	34	-	-	NOUN
eurjchem-2196	111	35	ray	ray	NOUN
eurjchem-2196	111	36	parameters	parameter	NOUN
eurjchem-2196	111	37	were	be	AUX
eurjchem-2196	111	38	calculated	calculate	VERB
eurjchem-2196	111	39	on	on	ADP
eurjchem-2196	111	40	molecules	molecule	NOUN
eurjchem-2196	111	41	in	in	ADP
eurjchem-2196	111	42	the	the	DET
eurjchem-2196	111	43	solid	solid	ADJ
eurjchem-2196	111	44	-	-	PUNCT
eurjchem-2196	111	45	state	state	NOUN
eurjchem-2196	111	46	(	(	PUNCT
eurjchem-2196	111	47	figure	figure	NOUN
eurjchem-2196	111	48	4	4	NUM
eurjchem-2196	111	49	)	)	PUNCT
eurjchem-2196	111	50	.	.	PUNCT
eurjchem-2196	112	1	442	442	NUM
eurjchem-2196	112	2	ozer	ozer	NOUN
eurjchem-2196	112	3	et	et	PROPN
eurjchem-2196	112	4	al	al	PROPN
eurjchem-2196	112	5	.	.	PUNCT
eurjchem-2196	112	6	/	/	SYM
eurjchem-2196	112	7	european	european	PROPN
eurjchem-2196	112	8	journal	journal	PROPN
eurjchem-2196	112	9	of	of	ADP
eurjchem-2196	112	10	chemistry	chemistry	NOUN
eurjchem-2196	112	11	12	12	NUM
eurjchem-2196	112	12	(	(	PUNCT
eurjchem-2196	112	13	4	4	NUM
eurjchem-2196	112	14	)	)	PUNCT
eurjchem-2196	112	15	(	(	PUNCT
eurjchem-2196	112	16	2021	2021	NUM
eurjchem-2196	112	17	)	)	PUNCT
eurjchem-2196	112	18	439	439	NUM
eurjchem-2196	112	19	-	-	SYM
eurjchem-2196	112	20	449	449	NUM
eurjchem-2196	112	21	2021	2021	NUM
eurjchem-2196	112	22	–	–	PUNCT
eurjchem-2196	112	23	european	european	ADJ
eurjchem-2196	112	24	journal	journal	NOUN
eurjchem-2196	112	25	of	of	ADP
eurjchem-2196	112	26	chemistry	chemistry	NOUN
eurjchem-2196	112	27	–	–	PUNCT
eurjchem-2196	112	28	cc	cc	NOUN
eurjchem-2196	112	29	by	by	ADP
eurjchem-2196	112	30	nc	nc	PROPN
eurjchem-2196	112	31	–	–	PUNCT
eurjchem-2196	112	32	doi	doi	PROPN
eurjchem-2196	112	33	:	:	PUNCT
eurjchem-2196	112	34	10.5155	10.5155	NUM
eurjchem-2196	112	35	/	/	SYM
eurjchem-2196	112	36	eurjchem.12.4.439	eurjchem.12.4.439	NOUN
eurjchem-2196	112	37	-	-	PUNCT
eurjchem-2196	112	38	449.2196	449.2196	NUM
eurjchem-2196	112	39	table	table	NOUN
eurjchem-2196	112	40	4	4	NUM
eurjchem-2196	112	41	.	.	PUNCT
eurjchem-2196	112	42	intraand	intraand	PROPN
eurjchem-2196	112	43	inter	inter	ADJ
eurjchem-2196	112	44	-	-	ADJ
eurjchem-2196	112	45	molecular	molecular	ADJ
eurjchem-2196	112	46	hydrogen	hydrogen	NOUN
eurjchem-2196	112	47	bonds	bond	NOUN
eurjchem-2196	112	48	for	for	ADP
eurjchem-2196	112	49	the	the	DET
eurjchem-2196	112	50	title	title	NOUN
eurjchem-2196	112	51	compound	compound	NOUN
eurjchem-2196	112	52	(	(	PUNCT
eurjchem-2196	112	53	å	å	PROPN
eurjchem-2196	112	54	,	,	PUNCT
eurjchem-2196	112	55	°	°	NUM
eurjchem-2196	112	56	)	)	PUNCT
eurjchem-2196	112	57	.	.	PUNCT
eurjchem-2196	113	1	d	d	X
eurjchem-2196	113	2	-	-	PUNCT
eurjchem-2196	113	3	h⋯a	h⋯a	NOUN
eurjchem-2196	113	4	d(d	d(d	PROPN
eurjchem-2196	113	5	-	-	PUNCT
eurjchem-2196	113	6	h	h	NOUN
eurjchem-2196	113	7	)	)	PUNCT
eurjchem-2196	113	8	d(h⋯a	d(h⋯a	PROPN
eurjchem-2196	113	9	)	)	PUNCT
eurjchem-2196	113	10	d(d⋯a	d(d⋯a	PROPN
eurjchem-2196	113	11	)	)	PUNCT
eurjchem-2196	113	12	∠	∠	PROPN
eurjchem-2196	113	13	d	d	PROPN
eurjchem-2196	113	14	-	-	PUNCT
eurjchem-2196	113	15	h⋯a	h⋯a	NOUN
eurjchem-2196	113	16	symmetry	symmetry	NOUN
eurjchem-2196	113	17	n(1)-h(1)⋯s(1	n(1)-h(1)⋯s(1	PROPN
eurjchem-2196	113	18	)	)	PUNCT
eurjchem-2196	113	19	0.77(3	0.77(3	NUM
eurjchem-2196	113	20	)	)	PUNCT
eurjchem-2196	113	21	2.71(3	2.71(3	NUM
eurjchem-2196	113	22	)	)	PUNCT
eurjchem-2196	113	23	3.4679(19	3.4679(19	NUM
eurjchem-2196	113	24	)	)	PUNCT
eurjchem-2196	113	25	166(2	166(2	NUM
eurjchem-2196	113	26	)	)	PUNCT
eurjchem-2196	113	27	2	2	NUM
eurjchem-2196	113	28	-	-	SYM
eurjchem-2196	113	29	x	x	NOUN
eurjchem-2196	113	30	,	,	PUNCT
eurjchem-2196	113	31	2	2	NUM
eurjchem-2196	113	32	-	-	SYM
eurjchem-2196	113	33	y	y	NOUN
eurjchem-2196	113	34	,	,	PUNCT
eurjchem-2196	113	35	1	1	NUM
eurjchem-2196	113	36	-	-	PUNCT
eurjchem-2196	113	37	z	z	NOUN
eurjchem-2196	113	38	n(2)-h(2)⋯cl(1	n(2)-h(2)⋯cl(1	NOUN
eurjchem-2196	113	39	)	)	PUNCT
eurjchem-2196	113	40	0.84(3	0.84(3	SYM
eurjchem-2196	113	41	)	)	PUNCT
eurjchem-2196	113	42	2.44(3	2.44(3	NUM
eurjchem-2196	113	43	)	)	PUNCT
eurjchem-2196	113	44	2.9389(19	2.9389(19	NUM
eurjchem-2196	113	45	)	)	PUNCT
eurjchem-2196	113	46	116(2	116(2	NUM
eurjchem-2196	113	47	)	)	PUNCT
eurjchem-2196	113	48	n(2)-h(2)⋯o(1	n(2)-h(2)⋯o(1	NOUN
eurjchem-2196	113	49	)	)	PUNCT
eurjchem-2196	113	50	0.84(3	0.84(3	SYM
eurjchem-2196	113	51	)	)	PUNCT
eurjchem-2196	113	52	1.91(3	1.91(3	NUM
eurjchem-2196	113	53	)	)	PUNCT
eurjchem-2196	113	54	2.646(2	2.646(2	NUM
eurjchem-2196	113	55	)	)	PUNCT
eurjchem-2196	113	56	145(2	145(2	NUM
eurjchem-2196	113	57	)	)	PUNCT
eurjchem-2196	113	58	c(2)-h(2a)⋯s(1	c(2)-h(2a)⋯s(1	NOUN
eurjchem-2196	113	59	)	)	PUNCT
eurjchem-2196	114	1	0.92(3	0.92(3	NUM
eurjchem-2196	114	2	)	)	PUNCT
eurjchem-2196	114	3	2.58(3	2.58(3	NUM
eurjchem-2196	114	4	)	)	PUNCT
eurjchem-2196	114	5	3.192(2	3.192(2	NUM
eurjchem-2196	114	6	)	)	PUNCT
eurjchem-2196	114	7	125(2	125(2	NUM
eurjchem-2196	114	8	)	)	PUNCT
eurjchem-2196	114	9	c(9)-h(9)⋯s(1	c(9)-h(9)⋯s(1	PROPN
eurjchem-2196	114	10	)	)	PUNCT
eurjchem-2196	114	11	0.99(2	0.99(2	SYM
eurjchem-2196	114	12	)	)	PUNCT
eurjchem-2196	114	13	2.82(2	2.82(2	NUM
eurjchem-2196	114	14	)	)	PUNCT
eurjchem-2196	114	15	3.561(2	3.561(2	NUM
eurjchem-2196	114	16	)	)	PUNCT
eurjchem-2196	114	17	132.2(16	132.2(16	NOUN
eurjchem-2196	114	18	)	)	PUNCT
eurjchem-2196	114	19	2	2	NUM
eurjchem-2196	114	20	-	-	SYM
eurjchem-2196	114	21	x	x	NOUN
eurjchem-2196	114	22	,	,	PUNCT
eurjchem-2196	114	23	2	2	NUM
eurjchem-2196	114	24	-	-	SYM
eurjchem-2196	114	25	y	y	NOUN
eurjchem-2196	114	26	,	,	PUNCT
eurjchem-2196	114	27	1	1	NUM
eurjchem-2196	114	28	-	-	NOUN
eurjchem-2196	114	29	z	z	NOUN
eurjchem-2196	114	30	(	(	PUNCT
eurjchem-2196	114	31	a	a	NOUN
eurjchem-2196	114	32	)	)	PUNCT
eurjchem-2196	114	33	(	(	PUNCT
eurjchem-2196	114	34	b	b	X
eurjchem-2196	114	35	)	)	PUNCT
eurjchem-2196	114	36	figure	figure	NOUN
eurjchem-2196	114	37	2	2	NUM
eurjchem-2196	114	38	.	.	PUNCT
eurjchem-2196	115	1	the	the	DET
eurjchem-2196	115	2	unit	unit	NOUN
eurjchem-2196	115	3	cell	cell	NOUN
eurjchem-2196	115	4	packing	packing	NOUN
eurjchem-2196	115	5	of	of	ADP
eurjchem-2196	115	6	the	the	DET
eurjchem-2196	115	7	title	title	NOUN
eurjchem-2196	115	8	compound	compound	NOUN
eurjchem-2196	115	9	viewed	view	VERB
eurjchem-2196	115	10	along	along	ADP
eurjchem-2196	115	11	the	the	DET
eurjchem-2196	115	12	a	a	DET
eurjchem-2196	115	13	-	-	PUNCT
eurjchem-2196	115	14	axis	axis	NOUN
eurjchem-2196	115	15	(	(	PUNCT
eurjchem-2196	115	16	a	a	NOUN
eurjchem-2196	115	17	)	)	PUNCT
eurjchem-2196	115	18	and	and	CCONJ
eurjchem-2196	115	19	c	c	NOUN
eurjchem-2196	115	20	-	-	PUNCT
eurjchem-2196	115	21	axis	axis	NOUN
eurjchem-2196	115	22	(	(	PUNCT
eurjchem-2196	115	23	b	b	NOUN
eurjchem-2196	115	24	)	)	PUNCT
eurjchem-2196	115	25	.	.	PUNCT
eurjchem-2196	116	1	figure	figure	VERB
eurjchem-2196	116	2	3	3	NUM
eurjchem-2196	116	3	.	.	PUNCT
eurjchem-2196	116	4	intramolecular	intramolecular	ADJ
eurjchem-2196	116	5	hydrogen	hydrogen	NOUN
eurjchem-2196	116	6	bonds	bond	NOUN
eurjchem-2196	116	7	cause	cause	VERB
eurjchem-2196	116	8	the	the	DET
eurjchem-2196	116	9	formation	formation	NOUN
eurjchem-2196	116	10	of	of	ADP
eurjchem-2196	116	11	two	two	NUM
eurjchem-2196	116	12	fused	fuse	VERB
eurjchem-2196	116	13	s(6	s(6	PROPN
eurjchem-2196	116	14	)	)	PUNCT
eurjchem-2196	116	15	ring	ring	NOUN
eurjchem-2196	116	16	motifs	motif	NOUN
eurjchem-2196	116	17	in	in	ADP
eurjchem-2196	116	18	the	the	DET
eurjchem-2196	116	19	title	title	NOUN
eurjchem-2196	116	20	compound	compound	NOUN
eurjchem-2196	116	21	.	.	PUNCT
eurjchem-2196	117	1	figure	figure	NOUN
eurjchem-2196	117	2	4	4	NUM
eurjchem-2196	117	3	.	.	PUNCT
eurjchem-2196	117	4	optimized	optimize	VERB
eurjchem-2196	117	5	geometric	geometric	ADJ
eurjchem-2196	117	6	structure	structure	NOUN
eurjchem-2196	117	7	of	of	ADP
eurjchem-2196	117	8	the	the	DET
eurjchem-2196	117	9	title	title	NOUN
eurjchem-2196	117	10	compound	compound	NOUN
eurjchem-2196	117	11	obtained	obtain	VERB
eurjchem-2196	117	12	at	at	ADP
eurjchem-2196	117	13	b3lyp/6	b3lyp/6	PROPN
eurjchem-2196	117	14	-	-	NOUN
eurjchem-2196	117	15	311g(d	311g(d	NUM
eurjchem-2196	117	16	,	,	PUNCT
eurjchem-2196	117	17	p	p	NOUN
eurjchem-2196	117	18	)	)	PUNCT
eurjchem-2196	117	19	level	level	NOUN
eurjchem-2196	117	20	.	.	PUNCT
eurjchem-2196	118	1	figure	figure	NOUN
eurjchem-2196	118	2	5	5	NUM
eurjchem-2196	118	3	.	.	PUNCT
eurjchem-2196	119	1	atom	atom	NOUN
eurjchem-2196	119	2	-	-	PUNCT
eurjchem-2196	119	3	by	by	ADP
eurjchem-2196	119	4	-	-	PUNCT
eurjchem-2196	119	5	atom	atom	NOUN
eurjchem-2196	119	6	superimposition	superimposition	NOUN
eurjchem-2196	119	7	of	of	ADP
eurjchem-2196	119	8	the	the	DET
eurjchem-2196	119	9	structures	structure	NOUN
eurjchem-2196	119	10	calculated	calculate	VERB
eurjchem-2196	119	11	(	(	PUNCT
eurjchem-2196	119	12	blue	blue	ADJ
eurjchem-2196	119	13	)	)	PUNCT
eurjchem-2196	119	14	over	over	ADP
eurjchem-2196	119	15	the	the	DET
eurjchem-2196	119	16	x	x	ADJ
eurjchem-2196	119	17	-	-	NOUN
eurjchem-2196	119	18	ray	ray	NOUN
eurjchem-2196	119	19	structure	structure	NOUN
eurjchem-2196	119	20	(	(	PUNCT
eurjchem-2196	119	21	red	red	PROPN
eurjchem-2196	119	22	)	)	PUNCT
eurjchem-2196	119	23	for	for	ADP
eurjchem-2196	119	24	the	the	DET
eurjchem-2196	119	25	title	title	NOUN
eurjchem-2196	119	26	compound	compound	NOUN
eurjchem-2196	119	27	.	.	PUNCT
eurjchem-2196	120	1	the	the	DET
eurjchem-2196	120	2	experimental	experimental	ADJ
eurjchem-2196	120	3	geometries	geometry	NOUN
eurjchem-2196	120	4	determined	determine	VERB
eurjchem-2196	120	5	by	by	ADP
eurjchem-2196	120	6	the	the	DET
eurjchem-2196	120	7	x	x	PROPN
eurjchem-2196	120	8	-	-	NOUN
eurjchem-2196	120	9	ray	ray	NOUN
eurjchem-2196	120	10	diffraction	diffraction	NOUN
eurjchem-2196	120	11	technique	technique	NOUN
eurjchem-2196	120	12	and	and	CCONJ
eurjchem-2196	120	13	the	the	DET
eurjchem-2196	120	14	theoretically	theoretically	ADV
eurjchem-2196	120	15	derived	derive	VERB
eurjchem-2196	120	16	geometries	geometry	NOUN
eurjchem-2196	120	17	overlapped	overlap	VERB
eurjchem-2196	120	18	in	in	ADP
eurjchem-2196	120	19	the	the	DET
eurjchem-2196	120	20	current	current	ADJ
eurjchem-2196	120	21	study	study	NOUN
eurjchem-2196	120	22	(	(	PUNCT
eurjchem-2196	120	23	figure	figure	NOUN
eurjchem-2196	120	24	5	5	NUM
eurjchem-2196	120	25	)	)	PUNCT
eurjchem-2196	120	26	.	.	PUNCT
eurjchem-2196	121	1	in	in	ADP
eurjchem-2196	121	2	the	the	DET
eurjchem-2196	121	3	bond	bond	NOUN
eurjchem-2196	121	4	length	length	NOUN
eurjchem-2196	121	5	calculations	calculation	NOUN
eurjchem-2196	121	6	,	,	PUNCT
eurjchem-2196	121	7	the	the	DET
eurjchem-2196	121	8	correlation	correlation	NOUN
eurjchem-2196	121	9	was	be	AUX
eurjchem-2196	121	10	found	find	VERB
eurjchem-2196	121	11	at	at	ADP
eurjchem-2196	121	12	the	the	DET
eurjchem-2196	121	13	b3lyp/6311g(d	b3lyp/6311g(d	PROPN
eurjchem-2196	121	14	,	,	PUNCT
eurjchem-2196	121	15	p	p	NOUN
eurjchem-2196	121	16	)	)	PUNCT
eurjchem-2196	121	17	level	level	NOUN
eurjchem-2196	121	18	of	of	ADP
eurjchem-2196	121	19	theory	theory	NOUN
eurjchem-2196	121	20	as	as	ADP
eurjchem-2196	121	21	r	r	NOUN
eurjchem-2196	121	22	=	=	SYM
eurjchem-2196	121	23	0.9987	0.9987	NUM
eurjchem-2196	121	24	,	,	PUNCT
eurjchem-2196	121	25	and	and	CCONJ
eurjchem-2196	121	26	the	the	DET
eurjchem-2196	121	27	maximum	maximum	ADJ
eurjchem-2196	121	28	difference	difference	NOUN
eurjchem-2196	121	29	between	between	ADP
eurjchem-2196	121	30	the	the	DET
eurjchem-2196	121	31	theoretical	theoretical	ADJ
eurjchem-2196	121	32	and	and	CCONJ
eurjchem-2196	121	33	experimental	experimental	ADJ
eurjchem-2196	121	34	bond	bond	NOUN
eurjchem-2196	121	35	lengths	length	NOUN
eurjchem-2196	121	36	(	(	PUNCT
eurjchem-2196	121	37	c9	c9	NOUN
eurjchem-2196	121	38	-	-	PUNCT
eurjchem-2196	121	39	c10	c10	VERB
eurjchem-2196	121	40	)	)	PUNCT
eurjchem-2196	121	41	was	be	AUX
eurjchem-2196	121	42	0.0207	0.0207	NUM
eurjchem-2196	121	43	å	å	NOUN
eurjchem-2196	121	44	.	.	PUNCT
eurjchem-2196	122	1	in	in	ADP
eurjchem-2196	122	2	the	the	DET
eurjchem-2196	122	3	bond	bond	NOUN
eurjchem-2196	122	4	angle	angle	NOUN
eurjchem-2196	122	5	calculations	calculation	NOUN
eurjchem-2196	122	6	,	,	PUNCT
eurjchem-2196	122	7	the	the	DET
eurjchem-2196	122	8	correlation	correlation	NOUN
eurjchem-2196	122	9	was	be	AUX
eurjchem-2196	122	10	found	find	VERB
eurjchem-2196	122	11	as	as	ADP
eurjchem-2196	122	12	r	r	NOUN
eurjchem-2196	122	13	=	=	SYM
eurjchem-2196	122	14	0.9888	0.9888	NUM
eurjchem-2196	122	15	,	,	PUNCT
eurjchem-2196	122	16	and	and	CCONJ
eurjchem-2196	122	17	the	the	DET
eurjchem-2196	122	18	maximum	maximum	ADJ
eurjchem-2196	122	19	difference	difference	NOUN
eurjchem-2196	122	20	between	between	ADP
eurjchem-2196	122	21	the	the	DET
eurjchem-2196	122	22	theoretical	theoretical	ADJ
eurjchem-2196	122	23	and	and	CCONJ
eurjchem-2196	122	24	experimental	experimental	ADJ
eurjchem-2196	122	25	bond	bond	NOUN
eurjchem-2196	122	26	angles	angle	NOUN
eurjchem-2196	122	27	(	(	PUNCT
eurjchem-2196	122	28	c8	c8	NOUN
eurjchem-2196	122	29	-	-	PUNCT
eurjchem-2196	122	30	c9	c9	NOUN
eurjchem-2196	122	31	-	-	PUNCT
eurjchem-2196	122	32	c10	c10	VERB
eurjchem-2196	122	33	)	)	PUNCT
eurjchem-2196	122	34	was	be	AUX
eurjchem-2196	122	35	2.632	2.632	NUM
eurjchem-2196	122	36	°	°	NOUN
eurjchem-2196	122	37	.	.	PUNCT
eurjchem-2196	123	1	the	the	DET
eurjchem-2196	123	2	rms	rm	NOUN
eurjchem-2196	123	3	value	value	NOUN
eurjchem-2196	123	4	resulting	result	VERB
eurjchem-2196	123	5	from	from	ADP
eurjchem-2196	123	6	the	the	DET
eurjchem-2196	123	7	superposition	superposition	NOUN
eurjchem-2196	123	8	of	of	ADP
eurjchem-2196	123	9	the	the	DET
eurjchem-2196	123	10	experimental	experimental	ADJ
eurjchem-2196	123	11	and	and	CCONJ
eurjchem-2196	123	12	theoretically	theoretically	ADV
eurjchem-2196	123	13	structure	structure	NOUN
eurjchem-2196	123	14	was	be	AUX
eurjchem-2196	123	15	found	find	VERB
eurjchem-2196	123	16	to	to	PART
eurjchem-2196	123	17	be	be	AUX
eurjchem-2196	123	18	0.452	0.452	NUM
eurjchem-2196	123	19	å	å	PROPN
eurjchem-2196	123	20	for	for	ADP
eurjchem-2196	123	21	b3lyp/6	b3lyp/6	PROPN
eurjchem-2196	123	22	-	-	NOUN
eurjchem-2196	123	23	311g(d	311g(d	NUM
eurjchem-2196	123	24	,	,	PUNCT
eurjchem-2196	123	25	p	p	NOUN
eurjchem-2196	123	26	)	)	PUNCT
eurjchem-2196	123	27	level	level	NOUN
eurjchem-2196	123	28	.	.	PUNCT
eurjchem-2196	124	1	according	accord	VERB
eurjchem-2196	124	2	to	to	ADP
eurjchem-2196	124	3	this	this	DET
eurjchem-2196	124	4	result	result	NOUN
eurjchem-2196	124	5	,	,	PUNCT
eurjchem-2196	124	6	the	the	DET
eurjchem-2196	124	7	dft	dft	PROPN
eurjchem-2196	124	8	method	method	NOUN
eurjchem-2196	124	9	has	have	VERB
eurjchem-2196	124	10	minor	minor	ADJ
eurjchem-2196	124	11	level	level	NOUN
eurjchem-2196	124	12	error	error	NOUN
eurjchem-2196	124	13	and	and	CCONJ
eurjchem-2196	124	14	we	we	PRON
eurjchem-2196	124	15	can	can	AUX
eurjchem-2196	124	16	use	use	VERB
eurjchem-2196	124	17	for	for	ADP
eurjchem-2196	124	18	the	the	DET
eurjchem-2196	124	19	future	future	ADJ
eurjchem-2196	124	20	calculations	calculation	NOUN
eurjchem-2196	124	21	for	for	ADP
eurjchem-2196	124	22	the	the	DET
eurjchem-2196	124	23	characterrization	characterrization	NOUN
eurjchem-2196	124	24	of	of	ADP
eurjchem-2196	124	25	the	the	DET
eurjchem-2196	124	26	three	three	NUM
eurjchem-2196	124	27	-	-	PUNCT
eurjchem-2196	124	28	dimensional	dimensional	ADJ
eurjchem-2196	124	29	structure	structure	NOUN
eurjchem-2196	124	30	of	of	ADP
eurjchem-2196	124	31	molecular	molecular	ADJ
eurjchem-2196	124	32	geometry	geometry	NOUN
eurjchem-2196	124	33	.	.	PUNCT
eurjchem-2196	125	1	ozer	ozer	NOUN
eurjchem-2196	125	2	et	et	PROPN
eurjchem-2196	125	3	al	al	PROPN
eurjchem-2196	125	4	.	.	PUNCT
eurjchem-2196	125	5	/	/	SYM
eurjchem-2196	125	6	european	european	PROPN
eurjchem-2196	125	7	journal	journal	PROPN
eurjchem-2196	125	8	of	of	ADP
eurjchem-2196	125	9	chemistry	chemistry	NOUN
eurjchem-2196	125	10	12	12	NUM
eurjchem-2196	125	11	(	(	PUNCT
eurjchem-2196	125	12	4	4	NUM
eurjchem-2196	125	13	)	)	PUNCT
eurjchem-2196	125	14	(	(	PUNCT
eurjchem-2196	125	15	2021	2021	NUM
eurjchem-2196	125	16	)	)	PUNCT
eurjchem-2196	125	17	439	439	NUM
eurjchem-2196	125	18	-	-	SYM
eurjchem-2196	125	19	449	449	NUM
eurjchem-2196	125	20	443	443	NUM
eurjchem-2196	125	21	2021	2021	NUM
eurjchem-2196	125	22	–	–	PUNCT
eurjchem-2196	125	23	european	european	ADJ
eurjchem-2196	125	24	journal	journal	NOUN
eurjchem-2196	125	25	of	of	ADP
eurjchem-2196	125	26	chemistry	chemistry	NOUN
eurjchem-2196	125	27	–	–	PUNCT
eurjchem-2196	125	28	cc	cc	NOUN
eurjchem-2196	125	29	by	by	ADP
eurjchem-2196	125	30	nc	nc	PROPN
eurjchem-2196	125	31	–	–	PUNCT
eurjchem-2196	125	32	doi	doi	PROPN
eurjchem-2196	125	33	:	:	PUNCT
eurjchem-2196	125	34	10.5155	10.5155	NUM
eurjchem-2196	125	35	/	/	SYM
eurjchem-2196	125	36	eurjchem.12.4.439	eurjchem.12.4.439	NOUN
eurjchem-2196	125	37	-	-	PUNCT
eurjchem-2196	125	38	449.2196	449.2196	NUM
eurjchem-2196	125	39	table	table	NOUN
eurjchem-2196	125	40	5	5	NUM
eurjchem-2196	125	41	.	.	PUNCT
eurjchem-2196	125	42	calculated	calculate	VERB
eurjchem-2196	125	43	energy	energy	NOUN
eurjchem-2196	125	44	values	value	NOUN
eurjchem-2196	125	45	and	and	CCONJ
eurjchem-2196	125	46	quantum	quantum	ADJ
eurjchem-2196	125	47	molecular	molecular	ADJ
eurjchem-2196	125	48	descriptors	descriptor	NOUN
eurjchem-2196	125	49	of	of	ADP
eurjchem-2196	125	50	the	the	DET
eurjchem-2196	125	51	title	title	NOUN
eurjchem-2196	125	52	compound	compound	NOUN
eurjchem-2196	125	53	.	.	PUNCT
eurjchem-2196	126	1	parameters	parameter	NOUN
eurjchem-2196	126	2	values	value	VERB
eurjchem-2196	126	3	scf	scf	VERB
eurjchem-2196	126	4	energy	energy	NOUN
eurjchem-2196	126	5	(	(	PUNCT
eurjchem-2196	126	6	a.u	a.u	PROPN
eurjchem-2196	126	7	.	.	PUNCT
eurjchem-2196	126	8	)	)	PUNCT
eurjchem-2196	127	1	-1587.13	-1587.13	PROPN
eurjchem-2196	127	2	total	total	ADJ
eurjchem-2196	127	3	energy	energy	NOUN
eurjchem-2196	127	4	(	(	PUNCT
eurjchem-2196	127	5	thermal	thermal	ADJ
eurjchem-2196	127	6	)	)	PUNCT
eurjchem-2196	127	7	etotal	etotal	NOUN
eurjchem-2196	127	8	(	(	PUNCT
eurjchem-2196	127	9	kcal	kcal	PROPN
eurjchem-2196	127	10	/	/	SYM
eurjchem-2196	127	11	mol	mol	NOUN
eurjchem-2196	127	12	)	)	PUNCT
eurjchem-2196	127	13	195.16	195.16	NUM
eurjchem-2196	127	14	heat	heat	NOUN
eurjchem-2196	127	15	capacity	capacity	NOUN
eurjchem-2196	127	16	at	at	ADP
eurjchem-2196	127	17	const	const	PROPN
eurjchem-2196	127	18	.	.	PUNCT
eurjchem-2196	128	1	volume	volume	NOUN
eurjchem-2196	128	2	,	,	PUNCT
eurjchem-2196	128	3	cv	cv	PROPN
eurjchem-2196	128	4	(	(	PUNCT
eurjchem-2196	128	5	cal	cal	PROPN
eurjchem-2196	128	6	/	/	SYM
eurjchem-2196	128	7	mol.k	mol.k	NOUN
eurjchem-2196	128	8	)	)	PUNCT
eurjchem-2196	128	9	67.377	67.377	NUM
eurjchem-2196	128	10	vibrational	vibrational	ADJ
eurjchem-2196	128	11	energy	energy	NOUN
eurjchem-2196	128	12	,	,	PUNCT
eurjchem-2196	128	13	evib	evib	ADV
eurjchem-2196	128	14	(	(	PUNCT
eurjchem-2196	128	15	kcal	kcal	NOUN
eurjchem-2196	128	16	/	/	SYM
eurjchem-2196	128	17	mol	mol	NOUN
eurjchem-2196	128	18	)	)	PUNCT
eurjchem-2196	128	19	193.383	193.383	NUM
eurjchem-2196	128	20	zero	zero	NUM
eurjchem-2196	128	21	-	-	PUNCT
eurjchem-2196	128	22	point	point	NOUN
eurjchem-2196	128	23	vibrational	vibrational	ADJ
eurjchem-2196	128	24	energy	energy	NOUN
eurjchem-2196	128	25	,	,	PUNCT
eurjchem-2196	128	26	eo	eo	PROPN
eurjchem-2196	128	27	(	(	PUNCT
eurjchem-2196	128	28	kcal	kcal	PROPN
eurjchem-2196	128	29	/	/	SYM
eurjchem-2196	128	30	mol	mol	NOUN
eurjchem-2196	128	31	)	)	PUNCT
eurjchem-2196	128	32	184.102	184.102	NUM
eurjchem-2196	128	33	entropy	entropy	NOUN
eurjchem-2196	128	34	(	(	PUNCT
eurjchem-2196	128	35	cal	cal	PROPN
eurjchem-2196	128	36	/	/	SYM
eurjchem-2196	128	37	mol.k	mol.k	NOUN
eurjchem-2196	128	38	)	)	PUNCT
eurjchem-2196	128	39	translational	translational	ADJ
eurjchem-2196	128	40	42.954	42.954	NUM
eurjchem-2196	128	41	rotational	rotational	ADJ
eurjchem-2196	128	42	34.633	34.633	NUM
eurjchem-2196	128	43	vibrational	vibrational	NOUN
eurjchem-2196	128	44	63.660	63.660	NUM
eurjchem-2196	128	45	total	total	ADJ
eurjchem-2196	128	46	141.247	141.247	NUM
eurjchem-2196	128	47	rotational	rotational	ADJ
eurjchem-2196	128	48	constant	constant	ADJ
eurjchem-2196	128	49	(	(	PUNCT
eurjchem-2196	128	50	ghz	ghz	NOUN
eurjchem-2196	128	51	)	)	PUNCT
eurjchem-2196	128	52	a	a	DET
eurjchem-2196	128	53	0.62251	0.62251	NUM
eurjchem-2196	128	54	b	b	NOUN
eurjchem-2196	128	55	0.14267	0.14267	NUM
eurjchem-2196	128	56	c	c	NOUN
eurjchem-2196	128	57	0.12408	0.12408	NUM
eurjchem-2196	128	58	dipole	dipole	NOUN
eurjchem-2196	128	59	moment	moment	NOUN
eurjchem-2196	128	60	(	(	PUNCT
eurjchem-2196	128	61	debye	debye	ADV
eurjchem-2196	128	62	)	)	PUNCT
eurjchem-2196	128	63	µx	µx	VERB
eurjchem-2196	128	64	-2.2665	-2.2665	NOUN
eurjchem-2196	128	65	µy	µy	CCONJ
eurjchem-2196	128	66	-0.5163	-0.5163	NOUN
eurjchem-2196	128	67	µz	µz	PROPN
eurjchem-2196	128	68	1.0532	1.0532	NUM
eurjchem-2196	128	69	µtotal	µtotal	ADJ
eurjchem-2196	128	70	2.5520	2.5520	NUM
eurjchem-2196	128	71	lumo	lumo	NOUN
eurjchem-2196	128	72	energy	energy	NOUN
eurjchem-2196	128	73	(	(	PUNCT
eurjchem-2196	128	74	ev	ev	NOUN
eurjchem-2196	128	75	)	)	PUNCT
eurjchem-2196	128	76	-2.1701	-2.1701	NOUN
eurjchem-2196	128	77	homo	homo	NOUN
eurjchem-2196	128	78	energy	energy	NOUN
eurjchem-2196	128	79	(	(	PUNCT
eurjchem-2196	128	80	ev	ev	NOUN
eurjchem-2196	128	81	)	)	PUNCT
eurjchem-2196	128	82	-5.7100	-5.7100	PROPN
eurjchem-2196	128	83	energy	energy	NOUN
eurjchem-2196	128	84	gap	gap	NOUN
eurjchem-2196	128	85	(	(	PUNCT
eurjchem-2196	128	86	ev	ev	NOUN
eurjchem-2196	128	87	)	)	PUNCT
eurjchem-2196	128	88	3.5399	3.5399	NUM
eurjchem-2196	128	89	ionization	ionization	NOUN
eurjchem-2196	128	90	potential	potential	NOUN
eurjchem-2196	128	91	(	(	PUNCT
eurjchem-2196	128	92	ev	ev	INTJ
eurjchem-2196	128	93	)	)	PUNCT
eurjchem-2196	128	94	5.7100	5.7100	NUM
eurjchem-2196	128	95	electron	electron	NOUN
eurjchem-2196	128	96	affinity	affinity	NOUN
eurjchem-2196	128	97	(	(	PUNCT
eurjchem-2196	128	98	ev	ev	ADJ
eurjchem-2196	128	99	)	)	PUNCT
eurjchem-2196	128	100	2.1701	2.1701	NUM
eurjchem-2196	128	101	chemical	chemical	NOUN
eurjchem-2196	128	102	hardness	hardness	NOUN
eurjchem-2196	128	103	(	(	PUNCT
eurjchem-2196	128	104	ev	ev	NOUN
eurjchem-2196	128	105	)	)	PUNCT
eurjchem-2196	128	106	1.7700	1.7700	NUM
eurjchem-2196	128	107	global	global	ADJ
eurjchem-2196	128	108	softness	softness	NOUN
eurjchem-2196	128	109	(	(	PUNCT
eurjchem-2196	128	110	1	1	NUM
eurjchem-2196	128	111	/	/	SYM
eurjchem-2196	128	112	ev	ev	VERB
eurjchem-2196	128	113	)	)	PUNCT
eurjchem-2196	128	114	0.2825	0.2825	NUM
eurjchem-2196	128	115	electronegativity	electronegativity	NOUN
eurjchem-2196	128	116	(	(	PUNCT
eurjchem-2196	128	117	ev	ev	ADJ
eurjchem-2196	128	118	)	)	PUNCT
eurjchem-2196	128	119	3.9401	3.9401	NUM
eurjchem-2196	128	120	chemical	chemical	NOUN
eurjchem-2196	128	121	potential	potential	NOUN
eurjchem-2196	128	122	(	(	PUNCT
eurjchem-2196	128	123	ev	ev	INTJ
eurjchem-2196	128	124	)	)	PUNCT
eurjchem-2196	128	125	-3.9401	-3.9401	NOUN
eurjchem-2196	129	1	electrophilicity	electrophilicity	NOUN
eurjchem-2196	129	2	(	(	PUNCT
eurjchem-2196	129	3	ev	ev	ADJ
eurjchem-2196	129	4	)	)	PUNCT
eurjchem-2196	129	5	4.3854	4.3854	NUM
eurjchem-2196	129	6	elumo	elumo	ADJ
eurjchem-2196	129	7	=	=	SYM
eurjchem-2196	129	8	-2.1701	-2.1701	NOUN
eurjchem-2196	129	9	ev	ev	ADP
eurjchem-2196	129	10	↕	↕	PROPN
eurjchem-2196	129	11	∆e	∆e	PROPN
eurjchem-2196	129	12	=	=	PUNCT
eurjchem-2196	129	13	3.5399	3.5399	NUM
eurjchem-2196	129	14	ev	ev	INTJ
eurjchem-2196	129	15	ehomo	ehomo	NOUN
eurjchem-2196	129	16	=	=	SYM
eurjchem-2196	129	17	-5.7100	-5.7100	PROPN
eurjchem-2196	129	18	ev	ev	INTJ
eurjchem-2196	129	19	figure	figure	NOUN
eurjchem-2196	129	20	6	6	NUM
eurjchem-2196	129	21	.	.	PUNCT
eurjchem-2196	129	22	homo	homo	NOUN
eurjchem-2196	129	23	-	-	PUNCT
eurjchem-2196	129	24	lumo	lumo	NOUN
eurjchem-2196	129	25	energy	energy	NOUN
eurjchem-2196	129	26	levels	level	NOUN
eurjchem-2196	129	27	and	and	CCONJ
eurjchem-2196	129	28	energy	energy	NOUN
eurjchem-2196	129	29	gap	gap	NOUN
eurjchem-2196	129	30	of	of	ADP
eurjchem-2196	129	31	the	the	DET
eurjchem-2196	129	32	title	title	NOUN
eurjchem-2196	129	33	compound	compound	NOUN
eurjchem-2196	129	34	.	.	PUNCT
eurjchem-2196	130	1	in	in	ADP
eurjchem-2196	130	2	addition	addition	NOUN
eurjchem-2196	130	3	,	,	PUNCT
eurjchem-2196	130	4	the	the	DET
eurjchem-2196	130	5	global	global	ADJ
eurjchem-2196	130	6	chemical	chemical	NOUN
eurjchem-2196	130	7	reactivity	reactivity	NOUN
eurjchem-2196	130	8	descriptors	descriptor	NOUN
eurjchem-2196	130	9	enable	enable	VERB
eurjchem-2196	130	10	us	we	PRON
eurjchem-2196	130	11	to	to	PART
eurjchem-2196	130	12	know	know	VERB
eurjchem-2196	130	13	the	the	DET
eurjchem-2196	130	14	chemical	chemical	NOUN
eurjchem-2196	130	15	properties	property	NOUN
eurjchem-2196	130	16	of	of	ADP
eurjchem-2196	130	17	the	the	DET
eurjchem-2196	130	18	title	title	NOUN
eurjchem-2196	130	19	compound	compound	NOUN
eurjchem-2196	130	20	.	.	PUNCT
eurjchem-2196	131	1	therefore	therefore	ADV
eurjchem-2196	131	2	,	,	PUNCT
eurjchem-2196	131	3	dft	dft	PROPN
eurjchem-2196	131	4	/	/	SYM
eurjchem-2196	131	5	b3lyp/6	b3lyp/6	PROPN
eurjchem-2196	131	6	-	-	NOUN
eurjchem-2196	131	7	311g(d	311g(d	NUM
eurjchem-2196	131	8	,	,	PUNCT
eurjchem-2196	131	9	p	p	NOUN
eurjchem-2196	131	10	)	)	PUNCT
eurjchem-2196	131	11	platform	platform	NOUN
eurjchem-2196	131	12	was	be	AUX
eurjchem-2196	131	13	used	use	VERB
eurjchem-2196	131	14	to	to	PART
eurjchem-2196	131	15	obtain	obtain	VERB
eurjchem-2196	131	16	the	the	DET
eurjchem-2196	131	17	quantum	quantum	ADJ
eurjchem-2196	131	18	mechanical	mechanical	ADJ
eurjchem-2196	131	19	molecular	molecular	ADJ
eurjchem-2196	131	20	energy	energy	NOUN
eurjchem-2196	131	21	data	datum	NOUN
eurjchem-2196	131	22	and	and	CCONJ
eurjchem-2196	131	23	the	the	DET
eurjchem-2196	131	24	data	datum	NOUN
eurjchem-2196	131	25	obtained	obtain	VERB
eurjchem-2196	131	26	are	be	AUX
eurjchem-2196	131	27	incorporated	incorporate	VERB
eurjchem-2196	131	28	in	in	ADP
eurjchem-2196	131	29	table	table	NOUN
eurjchem-2196	131	30	5	5	NUM
eurjchem-2196	131	31	.	.	PUNCT
eurjchem-2196	132	1	the	the	DET
eurjchem-2196	132	2	frontier	frontier	NOUN
eurjchem-2196	132	3	molecular	molecular	ADJ
eurjchem-2196	132	4	orbitals	orbital	NOUN
eurjchem-2196	132	5	highest	highest	ADV
eurjchem-2196	132	6	occupied	occupy	VERB
eurjchem-2196	132	7	molecular	molecular	ADJ
eurjchem-2196	132	8	orbital	orbital	ADJ
eurjchem-2196	132	9	(	(	PUNCT
eurjchem-2196	132	10	homo	homo	NOUN
eurjchem-2196	132	11	)	)	PUNCT
eurjchem-2196	132	12	and	and	CCONJ
eurjchem-2196	132	13	lowest	low	ADJ
eurjchem-2196	132	14	unoccupied	unoccupied	ADJ
eurjchem-2196	132	15	molecular	molecular	ADJ
eurjchem-2196	132	16	orbital	orbital	ADJ
eurjchem-2196	132	17	(	(	PUNCT
eurjchem-2196	132	18	lumo	lumo	NOUN
eurjchem-2196	132	19	)	)	PUNCT
eurjchem-2196	132	20	of	of	ADP
eurjchem-2196	132	21	the	the	DET
eurjchem-2196	132	22	title	title	NOUN
eurjchem-2196	132	23	compound	compound	NOUN
eurjchem-2196	132	24	were	be	AUX
eurjchem-2196	132	25	generated	generate	VERB
eurjchem-2196	132	26	.	.	PUNCT
eurjchem-2196	133	1	the	the	DET
eurjchem-2196	133	2	energy	energy	NOUN
eurjchem-2196	133	3	gap	gap	NOUN
eurjchem-2196	133	4	between	between	ADP
eurjchem-2196	133	5	the	the	DET
eurjchem-2196	133	6	molecular	molecular	ADJ
eurjchem-2196	133	7	orbitals	orbital	NOUN
eurjchem-2196	133	8	describes	describe	VERB
eurjchem-2196	133	9	the	the	DET
eurjchem-2196	133	10	chemical	chemical	NOUN
eurjchem-2196	133	11	reactivity	reactivity	NOUN
eurjchem-2196	133	12	and	and	CCONJ
eurjchem-2196	133	13	chemical	chemical	NOUN
eurjchem-2196	133	14	stability	stability	NOUN
eurjchem-2196	133	15	of	of	ADP
eurjchem-2196	133	16	the	the	DET
eurjchem-2196	133	17	related	related	ADJ
eurjchem-2196	133	18	molecule	molecule	NOUN
eurjchem-2196	133	19	.	.	PUNCT
eurjchem-2196	134	1	it	it	PRON
eurjchem-2196	134	2	is	be	AUX
eurjchem-2196	134	3	clear	clear	ADJ
eurjchem-2196	134	4	that	that	SCONJ
eurjchem-2196	134	5	a	a	DET
eurjchem-2196	134	6	molecule	molecule	NOUN
eurjchem-2196	134	7	with	with	ADP
eurjchem-2196	134	8	a	a	DET
eurjchem-2196	134	9	low	low	ADJ
eurjchem-2196	134	10	-	-	PUNCT
eurjchem-2196	134	11	energy	energy	NOUN
eurjchem-2196	134	12	gap	gap	NOUN
eurjchem-2196	134	13	is	be	AUX
eurjchem-2196	134	14	expected	expect	VERB
eurjchem-2196	134	15	to	to	PART
eurjchem-2196	134	16	be	be	AUX
eurjchem-2196	134	17	more	more	ADV
eurjchem-2196	134	18	polarizable	polarizable	ADJ
eurjchem-2196	134	19	and	and	CCONJ
eurjchem-2196	134	20	associated	associate	VERB
eurjchem-2196	134	21	with	with	ADP
eurjchem-2196	134	22	a	a	DET
eurjchem-2196	134	23	high	high	ADJ
eurjchem-2196	134	24	chemical	chemical	NOUN
eurjchem-2196	134	25	reactivity	reactivity	NOUN
eurjchem-2196	134	26	[	[	X
eurjchem-2196	134	27	61	61	NUM
eurjchem-2196	134	28	]	]	PUNCT
eurjchem-2196	134	29	.	.	PUNCT
eurjchem-2196	135	1	the	the	DET
eurjchem-2196	135	2	molecular	molecular	ADJ
eurjchem-2196	135	3	orbitals	orbital	NOUN
eurjchem-2196	135	4	homo	homo	NOUN
eurjchem-2196	135	5	and	and	CCONJ
eurjchem-2196	135	6	lumo	lumo	NOUN
eurjchem-2196	135	7	with	with	ADP
eurjchem-2196	135	8	the	the	DET
eurjchem-2196	135	9	energy	energy	NOUN
eurjchem-2196	135	10	gap	gap	NOUN
eurjchem-2196	135	11	for	for	ADP
eurjchem-2196	135	12	the	the	DET
eurjchem-2196	135	13	title	title	NOUN
eurjchem-2196	135	14	compound	compound	NOUN
eurjchem-2196	135	15	are	be	AUX
eurjchem-2196	135	16	shown	show	VERB
eurjchem-2196	135	17	in	in	ADP
eurjchem-2196	135	18	figure	figure	NOUN
eurjchem-2196	135	19	6	6	NUM
eurjchem-2196	135	20	.	.	PUNCT
eurjchem-2196	136	1	the	the	DET
eurjchem-2196	136	2	estimated	estimate	VERB
eurjchem-2196	136	3	energy	energy	NOUN
eurjchem-2196	136	4	gap	gap	NOUN
eurjchem-2196	136	5	(	(	PUNCT
eurjchem-2196	136	6	δe	δe	NOUN
eurjchem-2196	136	7	)	)	PUNCT
eurjchem-2196	136	8	between	between	ADP
eurjchem-2196	136	9	the	the	DET
eurjchem-2196	136	10	homo	homo	NOUN
eurjchem-2196	136	11	and	and	CCONJ
eurjchem-2196	136	12	lumo	lumo	NOUN
eurjchem-2196	136	13	energies	energy	NOUN
eurjchem-2196	136	14	levels	level	NOUN
eurjchem-2196	136	15	of	of	ADP
eurjchem-2196	136	16	the	the	DET
eurjchem-2196	136	17	title	title	NOUN
eurjchem-2196	136	18	compound	compound	NOUN
eurjchem-2196	136	19	is	be	AUX
eurjchem-2196	136	20	3.5399	3.5399	NUM
eurjchem-2196	136	21	ev	ev	NOUN
eurjchem-2196	136	22	,	,	PUNCT
eurjchem-2196	136	23	which	which	PRON
eurjchem-2196	136	24	implies	imply	VERB
eurjchem-2196	136	25	that	that	SCONJ
eurjchem-2196	136	26	the	the	DET
eurjchem-2196	136	27	molecule	molecule	NOUN
eurjchem-2196	136	28	is	be	AUX
eurjchem-2196	136	29	more	more	ADV
eurjchem-2196	136	30	chemically	chemically	ADV
eurjchem-2196	136	31	reactive	reactive	ADJ
eurjchem-2196	136	32	and	and	CCONJ
eurjchem-2196	136	33	unstable	unstable	ADJ
eurjchem-2196	136	34	.	.	PUNCT
eurjchem-2196	137	1	in	in	ADP
eurjchem-2196	137	2	addition	addition	NOUN
eurjchem-2196	137	3	,	,	PUNCT
eurjchem-2196	137	4	this	this	DET
eurjchem-2196	137	5	lower	low	ADJ
eurjchem-2196	137	6	energy	energy	NOUN
eurjchem-2196	137	7	gap	gap	NOUN
eurjchem-2196	137	8	explains	explain	VERB
eurjchem-2196	137	9	the	the	DET
eurjchem-2196	137	10	easy	easy	ADJ
eurjchem-2196	137	11	transfer	transfer	NOUN
eurjchem-2196	137	12	of	of	ADP
eurjchem-2196	137	13	electrons	electron	NOUN
eurjchem-2196	137	14	taking	take	VERB
eurjchem-2196	137	15	place	place	NOUN
eurjchem-2196	137	16	within	within	ADP
eurjchem-2196	137	17	the	the	DET
eurjchem-2196	137	18	title	title	NOUN
eurjchem-2196	137	19	molecule	molecule	NOUN
eurjchem-2196	137	20	.	.	PUNCT
eurjchem-2196	138	1	hirshfeld	hirshfeld	PROPN
eurjchem-2196	138	2	surface	surface	NOUN
eurjchem-2196	138	3	analysis	analysis	NOUN
eurjchem-2196	138	4	has	have	AUX
eurjchem-2196	138	5	been	be	AUX
eurjchem-2196	138	6	conducted	conduct	VERB
eurjchem-2196	138	7	to	to	PART
eurjchem-2196	138	8	verify	verify	VERB
eurjchem-2196	138	9	the	the	DET
eurjchem-2196	138	10	contributions	contribution	NOUN
eurjchem-2196	138	11	of	of	ADP
eurjchem-2196	138	12	different	different	ADJ
eurjchem-2196	138	13	intermolecular	intermolecular	ADJ
eurjchem-2196	138	14	interactions	interaction	NOUN
eurjchem-2196	138	15	in	in	ADP
eurjchem-2196	138	16	forming	form	VERB
eurjchem-2196	138	17	supramolecular	supramolecular	ADJ
eurjchem-2196	138	18	structure	structure	NOUN
eurjchem-2196	138	19	.	.	PUNCT
eurjchem-2196	139	1	the	the	DET
eurjchem-2196	139	2	intermolecular	intermolecular	ADJ
eurjchem-2196	139	3	interactions	interaction	NOUN
eurjchem-2196	139	4	in	in	ADP
eurjchem-2196	139	5	the	the	DET
eurjchem-2196	139	6	re	re	ADJ
eurjchem-2196	139	7	-	-	ADJ
eurjchem-2196	139	8	refined	refined	ADJ
eurjchem-2196	139	9	crystal	crystal	NOUN
eurjchem-2196	139	10	structure	structure	NOUN
eurjchem-2196	139	11	of	of	ADP
eurjchem-2196	139	12	the	the	DET
eurjchem-2196	139	13	title	title	NOUN
eurjchem-2196	139	14	compound	compound	NOUN
eurjchem-2196	139	15	have	have	AUX
eurjchem-2196	139	16	been	be	AUX
eurjchem-2196	139	17	examined	examine	VERB
eurjchem-2196	139	18	using	use	VERB
eurjchem-2196	139	19	hirshfeld	hirshfeld	PROPN
eurjchem-2196	139	20	surface	surface	NOUN
eurjchem-2196	139	21	analysis	analysis	NOUN
eurjchem-2196	139	22	and	and	CCONJ
eurjchem-2196	139	23	fingerprint	fingerprint	NOUN
eurjchem-2196	139	24	plots	plot	NOUN
eurjchem-2196	139	25	utilizing	utilize	VERB
eurjchem-2196	139	26	crystal	crystal	NOUN
eurjchem-2196	139	27	explorer	explorer	NOUN
eurjchem-2196	139	28	17.5	17.5	NUM
eurjchem-2196	140	1	[	[	X
eurjchem-2196	140	2	47	47	NUM
eurjchem-2196	140	3	]	]	PUNCT
eurjchem-2196	140	4	.	.	PUNCT
eurjchem-2196	141	1	fingerprint	fingerprint	NOUN
eurjchem-2196	141	2	plots	plot	NOUN
eurjchem-2196	141	3	with	with	ADP
eurjchem-2196	141	4	dnorm	dnorm	NOUN
eurjchem-2196	141	5	surfaces	surface	NOUN
eurjchem-2196	141	6	(	(	PUNCT
eurjchem-2196	141	7	where	where	SCONJ
eurjchem-2196	141	8	dnorm	dnorm	NOUN
eurjchem-2196	141	9	=	=	SYM
eurjchem-2196	141	10	di	di	NOUN
eurjchem-2196	141	11	+	+	CCONJ
eurjchem-2196	141	12	de	de	NOUN
eurjchem-2196	141	13	)	)	PUNCT
eurjchem-2196	141	14	for	for	ADP
eurjchem-2196	141	15	all	all	DET
eurjchem-2196	141	16	intermolecular	intermolecular	ADJ
eurjchem-2196	141	17	contacts	contact	NOUN
eurjchem-2196	141	18	,	,	PUNCT
eurjchem-2196	141	19	and	and	CCONJ
eurjchem-2196	141	20	the	the	DET
eurjchem-2196	141	21	intermolecular	intermolecular	ADJ
eurjchem-2196	141	22	energies	energy	NOUN
eurjchem-2196	141	23	of	of	ADP
eurjchem-2196	141	24	the	the	DET
eurjchem-2196	141	25	molecular	molecular	ADJ
eurjchem-2196	141	26	pairs	pair	NOUN
eurjchem-2196	141	27	in	in	ADP
eurjchem-2196	141	28	the	the	DET
eurjchem-2196	141	29	crystal	crystal	NOUN
eurjchem-2196	141	30	packing	packing	NOUN
eurjchem-2196	141	31	were	be	AUX
eurjchem-2196	141	32	calculated	calculate	VERB
eurjchem-2196	141	33	with	with	ADP
eurjchem-2196	141	34	molecular	molecular	ADJ
eurjchem-2196	141	35	wavefunction	wavefunction	NOUN
eurjchem-2196	141	36	at	at	ADP
eurjchem-2196	141	37	the	the	DET
eurjchem-2196	141	38	b3lyp/6	b3lyp/6	NOUN
eurjchem-2196	141	39	-	-	NOUN
eurjchem-2196	141	40	311g(d	311g(d	NUM
eurjchem-2196	141	41	,	,	PUNCT
eurjchem-2196	141	42	p	p	NOUN
eurjchem-2196	141	43	)	)	PUNCT
eurjchem-2196	141	44	level	level	NOUN
eurjchem-2196	141	45	of	of	ADP
eurjchem-2196	141	46	theory	theory	NOUN
eurjchem-2196	141	47	,	,	PUNCT
eurjchem-2196	141	48	cluster	cluster	NOUN
eurjchem-2196	141	49	of	of	ADP
eurjchem-2196	141	50	radius	radius	NOUN
eurjchem-2196	141	51	3.8	3.8	NUM
eurjchem-2196	141	52	å	å	NOUN
eurjchem-2196	141	53	around	around	ADP
eurjchem-2196	141	54	the	the	DET
eurjchem-2196	141	55	molecule	molecule	NOUN
eurjchem-2196	141	56	.	.	PUNCT
eurjchem-2196	142	1	444	444	NUM
eurjchem-2196	142	2	ozer	ozer	NOUN
eurjchem-2196	142	3	et	et	PROPN
eurjchem-2196	142	4	al	al	PROPN
eurjchem-2196	142	5	.	.	PUNCT
eurjchem-2196	142	6	/	/	SYM
eurjchem-2196	142	7	european	european	PROPN
eurjchem-2196	142	8	journal	journal	PROPN
eurjchem-2196	142	9	of	of	ADP
eurjchem-2196	142	10	chemistry	chemistry	NOUN
eurjchem-2196	142	11	12	12	NUM
eurjchem-2196	142	12	(	(	PUNCT
eurjchem-2196	142	13	4	4	NUM
eurjchem-2196	142	14	)	)	PUNCT
eurjchem-2196	142	15	(	(	PUNCT
eurjchem-2196	142	16	2021	2021	NUM
eurjchem-2196	142	17	)	)	PUNCT
eurjchem-2196	142	18	439	439	NUM
eurjchem-2196	142	19	-	-	SYM
eurjchem-2196	142	20	449	449	NUM
eurjchem-2196	142	21	2021	2021	NUM
eurjchem-2196	142	22	–	–	PUNCT
eurjchem-2196	142	23	european	european	ADJ
eurjchem-2196	142	24	journal	journal	NOUN
eurjchem-2196	142	25	of	of	ADP
eurjchem-2196	142	26	chemistry	chemistry	NOUN
eurjchem-2196	142	27	–	–	PUNCT
eurjchem-2196	142	28	cc	cc	NOUN
eurjchem-2196	142	29	by	by	ADP
eurjchem-2196	142	30	nc	nc	PROPN
eurjchem-2196	142	31	–	–	PUNCT
eurjchem-2196	142	32	doi	doi	PROPN
eurjchem-2196	142	33	:	:	PUNCT
eurjchem-2196	142	34	10.5155	10.5155	NUM
eurjchem-2196	142	35	/	/	SYM
eurjchem-2196	142	36	eurjchem.12.4.439	eurjchem.12.4.439	NOUN
eurjchem-2196	142	37	-	-	PUNCT
eurjchem-2196	142	38	449.2196	449.2196	PROPN
eurjchem-2196	142	39	(	(	PUNCT
eurjchem-2196	142	40	a	a	NOUN
eurjchem-2196	142	41	)	)	PUNCT
eurjchem-2196	142	42	(	(	PUNCT
eurjchem-2196	142	43	b	b	X
eurjchem-2196	142	44	)	)	PUNCT
eurjchem-2196	142	45	(	(	PUNCT
eurjchem-2196	142	46	c	c	X
eurjchem-2196	142	47	)	)	PUNCT
eurjchem-2196	142	48	(	(	PUNCT
eurjchem-2196	142	49	d	d	X
eurjchem-2196	142	50	)	)	PUNCT
eurjchem-2196	142	51	(	(	PUNCT
eurjchem-2196	142	52	e	e	NOUN
eurjchem-2196	142	53	)	)	PUNCT
eurjchem-2196	142	54	(	(	PUNCT
eurjchem-2196	142	55	f	f	X
eurjchem-2196	142	56	)	)	PUNCT
eurjchem-2196	142	57	figure	figure	NOUN
eurjchem-2196	142	58	7	7	NUM
eurjchem-2196	142	59	.	.	PUNCT
eurjchem-2196	142	60	hirshfeld	hirshfeld	PROPN
eurjchem-2196	142	61	surfaces	surface	NOUN
eurjchem-2196	142	62	mapped	map	VERB
eurjchem-2196	142	63	with	with	ADP
eurjchem-2196	142	64	dnorm	dnorm	NOUN
eurjchem-2196	142	65	(	(	PUNCT
eurjchem-2196	142	66	a	a	X
eurjchem-2196	142	67	)	)	PUNCT
eurjchem-2196	142	68	,	,	PUNCT
eurjchem-2196	142	69	de	de	X
eurjchem-2196	142	70	(	(	PUNCT
eurjchem-2196	142	71	b	b	NOUN
eurjchem-2196	142	72	)	)	PUNCT
eurjchem-2196	142	73	,	,	PUNCT
eurjchem-2196	142	74	di	di	X
eurjchem-2196	142	75	(	(	PUNCT
eurjchem-2196	142	76	c	c	NOUN
eurjchem-2196	142	77	)	)	PUNCT
eurjchem-2196	142	78	,	,	PUNCT
eurjchem-2196	142	79	shape	shape	NOUN
eurjchem-2196	142	80	index	index	NOUN
eurjchem-2196	142	81	(	(	PUNCT
eurjchem-2196	142	82	d	d	NOUN
eurjchem-2196	142	83	)	)	PUNCT
eurjchem-2196	142	84	,	,	PUNCT
eurjchem-2196	142	85	curvedness	curvedness	INTJ
eurjchem-2196	142	86	(	(	PUNCT
eurjchem-2196	142	87	e	e	NOUN
eurjchem-2196	142	88	)	)	PUNCT
eurjchem-2196	142	89	and	and	CCONJ
eurjchem-2196	142	90	fragment	fragment	ADJ
eurjchem-2196	142	91	patch	patch	NOUN
eurjchem-2196	142	92	(	(	PUNCT
eurjchem-2196	142	93	f	f	X
eurjchem-2196	142	94	)	)	PUNCT
eurjchem-2196	142	95	for	for	ADP
eurjchem-2196	142	96	the	the	DET
eurjchem-2196	142	97	title	title	NOUN
eurjchem-2196	142	98	compound	compound	NOUN
eurjchem-2196	142	99	.	.	PUNCT
eurjchem-2196	143	1	figure	figure	NOUN
eurjchem-2196	143	2	8	8	NUM
eurjchem-2196	143	3	.	.	PUNCT
eurjchem-2196	144	1	dnorm	dnorm	NOUN
eurjchem-2196	144	2	map	map	NOUN
eurjchem-2196	144	3	showing	show	VERB
eurjchem-2196	144	4	regions	region	NOUN
eurjchem-2196	144	5	intermolecular	intermolecular	ADJ
eurjchem-2196	144	6	contacts	contact	NOUN
eurjchem-2196	144	7	over	over	ADP
eurjchem-2196	144	8	the	the	DET
eurjchem-2196	144	9	title	title	NOUN
eurjchem-2196	144	10	compound	compound	NOUN
eurjchem-2196	144	11	.	.	PUNCT
eurjchem-2196	145	1	the	the	DET
eurjchem-2196	145	2	hirshfeld	hirshfeld	ADJ
eurjchem-2196	145	3	surfaces	surface	NOUN
eurjchem-2196	145	4	of	of	ADP
eurjchem-2196	145	5	the	the	DET
eurjchem-2196	145	6	title	title	NOUN
eurjchem-2196	145	7	compound	compound	NOUN
eurjchem-2196	145	8	have	have	AUX
eurjchem-2196	145	9	been	be	AUX
eurjchem-2196	145	10	mapped	map	VERB
eurjchem-2196	145	11	over	over	ADP
eurjchem-2196	145	12	dnorm	dnorm	NOUN
eurjchem-2196	145	13	,	,	PUNCT
eurjchem-2196	145	14	de	de	X
eurjchem-2196	145	15	,	,	PUNCT
eurjchem-2196	145	16	di	di	NOUN
eurjchem-2196	145	17	,	,	PUNCT
eurjchem-2196	145	18	shape	shape	NOUN
eurjchem-2196	145	19	index	index	NOUN
eurjchem-2196	145	20	,	,	PUNCT
eurjchem-2196	145	21	and	and	CCONJ
eurjchem-2196	145	22	curvedness	curvedness	ADJ
eurjchem-2196	145	23	(	(	PUNCT
eurjchem-2196	145	24	figure	figure	NOUN
eurjchem-2196	145	25	7	7	NUM
eurjchem-2196	145	26	)	)	PUNCT
eurjchem-2196	145	27	.	.	PUNCT
eurjchem-2196	146	1	the	the	DET
eurjchem-2196	146	2	dnorm	dnorm	NOUN
eurjchem-2196	146	3	value	value	NOUN
eurjchem-2196	146	4	is	be	AUX
eurjchem-2196	146	5	positive	positive	ADJ
eurjchem-2196	146	6	for	for	ADP
eurjchem-2196	146	7	longer	long	ADJ
eurjchem-2196	146	8	contacts	contact	NOUN
eurjchem-2196	146	9	(	(	PUNCT
eurjchem-2196	146	10	blue	blue	ADJ
eurjchem-2196	146	11	region	region	NOUN
eurjchem-2196	146	12	,	,	PUNCT
eurjchem-2196	146	13	dnorm	dnorm	NOUN
eurjchem-2196	146	14	>	>	X
eurjchem-2196	146	15	vdw	vdw	PROPN
eurjchem-2196	146	16	radii	radius	NOUN
eurjchem-2196	146	17	)	)	PUNCT
eurjchem-2196	146	18	,	,	PUNCT
eurjchem-2196	146	19	negative	negative	ADJ
eurjchem-2196	146	20	for	for	ADP
eurjchem-2196	146	21	shorter	short	ADJ
eurjchem-2196	146	22	contacts	contact	NOUN
eurjchem-2196	146	23	(	(	PUNCT
eurjchem-2196	146	24	red	red	ADJ
eurjchem-2196	146	25	regions	region	NOUN
eurjchem-2196	146	26	,	,	PUNCT
eurjchem-2196	146	27	dnorm	dnorm	VERB
eurjchem-2196	146	28	<	<	X
eurjchem-2196	146	29	vdw	vdw	NOUN
eurjchem-2196	146	30	radii	radii	NOUN
eurjchem-2196	146	31	)	)	PUNCT
eurjchem-2196	146	32	compared	compare	VERB
eurjchem-2196	146	33	to	to	ADP
eurjchem-2196	146	34	van	van	PROPN
eurjchem-2196	146	35	der	der	ADJ
eurjchem-2196	146	36	waals	waal	NOUN
eurjchem-2196	146	37	separation	separation	NOUN
eurjchem-2196	146	38	(	(	PUNCT
eurjchem-2196	146	39	white	white	ADJ
eurjchem-2196	146	40	regions	region	NOUN
eurjchem-2196	146	41	,	,	PUNCT
eurjchem-2196	146	42	dnorm	dnorm	NOUN
eurjchem-2196	146	43	=	=	SYM
eurjchem-2196	146	44	vdw	vdw	NOUN
eurjchem-2196	146	45	radii	radii	NOUN
eurjchem-2196	146	46	)	)	PUNCT
eurjchem-2196	146	47	.	.	PUNCT
eurjchem-2196	147	1	the	the	DET
eurjchem-2196	147	2	calculated	calculate	VERB
eurjchem-2196	147	3	molecular	molecular	ADJ
eurjchem-2196	147	4	hirshfeld	hirshfeld	PROPN
eurjchem-2196	147	5	surface	surface	NOUN
eurjchem-2196	147	6	area	area	NOUN
eurjchem-2196	147	7	is	be	AUX
eurjchem-2196	147	8	322.08	322.08	NUM
eurjchem-2196	147	9	å2	å2	NOUN
eurjchem-2196	147	10	,	,	PUNCT
eurjchem-2196	147	11	which	which	PRON
eurjchem-2196	147	12	encloses	enclose	VERB
eurjchem-2196	147	13	the	the	DET
eurjchem-2196	147	14	volume	volume	NOUN
eurjchem-2196	147	15	of	of	ADP
eurjchem-2196	147	16	345.22	345.22	NUM
eurjchem-2196	147	17	å3	å3	PROPN
eurjchem-2196	147	18	.	.	PUNCT
eurjchem-2196	148	1	other	other	ADJ
eurjchem-2196	148	2	calculated	calculate	VERB
eurjchem-2196	148	3	shape	shape	NOUN
eurjchem-2196	148	4	descriptors	descriptor	NOUN
eurjchem-2196	148	5	are	be	AUX
eurjchem-2196	148	6	globularity	globularity	NOUN
eurjchem-2196	148	7	g	g	NOUN
eurjchem-2196	148	8	=	=	PROPN
eurjchem-2196	148	9	0.739	0.739	NUM
eurjchem-2196	148	10	and	and	CCONJ
eurjchem-2196	148	11	asphericity	asphericity	NOUN
eurjchem-2196	148	12	ω	ω	NUM
eurjchem-2196	148	13	=	=	PROPN
eurjchem-2196	148	14	0.316	0.316	NUM
eurjchem-2196	148	15	.	.	PUNCT
eurjchem-2196	149	1	the	the	DET
eurjchem-2196	149	2	term	term	NOUN
eurjchem-2196	149	3	asphericity	asphericity	NOUN
eurjchem-2196	149	4	is	be	AUX
eurjchem-2196	149	5	a	a	DET
eurjchem-2196	149	6	measure	measure	NOUN
eurjchem-2196	149	7	of	of	ADP
eurjchem-2196	149	8	structural	structural	ADJ
eurjchem-2196	149	9	anisotropy	anisotropy	NOUN
eurjchem-2196	149	10	,	,	PUNCT
eurjchem-2196	149	11	and	and	CCONJ
eurjchem-2196	149	12	globularity	globularity	NOUN
eurjchem-2196	149	13	is	be	AUX
eurjchem-2196	149	14	found	find	VERB
eurjchem-2196	149	15	as	as	ADP
eurjchem-2196	149	16	<	<	X
eurjchem-2196	149	17	1	1	NUM
eurjchem-2196	149	18	,	,	PUNCT
eurjchem-2196	149	19	indicating	indicate	VERB
eurjchem-2196	149	20	that	that	SCONJ
eurjchem-2196	149	21	the	the	DET
eurjchem-2196	149	22	molecular	molecular	ADJ
eurjchem-2196	149	23	surface	surface	NOUN
eurjchem-2196	149	24	is	be	AUX
eurjchem-2196	149	25	more	more	ADV
eurjchem-2196	149	26	structured	structured	ADJ
eurjchem-2196	149	27	[	[	X
eurjchem-2196	149	28	62	62	NUM
eurjchem-2196	149	29	-	-	SYM
eurjchem-2196	149	30	64	64	NUM
eurjchem-2196	149	31	]	]	PUNCT
eurjchem-2196	149	32	.	.	PUNCT
eurjchem-2196	150	1	figure	figure	NOUN
eurjchem-2196	150	2	8	8	NUM
eurjchem-2196	150	3	displays	display	VERB
eurjchem-2196	150	4	semitransparent	semitransparent	ADJ
eurjchem-2196	150	5	dnorm	dnorm	NOUN
eurjchem-2196	150	6	-	-	PUNCT
eurjchem-2196	150	7	mapped	map	VERB
eurjchem-2196	150	8	the	the	DET
eurjchem-2196	150	9	hirshfeld	hirshfeld	PROPN
eurjchem-2196	150	10	surface	surface	NOUN
eurjchem-2196	150	11	for	for	ADP
eurjchem-2196	150	12	the	the	DET
eurjchem-2196	150	13	title	title	NOUN
eurjchem-2196	150	14	compound	compound	NOUN
eurjchem-2196	150	15	that	that	PRON
eurjchem-2196	150	16	form	form	VERB
eurjchem-2196	150	17	strong	strong	ADJ
eurjchem-2196	150	18	intermolecular	intermolecular	ADJ
eurjchem-2196	150	19	contacts	contact	NOUN
eurjchem-2196	150	20	.	.	PUNCT
eurjchem-2196	151	1	the	the	DET
eurjchem-2196	151	2	red	red	ADJ
eurjchem-2196	151	3	regions	region	NOUN
eurjchem-2196	151	4	in	in	ADP
eurjchem-2196	151	5	figure	figure	NOUN
eurjchem-2196	151	6	8	8	NUM
eurjchem-2196	151	7	are	be	AUX
eurjchem-2196	151	8	apparent	apparent	ADJ
eurjchem-2196	151	9	around	around	ADP
eurjchem-2196	151	10	the	the	DET
eurjchem-2196	151	11	sulphur	sulphur	NOUN
eurjchem-2196	151	12	atom	atom	NOUN
eurjchem-2196	151	13	participating	participate	VERB
eurjchem-2196	151	14	in	in	ADP
eurjchem-2196	151	15	the	the	DET
eurjchem-2196	151	16	c	c	NOUN
eurjchem-2196	151	17	-	-	PUNCT
eurjchem-2196	151	18	h···s	h···s	NOUN
eurjchem-2196	151	19	and	and	CCONJ
eurjchem-2196	151	20	n	n	CCONJ
eurjchem-2196	151	21	-	-	PUNCT
eurjchem-2196	151	22	h···s	h···s	NOUN
eurjchem-2196	151	23	contacts	contact	NOUN
eurjchem-2196	151	24	.	.	PUNCT
eurjchem-2196	152	1	the	the	DET
eurjchem-2196	152	2	2d	2d	PROPN
eurjchem-2196	152	3	fingerprint	fingerprint	NOUN
eurjchem-2196	152	4	plot	plot	NOUN
eurjchem-2196	152	5	provides	provide	VERB
eurjchem-2196	152	6	a	a	DET
eurjchem-2196	152	7	precise	precise	ADJ
eurjchem-2196	152	8	two	two	NUM
eurjchem-2196	152	9	-	-	PUNCT
eurjchem-2196	152	10	dimensional	dimensional	ADJ
eurjchem-2196	152	11	graphical	graphical	ADJ
eurjchem-2196	152	12	representation	representation	NOUN
eurjchem-2196	152	13	of	of	ADP
eurjchem-2196	152	14	the	the	DET
eurjchem-2196	152	15	intermolecular	intermolecular	ADJ
eurjchem-2196	152	16	interactions	interaction	NOUN
eurjchem-2196	152	17	in	in	ADP
eurjchem-2196	152	18	the	the	DET
eurjchem-2196	152	19	crystal	crystal	NOUN
eurjchem-2196	152	20	.	.	PUNCT
eurjchem-2196	153	1	the	the	DET
eurjchem-2196	153	2	contributions	contribution	NOUN
eurjchem-2196	153	3	from	from	ADP
eurjchem-2196	153	4	different	different	ADJ
eurjchem-2196	153	5	contacts	contact	NOUN
eurjchem-2196	153	6	to	to	ADP
eurjchem-2196	153	7	the	the	DET
eurjchem-2196	153	8	total	total	ADJ
eurjchem-2196	153	9	hirshfeld	hirshfeld	PROPN
eurjchem-2196	153	10	surface	surface	PROPN
eurjchem-2196	153	11	area	area	NOUN
eurjchem-2196	153	12	are	be	AUX
eurjchem-2196	153	13	h···h	h···h	PROPN
eurjchem-2196	153	14	(	(	PUNCT
eurjchem-2196	153	15	49.0	49.0	NUM
eurjchem-2196	153	16	%	%	NOUN
eurjchem-2196	153	17	)	)	PUNCT
eurjchem-2196	153	18	,	,	PUNCT
eurjchem-2196	153	19	h···c	h···c	PROPN
eurjchem-2196	153	20	/	/	SYM
eurjchem-2196	153	21	c···h	c···h	PROPN
eurjchem-2196	153	22	(	(	PUNCT
eurjchem-2196	153	23	12.5	12.5	NUM
eurjchem-2196	153	24	%	%	NOUN
eurjchem-2196	153	25	)	)	PUNCT
eurjchem-2196	153	26	,	,	PUNCT
eurjchem-2196	153	27	h···cl	h···cl	PROPN
eurjchem-2196	153	28	/	/	SYM
eurjchem-2196	153	29	cl···h	cl···h	PROPN
eurjchem-2196	153	30	(	(	PUNCT
eurjchem-2196	153	31	10.9	10.9	NUM
eurjchem-2196	153	32	%	%	NOUN
eurjchem-2196	153	33	)	)	PUNCT
eurjchem-2196	153	34	,	,	PUNCT
eurjchem-2196	153	35	h···s	h···s	NOUN
eurjchem-2196	153	36	/	/	SYM
eurjchem-2196	153	37	s···h	s···h	PROPN
eurjchem-2196	153	38	(	(	PUNCT
eurjchem-2196	153	39	10.0	10.0	NUM
eurjchem-2196	153	40	%	%	NOUN
eurjchem-2196	153	41	)	)	PUNCT
eurjchem-2196	153	42	,	,	PUNCT
eurjchem-2196	153	43	h···o	h···o	PROPN
eurjchem-2196	153	44	/	/	SYM
eurjchem-2196	153	45	o···h	o···h	PROPN
eurjchem-2196	153	46	(	(	PUNCT
eurjchem-2196	153	47	7.0	7.0	NUM
eurjchem-2196	153	48	%	%	NOUN
eurjchem-2196	153	49	)	)	PUNCT
eurjchem-2196	153	50	,	,	PUNCT
eurjchem-2196	153	51	and	and	CCONJ
eurjchem-2196	153	52	h···n	h···n	PROPN
eurjchem-2196	153	53	/	/	SYM
eurjchem-2196	153	54	n···h	n···h	PROPN
eurjchem-2196	153	55	(	(	PUNCT
eurjchem-2196	153	56	1.6	1.6	NUM
eurjchem-2196	153	57	%	%	NOUN
eurjchem-2196	153	58	)	)	PUNCT
eurjchem-2196	153	59	.	.	PUNCT
eurjchem-2196	154	1	the	the	DET
eurjchem-2196	154	2	general	general	ADJ
eurjchem-2196	154	3	contributions	contribution	NOUN
eurjchem-2196	154	4	of	of	ADP
eurjchem-2196	154	5	the	the	DET
eurjchem-2196	154	6	different	different	ADJ
eurjchem-2196	154	7	contacts	contact	NOUN
eurjchem-2196	154	8	to	to	ADP
eurjchem-2196	154	9	the	the	DET
eurjchem-2196	154	10	total	total	ADJ
eurjchem-2196	154	11	hirshfeld	hirshfeld	PROPN
eurjchem-2196	154	12	surface	surface	PROPN
eurjchem-2196	154	13	area	area	NOUN
eurjchem-2196	154	14	are	be	AUX
eurjchem-2196	154	15	shown	show	VERB
eurjchem-2196	154	16	in	in	ADP
eurjchem-2196	154	17	figure	figure	NOUN
eurjchem-2196	154	18	9	9	NUM
eurjchem-2196	154	19	.	.	PUNCT
eurjchem-2196	155	1	ozer	ozer	NOUN
eurjchem-2196	155	2	et	et	PROPN
eurjchem-2196	155	3	al	al	PROPN
eurjchem-2196	155	4	.	.	PUNCT
eurjchem-2196	155	5	/	/	SYM
eurjchem-2196	155	6	european	european	PROPN
eurjchem-2196	155	7	journal	journal	PROPN
eurjchem-2196	155	8	of	of	ADP
eurjchem-2196	155	9	chemistry	chemistry	NOUN
eurjchem-2196	155	10	12	12	NUM
eurjchem-2196	155	11	(	(	PUNCT
eurjchem-2196	155	12	4	4	NUM
eurjchem-2196	155	13	)	)	PUNCT
eurjchem-2196	155	14	(	(	PUNCT
eurjchem-2196	155	15	2021	2021	NUM
eurjchem-2196	155	16	)	)	PUNCT
eurjchem-2196	155	17	439	439	NUM
eurjchem-2196	155	18	-	-	SYM
eurjchem-2196	155	19	449	449	NUM
eurjchem-2196	155	20	445	445	NUM
eurjchem-2196	155	21	2021	2021	NUM
eurjchem-2196	155	22	–	–	PUNCT
eurjchem-2196	155	23	european	european	ADJ
eurjchem-2196	155	24	journal	journal	NOUN
eurjchem-2196	155	25	of	of	ADP
eurjchem-2196	155	26	chemistry	chemistry	NOUN
eurjchem-2196	155	27	–	–	PUNCT
eurjchem-2196	155	28	cc	cc	NOUN
eurjchem-2196	155	29	by	by	ADP
eurjchem-2196	155	30	nc	nc	PROPN
eurjchem-2196	155	31	–	–	PUNCT
eurjchem-2196	155	32	doi	doi	PROPN
eurjchem-2196	155	33	:	:	PUNCT
eurjchem-2196	155	34	10.5155	10.5155	NUM
eurjchem-2196	155	35	/	/	SYM
eurjchem-2196	155	36	eurjchem.12.4.439	eurjchem.12.4.439	NOUN
eurjchem-2196	155	37	-	-	PUNCT
eurjchem-2196	155	38	449.2196	449.2196	PROPN
eurjchem-2196	155	39	(	(	PUNCT
eurjchem-2196	155	40	a	a	NOUN
eurjchem-2196	155	41	)	)	PUNCT
eurjchem-2196	155	42	(	(	PUNCT
eurjchem-2196	155	43	b	b	X
eurjchem-2196	155	44	)	)	PUNCT
eurjchem-2196	155	45	(	(	PUNCT
eurjchem-2196	155	46	c	c	X
eurjchem-2196	155	47	)	)	PUNCT
eurjchem-2196	155	48	(	(	PUNCT
eurjchem-2196	155	49	d	d	X
eurjchem-2196	155	50	)	)	PUNCT
eurjchem-2196	155	51	(	(	PUNCT
eurjchem-2196	155	52	e	e	NOUN
eurjchem-2196	155	53	)	)	PUNCT
eurjchem-2196	155	54	(	(	PUNCT
eurjchem-2196	155	55	f	f	X
eurjchem-2196	155	56	)	)	PUNCT
eurjchem-2196	155	57	figure	figure	NOUN
eurjchem-2196	155	58	9	9	NUM
eurjchem-2196	155	59	.	.	NOUN
eurjchem-2196	155	60	2	2	NUM
eurjchem-2196	155	61	-	-	PUNCT
eurjchem-2196	155	62	dimensional	dimensional	ADJ
eurjchem-2196	155	63	fingerprint	fingerprint	NOUN
eurjchem-2196	155	64	plot	plot	NOUN
eurjchem-2196	155	65	of	of	ADP
eurjchem-2196	155	66	the	the	DET
eurjchem-2196	155	67	main	main	ADJ
eurjchem-2196	155	68	intermolecular	intermolecular	ADJ
eurjchem-2196	155	69	interactions	interaction	NOUN
eurjchem-2196	155	70	in	in	ADP
eurjchem-2196	155	71	the	the	DET
eurjchem-2196	155	72	crystal	crystal	NOUN
eurjchem-2196	155	73	structure	structure	NOUN
eurjchem-2196	155	74	of	of	ADP
eurjchem-2196	155	75	the	the	DET
eurjchem-2196	155	76	title	title	NOUN
eurjchem-2196	155	77	compound	compound	NOUN
eurjchem-2196	155	78	.	.	PUNCT
eurjchem-2196	156	1	figure	figure	NOUN
eurjchem-2196	156	2	10	10	NUM
eurjchem-2196	156	3	.	.	PUNCT
eurjchem-2196	157	1	molecular	molecular	ADJ
eurjchem-2196	157	2	pairs	pair	NOUN
eurjchem-2196	157	3	involved	involve	VERB
eurjchem-2196	157	4	in	in	ADP
eurjchem-2196	157	5	the	the	DET
eurjchem-2196	157	6	calculation	calculation	NOUN
eurjchem-2196	157	7	of	of	ADP
eurjchem-2196	157	8	interaction	interaction	NOUN
eurjchem-2196	157	9	energies	energy	NOUN
eurjchem-2196	157	10	of	of	ADP
eurjchem-2196	157	11	the	the	DET
eurjchem-2196	157	12	title	title	NOUN
eurjchem-2196	157	13	compound	compound	NOUN
eurjchem-2196	157	14	along	along	ADP
eurjchem-2196	157	15	the	the	DET
eurjchem-2196	157	16	c	c	NOUN
eurjchem-2196	157	17	axis	axis	NOUN
eurjchem-2196	157	18	.	.	PUNCT
eurjchem-2196	158	1	table	table	NOUN
eurjchem-2196	158	2	6	6	NUM
eurjchem-2196	158	3	.	.	PUNCT
eurjchem-2196	159	1	different	different	ADJ
eurjchem-2196	159	2	interaction	interaction	NOUN
eurjchem-2196	159	3	energies	energy	NOUN
eurjchem-2196	159	4	of	of	ADP
eurjchem-2196	159	5	molecular	molecular	ADJ
eurjchem-2196	159	6	pairs	pair	NOUN
eurjchem-2196	159	7	in	in	ADP
eurjchem-2196	159	8	kj	kj	PROPN
eurjchem-2196	159	9	/	/	SYM
eurjchem-2196	159	10	mol	mol	PROPN
eurjchem-2196	159	11	.	.	PUNCT
eurjchem-2196	160	1	color	color	PROPN
eurjchem-2196	160	2	*	*	PUNCT
eurjchem-2196	160	3	symmetry	symmetry	NOUN
eurjchem-2196	160	4	electron	electron	NOUN
eurjchem-2196	160	5	density	density	NOUN
eurjchem-2196	160	6	r	r	NOUN
eurjchem-2196	160	7	eele	eele	PROPN
eurjchem-2196	160	8	epol	epol	PROPN
eurjchem-2196	160	9	edis	edis	PROPN
eurjchem-2196	160	10	erep	erep	PROPN
eurjchem-2196	160	11	etot	etot	VERB
eurjchem-2196	160	12	x	x	PROPN
eurjchem-2196	160	13	,	,	PUNCT
eurjchem-2196	160	14	y	y	PROPN
eurjchem-2196	160	15	,	,	PUNCT
eurjchem-2196	160	16	z	z	PROPN
eurjchem-2196	160	17	b3lyp/6	b3lyp/6	PROPN
eurjchem-2196	160	18	-	-	NOUN
eurjchem-2196	160	19	311g(d	311g(d	NUM
eurjchem-2196	160	20	,	,	PUNCT
eurjchem-2196	160	21	p	p	NOUN
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eurjchem-2196	160	23	5.24	5.24	NUM
eurjchem-2196	160	24	-17.60	-17.60	PROPN
eurjchem-2196	160	25	-3.90	-3.90	NUM
eurjchem-2196	160	26	-60.10	-60.10	PROPN
eurjchem-2196	160	27	55.20	55.20	NUM
eurjchem-2196	160	28	-26.40	-26.40	PROPN
eurjchem-2196	160	29	x+1/2	x+1/2	PROPN
eurjchem-2196	160	30	,	,	PUNCT
eurjchem-2196	160	31	-y+1/2	-y+1/2	PROPN
eurjchem-2196	160	32	,	,	PUNCT
eurjchem-2196	160	33	z+1/2	z+1/2	PROPN
eurjchem-2196	160	34	b3lyp/6	b3lyp/6	PROPN
eurjchem-2196	160	35	-	-	NOUN
eurjchem-2196	160	36	311g(d	311g(d	NUM
eurjchem-2196	160	37	,	,	PUNCT
eurjchem-2196	160	38	p	p	NOUN
eurjchem-2196	160	39	)	)	PUNCT
eurjchem-2196	160	40	9.47	9.47	NUM
eurjchem-2196	160	41	-4.20	-4.20	NUM
eurjchem-2196	160	42	-1.00	-1.00	NOUN
eurjchem-2196	160	43	-12.40	-12.40	PROPN
eurjchem-2196	160	44	5.30	5.30	NUM
eurjchem-2196	160	45	-12.30	-12.30	PROPN
eurjchem-2196	160	46	x+1/2	x+1/2	PROPN
eurjchem-2196	160	47	,	,	PUNCT
eurjchem-2196	160	48	-y+1/2	-y+1/2	PROPN
eurjchem-2196	160	49	,	,	PUNCT
eurjchem-2196	160	50	z+1/2	z+1/2	PROPN
eurjchem-2196	160	51	b3lyp/6	b3lyp/6	PROPN
eurjchem-2196	160	52	-	-	NOUN
eurjchem-2196	160	53	311g(d	311g(d	NUM
eurjchem-2196	160	54	,	,	PUNCT
eurjchem-2196	160	55	p	p	NOUN
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eurjchem-2196	160	57	9.53	9.53	NUM
eurjchem-2196	160	58	-1.50	-1.50	PROPN
eurjchem-2196	160	59	-0.20	-0.20	NUM
eurjchem-2196	160	60	-5.60	-5.60	NUM
eurjchem-2196	160	61	4.10	4.10	NUM
eurjchem-2196	160	62	-3.20	-3.20	NUM
eurjchem-2196	160	63	x+1/2	x+1/2	PROPN
eurjchem-2196	160	64	,	,	PUNCT
eurjchem-2196	160	65	-y+1/2	-y+1/2	PROPN
eurjchem-2196	160	66	,	,	PUNCT
eurjchem-2196	160	67	z+1/2	z+1/2	PROPN
eurjchem-2196	160	68	b3lyp/6	b3lyp/6	PROPN
eurjchem-2196	160	69	-	-	NOUN
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eurjchem-2196	160	71	,	,	PUNCT
eurjchem-2196	160	72	p	p	NOUN
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eurjchem-2196	160	74	11.97	11.97	NUM
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eurjchem-2196	160	76	-0.30	-0.30	PUNCT
eurjchem-2196	160	77	-6.70	-6.70	NUM
eurjchem-2196	160	78	4.20	4.20	NUM
eurjchem-2196	160	79	-2.60	-2.60	NUM
eurjchem-2196	160	80	-x+1/2	-x+1/2	PROPN
eurjchem-2196	160	81	,	,	PUNCT
eurjchem-2196	160	82	y+1/2	y+1/2	PROPN
eurjchem-2196	160	83	,	,	PUNCT
eurjchem-2196	160	84	-z+1/2	-z+1/2	PROPN
eurjchem-2196	160	85	b3lyp/6	b3lyp/6	PROPN
eurjchem-2196	160	86	-	-	NOUN
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eurjchem-2196	160	88	,	,	PUNCT
eurjchem-2196	160	89	p	p	NOUN
eurjchem-2196	160	90	)	)	PUNCT
eurjchem-2196	160	91	10.22	10.22	NUM
eurjchem-2196	160	92	-2.10	-2.10	NOUN
eurjchem-2196	160	93	-0.50	-0.50	PROPN
eurjchem-2196	160	94	-11.50	-11.50	PROPN
eurjchem-2196	160	95	7.90	7.90	NUM
eurjchem-2196	160	96	-6.20	-6.20	NUM
eurjchem-2196	160	97	-x	-x	X
eurjchem-2196	160	98	,	,	PUNCT
eurjchem-2196	160	99	-y	-y	PROPN
eurjchem-2196	160	100	,	,	PUNCT
eurjchem-2196	160	101	-z	-z	PRON
eurjchem-2196	160	102	b3lyp/6	b3lyp/6	PROPN
eurjchem-2196	160	103	-	-	NOUN
eurjchem-2196	160	104	311g(d	311g(d	NUM
eurjchem-2196	160	105	,	,	PUNCT
eurjchem-2196	160	106	p	p	NOUN
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eurjchem-2196	160	108	5.41	5.41	NUM
eurjchem-2196	160	109	-31.30	-31.30	PROPN
eurjchem-2196	160	110	-5.70	-5.70	INTJ
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eurjchem-2196	160	112	58.70	58.70	NUM
eurjchem-2196	160	113	-24.00	-24.00	SYM
eurjchem-2196	160	114	x+1/2	x+1/2	PROPN
eurjchem-2196	160	115	,	,	PUNCT
eurjchem-2196	160	116	-y+1/2	-y+1/2	PROPN
eurjchem-2196	160	117	,	,	PUNCT
eurjchem-2196	160	118	z+1/2	z+1/2	PROPN
eurjchem-2196	160	119	b3lyp/6	b3lyp/6	PROPN
eurjchem-2196	160	120	-	-	NOUN
eurjchem-2196	160	121	311g(d	311g(d	NUM
eurjchem-2196	160	122	,	,	PUNCT
eurjchem-2196	160	123	p	p	NOUN
eurjchem-2196	160	124	)	)	PUNCT
eurjchem-2196	160	125	9.87	9.87	NUM
eurjchem-2196	160	126	-7.60	-7.60	NUM
eurjchem-2196	160	127	-0.50	-0.50	PROPN
eurjchem-2196	160	128	-18.50	-18.50	PROPN
eurjchem-2196	160	129	18.40	18.40	NUM
eurjchem-2196	160	130	-8.20	-8.20	NUM
eurjchem-2196	160	131	-x	-x	X
eurjchem-2196	160	132	,	,	PUNCT
eurjchem-2196	160	133	-y	-y	PROPN
eurjchem-2196	160	134	,	,	PUNCT
eurjchem-2196	160	135	-z	-z	PRON
eurjchem-2196	160	136	b3lyp/6	b3lyp/6	PROPN
eurjchem-2196	160	137	-	-	NOUN
eurjchem-2196	160	138	311g(d	311g(d	NUM
eurjchem-2196	160	139	,	,	PUNCT
eurjchem-2196	160	140	p	p	NOUN
eurjchem-2196	160	141	)	)	PUNCT
eurjchem-2196	160	142	7.12	7.12	NUM
eurjchem-2196	160	143	-78.10	-78.10	PROPN
eurjchem-2196	160	144	-10.40	-10.40	PROPN
eurjchem-2196	160	145	-33.30	-33.30	PROPN
eurjchem-2196	160	146	106.80	106.80	NUM
eurjchem-2196	160	147	-15.00	-15.00	NUM
eurjchem-2196	160	148	-x	-x	PROPN
eurjchem-2196	160	149	,	,	PUNCT
eurjchem-2196	160	150	-y	-y	PROPN
eurjchem-2196	160	151	,	,	PUNCT
eurjchem-2196	160	152	-z	-z	PRON
eurjchem-2196	160	153	b3lyp/6	b3lyp/6	PROPN
eurjchem-2196	160	154	-	-	NOUN
eurjchem-2196	160	155	311g(d	311g(d	NUM
eurjchem-2196	160	156	,	,	PUNCT
eurjchem-2196	160	157	p	p	NOUN
eurjchem-2196	160	158	)	)	PUNCT
eurjchem-2196	160	159	12.60	12.60	NUM
eurjchem-2196	160	160	-4.50	-4.50	DET
eurjchem-2196	160	161	-0.50	-0.50	PROPN
eurjchem-2196	160	162	-19.90	-19.90	PROPN
eurjchem-2196	160	163	17.20	17.20	NUM
eurjchem-2196	160	164	-7.70	-7.70	NOUN
eurjchem-2196	160	165	*	*	PUNCT
eurjchem-2196	160	166	the	the	DET
eurjchem-2196	160	167	color	color	NOUN
eurjchem-2196	160	168	and	and	CCONJ
eurjchem-2196	160	169	compound	compound	NOUN
eurjchem-2196	160	170	relationship	relationship	NOUN
eurjchem-2196	160	171	is	be	AUX
eurjchem-2196	160	172	given	give	VERB
eurjchem-2196	160	173	in	in	ADP
eurjchem-2196	160	174	figure	figure	NOUN
eurjchem-2196	160	175	10	10	NUM
eurjchem-2196	160	176	.	.	PUNCT
eurjchem-2196	161	1	molecular	molecular	ADJ
eurjchem-2196	161	2	pairs	pair	NOUN
eurjchem-2196	161	3	involved	involve	VERB
eurjchem-2196	161	4	in	in	ADP
eurjchem-2196	161	5	the	the	DET
eurjchem-2196	161	6	calculation	calculation	NOUN
eurjchem-2196	161	7	of	of	ADP
eurjchem-2196	161	8	the	the	DET
eurjchem-2196	161	9	interaction	interaction	NOUN
eurjchem-2196	161	10	energies	energy	NOUN
eurjchem-2196	161	11	of	of	ADP
eurjchem-2196	161	12	the	the	DET
eurjchem-2196	161	13	title	title	NOUN
eurjchem-2196	161	14	compound	compound	NOUN
eurjchem-2196	161	15	along	along	ADP
eurjchem-2196	161	16	the	the	DET
eurjchem-2196	161	17	c	c	PROPN
eurjchem-2196	161	18	axis	axis	NOUN
eurjchem-2196	161	19	are	be	AUX
eurjchem-2196	161	20	shown	show	VERB
eurjchem-2196	161	21	in	in	ADP
eurjchem-2196	161	22	figure	figure	NOUN
eurjchem-2196	161	23	10	10	NUM
eurjchem-2196	161	24	(	(	PUNCT
eurjchem-2196	161	25	table	table	NOUN
eurjchem-2196	161	26	6	6	NUM
eurjchem-2196	161	27	)	)	PUNCT
eurjchem-2196	161	28	.	.	PUNCT
eurjchem-2196	162	1	the	the	DET
eurjchem-2196	162	2	pictorial	pictorial	ADJ
eurjchem-2196	162	3	representation	representation	NOUN
eurjchem-2196	162	4	of	of	ADP
eurjchem-2196	162	5	coulomb	coulomb	NOUN
eurjchem-2196	162	6	energy	energy	NOUN
eurjchem-2196	162	7	,	,	PUNCT
eurjchem-2196	162	8	dispersion	dispersion	NOUN
eurjchem-2196	162	9	energy	energy	NOUN
eurjchem-2196	162	10	,	,	PUNCT
eurjchem-2196	162	11	and	and	CCONJ
eurjchem-2196	162	12	the	the	DET
eurjchem-2196	162	13	total	total	ADJ
eurjchem-2196	162	14	interaction	interaction	NOUN
eurjchem-2196	162	15	energy	energy	NOUN
eurjchem-2196	162	16	of	of	ADP
eurjchem-2196	162	17	the	the	DET
eurjchem-2196	162	18	molecule	molecule	NOUN
eurjchem-2196	162	19	viewed	view	VERB
eurjchem-2196	162	20	along	along	ADP
eurjchem-2196	162	21	a	a	DET
eurjchem-2196	162	22	,	,	PUNCT
eurjchem-2196	162	23	b	b	NOUN
eurjchem-2196	162	24	,	,	PUNCT
eurjchem-2196	162	25	and	and	CCONJ
eurjchem-2196	162	26	c	c	PROPN
eurjchem-2196	162	27	axis	axis	NOUN
eurjchem-2196	162	28	is	be	AUX
eurjchem-2196	162	29	shown	show	VERB
eurjchem-2196	162	30	in	in	ADP
eurjchem-2196	162	31	green	green	ADJ
eurjchem-2196	162	32	,	,	PUNCT
eurjchem-2196	162	33	red	red	ADJ
eurjchem-2196	162	34	,	,	PUNCT
eurjchem-2196	162	35	and	and	CCONJ
eurjchem-2196	162	36	blue	blue	ADJ
eurjchem-2196	162	37	colors	color	NOUN
eurjchem-2196	162	38	,	,	PUNCT
eurjchem-2196	162	39	respectively	respectively	ADV
eurjchem-2196	162	40	,	,	PUNCT
eurjchem-2196	162	41	and	and	CCONJ
eurjchem-2196	162	42	are	be	AUX
eurjchem-2196	162	43	displayed	display	VERB
eurjchem-2196	162	44	in	in	ADP
eurjchem-2196	162	45	figure	figure	NOUN
eurjchem-2196	162	46	11	11	NUM
eurjchem-2196	162	47	.	.	PUNCT
eurjchem-2196	163	1	the	the	DET
eurjchem-2196	163	2	total	total	ADJ
eurjchem-2196	163	3	intermolecular	intermolecular	ADJ
eurjchem-2196	163	4	interaction	interaction	NOUN
eurjchem-2196	163	5	energy	energy	NOUN
eurjchem-2196	163	6	(	(	PUNCT
eurjchem-2196	163	7	etot	etot	VERB
eurjchem-2196	163	8	)	)	PUNCT
eurjchem-2196	163	9	is	be	AUX
eurjchem-2196	163	10	the	the	DET
eurjchem-2196	163	11	sum	sum	NOUN
eurjchem-2196	163	12	of	of	ADP
eurjchem-2196	163	13	four	four	NUM
eurjchem-2196	163	14	energy	energy	NOUN
eurjchem-2196	163	15	terms	term	NOUN
eurjchem-2196	163	16	:	:	PUNCT
eurjchem-2196	163	17	electrostatic	electrostatic	ADJ
eurjchem-2196	163	18	(	(	PUNCT
eurjchem-2196	163	19	eele	eele	PROPN
eurjchem-2196	163	20	)	)	PUNCT
eurjchem-2196	163	21	,	,	PUNCT
eurjchem-2196	163	22	polarization	polarization	NOUN
eurjchem-2196	163	23	(	(	PUNCT
eurjchem-2196	163	24	epol	epol	NOUN
eurjchem-2196	163	25	)	)	PUNCT
eurjchem-2196	163	26	,	,	PUNCT
eurjchem-2196	163	27	dispersion	dispersion	NOUN
eurjchem-2196	163	28	(	(	PUNCT
eurjchem-2196	163	29	edisp	edisp	NOUN
eurjchem-2196	163	30	)	)	PUNCT
eurjchem-2196	163	31	and	and	CCONJ
eurjchem-2196	163	32	exchange	exchange	NOUN
eurjchem-2196	163	33	-	-	PUNCT
eurjchem-2196	163	34	repulsion	repulsion	NOUN
eurjchem-2196	163	35	(	(	PUNCT
eurjchem-2196	163	36	erep	erep	NOUN
eurjchem-2196	163	37	)	)	PUNCT
eurjchem-2196	163	38	with	with	ADP
eurjchem-2196	163	39	scale	scale	NOUN
eurjchem-2196	163	40	factors	factor	NOUN
eurjchem-2196	163	41	of	of	ADP
eurjchem-2196	163	42	1.057	1.057	NUM
eurjchem-2196	163	43	,	,	PUNCT
eurjchem-2196	163	44	0.740	0.740	NUM
eurjchem-2196	163	45	,	,	PUNCT
eurjchem-2196	163	46	0.871	0.871	NUM
eurjchem-2196	163	47	,	,	PUNCT
eurjchem-2196	163	48	and	and	CCONJ
eurjchem-2196	163	49	0.618	0.618	NUM
eurjchem-2196	163	50	,	,	PUNCT
eurjchem-2196	163	51	respectively	respectively	ADV
eurjchem-2196	163	52	[	[	X
eurjchem-2196	163	53	65	65	NUM
eurjchem-2196	163	54	]	]	PUNCT
eurjchem-2196	163	55	.	.	PUNCT
eurjchem-2196	164	1	the	the	DET
eurjchem-2196	164	2	different	different	ADJ
eurjchem-2196	164	3	interaction	interaction	NOUN
eurjchem-2196	164	4	energies	energy	NOUN
eurjchem-2196	164	5	viz	viz	VERB
eurjchem-2196	164	6	.	.	PROPN
eurjchem-2196	164	7	,	,	PUNCT
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eurjchem-2196	164	9	,	,	PUNCT
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eurjchem-2196	164	11	,	,	PUNCT
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eurjchem-2196	164	13	,	,	PUNCT
eurjchem-2196	164	14	and	and	CCONJ
eurjchem-2196	164	15	repulsion	repulsion	NOUN
eurjchem-2196	164	16	energies	energy	NOUN
eurjchem-2196	164	17	are	be	AUX
eurjchem-2196	164	18	-146.7	-146.7	PROPN
eurjchem-2196	164	19	,	,	PUNCT
eurjchem-2196	164	20	-23.0	-23.0	NUM
eurjchem-2196	164	21	,	,	PUNCT
eurjchem-2196	164	22	213.7	213.7	NUM
eurjchem-2196	164	23	,	,	PUNCT
eurjchem-2196	164	24	and	and	CCONJ
eurjchem-2196	164	25	277.8	277.8	NUM
eurjchem-2196	164	26	kj	kj	PROPN
eurjchem-2196	164	27	/	/	SYM
eurjchem-2196	164	28	mol	mol	PROPN
eurjchem-2196	164	29	,	,	PUNCT
eurjchem-2196	164	30	respectively	respectively	ADV
eurjchem-2196	164	31	.	.	PUNCT
eurjchem-2196	165	1	the	the	DET
eurjchem-2196	165	2	total	total	ADJ
eurjchem-2196	165	3	energy	energy	NOUN
eurjchem-2196	165	4	is	be	AUX
eurjchem-2196	165	5	-105.6	-105.6	PROPN
eurjchem-2196	165	6	kj	kj	PROPN
eurjchem-2196	165	7	/	/	SYM
eurjchem-2196	165	8	mol	mol	PROPN
eurjchem-2196	165	9	.	.	PUNCT
eurjchem-2196	166	1	the	the	DET
eurjchem-2196	166	2	cylinders	cylinder	NOUN
eurjchem-2196	166	3	in	in	ADP
eurjchem-2196	166	4	the	the	DET
eurjchem-2196	166	5	energy	energy	NOUN
eurjchem-2196	166	6	framework	framework	NOUN
eurjchem-2196	166	7	depict	depict	VERB
eurjchem-2196	166	8	the	the	DET
eurjchem-2196	166	9	relative	relative	ADJ
eurjchem-2196	166	10	strengths	strength	NOUN
eurjchem-2196	166	11	of	of	ADP
eurjchem-2196	166	12	the	the	DET
eurjchem-2196	166	13	molecular	molecular	ADJ
eurjchem-2196	166	14	packing	packing	NOUN
eurjchem-2196	166	15	and	and	CCONJ
eurjchem-2196	166	16	the	the	DET
eurjchem-2196	166	17	associated	associated	ADJ
eurjchem-2196	166	18	energies	energy	NOUN
eurjchem-2196	166	19	between	between	ADP
eurjchem-2196	166	20	the	the	DET
eurjchem-2196	166	21	molecular	molecular	ADJ
eurjchem-2196	166	22	pairs	pair	NOUN
eurjchem-2196	166	23	in	in	ADP
eurjchem-2196	166	24	different	different	ADJ
eurjchem-2196	166	25	directions	direction	NOUN
eurjchem-2196	166	26	,	,	PUNCT
eurjchem-2196	166	27	while	while	SCONJ
eurjchem-2196	166	28	the	the	DET
eurjchem-2196	166	29	absence	absence	NOUN
eurjchem-2196	166	30	of	of	ADP
eurjchem-2196	166	31	cylinders	cylinder	NOUN
eurjchem-2196	166	32	along	along	ADP
eurjchem-2196	166	33	a	a	DET
eurjchem-2196	166	34	particular	particular	ADJ
eurjchem-2196	166	35	direction	direction	NOUN
eurjchem-2196	166	36	is	be	AUX
eurjchem-2196	166	37	due	due	ADJ
eurjchem-2196	166	38	to	to	ADP
eurjchem-2196	166	39	weak	weak	ADJ
eurjchem-2196	166	40	interactions	interaction	NOUN
eurjchem-2196	166	41	below	below	ADP
eurjchem-2196	166	42	a	a	DET
eurjchem-2196	166	43	threshold	threshold	NOUN
eurjchem-2196	166	44	energy	energy	NOUN
eurjchem-2196	166	45	(	(	PUNCT
eurjchem-2196	166	46	5	5	NUM
eurjchem-2196	166	47	kj	kj	PROPN
eurjchem-2196	166	48	/	/	SYM
eurjchem-2196	166	49	mol	mol	NOUN
eurjchem-2196	166	50	)	)	PUNCT
eurjchem-2196	166	51	and	and	CCONJ
eurjchem-2196	166	52	they	they	PRON
eurjchem-2196	166	53	are	be	AUX
eurjchem-2196	166	54	omitted	omit	VERB
eurjchem-2196	166	55	.	.	PUNCT
eurjchem-2196	167	1	446	446	NUM
eurjchem-2196	167	2	ozer	ozer	NOUN
eurjchem-2196	167	3	et	et	PROPN
eurjchem-2196	167	4	al	al	PROPN
eurjchem-2196	167	5	.	.	PUNCT
eurjchem-2196	167	6	/	/	SYM
eurjchem-2196	167	7	european	european	PROPN
eurjchem-2196	167	8	journal	journal	PROPN
eurjchem-2196	167	9	of	of	ADP
eurjchem-2196	167	10	chemistry	chemistry	NOUN
eurjchem-2196	167	11	12	12	NUM
eurjchem-2196	167	12	(	(	PUNCT
eurjchem-2196	167	13	4	4	NUM
eurjchem-2196	167	14	)	)	PUNCT
eurjchem-2196	167	15	(	(	PUNCT
eurjchem-2196	167	16	2021	2021	NUM
eurjchem-2196	167	17	)	)	PUNCT
eurjchem-2196	167	18	439	439	NUM
eurjchem-2196	167	19	-	-	SYM
eurjchem-2196	167	20	449	449	NUM
eurjchem-2196	167	21	2021	2021	NUM
eurjchem-2196	167	22	–	–	PUNCT
eurjchem-2196	167	23	european	european	ADJ
eurjchem-2196	167	24	journal	journal	NOUN
eurjchem-2196	167	25	of	of	ADP
eurjchem-2196	167	26	chemistry	chemistry	NOUN
eurjchem-2196	167	27	–	–	PUNCT
eurjchem-2196	167	28	cc	cc	NOUN
eurjchem-2196	167	29	by	by	ADP
eurjchem-2196	167	30	nc	nc	PROPN
eurjchem-2196	167	31	–	–	PUNCT
eurjchem-2196	167	32	doi	doi	PROPN
eurjchem-2196	167	33	:	:	PUNCT
eurjchem-2196	167	34	10.5155	10.5155	NUM
eurjchem-2196	167	35	/	/	SYM
eurjchem-2196	167	36	eurjchem.12.4.439	eurjchem.12.4.439	NOUN
eurjchem-2196	167	37	-	-	PUNCT
eurjchem-2196	167	38	449.2196	449.2196	NUM
eurjchem-2196	167	39	figure	figure	NOUN
eurjchem-2196	167	40	11	11	NUM
eurjchem-2196	167	41	.	.	PUNCT
eurjchem-2196	168	1	representation	representation	NOUN
eurjchem-2196	168	2	of	of	ADP
eurjchem-2196	168	3	the	the	DET
eurjchem-2196	168	4	coulomb	coulomb	NOUN
eurjchem-2196	168	5	interaction	interaction	NOUN
eurjchem-2196	168	6	energy	energy	NOUN
eurjchem-2196	168	7	,	,	PUNCT
eurjchem-2196	168	8	dispersion	dispersion	NOUN
eurjchem-2196	168	9	energy	energy	NOUN
eurjchem-2196	168	10	,	,	PUNCT
eurjchem-2196	168	11	and	and	CCONJ
eurjchem-2196	168	12	total	total	ADJ
eurjchem-2196	168	13	energy	energy	NOUN
eurjchem-2196	168	14	in	in	ADP
eurjchem-2196	168	15	red	red	ADJ
eurjchem-2196	168	16	,	,	PUNCT
eurjchem-2196	168	17	green	green	ADJ
eurjchem-2196	168	18	,	,	PUNCT
eurjchem-2196	168	19	and	and	CCONJ
eurjchem-2196	168	20	blue	blue	ADJ
eurjchem-2196	168	21	colors	color	NOUN
eurjchem-2196	168	22	along	along	ADP
eurjchem-2196	168	23	the	the	DET
eurjchem-2196	168	24	a	a	PROPN
eurjchem-2196	168	25	,	,	PUNCT
eurjchem-2196	168	26	b	b	NOUN
eurjchem-2196	168	27	,	,	PUNCT
eurjchem-2196	168	28	and	and	CCONJ
eurjchem-2196	168	29	c	c	NOUN
eurjchem-2196	168	30	axes	axis	NOUN
eurjchem-2196	168	31	,	,	PUNCT
eurjchem-2196	168	32	respectively	respectively	ADV
eurjchem-2196	168	33	.	.	PUNCT
eurjchem-2196	169	1	the	the	DET
eurjchem-2196	169	2	dispersion	dispersion	NOUN
eurjchem-2196	169	3	energy	energy	NOUN
eurjchem-2196	169	4	framework	framework	NOUN
eurjchem-2196	169	5	is	be	AUX
eurjchem-2196	169	6	dominant	dominant	ADJ
eurjchem-2196	169	7	over	over	ADP
eurjchem-2196	169	8	the	the	DET
eurjchem-2196	169	9	electrostatic	electrostatic	ADJ
eurjchem-2196	169	10	energy	energy	NOUN
eurjchem-2196	169	11	framework	framework	NOUN
eurjchem-2196	169	12	shown	show	VERB
eurjchem-2196	169	13	in	in	ADP
eurjchem-2196	169	14	figure	figure	NOUN
eurjchem-2196	169	15	11	11	NUM
eurjchem-2196	169	16	and	and	CCONJ
eurjchem-2196	169	17	table	table	NOUN
eurjchem-2196	169	18	6	6	NUM
eurjchem-2196	169	19	.	.	PUNCT
eurjchem-2196	170	1	this	this	PRON
eurjchem-2196	170	2	is	be	AUX
eurjchem-2196	170	3	due	due	ADJ
eurjchem-2196	170	4	to	to	ADP
eurjchem-2196	170	5	the	the	DET
eurjchem-2196	170	6	presence	presence	NOUN
eurjchem-2196	170	7	of	of	ADP
eurjchem-2196	170	8	a	a	DET
eurjchem-2196	170	9	cl	cl	NOUN
eurjchem-2196	170	10	atom	atom	NOUN
eurjchem-2196	170	11	,	,	PUNCT
eurjchem-2196	170	12	which	which	PRON
eurjchem-2196	170	13	has	have	VERB
eurjchem-2196	170	14	a	a	DET
eurjchem-2196	170	15	large	large	ADJ
eurjchem-2196	170	16	electron	electron	NOUN
eurjchem-2196	170	17	cloud	cloud	NOUN
eurjchem-2196	170	18	in	in	ADP
eurjchem-2196	170	19	the	the	DET
eurjchem-2196	170	20	title	title	NOUN
eurjchem-2196	170	21	compound	compound	NOUN
eurjchem-2196	170	22	[	[	X
eurjchem-2196	170	23	66	66	NUM
eurjchem-2196	170	24	]	]	PUNCT
eurjchem-2196	170	25	.	.	PUNCT
eurjchem-2196	171	1	the	the	DET
eurjchem-2196	171	2	study	study	NOUN
eurjchem-2196	171	3	of	of	ADP
eurjchem-2196	171	4	a	a	DET
eurjchem-2196	171	5	three	three	NUM
eurjchem-2196	171	6	-	-	PUNCT
eurjchem-2196	171	7	dimensional	dimensional	ADJ
eurjchem-2196	171	8	surface	surface	NOUN
eurjchem-2196	171	9	mep	mep	PROPN
eurjchem-2196	171	10	plot	plot	NOUN
eurjchem-2196	171	11	is	be	AUX
eurjchem-2196	171	12	a	a	DET
eurjchem-2196	171	13	method	method	NOUN
eurjchem-2196	171	14	to	to	PART
eurjchem-2196	171	15	map	map	VERB
eurjchem-2196	171	16	the	the	DET
eurjchem-2196	171	17	electrostatic	electrostatic	ADJ
eurjchem-2196	171	18	potential	potential	NOUN
eurjchem-2196	171	19	to	to	ADP
eurjchem-2196	171	20	the	the	DET
eurjchem-2196	171	21	isoelectronic	isoelectronic	ADJ
eurjchem-2196	171	22	density	density	PROPN
eurjchem-2196	171	23	’s	’s	PART
eurjchem-2196	171	24	surface	surface	NOUN
eurjchem-2196	171	25	,	,	PUNCT
eurjchem-2196	171	26	providing	provide	VERB
eurjchem-2196	171	27	details	detail	NOUN
eurjchem-2196	171	28	of	of	ADP
eurjchem-2196	171	29	the	the	DET
eurjchem-2196	171	30	reactive	reactive	ADJ
eurjchem-2196	171	31	sites	site	NOUN
eurjchem-2196	171	32	.	.	PUNCT
eurjchem-2196	172	1	the	the	DET
eurjchem-2196	172	2	surface	surface	NOUN
eurjchem-2196	172	3	simultaneously	simultaneously	ADV
eurjchem-2196	172	4	shows	show	VERB
eurjchem-2196	172	5	the	the	DET
eurjchem-2196	172	6	molecular	molecular	ADJ
eurjchem-2196	172	7	size	size	NOUN
eurjchem-2196	172	8	and	and	CCONJ
eurjchem-2196	172	9	shape	shape	NOUN
eurjchem-2196	172	10	and	and	CCONJ
eurjchem-2196	172	11	the	the	DET
eurjchem-2196	172	12	electrostatic	electrostatic	ADJ
eurjchem-2196	172	13	potential	potential	ADJ
eurjchem-2196	172	14	value	value	NOUN
eurjchem-2196	172	15	.	.	PUNCT
eurjchem-2196	173	1	the	the	DET
eurjchem-2196	173	2	red	red	ADJ
eurjchem-2196	173	3	region	region	NOUN
eurjchem-2196	173	4	indicates	indicate	VERB
eurjchem-2196	173	5	an	an	DET
eurjchem-2196	173	6	electron	electron	NOUN
eurjchem-2196	173	7	-	-	PUNCT
eurjchem-2196	173	8	rich	rich	ADJ
eurjchem-2196	173	9	region	region	NOUN
eurjchem-2196	173	10	with	with	ADP
eurjchem-2196	173	11	a	a	DET
eurjchem-2196	173	12	partial	partial	ADJ
eurjchem-2196	173	13	negative	negative	ADJ
eurjchem-2196	173	14	charge	charge	NOUN
eurjchem-2196	173	15	and	and	CCONJ
eurjchem-2196	173	16	blue	blue	ADJ
eurjchem-2196	173	17	region	region	NOUN
eurjchem-2196	173	18	as	as	ADP
eurjchem-2196	173	19	an	an	DET
eurjchem-2196	173	20	electron	electron	NOUN
eurjchem-2196	173	21	-	-	PUNCT
eurjchem-2196	173	22	deficient	deficient	ADJ
eurjchem-2196	173	23	region	region	NOUN
eurjchem-2196	173	24	with	with	ADP
eurjchem-2196	173	25	a	a	DET
eurjchem-2196	173	26	partial	partial	ADJ
eurjchem-2196	173	27	positive	positive	ADJ
eurjchem-2196	173	28	charge	charge	NOUN
eurjchem-2196	173	29	in	in	ADP
eurjchem-2196	173	30	the	the	DET
eurjchem-2196	173	31	color	color	NOUN
eurjchem-2196	173	32	scheme	scheme	NOUN
eurjchem-2196	173	33	.	.	PUNCT
eurjchem-2196	174	1	the	the	DET
eurjchem-2196	174	2	b3lyp/6	b3lyp/6	PROPN
eurjchem-2196	174	3	-	-	PROPN
eurjchem-2196	174	4	311g(d	311g(d	NUM
eurjchem-2196	174	5	,	,	PUNCT
eurjchem-2196	174	6	p	p	NOUN
eurjchem-2196	174	7	)	)	PUNCT
eurjchem-2196	174	8	method	method	NOUN
eurjchem-2196	174	9	was	be	AUX
eurjchem-2196	174	10	used	use	VERB
eurjchem-2196	174	11	to	to	PART
eurjchem-2196	174	12	obtain	obtain	VERB
eurjchem-2196	174	13	the	the	DET
eurjchem-2196	174	14	mep	mep	PROPN
eurjchem-2196	174	15	of	of	ADP
eurjchem-2196	174	16	the	the	DET
eurjchem-2196	174	17	title	title	NOUN
eurjchem-2196	174	18	compound	compound	NOUN
eurjchem-2196	174	19	.	.	PUNCT
eurjchem-2196	175	1	figure	figure	NOUN
eurjchem-2196	175	2	12	12	NUM
eurjchem-2196	175	3	shows	show	VERB
eurjchem-2196	175	4	that	that	SCONJ
eurjchem-2196	175	5	the	the	DET
eurjchem-2196	175	6	molecule	molecule	NOUN
eurjchem-2196	175	7	has	have	VERB
eurjchem-2196	175	8	two	two	NUM
eurjchem-2196	175	9	potential	potential	ADJ
eurjchem-2196	175	10	electrophilic	electrophilic	ADJ
eurjchem-2196	175	11	attack	attack	NOUN
eurjchem-2196	175	12	sites	site	NOUN
eurjchem-2196	175	13	.	.	PUNCT
eurjchem-2196	176	1	the	the	DET
eurjchem-2196	176	2	negative	negative	ADJ
eurjchem-2196	176	3	area	area	NOUN
eurjchem-2196	176	4	is	be	AUX
eurjchem-2196	176	5	located	locate	VERB
eurjchem-2196	176	6	on	on	ADP
eurjchem-2196	176	7	the	the	DET
eurjchem-2196	176	8	carbonyl	carbonyl	NOUN
eurjchem-2196	176	9	oxygen	oxygen	NOUN
eurjchem-2196	176	10	atom	atom	NOUN
eurjchem-2196	176	11	and	and	CCONJ
eurjchem-2196	176	12	the	the	DET
eurjchem-2196	176	13	thiocarbonyl	thiocarbonyl	ADJ
eurjchem-2196	176	14	sulfur	sulfur	NOUN
eurjchem-2196	176	15	atom	atom	NOUN
eurjchem-2196	176	16	.	.	PUNCT
eurjchem-2196	177	1	according	accord	VERB
eurjchem-2196	177	2	to	to	PART
eurjchem-2196	177	3	figure	figure	NOUN
eurjchem-2196	177	4	12	12	NUM
eurjchem-2196	177	5	,	,	PUNCT
eurjchem-2196	177	6	the	the	DET
eurjchem-2196	177	7	oxygen	oxygen	NOUN
eurjchem-2196	177	8	atom	atom	NOUN
eurjchem-2196	177	9	of	of	ADP
eurjchem-2196	177	10	the	the	DET
eurjchem-2196	177	11	c	c	PROPN
eurjchem-2196	177	12	=	=	PROPN
eurjchem-2196	177	13	o	o	PROPN
eurjchem-2196	177	14	group	group	NOUN
eurjchem-2196	177	15	in	in	ADP
eurjchem-2196	177	16	the	the	DET
eurjchem-2196	177	17	title	title	NOUN
eurjchem-2196	177	18	compound	compound	NOUN
eurjchem-2196	177	19	is	be	AUX
eurjchem-2196	177	20	responsible	responsible	ADJ
eurjchem-2196	177	21	for	for	ADP
eurjchem-2196	177	22	the	the	DET
eurjchem-2196	177	23	nucleophilic	nucleophilic	ADJ
eurjchem-2196	177	24	attack	attack	NOUN
eurjchem-2196	177	25	due	due	ADP
eurjchem-2196	177	26	to	to	ADP
eurjchem-2196	177	27	the	the	DET
eurjchem-2196	177	28	fact	fact	NOUN
eurjchem-2196	177	29	that	that	SCONJ
eurjchem-2196	177	30	it	it	PRON
eurjchem-2196	177	31	has	have	AUX
eurjchem-2196	177	32	the	the	DET
eurjchem-2196	177	33	largest	large	ADJ
eurjchem-2196	177	34	electronegativity	electronegativity	NOUN
eurjchem-2196	177	35	among	among	ADP
eurjchem-2196	177	36	all	all	DET
eurjchem-2196	177	37	types	type	NOUN
eurjchem-2196	177	38	of	of	ADP
eurjchem-2196	177	39	atoms	atom	NOUN
eurjchem-2196	177	40	in	in	ADP
eurjchem-2196	177	41	the	the	DET
eurjchem-2196	177	42	title	title	NOUN
eurjchem-2196	177	43	compound	compound	NOUN
eurjchem-2196	177	44	.	.	PUNCT
eurjchem-2196	178	1	on	on	ADP
eurjchem-2196	178	2	the	the	DET
eurjchem-2196	178	3	other	other	ADJ
eurjchem-2196	178	4	hand	hand	NOUN
eurjchem-2196	178	5	,	,	PUNCT
eurjchem-2196	178	6	the	the	DET
eurjchem-2196	178	7	positive	positive	ADJ
eurjchem-2196	178	8	potential	potential	ADJ
eurjchem-2196	178	9	sites	site	NOUN
eurjchem-2196	178	10	of	of	ADP
eurjchem-2196	178	11	the	the	DET
eurjchem-2196	178	12	compound	compound	NOUN
eurjchem-2196	178	13	are	be	AUX
eurjchem-2196	178	14	around	around	ADP
eurjchem-2196	178	15	hydrogen	hydrogen	NOUN
eurjchem-2196	178	16	atoms	atom	NOUN
eurjchem-2196	178	17	and	and	CCONJ
eurjchem-2196	178	18	the	the	DET
eurjchem-2196	178	19	most	most	ADV
eurjchem-2196	178	20	positive	positive	ADJ
eurjchem-2196	178	21	point	point	NOUN
eurjchem-2196	178	22	or	or	CCONJ
eurjchem-2196	178	23	the	the	DET
eurjchem-2196	178	24	blue	blue	ADJ
eurjchem-2196	178	25	point	point	NOUN
eurjchem-2196	178	26	is	be	AUX
eurjchem-2196	178	27	focused	focus	VERB
eurjchem-2196	178	28	around	around	ADP
eurjchem-2196	178	29	the	the	DET
eurjchem-2196	178	30	hydrogen	hydrogen	NOUN
eurjchem-2196	178	31	atom	atom	NOUN
eurjchem-2196	178	32	of	of	ADP
eurjchem-2196	178	33	the	the	DET
eurjchem-2196	178	34	n	n	CCONJ
eurjchem-2196	178	35	-	-	PUNCT
eurjchem-2196	178	36	h	h	NOUN
eurjchem-2196	178	37	group	group	NOUN
eurjchem-2196	178	38	which	which	PRON
eurjchem-2196	178	39	is	be	AUX
eurjchem-2196	178	40	the	the	DET
eurjchem-2196	178	41	most	most	ADV
eurjchem-2196	178	42	suitable	suitable	ADJ
eurjchem-2196	178	43	region	region	NOUN
eurjchem-2196	178	44	for	for	ADP
eurjchem-2196	178	45	susceptible	susceptible	ADJ
eurjchem-2196	178	46	nucleophilic	nucleophilic	ADJ
eurjchem-2196	178	47	attack	attack	NOUN
eurjchem-2196	178	48	[	[	X
eurjchem-2196	178	49	67	67	NUM
eurjchem-2196	178	50	]	]	PUNCT
eurjchem-2196	178	51	.	.	PUNCT
eurjchem-2196	179	1	so	so	ADV
eurjchem-2196	179	2	,	,	PUNCT
eurjchem-2196	179	3	the	the	DET
eurjchem-2196	179	4	n	n	CCONJ
eurjchem-2196	179	5	-	-	PUNCT
eurjchem-2196	179	6	h	h	NOUN
eurjchem-2196	179	7	groups	group	NOUN
eurjchem-2196	179	8	in	in	ADP
eurjchem-2196	179	9	the	the	DET
eurjchem-2196	179	10	title	title	NOUN
eurjchem-2196	179	11	compound	compound	NOUN
eurjchem-2196	179	12	could	could	AUX
eurjchem-2196	179	13	act	act	VERB
eurjchem-2196	179	14	as	as	ADP
eurjchem-2196	179	15	hydrogen	hydrogen	NOUN
eurjchem-2196	179	16	bonding	bonding	NOUN
eurjchem-2196	179	17	donors	donor	NOUN
eurjchem-2196	179	18	.	.	PUNCT
eurjchem-2196	180	1	ozer	ozer	NOUN
eurjchem-2196	180	2	et	et	PROPN
eurjchem-2196	180	3	al	al	PROPN
eurjchem-2196	180	4	.	.	PUNCT
eurjchem-2196	180	5	/	/	SYM
eurjchem-2196	180	6	european	european	PROPN
eurjchem-2196	180	7	journal	journal	PROPN
eurjchem-2196	180	8	of	of	ADP
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eurjchem-2196	180	10	12	12	NUM
eurjchem-2196	180	11	(	(	PUNCT
eurjchem-2196	180	12	4	4	NUM
eurjchem-2196	180	13	)	)	PUNCT
eurjchem-2196	180	14	(	(	PUNCT
eurjchem-2196	180	15	2021	2021	NUM
eurjchem-2196	180	16	)	)	PUNCT
eurjchem-2196	180	17	439	439	NUM
eurjchem-2196	180	18	-	-	SYM
eurjchem-2196	180	19	449	449	NUM
eurjchem-2196	180	20	447	447	NUM
eurjchem-2196	180	21	2021	2021	NUM
eurjchem-2196	180	22	–	–	PUNCT
eurjchem-2196	180	23	european	european	ADJ
eurjchem-2196	180	24	journal	journal	NOUN
eurjchem-2196	180	25	of	of	ADP
eurjchem-2196	180	26	chemistry	chemistry	NOUN
eurjchem-2196	180	27	–	–	PUNCT
eurjchem-2196	180	28	cc	cc	NOUN
eurjchem-2196	180	29	by	by	ADP
eurjchem-2196	180	30	nc	nc	PROPN
eurjchem-2196	180	31	–	–	PUNCT
eurjchem-2196	180	32	doi	doi	PROPN
eurjchem-2196	180	33	:	:	PUNCT
eurjchem-2196	180	34	10.5155	10.5155	NUM
eurjchem-2196	180	35	/	/	SYM
eurjchem-2196	180	36	eurjchem.12.4.439	eurjchem.12.4.439	NOUN
eurjchem-2196	180	37	-	-	PUNCT
eurjchem-2196	180	38	449.2196	449.2196	NUM
eurjchem-2196	180	39	table	table	NOUN
eurjchem-2196	180	40	7	7	NUM
eurjchem-2196	180	41	.	.	PUNCT
eurjchem-2196	180	42	mulliken	mulliken	ADJ
eurjchem-2196	180	43	atomic	atomic	ADJ
eurjchem-2196	180	44	charges	charge	NOUN
eurjchem-2196	180	45	for	for	ADP
eurjchem-2196	180	46	the	the	DET
eurjchem-2196	180	47	title	title	NOUN
eurjchem-2196	180	48	compound	compound	NOUN
eurjchem-2196	180	49	.	.	PUNCT
eurjchem-2196	181	1	atom	atom	NOUN
eurjchem-2196	181	2	charge	charge	NOUN
eurjchem-2196	181	3	atom	atom	NOUN
eurjchem-2196	181	4	charge	charge	NOUN
eurjchem-2196	181	5	atom	atom	NOUN
eurjchem-2196	181	6	charge	charge	NOUN
eurjchem-2196	181	7	atom	atom	NOUN
eurjchem-2196	181	8	charge	charge	NOUN
eurjchem-2196	181	9	o1	o1	PROPN
eurjchem-2196	181	10	+0.39319	+0.39319	PROPN
eurjchem-2196	181	11	h10	h10	PROPN
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eurjchem-2196	182	1	c19	c19	PROPN
eurjchem-2196	182	2	+0.42756	+0.42756	PROPN
eurjchem-2196	182	3	c28	c28	PROPN
eurjchem-2196	182	4	–	–	PUNCT
eurjchem-2196	182	5	0.20717	0.20717	NUM
eurjchem-2196	182	6	cl2	cl2	NOUN
eurjchem-2196	182	7	–	–	PUNCT
eurjchem-2196	182	8	0.06205	0.06205	NUM
eurjchem-2196	182	9	c11	c11	NOUN
eurjchem-2196	182	10	–	–	PUNCT
eurjchem-2196	182	11	0.10340	0.10340	NUM
eurjchem-2196	182	12	c20	c20	NOUN
eurjchem-2196	182	13	–	–	PUNCT
eurjchem-2196	182	14	0.24722	0.24722	NUM
eurjchem-2196	182	15	h29	h29	NOUN
eurjchem-2196	182	16	+0.11390	+0.11390	PROPN
eurjchem-2196	182	17	s3	s3	PROPN
eurjchem-2196	182	18	–	–	PUNCT
eurjchem-2196	182	19	0.22778	0.22778	NUM
eurjchem-2196	182	20	h12	h12	NOUN
eurjchem-2196	182	21	+0.10229	+0.10229	PRON
eurjchem-2196	182	22	h21	h21	PROPN
eurjchem-2196	182	23	+0.11845	+0.11845	PROPN
eurjchem-2196	182	24	h30	h30	X
eurjchem-2196	182	25	+0.11013	+0.11013	PROPN
eurjchem-2196	182	26	n4	n4	PROPN
eurjchem-2196	182	27	–	–	PUNCT
eurjchem-2196	182	28	0.39023	0.39023	NUM
eurjchem-2196	182	29	c13	c13	NOUN
eurjchem-2196	182	30	–	–	PUNCT
eurjchem-2196	182	31	0.08152	0.08152	NUM
eurjchem-2196	182	32	c22	c22	NOUN
eurjchem-2196	182	33	–	–	PUNCT
eurjchem-2196	182	34	0.17570	0.17570	NUM
eurjchem-2196	182	35	c31	c31	NOUN
eurjchem-2196	182	36	–	–	PUNCT
eurjchem-2196	182	37	0.21145	0.21145	NUM
eurjchem-2196	182	38	h5	h5	PROPN
eurjchem-2196	182	39	+0.27417	+0.27417	PROPN
eurjchem-2196	182	40	h14	h14	NOUN
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eurjchem-2196	182	42	h23	h23	PROPN
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eurjchem-2196	182	44	h32	h32	VERB
eurjchem-2196	182	45	+0.10408	+0.10408	PROPN
eurjchem-2196	182	46	n6	n6	PROPN
eurjchem-2196	182	47	–	–	PUNCT
eurjchem-2196	182	48	0.45240	0.45240	NUM
eurjchem-2196	182	49	c15	c15	NOUN
eurjchem-2196	182	50	+0.01610	+0.01610	PROPN
eurjchem-2196	182	51	h24	h24	PROPN
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eurjchem-2196	182	53	h33	h33	PROPN
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eurjchem-2196	182	55	h7	h7	PROPN
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eurjchem-2196	182	57	h16	h16	PROPN
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eurjchem-2196	182	59	c25	c25	PROPN
eurjchem-2196	182	60	–	–	PUNCT
eurjchem-2196	182	61	0.21018	0.21018	NUM
eurjchem-2196	182	62	c34	c34	NOUN
eurjchem-2196	182	63	–	–	PUNCT
eurjchem-2196	182	64	0.17510	0.17510	NUM
eurjchem-2196	182	65	c8	c8	PROPN
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eurjchem-2196	182	67	c17	c17	NOUN
eurjchem-2196	182	68	–	–	PUNCT
eurjchem-2196	182	69	0.27016	0.27016	NUM
eurjchem-2196	182	70	h26	h26	ADJ
eurjchem-2196	182	71	+0.11789	+0.11789	NUM
eurjchem-2196	182	72	h35	h35	X
eurjchem-2196	182	73	+0.11680	+0.11680	ADJ
eurjchem-2196	182	74	c9	c9	NOUN
eurjchem-2196	182	75	–	–	PUNCT
eurjchem-2196	182	76	0.04592	0.04592	NUM
eurjchem-2196	182	77	c18	c18	NOUN
eurjchem-2196	182	78	+0.16527	+0.16527	PROPN
eurjchem-2196	182	79	h27	h27	PROPN
eurjchem-2196	182	80	+0.10421	+0.10421	PROPN
eurjchem-2196	182	81	h36	h36	PROPN
eurjchem-2196	182	82	+0.13316	+0.13316	X
eurjchem-2196	182	83	(	(	PUNCT
eurjchem-2196	182	84	a	a	NOUN
eurjchem-2196	182	85	)	)	PUNCT
eurjchem-2196	182	86	(	(	PUNCT
eurjchem-2196	182	87	b	b	X
eurjchem-2196	182	88	)	)	PUNCT
eurjchem-2196	182	89	figure	figure	NOUN
eurjchem-2196	182	90	12	12	NUM
eurjchem-2196	182	91	.	.	PUNCT
eurjchem-2196	183	1	(	(	PUNCT
eurjchem-2196	183	2	a	a	X
eurjchem-2196	183	3	)	)	PUNCT
eurjchem-2196	183	4	the	the	DET
eurjchem-2196	183	5	contour	contour	NOUN
eurjchem-2196	183	6	map	map	NOUN
eurjchem-2196	183	7	of	of	ADP
eurjchem-2196	183	8	electrostatic	electrostatic	ADJ
eurjchem-2196	183	9	potential	potential	NOUN
eurjchem-2196	183	10	and	and	CCONJ
eurjchem-2196	183	11	(	(	PUNCT
eurjchem-2196	183	12	b	b	NOUN
eurjchem-2196	183	13	)	)	PUNCT
eurjchem-2196	183	14	molecular	molecular	ADJ
eurjchem-2196	183	15	electrostatic	electrostatic	ADJ
eurjchem-2196	183	16	potential	potential	NOUN
eurjchem-2196	183	17	(	(	PUNCT
eurjchem-2196	183	18	mep	mep	PROPN
eurjchem-2196	183	19	)	)	PUNCT
eurjchem-2196	183	20	map	map	NOUN
eurjchem-2196	183	21	calculated	calculate	VERB
eurjchem-2196	183	22	at	at	ADP
eurjchem-2196	183	23	the	the	DET
eurjchem-2196	183	24	b3lyp/6	b3lyp/6	NOUN
eurjchem-2196	183	25	-	-	NOUN
eurjchem-2196	183	26	311g(d	311g(d	NUM
eurjchem-2196	183	27	,	,	PUNCT
eurjchem-2196	183	28	p	p	NOUN
eurjchem-2196	183	29	)	)	PUNCT
eurjchem-2196	183	30	level	level	NOUN
eurjchem-2196	183	31	.	.	PUNCT
eurjchem-2196	184	1	the	the	DET
eurjchem-2196	184	2	presence	presence	NOUN
eurjchem-2196	184	3	of	of	ADP
eurjchem-2196	184	4	a	a	DET
eurjchem-2196	184	5	negative	negative	ADJ
eurjchem-2196	184	6	charge	charge	NOUN
eurjchem-2196	184	7	on	on	ADP
eurjchem-2196	184	8	the	the	DET
eurjchem-2196	184	9	oxygen	oxygen	NOUN
eurjchem-2196	184	10	,	,	PUNCT
eurjchem-2196	184	11	sulphur	sulphur	NOUN
eurjchem-2196	184	12	and	and	CCONJ
eurjchem-2196	184	13	chlorine	chlorine	NOUN
eurjchem-2196	184	14	atoms	atom	NOUN
eurjchem-2196	184	15	and	and	CCONJ
eurjchem-2196	184	16	a	a	DET
eurjchem-2196	184	17	positive	positive	ADJ
eurjchem-2196	184	18	site	site	NOUN
eurjchem-2196	184	19	on	on	ADP
eurjchem-2196	184	20	the	the	DET
eurjchem-2196	184	21	n	n	CCONJ
eurjchem-2196	184	22	–	–	PUNCT
eurjchem-2196	184	23	h	h	NOUN
eurjchem-2196	184	24	bonds	bond	NOUN
eurjchem-2196	184	25	supports	support	VERB
eurjchem-2196	184	26	the	the	DET
eurjchem-2196	184	27	configuration	configuration	NOUN
eurjchem-2196	184	28	of	of	ADP
eurjchem-2196	184	29	h···o	h···o	PROPN
eurjchem-2196	184	30	,	,	PUNCT
eurjchem-2196	184	31	h···s	h···	NOUN
eurjchem-2196	184	32	,	,	PUNCT
eurjchem-2196	184	33	and	and	CCONJ
eurjchem-2196	184	34	h···cl	h···cl	NOUN
eurjchem-2196	184	35	contacts	contact	NOUN
eurjchem-2196	184	36	(	(	PUNCT
eurjchem-2196	184	37	table	table	NOUN
eurjchem-2196	184	38	4	4	NUM
eurjchem-2196	184	39	)	)	PUNCT
eurjchem-2196	184	40	.	.	PUNCT
eurjchem-2196	185	1	in	in	ADP
eurjchem-2196	185	2	the	the	DET
eurjchem-2196	185	3	gas	gas	NOUN
eurjchem-2196	185	4	phase	phase	NOUN
eurjchem-2196	185	5	at	at	ADP
eurjchem-2196	185	6	the	the	DET
eurjchem-2196	185	7	level	level	NOUN
eurjchem-2196	185	8	of	of	ADP
eurjchem-2196	185	9	b3lyp/6	b3lyp/6	NOUN
eurjchem-2196	185	10	-	-	NOUN
eurjchem-2196	185	11	311g(d	311g(d	NUM
eurjchem-2196	185	12	,	,	PUNCT
eurjchem-2196	185	13	p	p	NOUN
eurjchem-2196	185	14	)	)	PUNCT
eurjchem-2196	185	15	,	,	PUNCT
eurjchem-2196	185	16	the	the	DET
eurjchem-2196	185	17	mulliken	mulliken	PROPN
eurjchem-2196	185	18	atomic	atomic	ADJ
eurjchem-2196	185	19	charge	charge	NOUN
eurjchem-2196	185	20	of	of	ADP
eurjchem-2196	185	21	all	all	DET
eurjchem-2196	185	22	atoms	atom	NOUN
eurjchem-2196	185	23	of	of	ADP
eurjchem-2196	185	24	the	the	DET
eurjchem-2196	185	25	title	title	NOUN
eurjchem-2196	185	26	compound	compound	NOUN
eurjchem-2196	185	27	have	have	AUX
eurjchem-2196	185	28	been	be	AUX
eurjchem-2196	185	29	obtained	obtain	VERB
eurjchem-2196	185	30	by	by	ADP
eurjchem-2196	185	31	mulliken	mulliken	NOUN
eurjchem-2196	185	32	atomic	atomic	ADJ
eurjchem-2196	185	33	charge	charge	NOUN
eurjchem-2196	185	34	distribution	distribution	NOUN
eurjchem-2196	185	35	analysis	analysis	NOUN
eurjchem-2196	185	36	[	[	X
eurjchem-2196	185	37	68	68	NUM
eurjchem-2196	185	38	]	]	PUNCT
eurjchem-2196	185	39	.	.	PUNCT
eurjchem-2196	186	1	while	while	SCONJ
eurjchem-2196	186	2	positively	positively	ADV
eurjchem-2196	186	3	charged	charge	VERB
eurjchem-2196	186	4	atoms	atom	NOUN
eurjchem-2196	186	5	have	have	VERB
eurjchem-2196	186	6	the	the	DET
eurjchem-2196	186	7	nucleophilic	nucleophilic	ADJ
eurjchem-2196	186	8	effect	effect	NOUN
eurjchem-2196	186	9	,	,	PUNCT
eurjchem-2196	186	10	negatively	negatively	ADV
eurjchem-2196	186	11	charged	charge	VERB
eurjchem-2196	186	12	atoms	atom	NOUN
eurjchem-2196	186	13	are	be	AUX
eurjchem-2196	186	14	responsible	responsible	ADJ
eurjchem-2196	186	15	for	for	ADP
eurjchem-2196	186	16	the	the	DET
eurjchem-2196	186	17	electrophilic	electrophilic	ADJ
eurjchem-2196	186	18	effect	effect	NOUN
eurjchem-2196	186	19	.	.	PUNCT
eurjchem-2196	187	1	the	the	DET
eurjchem-2196	187	2	values	value	NOUN
eurjchem-2196	187	3	of	of	ADP
eurjchem-2196	187	4	mulliken	mulliken	ADJ
eurjchem-2196	187	5	atomic	atomic	ADJ
eurjchem-2196	187	6	charges	charge	NOUN
eurjchem-2196	187	7	are	be	AUX
eurjchem-2196	187	8	given	give	VERB
eurjchem-2196	187	9	in	in	ADP
eurjchem-2196	187	10	table	table	NOUN
eurjchem-2196	187	11	7	7	NUM
eurjchem-2196	187	12	.	.	PUNCT
eurjchem-2196	188	1	it	it	PRON
eurjchem-2196	188	2	is	be	AUX
eurjchem-2196	188	3	observed	observe	VERB
eurjchem-2196	188	4	that	that	SCONJ
eurjchem-2196	188	5	the	the	DET
eurjchem-2196	188	6	charge	charge	NOUN
eurjchem-2196	188	7	of	of	ADP
eurjchem-2196	188	8	the	the	DET
eurjchem-2196	188	9	n6	n6	PROPN
eurjchem-2196	188	10	atom	atom	NOUN
eurjchem-2196	188	11	in	in	ADP
eurjchem-2196	188	12	the	the	DET
eurjchem-2196	188	13	title	title	NOUN
eurjchem-2196	188	14	molecule	molecule	NOUN
eurjchem-2196	188	15	has	have	VERB
eurjchem-2196	188	16	the	the	DET
eurjchem-2196	188	17	lowest	low	ADJ
eurjchem-2196	188	18	negative	negative	ADJ
eurjchem-2196	188	19	value	value	NOUN
eurjchem-2196	188	20	(	(	PUNCT
eurjchem-2196	188	21	–	–	PUNCT
eurjchem-2196	188	22	0.45240	0.45240	NUM
eurjchem-2196	188	23	)	)	PUNCT
eurjchem-2196	188	24	and	and	CCONJ
eurjchem-2196	188	25	the	the	DET
eurjchem-2196	188	26	c19	c19	NOUN
eurjchem-2196	188	27	atom	atom	NOUN
eurjchem-2196	188	28	has	have	VERB
eurjchem-2196	188	29	the	the	DET
eurjchem-2196	188	30	highest	high	ADJ
eurjchem-2196	188	31	positive	positive	ADJ
eurjchem-2196	188	32	value	value	NOUN
eurjchem-2196	188	33	(	(	PUNCT
eurjchem-2196	188	34	+0.42756	+0.42756	X
eurjchem-2196	188	35	)	)	PUNCT
eurjchem-2196	188	36	due	due	ADP
eurjchem-2196	188	37	to	to	ADP
eurjchem-2196	188	38	the	the	DET
eurjchem-2196	188	39	polarizability	polarizability	NOUN
eurjchem-2196	188	40	of	of	ADP
eurjchem-2196	188	41	the	the	DET
eurjchem-2196	188	42	n	n	NOUN
eurjchem-2196	188	43	-	-	PUNCT
eurjchem-2196	188	44	h	h	NOUN
eurjchem-2196	188	45	and	and	CCONJ
eurjchem-2196	188	46	c	c	NOUN
eurjchem-2196	188	47	=	=	NOUN
eurjchem-2196	188	48	o	o	NOUN
eurjchem-2196	188	49	groups	group	NOUN
eurjchem-2196	188	50	.	.	PUNCT
eurjchem-2196	189	1	these	these	DET
eurjchem-2196	189	2	calculated	calculate	VERB
eurjchem-2196	189	3	values	value	NOUN
eurjchem-2196	189	4	are	be	AUX
eurjchem-2196	189	5	in	in	ADP
eurjchem-2196	189	6	agreement	agreement	NOUN
eurjchem-2196	189	7	with	with	ADP
eurjchem-2196	189	8	the	the	DET
eurjchem-2196	189	9	intermolecular	intermolecular	ADJ
eurjchem-2196	189	10	and	and	CCONJ
eurjchem-2196	189	11	intramolecular	intramolecular	ADJ
eurjchem-2196	189	12	interactions	interaction	NOUN
eurjchem-2196	189	13	in	in	ADP
eurjchem-2196	189	14	the	the	DET
eurjchem-2196	189	15	title	title	NOUN
eurjchem-2196	189	16	compound	compound	NOUN
eurjchem-2196	189	17	.	.	PUNCT
eurjchem-2196	190	1	5	5	X
eurjchem-2196	190	2	.	.	X
eurjchem-2196	190	3	conclusions	conclusion	NOUN
eurjchem-2196	190	4	the	the	DET
eurjchem-2196	190	5	title	title	NOUN
eurjchem-2196	190	6	compound	compound	NOUN
eurjchem-2196	190	7	was	be	AUX
eurjchem-2196	190	8	synthesized	synthesize	VERB
eurjchem-2196	190	9	according	accord	VERB
eurjchem-2196	190	10	to	to	ADP
eurjchem-2196	190	11	the	the	DET
eurjchem-2196	190	12	literature	literature	NOUN
eurjchem-2196	190	13	and	and	CCONJ
eurjchem-2196	190	14	characterized	characterize	VERB
eurjchem-2196	190	15	to	to	PART
eurjchem-2196	190	16	confirm	confirm	VERB
eurjchem-2196	190	17	its	its	PRON
eurjchem-2196	190	18	structure	structure	NOUN
eurjchem-2196	190	19	.	.	PUNCT
eurjchem-2196	191	1	the	the	DET
eurjchem-2196	191	2	obtained	obtain	VERB
eurjchem-2196	191	3	dft	dft	PROPN
eurjchem-2196	191	4	geometries	geometry	NOUN
eurjchem-2196	191	5	are	be	AUX
eurjchem-2196	191	6	in	in	ADP
eurjchem-2196	191	7	good	good	ADJ
eurjchem-2196	191	8	agreement	agreement	NOUN
eurjchem-2196	191	9	with	with	ADP
eurjchem-2196	191	10	the	the	DET
eurjchem-2196	191	11	rerefined	rerefine	VERB
eurjchem-2196	191	12	single	single	ADJ
eurjchem-2196	191	13	crystal	crystal	NOUN
eurjchem-2196	191	14	x	x	PROPN
eurjchem-2196	191	15	-	-	NOUN
eurjchem-2196	191	16	ray	ray	NOUN
eurjchem-2196	191	17	diffraction	diffraction	NOUN
eurjchem-2196	191	18	results	result	NOUN
eurjchem-2196	191	19	.	.	PUNCT
eurjchem-2196	192	1	the	the	DET
eurjchem-2196	192	2	low	low	ADJ
eurjchem-2196	192	3	energy	energy	NOUN
eurjchem-2196	192	4	gap	gap	NOUN
eurjchem-2196	192	5	between	between	ADP
eurjchem-2196	192	6	the	the	DET
eurjchem-2196	192	7	frontier	frontier	NOUN
eurjchem-2196	192	8	molecular	molecular	ADJ
eurjchem-2196	192	9	orbitals	orbital	NOUN
eurjchem-2196	192	10	indicates	indicate	VERB
eurjchem-2196	192	11	that	that	SCONJ
eurjchem-2196	192	12	molecule	molecule	NOUN
eurjchem-2196	192	13	is	be	AUX
eurjchem-2196	192	14	unstable	unstable	ADJ
eurjchem-2196	192	15	with	with	ADP
eurjchem-2196	192	16	easy	easy	ADJ
eurjchem-2196	192	17	transfer	transfer	NOUN
eurjchem-2196	192	18	of	of	ADP
eurjchem-2196	192	19	electrons	electron	NOUN
eurjchem-2196	192	20	from	from	ADP
eurjchem-2196	192	21	homo	homo	NOUN
eurjchem-2196	192	22	to	to	ADP
eurjchem-2196	192	23	lumo	lumo	NOUN
eurjchem-2196	192	24	.	.	PUNCT
eurjchem-2196	193	1	in	in	ADP
eurjchem-2196	193	2	addition	addition	NOUN
eurjchem-2196	193	3	,	,	PUNCT
eurjchem-2196	193	4	the	the	DET
eurjchem-2196	193	5	homo	homo	NOUN
eurjchem-2196	193	6	-	-	PUNCT
eurjchem-2196	193	7	lumo	lumo	NOUN
eurjchem-2196	193	8	gap	gap	NOUN
eurjchem-2196	193	9	of	of	ADP
eurjchem-2196	193	10	3.5399	3.5399	NUM
eurjchem-2196	193	11	ev	ev	NOUN
eurjchem-2196	193	12	implies	imply	VERB
eurjchem-2196	193	13	that	that	SCONJ
eurjchem-2196	193	14	the	the	DET
eurjchem-2196	193	15	title	title	NOUN
eurjchem-2196	193	16	compound	compound	NOUN
eurjchem-2196	193	17	has	have	VERB
eurjchem-2196	193	18	good	good	ADJ
eurjchem-2196	193	19	polarizability	polarizability	NOUN
eurjchem-2196	193	20	and	and	CCONJ
eurjchem-2196	193	21	high	high	ADJ
eurjchem-2196	193	22	chemical	chemical	NOUN
eurjchem-2196	193	23	reactivity	reactivity	NOUN
eurjchem-2196	193	24	.	.	PUNCT
eurjchem-2196	194	1	the	the	DET
eurjchem-2196	194	2	molecular	molecular	ADJ
eurjchem-2196	194	3	structure	structure	NOUN
eurjchem-2196	194	4	is	be	AUX
eurjchem-2196	194	5	stabilized	stabilize	VERB
eurjchem-2196	194	6	by	by	ADP
eurjchem-2196	194	7	different	different	ADJ
eurjchem-2196	194	8	hydrogen	hydrogen	NOUN
eurjchem-2196	194	9	bond	bond	NOUN
eurjchem-2196	194	10	interactions	interaction	NOUN
eurjchem-2196	194	11	.	.	PUNCT
eurjchem-2196	195	1	hirshfeld	hirshfeld	PROPN
eurjchem-2196	195	2	surface	surface	PROPN
eurjchem-2196	195	3	studies	study	NOUN
eurjchem-2196	195	4	reveal	reveal	VERB
eurjchem-2196	195	5	that	that	SCONJ
eurjchem-2196	195	6	the	the	DET
eurjchem-2196	195	7	types	type	NOUN
eurjchem-2196	195	8	of	of	ADP
eurjchem-2196	195	9	intermolecular	intermolecular	ADJ
eurjchem-2196	195	10	interactions	interaction	NOUN
eurjchem-2196	195	11	of	of	ADP
eurjchem-2196	195	12	the	the	DET
eurjchem-2196	195	13	title	title	NOUN
eurjchem-2196	195	14	compound	compound	NOUN
eurjchem-2196	195	15	molecule	molecule	NOUN
eurjchem-2196	195	16	and	and	CCONJ
eurjchem-2196	195	17	2d	2d	NOUN
eurjchem-2196	195	18	fingerprint	fingerprint	NOUN
eurjchem-2196	195	19	plots	plot	NOUN
eurjchem-2196	195	20	present	present	VERB
eurjchem-2196	195	21	the	the	DET
eurjchem-2196	195	22	percentage	percentage	NOUN
eurjchem-2196	195	23	of	of	ADP
eurjchem-2196	195	24	each	each	DET
eurjchem-2196	195	25	type	type	NOUN
eurjchem-2196	195	26	of	of	ADP
eurjchem-2196	195	27	contact	contact	NOUN
eurjchem-2196	195	28	for	for	ADP
eurjchem-2196	195	29	it	it	PRON
eurjchem-2196	195	30	.	.	PUNCT
eurjchem-2196	196	1	from	from	ADP
eurjchem-2196	196	2	the	the	DET
eurjchem-2196	196	3	energy	energy	NOUN
eurjchem-2196	196	4	3d	3d	NUM
eurjchem-2196	196	5	frameworks	framework	NOUN
eurjchem-2196	196	6	analysis	analysis	NOUN
eurjchem-2196	196	7	,	,	PUNCT
eurjchem-2196	196	8	it	it	PRON
eurjchem-2196	196	9	is	be	AUX
eurjchem-2196	196	10	found	find	VERB
eurjchem-2196	196	11	that	that	SCONJ
eurjchem-2196	196	12	the	the	DET
eurjchem-2196	196	13	dispersion	dispersion	NOUN
eurjchem-2196	196	14	energy	energy	NOUN
eurjchem-2196	196	15	is	be	AUX
eurjchem-2196	196	16	the	the	DET
eurjchem-2196	196	17	dominant	dominant	ADJ
eurjchem-2196	196	18	factor	factor	NOUN
eurjchem-2196	196	19	among	among	ADP
eurjchem-2196	196	20	all	all	DET
eurjchem-2196	196	21	interaction	interaction	NOUN
eurjchem-2196	196	22	energies	energy	NOUN
eurjchem-2196	196	23	,	,	PUNCT
eurjchem-2196	196	24	this	this	PRON
eurjchem-2196	196	25	is	be	AUX
eurjchem-2196	196	26	due	due	ADJ
eurjchem-2196	196	27	to	to	ADP
eurjchem-2196	196	28	the	the	DET
eurjchem-2196	196	29	presence	presence	NOUN
eurjchem-2196	196	30	of	of	ADP
eurjchem-2196	196	31	the	the	DET
eurjchem-2196	196	32	cl	cl	NOUN
eurjchem-2196	196	33	atom	atom	NOUN
eurjchem-2196	196	34	which	which	PRON
eurjchem-2196	196	35	has	have	VERB
eurjchem-2196	196	36	a	a	DET
eurjchem-2196	196	37	large	large	ADJ
eurjchem-2196	196	38	electron	electron	NOUN
eurjchem-2196	196	39	cloud	cloud	NOUN
eurjchem-2196	196	40	in	in	ADP
eurjchem-2196	196	41	the	the	DET
eurjchem-2196	196	42	title	title	NOUN
eurjchem-2196	196	43	compound	compound	NOUN
eurjchem-2196	196	44	.	.	PUNCT
eurjchem-2196	197	1	acknowledgements	acknowledgement	NOUN
eurjchem-2196	197	2	a	a	DET
eurjchem-2196	197	3	part	part	NOUN
eurjchem-2196	197	4	of	of	ADP
eurjchem-2196	197	5	this	this	DET
eurjchem-2196	197	6	work	work	NOUN
eurjchem-2196	197	7	was	be	AUX
eurjchem-2196	197	8	supported	support	VERB
eurjchem-2196	197	9	by	by	ADP
eurjchem-2196	197	10	the	the	DET
eurjchem-2196	197	11	mersin	mersin	PROPN
eurjchem-2196	197	12	university	university	PROPN
eurjchem-2196	197	13	research	research	NOUN
eurjchem-2196	197	14	fund	fund	NOUN
eurjchem-2196	198	1	[	[	X
eurjchem-2196	198	2	project	project	NOUN
eurjchem-2196	198	3	no	no	PRON
eurjchem-2196	198	4	:	:	PUNCT
eurjchem-2196	198	5	bap	bap	ADJ
eurjchem-2196	198	6	-	-	PUNCT
eurjchem-2196	198	7	sbetb	sbetb	NOUN
eurjchem-2196	198	8	(	(	PUNCT
eurjchem-2196	198	9	ckö	ckö	NOUN
eurjchem-2196	198	10	)	)	PUNCT
eurjchem-2196	198	11	2007	2007	NUM
eurjchem-2196	198	12	-	-	SYM
eurjchem-2196	198	13	1	1	NUM
eurjchem-2196	198	14	]	]	PUNCT
eurjchem-2196	198	15	.	.	PUNCT
eurjchem-2196	199	1	we	we	PRON
eurjchem-2196	199	2	thank	thank	VERB
eurjchem-2196	199	3	b.	b.	PROPN
eurjchem-2196	199	4	arslan	arslan	PROPN
eurjchem-2196	199	5	for	for	ADP
eurjchem-2196	199	6	allowing	allow	VERB
eurjchem-2196	199	7	us	we	PRON
eurjchem-2196	199	8	to	to	PART
eurjchem-2196	199	9	reuse	reuse	VERB
eurjchem-2196	199	10	and	and	CCONJ
eurjchem-2196	199	11	reinvestigation	reinvestigation	VERB
eurjchem-2196	199	12	the	the	DET
eurjchem-2196	199	13	crystal	crystal	NOUN
eurjchem-2196	199	14	diffraction	diffraction	NOUN
eurjchem-2196	199	15	data	datum	NOUN
eurjchem-2196	199	16	.	.	PUNCT
eurjchem-2196	200	1	supporting	support	VERB
eurjchem-2196	200	2	information	information	NOUN
eurjchem-2196	200	3	ccdc-2120032	ccdc-2120032	NOUN
eurjchem-2196	200	4	contains	contain	VERB
eurjchem-2196	200	5	the	the	DET
eurjchem-2196	200	6	supplementary	supplementary	ADJ
eurjchem-2196	200	7	crystallographic	crystallographic	ADJ
eurjchem-2196	200	8	data	datum	NOUN
eurjchem-2196	200	9	for	for	ADP
eurjchem-2196	200	10	this	this	DET
eurjchem-2196	200	11	paper	paper	NOUN
eurjchem-2196	200	12	.	.	PUNCT
eurjchem-2196	201	1	these	these	DET
eurjchem-2196	201	2	data	datum	NOUN
eurjchem-2196	201	3	can	can	AUX
eurjchem-2196	201	4	be	be	AUX
eurjchem-2196	201	5	obtained	obtain	VERB
eurjchem-2196	201	6	free	free	ADJ
eurjchem-2196	201	7	of	of	ADP
eurjchem-2196	201	8	charge	charge	NOUN
eurjchem-2196	201	9	via	via	ADP
eurjchem-2196	201	10	www.ccdc.cam.ac.uk/data_request/cif	www.ccdc.cam.ac.uk/data_request/cif	NOUN
eurjchem-2196	201	11	,	,	PUNCT
eurjchem-2196	201	12	or	or	CCONJ
eurjchem-2196	201	13	by	by	ADP
eurjchem-2196	201	14	emailing	email	VERB
eurjchem-2196	201	15	data_request@ccdc.cam.ac.uk	data_request@ccdc.cam.ac.uk	PROPN
eurjchem-2196	201	16	,	,	PUNCT
eurjchem-2196	201	17	or	or	CCONJ
eurjchem-2196	201	18	by	by	ADP
eurjchem-2196	201	19	contacting	contact	VERB
eurjchem-2196	201	20	the	the	DET
eurjchem-2196	201	21	cambridge	cambridge	PROPN
eurjchem-2196	201	22	crystallographic	crystallographic	PROPN
eurjchem-2196	201	23	data	data	PROPN
eurjchem-2196	201	24	centre	centre	NOUN
eurjchem-2196	201	25	,	,	PUNCT
eurjchem-2196	201	26	12	12	NUM
eurjchem-2196	201	27	union	union	NOUN
eurjchem-2196	201	28	road	road	NOUN
eurjchem-2196	201	29	,	,	PUNCT
eurjchem-2196	201	30	cambridge	cambridge	PROPN
eurjchem-2196	201	31	cb2	cb2	PROPN
eurjchem-2196	201	32	1ez	1ez	PROPN
eurjchem-2196	201	33	,	,	PUNCT
eurjchem-2196	201	34	uk	uk	PROPN
eurjchem-2196	201	35	;	;	PUNCT
eurjchem-2196	201	36	fax	fax	NOUN
eurjchem-2196	201	37	:	:	PUNCT
eurjchem-2196	201	38	+44(0)1223	+44(0)1223	PROPN
eurjchem-2196	201	39	-	-	PUNCT
eurjchem-2196	201	40	336033	336033	NUM
eurjchem-2196	201	41	.	.	PUNCT
eurjchem-2196	202	1	disclosure	disclosure	NOUN
eurjchem-2196	202	2	statement	statement	NOUN
eurjchem-2196	202	3	conflict	conflict	NOUN
eurjchem-2196	202	4	of	of	ADP
eurjchem-2196	202	5	interest	interest	NOUN
eurjchem-2196	202	6	:	:	PUNCT
eurjchem-2196	202	7	the	the	DET
eurjchem-2196	202	8	authors	author	NOUN
eurjchem-2196	202	9	declare	declare	VERB
eurjchem-2196	202	10	that	that	SCONJ
eurjchem-2196	202	11	they	they	PRON
eurjchem-2196	202	12	have	have	VERB
eurjchem-2196	202	13	no	no	DET
eurjchem-2196	202	14	conflict	conflict	NOUN
eurjchem-2196	202	15	of	of	ADP
eurjchem-2196	202	16	interest	interest	NOUN
eurjchem-2196	202	17	.	.	PUNCT
eurjchem-2196	203	1	ethical	ethical	ADJ
eurjchem-2196	203	2	approval	approval	NOUN
eurjchem-2196	203	3	:	:	PUNCT
eurjchem-2196	204	1	all	all	DET
eurjchem-2196	204	2	ethical	ethical	ADJ
eurjchem-2196	204	3	guidelines	guideline	NOUN
eurjchem-2196	204	4	have	have	AUX
eurjchem-2196	204	5	been	be	AUX
eurjchem-2196	204	6	adhered	adhere	VERB
eurjchem-2196	204	7	.	.	PUNCT
eurjchem-2196	205	1	sample	sample	NOUN
eurjchem-2196	205	2	availability	availability	NOUN
eurjchem-2196	205	3	:	:	PUNCT
eurjchem-2196	205	4	sample	sample	NOUN
eurjchem-2196	205	5	of	of	ADP
eurjchem-2196	205	6	the	the	DET
eurjchem-2196	205	7	compound	compound	NOUN
eurjchem-2196	205	8	is	be	AUX
eurjchem-2196	205	9	available	available	ADJ
eurjchem-2196	205	10	from	from	ADP
eurjchem-2196	205	11	the	the	DET
eurjchem-2196	205	12	author	author	NOUN
eurjchem-2196	205	13	.	.	PUNCT
eurjchem-2196	206	1	http://www.ccdc.cam.ac.uk/data_request/cif	http://www.ccdc.cam.ac.uk/data_request/cif	X
eurjchem-2196	206	2	mailto:data_request@ccdc.cam.ac.uk	mailto:data_request@ccdc.cam.ac.uk	VERB
eurjchem-2196	206	3	448	448	NUM
eurjchem-2196	206	4	ozer	ozer	NOUN
eurjchem-2196	206	5	et	et	PROPN
eurjchem-2196	206	6	al	al	PROPN
eurjchem-2196	206	7	.	.	PUNCT
eurjchem-2196	206	8	/	/	SYM
eurjchem-2196	206	9	european	european	PROPN
eurjchem-2196	206	10	journal	journal	PROPN
eurjchem-2196	206	11	of	of	ADP
eurjchem-2196	206	12	chemistry	chemistry	NOUN
eurjchem-2196	206	13	12	12	NUM
eurjchem-2196	206	14	(	(	PUNCT
eurjchem-2196	206	15	4	4	NUM
eurjchem-2196	206	16	)	)	PUNCT
eurjchem-2196	206	17	(	(	PUNCT
eurjchem-2196	206	18	2021	2021	NUM
eurjchem-2196	206	19	)	)	PUNCT
eurjchem-2196	206	20	439	439	NUM
eurjchem-2196	206	21	-	-	SYM
eurjchem-2196	206	22	449	449	NUM
eurjchem-2196	206	23	2021	2021	NUM
eurjchem-2196	206	24	–	–	PUNCT
eurjchem-2196	206	25	european	european	ADJ
eurjchem-2196	206	26	journal	journal	NOUN
eurjchem-2196	206	27	of	of	ADP
eurjchem-2196	206	28	chemistry	chemistry	NOUN
eurjchem-2196	206	29	–	–	PUNCT
eurjchem-2196	206	30	cc	cc	NOUN
eurjchem-2196	206	31	by	by	ADP
eurjchem-2196	206	32	nc	nc	PROPN
eurjchem-2196	206	33	–	–	PUNCT
eurjchem-2196	206	34	doi	doi	PROPN
eurjchem-2196	206	35	:	:	PUNCT
eurjchem-2196	206	36	10.5155	10.5155	NUM
eurjchem-2196	206	37	/	/	SYM
eurjchem-2196	206	38	eurjchem.12.4.439	eurjchem.12.4.439	NOUN
eurjchem-2196	206	39	-	-	PUNCT
eurjchem-2196	206	40	449.2196	449.2196	NUM
eurjchem-2196	206	41	credit	credit	NOUN
eurjchem-2196	206	42	authorship	authorship	NOUN
eurjchem-2196	206	43	contribution	contribution	NOUN
eurjchem-2196	206	44	statement	statement	NOUN
eurjchem-2196	206	45	conceptualization	conceptualization	NOUN
eurjchem-2196	206	46	:	:	PUNCT
eurjchem-2196	206	47	hakan	hakan	PROPN
eurjchem-2196	206	48	arslan	arslan	PROPN
eurjchem-2196	206	49	;	;	PUNCT
eurjchem-2196	206	50	methodology	methodology	NOUN
eurjchem-2196	206	51	:	:	PUNCT
eurjchem-2196	206	52	cemal	cemal	PROPN
eurjchem-2196	206	53	koray	koray	PROPN
eurjchem-2196	206	54	ozer	ozer	PROPN
eurjchem-2196	206	55	,	,	PUNCT
eurjchem-2196	206	56	ummuhan	ummuhan	PROPN
eurjchem-2196	206	57	solmaz	solmaz	PROPN
eurjchem-2196	206	58	,	,	PUNCT
eurjchem-2196	206	59	hakan	hakan	PROPN
eurjchem-2196	206	60	arslan	arslan	PROPN
eurjchem-2196	206	61	;	;	PUNCT
eurjchem-2196	206	62	software	software	NOUN
eurjchem-2196	206	63	:	:	PUNCT
eurjchem-2196	206	64	hakan	hakan	PROPN
eurjchem-2196	206	65	arslan	arslan	PROPN
eurjchem-2196	206	66	;	;	PUNCT
eurjchem-2196	206	67	validation	validation	NOUN
eurjchem-2196	206	68	:	:	PUNCT
eurjchem-2196	206	69	ummuhan	ummuhan	PROPN
eurjchem-2196	206	70	solmaz	solmaz	PROPN
eurjchem-2196	206	71	,	,	PUNCT
eurjchem-2196	206	72	hakan	hakan	PROPN
eurjchem-2196	206	73	arslan	arslan	PROPN
eurjchem-2196	206	74	;	;	PUNCT
eurjchem-2196	206	75	formal	formal	ADJ
eurjchem-2196	206	76	analysis	analysis	NOUN
eurjchem-2196	206	77	:	:	PUNCT
eurjchem-2196	206	78	cemal	cemal	PROPN
eurjchem-2196	206	79	koray	koray	PROPN
eurjchem-2196	206	80	ozer	ozer	PROPN
eurjchem-2196	206	81	,	,	PUNCT
eurjchem-2196	206	82	ummuhan	ummuhan	PROPN
eurjchem-2196	206	83	solmaz	solmaz	PROPN
eurjchem-2196	206	84	,	,	PUNCT
eurjchem-2196	206	85	hakan	hakan	PROPN
eurjchem-2196	206	86	arslan	arslan	PROPN
eurjchem-2196	206	87	;	;	PUNCT
eurjchem-2196	206	88	investigation	investigation	NOUN
eurjchem-2196	206	89	:	:	PUNCT
eurjchem-2196	206	90	ummuhan	ummuhan	PROPN
eurjchem-2196	206	91	solmaz	solmaz	PROPN
eurjchem-2196	206	92	,	,	PUNCT
eurjchem-2196	206	93	hakan	hakan	PROPN
eurjchem-2196	206	94	arslan	arslan	PROPN
eurjchem-2196	206	95	;	;	PUNCT
eurjchem-2196	206	96	resources	resource	NOUN
eurjchem-2196	206	97	:	:	PUNCT
eurjchem-2196	206	98	cemal	cemal	PROPN
eurjchem-2196	206	99	koray	koray	PROPN
eurjchem-2196	206	100	ozer	ozer	PROPN
eurjchem-2196	206	101	;	;	PUNCT
eurjchem-2196	206	102	data	data	NOUN
eurjchem-2196	206	103	curation	curation	NOUN
eurjchem-2196	206	104	:	:	PUNCT
eurjchem-2196	206	105	cemal	cemal	PROPN
eurjchem-2196	206	106	koray	koray	PROPN
eurjchem-2196	206	107	ozer	ozer	PROPN
eurjchem-2196	206	108	,	,	PUNCT
eurjchem-2196	206	109	ummuhan	ummuhan	PROPN
eurjchem-2196	206	110	solmaz	solmaz	PROPN
eurjchem-2196	206	111	,	,	PUNCT
eurjchem-2196	206	112	hakan	hakan	PROPN
eurjchem-2196	206	113	arslan	arslan	PROPN
eurjchem-2196	206	114	;	;	PUNCT
eurjchem-2196	206	115	writing	write	VERB
eurjchem-2196	206	116	original	original	ADJ
eurjchem-2196	206	117	draft	draft	NOUN
eurjchem-2196	206	118	:	:	PUNCT
eurjchem-2196	206	119	ummuhan	ummuhan	PROPN
eurjchem-2196	206	120	solmaz	solmaz	PROPN
eurjchem-2196	206	121	;	;	PUNCT
eurjchem-2196	206	122	writing	write	VERB
eurjchem-2196	206	123	review	review	NOUN
eurjchem-2196	206	124	and	and	CCONJ
eurjchem-2196	206	125	editing	editing	NOUN
eurjchem-2196	206	126	:	:	PUNCT
eurjchem-2196	206	127	cemal	cemal	PROPN
eurjchem-2196	206	128	koray	koray	PROPN
eurjchem-2196	206	129	ozer	ozer	PROPN
eurjchem-2196	206	130	,	,	PUNCT
eurjchem-2196	206	131	ummuhan	ummuhan	PROPN
eurjchem-2196	206	132	solmaz	solmaz	PROPN
eurjchem-2196	206	133	,	,	PUNCT
eurjchem-2196	206	134	hakan	hakan	PROPN
eurjchem-2196	206	135	arslan	arslan	PROPN
eurjchem-2196	206	136	;	;	PUNCT
eurjchem-2196	206	137	visualization	visualization	NOUN
eurjchem-2196	206	138	:	:	PUNCT
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eurjchem-2196	206	145	funding	funding	NOUN
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eurjchem-2196	206	148	hakan	hakan	PROPN
eurjchem-2196	206	149	arslan	arslan	PROPN
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eurjchem-2196	206	151	supervision	supervision	NOUN
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eurjchem-2196	206	153	hakan	hakan	PROPN
eurjchem-2196	206	154	arslan	arslan	PROPN
eurjchem-2196	206	155	;	;	PUNCT
eurjchem-2196	206	156	project	project	NOUN
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eurjchem-2196	206	158	:	:	PUNCT
eurjchem-2196	206	159	hakan	hakan	PROPN
eurjchem-2196	206	160	arslan	arslan	PROPN
eurjchem-2196	206	161	.	.	PUNCT
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eurjchem-2196	207	8	ozer	ozer	PROPN
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eurjchem-2196	207	13	hakan	hakan	PROPN
eurjchem-2196	207	14	arslan	arslan	PROPN
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eurjchem-2196	207	18	1	1	NUM
eurjchem-2196	207	19	]	]	PUNCT
eurjchem-2196	207	20	.	.	PUNCT
eurjchem-2196	208	1	karakus	karakus	PROPN
eurjchem-2196	208	2	,	,	PUNCT
eurjchem-2196	208	3	s.	s.	PROPN
eurjchem-2196	208	4	;	;	PUNCT
eurjchem-2196	208	5	rollas	rollas	PROPN
eurjchem-2196	208	6	,	,	PUNCT
eurjchem-2196	208	7	s.	s.	PROPN
eurjchem-2196	208	8	farmaco	farmaco	PROPN
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eurjchem-2196	208	10	,	,	PUNCT
eurjchem-2196	208	11	57	57	NUM
eurjchem-2196	208	12	(	(	PUNCT
eurjchem-2196	208	13	7	7	NUM
eurjchem-2196	208	14	)	)	PUNCT
eurjchem-2196	208	15	,	,	PUNCT
eurjchem-2196	208	16	577–581	577–581	NUM
eurjchem-2196	208	17	.	.	PUNCT
eurjchem-2196	209	1	[	[	X
eurjchem-2196	209	2	2	2	NUM
eurjchem-2196	209	3	]	]	PUNCT
eurjchem-2196	209	4	.	.	PUNCT
eurjchem-2196	210	1	solomon	solomon	PROPN
eurjchem-2196	210	2	,	,	PUNCT
eurjchem-2196	210	3	v.	v.	PROPN
eurjchem-2196	210	4	r.	r.	PROPN
eurjchem-2196	210	5	;	;	PUNCT
eurjchem-2196	210	6	haq	haq	PROPN
eurjchem-2196	210	7	,	,	PUNCT
eurjchem-2196	210	8	w.	w.	PROPN
eurjchem-2196	210	9	;	;	PUNCT
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eurjchem-2196	210	13	;	;	PUNCT
eurjchem-2196	210	14	srivastava	srivastava	PROPN
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eurjchem-2196	210	16	k.	k.	PROPN
eurjchem-2196	210	17	;	;	PUNCT
eurjchem-2196	210	18	puri	puri	PROPN
eurjchem-2196	210	19	,	,	PUNCT
eurjchem-2196	210	20	s.	s.	PROPN
eurjchem-2196	210	21	k.	k.	PROPN
eurjchem-2196	210	22	;	;	PUNCT
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eurjchem-2196	210	25	s.	s.	PROPN
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eurjchem-2196	211	1	j.	j.	PROPN
eurjchem-2196	211	2	med	med	PROPN
eurjchem-2196	211	3	.	.	PROPN
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eurjchem-2196	211	5	.	.	PUNCT
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eurjchem-2196	212	2	,	,	PUNCT
eurjchem-2196	212	3	45	45	NUM
eurjchem-2196	212	4	(	(	PUNCT
eurjchem-2196	212	5	11	11	NUM
eurjchem-2196	212	6	)	)	PUNCT
eurjchem-2196	212	7	,	,	PUNCT
eurjchem-2196	212	8	4990–4996	4990–4996	X
eurjchem-2196	212	9	.	.	PUNCT
eurjchem-2196	213	1	[	[	X
eurjchem-2196	213	2	3	3	NUM
eurjchem-2196	213	3	]	]	PUNCT
eurjchem-2196	213	4	.	.	PUNCT
eurjchem-2196	214	1	saeed	saeed	PROPN
eurjchem-2196	214	2	,	,	PUNCT
eurjchem-2196	214	3	a.	a.	NOUN
eurjchem-2196	214	4	;	;	PUNCT
eurjchem-2196	214	5	flörke	flörke	PROPN
eurjchem-2196	214	6	,	,	PUNCT
eurjchem-2196	214	7	u.	u.	PROPN
eurjchem-2196	214	8	;	;	PUNCT
eurjchem-2196	214	9	erben	erben	PROPN
eurjchem-2196	214	10	,	,	PUNCT
eurjchem-2196	214	11	m.	m.	PROPN
eurjchem-2196	214	12	f.	f.	PROPN
eurjchem-2196	214	13	j.	j.	PROPN
eurjchem-2196	214	14	sulphur	sulphur	PROPN
eurjchem-2196	214	15	chem	chem	PROPN
eurjchem-2196	214	16	.	.	PUNCT
eurjchem-2196	215	1	2014	2014	NUM
eurjchem-2196	215	2	,	,	PUNCT
eurjchem-2196	215	3	35	35	NUM
eurjchem-2196	215	4	(	(	PUNCT
eurjchem-2196	215	5	3	3	NUM
eurjchem-2196	215	6	)	)	PUNCT
eurjchem-2196	215	7	,	,	PUNCT
eurjchem-2196	215	8	318	318	NUM
eurjchem-2196	215	9	–	–	PUNCT
eurjchem-2196	215	10	355	355	NUM
eurjchem-2196	215	11	.	.	PUNCT
eurjchem-2196	216	1	[	[	X
eurjchem-2196	216	2	4	4	NUM
eurjchem-2196	216	3	]	]	PUNCT
eurjchem-2196	216	4	.	.	PUNCT
eurjchem-2196	217	1	beyer	beyer	PROPN
eurjchem-2196	217	2	,	,	PUNCT
eurjchem-2196	217	3	l.	l.	PROPN
eurjchem-2196	217	4	;	;	PUNCT
eurjchem-2196	217	5	hoyer	hoyer	PROPN
eurjchem-2196	217	6	,	,	PUNCT
eurjchem-2196	217	7	e.	e.	PROPN
eurjchem-2196	217	8	;	;	PUNCT
eurjchem-2196	217	9	liebscher	liebscher	PROPN
eurjchem-2196	217	10	,	,	PUNCT
eurjchem-2196	217	11	j.	j.	PROPN
eurjchem-2196	217	12	;	;	PUNCT
eurjchem-2196	217	13	hartmann	hartmann	PROPN
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eurjchem-2196	217	15	h.	h.	PROPN
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eurjchem-2196	217	17	chem	chem	PROPN
eurjchem-2196	217	18	.	.	PUNCT
eurjchem-2196	218	1	2010	2010	NUM
eurjchem-2196	218	2	,	,	PUNCT
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eurjchem-2196	218	4	(	(	PUNCT
eurjchem-2196	218	5	3	3	NUM
eurjchem-2196	218	6	)	)	PUNCT
eurjchem-2196	218	7	,	,	PUNCT
eurjchem-2196	218	8	81–91	81–91	NUM
eurjchem-2196	218	9	.	.	PUNCT
eurjchem-2196	219	1	[	[	X
eurjchem-2196	219	2	5	5	NUM
eurjchem-2196	219	3	]	]	PUNCT
eurjchem-2196	219	4	.	.	PUNCT
eurjchem-2196	220	1	mühl	mühl	PROPN
eurjchem-2196	220	2	,	,	PUNCT
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eurjchem-2196	220	4	;	;	PUNCT
eurjchem-2196	220	5	gloe	gloe	NOUN
eurjchem-2196	220	6	,	,	PUNCT
eurjchem-2196	220	7	k.	k.	PROPN
eurjchem-2196	220	8	;	;	PUNCT
eurjchem-2196	220	9	dietze	dietze	PROPN
eurjchem-2196	220	10	,	,	PUNCT
eurjchem-2196	220	11	f.	f.	PROPN
eurjchem-2196	220	12	;	;	PUNCT
eurjchem-2196	220	13	hoyer	hoyer	PROPN
eurjchem-2196	220	14	,	,	PUNCT
eurjchem-2196	220	15	e.	e.	PROPN
eurjchem-2196	220	16	;	;	PUNCT
eurjchem-2196	220	17	beyer	beyer	PROPN
eurjchem-2196	220	18	,	,	PUNCT
eurjchem-2196	220	19	l.	l.	PROPN
eurjchem-2196	220	20	z.	z.	PROPN
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eurjchem-2196	220	22	.	.	PUNCT
eurjchem-2196	221	1	2010	2010	NUM
eurjchem-2196	221	2	,	,	PUNCT
eurjchem-2196	221	3	26	26	NUM
eurjchem-2196	221	4	(	(	PUNCT
eurjchem-2196	221	5	3	3	NUM
eurjchem-2196	221	6	)	)	PUNCT
eurjchem-2196	221	7	,	,	PUNCT
eurjchem-2196	221	8	81–94	81–94	NUM
eurjchem-2196	221	9	.	.	PUNCT
eurjchem-2196	222	1	[	[	X
eurjchem-2196	222	2	6	6	NUM
eurjchem-2196	222	3	]	]	PUNCT
eurjchem-2196	222	4	.	.	PUNCT
eurjchem-2196	223	1	duque	duque	PROPN
eurjchem-2196	223	2	,	,	PUNCT
eurjchem-2196	223	3	j.	j.	PROPN
eurjchem-2196	223	4	;	;	PUNCT
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eurjchem-2196	223	6	-	-	PUNCT
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eurjchem-2196	223	8	,	,	PUNCT
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eurjchem-2196	223	10	;	;	PUNCT
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eurjchem-2196	223	12	,	,	PUNCT
eurjchem-2196	223	13	e.	e.	PROPN
eurjchem-2196	223	14	;	;	PUNCT
eurjchem-2196	223	15	ellena	ellena	PROPN
eurjchem-2196	223	16	,	,	PUNCT
eurjchem-2196	223	17	j.	j.	PROPN
eurjchem-2196	223	18	;	;	PUNCT
eurjchem-2196	223	19	correa	correa	PROPN
eurjchem-2196	223	20	,	,	PUNCT
eurjchem-2196	223	21	r.	r.	PROPN
eurjchem-2196	223	22	s.	s.	PROPN
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eurjchem-2196	223	24	coord	coord	PROPN
eurjchem-2196	223	25	.	.	PUNCT
eurjchem-2196	224	1	chem	chem	PROPN
eurjchem-2196	224	2	.	.	PUNCT
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eurjchem-2196	225	2	,	,	PUNCT
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eurjchem-2196	225	4	(	(	PUNCT
eurjchem-2196	225	5	17	17	NUM
eurjchem-2196	225	6	)	)	PUNCT
eurjchem-2196	225	7	,	,	PUNCT
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eurjchem-2196	225	9	.	.	PUNCT
eurjchem-2196	226	1	[	[	X
eurjchem-2196	226	2	7	7	NUM
eurjchem-2196	226	3	]	]	PUNCT
eurjchem-2196	226	4	.	.	PUNCT
eurjchem-2196	227	1	estevez	estevez	PROPN
eurjchem-2196	227	2	-	-	PUNCT
eurjchem-2196	227	3	hernandez	hernandez	PROPN
eurjchem-2196	227	4	,	,	PUNCT
eurjchem-2196	227	5	o.	o.	PROPN
eurjchem-2196	227	6	;	;	PUNCT
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eurjchem-2196	227	8	,	,	PUNCT
eurjchem-2196	227	9	j.	j.	PROPN
eurjchem-2196	227	10	;	;	PUNCT
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eurjchem-2196	227	13	hernandez	hernandez	PROPN
eurjchem-2196	227	14	,	,	PUNCT
eurjchem-2196	227	15	j.	j.	PROPN
eurjchem-2196	227	16	;	;	PUNCT
eurjchem-2196	227	17	reguera	reguera	PROPN
eurjchem-2196	227	18	,	,	PUNCT
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eurjchem-2196	227	22	,	,	PUNCT
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eurjchem-2196	227	24	,	,	PUNCT
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eurjchem-2196	227	26	.	.	PUNCT
eurjchem-2196	228	1	[	[	X
eurjchem-2196	228	2	8	8	NUM
eurjchem-2196	228	3	]	]	PUNCT
eurjchem-2196	228	4	.	.	PUNCT
eurjchem-2196	229	1	yesilkaynak	yesilkaynak	NOUN
eurjchem-2196	229	2	,	,	PUNCT
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eurjchem-2196	229	6	.	.	PUNCT
eurjchem-2196	230	1	anal	anal	PROPN
eurjchem-2196	230	2	.	.	PUNCT
eurjchem-2196	231	1	calorim	calorim	PROPN
eurjchem-2196	231	2	.	.	PUNCT
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eurjchem-2196	232	2	,	,	PUNCT
eurjchem-2196	232	3	124	124	NUM
eurjchem-2196	232	4	(	(	PUNCT
eurjchem-2196	232	5	2	2	NUM
eurjchem-2196	232	6	)	)	PUNCT
eurjchem-2196	232	7	,	,	PUNCT
eurjchem-2196	232	8	1029–1037	1029–1037	NUM
eurjchem-2196	232	9	.	.	PUNCT
eurjchem-2196	233	1	[	[	X
eurjchem-2196	233	2	9	9	NUM
eurjchem-2196	233	3	]	]	PUNCT
eurjchem-2196	233	4	.	.	PUNCT
eurjchem-2196	233	5	correa	correa	PROPN
eurjchem-2196	233	6	,	,	PUNCT
eurjchem-2196	233	7	r.	r.	PROPN
eurjchem-2196	233	8	s.	s.	PROPN
eurjchem-2196	233	9	;	;	PUNCT
eurjchem-2196	233	10	de	de	PROPN
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eurjchem-2196	233	12	,	,	PUNCT
eurjchem-2196	233	13	k.	k.	PROPN
eurjchem-2196	233	14	m.	m.	PROPN
eurjchem-2196	233	15	;	;	PUNCT
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eurjchem-2196	233	20	;	;	PUNCT
eurjchem-2196	233	21	alvarez	alvarez	PROPN
eurjchem-2196	233	22	,	,	PUNCT
eurjchem-2196	233	23	a.	a.	PROPN
eurjchem-2196	233	24	;	;	PUNCT
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eurjchem-2196	233	26	,	,	PUNCT
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eurjchem-2196	233	40	,	,	PUNCT
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eurjchem-2196	233	43	;	;	PUNCT
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eurjchem-2196	233	45	,	,	PUNCT
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eurjchem-2196	233	50	.	.	PUNCT
eurjchem-2196	234	1	biochem	biochem	PROPN
eurjchem-2196	234	2	.	.	PUNCT
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eurjchem-2196	235	2	,	,	PUNCT
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eurjchem-2196	235	4	,	,	PUNCT
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eurjchem-2196	235	6	.	.	PUNCT
eurjchem-2196	236	1	[	[	X
eurjchem-2196	236	2	10	10	NUM
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eurjchem-2196	236	4	.	.	PUNCT
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eurjchem-2196	237	2	,	,	PUNCT
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eurjchem-2196	237	4	;	;	PUNCT
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eurjchem-2196	237	6	,	,	PUNCT
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eurjchem-2196	237	8	;	;	PUNCT
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eurjchem-2196	237	10	,	,	PUNCT
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eurjchem-2196	237	13	;	;	PUNCT
eurjchem-2196	237	14	mohr	mohr	PROPN
eurjchem-2196	237	15	,	,	PUNCT
eurjchem-2196	237	16	f.	f.	PROPN
eurjchem-2196	237	17	helv	helv	PROPN
eurjchem-2196	237	18	.	.	PUNCT
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eurjchem-2196	238	2	.	.	PUNCT
eurjchem-2196	239	1	acta	acta	PROPN
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eurjchem-2196	239	3	,	,	PUNCT
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eurjchem-2196	239	5	(	(	PUNCT
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eurjchem-2196	239	7	)	)	PUNCT
eurjchem-2196	239	8	,	,	PUNCT
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eurjchem-2196	239	10	.	.	PUNCT
eurjchem-2196	240	1	[	[	X
eurjchem-2196	240	2	11	11	NUM
eurjchem-2196	240	3	]	]	PUNCT
eurjchem-2196	240	4	.	.	PUNCT
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eurjchem-2196	241	5	;	;	PUNCT
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eurjchem-2196	241	8	m.	m.	NOUN
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eurjchem-2196	241	11	shallan	shallan	VERB
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eurjchem-2196	241	15	;	;	PUNCT
eurjchem-2196	241	16	van	van	PROPN
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eurjchem-2196	241	18	,	,	PUNCT
eurjchem-2196	241	19	r.	r.	PROPN
eurjchem-2196	241	20	j.	j.	PROPN
eurjchem-2196	241	21	coord	coord	PROPN
eurjchem-2196	241	22	.	.	PUNCT
eurjchem-2196	242	1	chem	chem	PROPN
eurjchem-2196	242	2	.	.	PUNCT
eurjchem-2196	243	1	2017	2017	NUM
eurjchem-2196	243	2	,	,	PUNCT
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eurjchem-2196	243	4	(	(	PUNCT
eurjchem-2196	243	5	10	10	NUM
eurjchem-2196	243	6	)	)	PUNCT
eurjchem-2196	243	7	,	,	PUNCT
eurjchem-2196	243	8	1761–1775	1761–1775	NOUN
eurjchem-2196	243	9	.	.	PUNCT
eurjchem-2196	244	1	[	[	X
eurjchem-2196	244	2	12	12	NUM
eurjchem-2196	244	3	]	]	PUNCT
eurjchem-2196	244	4	.	.	PUNCT
eurjchem-2196	245	1	hussain	hussain	PROPN
eurjchem-2196	245	2	,	,	PUNCT
eurjchem-2196	245	3	s.	s.	PROPN
eurjchem-2196	245	4	;	;	PUNCT
eurjchem-2196	245	5	imtiaz	imtiaz	PROPN
eurjchem-2196	245	6	-	-	PUNCT
eurjchem-2196	245	7	ud	ud	PROPN
eurjchem-2196	245	8	-	-	PUNCT
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eurjchem-2196	245	10	;	;	PUNCT
eurjchem-2196	245	11	raheel	raheel	PROPN
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eurjchem-2196	245	13	a.	a.	NOUN
eurjchem-2196	245	14	;	;	PUNCT
eurjchem-2196	245	15	hussain	hussain	PROPN
eurjchem-2196	245	16	,	,	PUNCT
eurjchem-2196	245	17	s.	s.	PROPN
eurjchem-2196	245	18	;	;	PUNCT
eurjchem-2196	245	19	tahir	tahir	PROPN
eurjchem-2196	245	20	,	,	PUNCT
eurjchem-2196	245	21	m.	m.	NOUN
eurjchem-2196	245	22	n.	n.	PROPN
eurjchem-2196	245	23	;	;	PUNCT
eurjchem-2196	245	24	hussain	hussain	PROPN
eurjchem-2196	245	25	,	,	PUNCT
eurjchem-2196	245	26	i.	i.	PROPN
eurjchem-2196	245	27	j.	j.	PROPN
eurjchem-2196	245	28	coord	coord	PROPN
eurjchem-2196	245	29	.	.	PUNCT
eurjchem-2196	246	1	chem	chem	PROPN
eurjchem-2196	246	2	.	.	PUNCT
eurjchem-2196	247	1	2020	2020	NUM
eurjchem-2196	247	2	,	,	PUNCT
eurjchem-2196	247	3	73	73	NUM
eurjchem-2196	247	4	(	(	PUNCT
eurjchem-2196	247	5	7	7	NUM
eurjchem-2196	247	6	)	)	PUNCT
eurjchem-2196	247	7	,	,	PUNCT
eurjchem-2196	247	8	1191–1207	1191–1207	NUM
eurjchem-2196	247	9	.	.	PUNCT
eurjchem-2196	248	1	[	[	X
eurjchem-2196	248	2	13	13	NUM
eurjchem-2196	248	3	]	]	PUNCT
eurjchem-2196	248	4	.	.	PUNCT
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eurjchem-2196	249	2	,	,	PUNCT
eurjchem-2196	249	3	e.	e.	PROPN
eurjchem-2196	249	4	i.	i.	PROPN
eurjchem-2196	249	5	;	;	PUNCT
eurjchem-2196	249	6	schwalm	schwalm	PROPN
eurjchem-2196	249	7	,	,	PUNCT
eurjchem-2196	249	8	c.	c.	PROPN
eurjchem-2196	249	9	s.	s.	PROPN
eurjchem-2196	249	10	;	;	PUNCT
eurjchem-2196	249	11	casagrande	casagrande	PROPN
eurjchem-2196	249	12	,	,	PUNCT
eurjchem-2196	249	13	g.	g.	PROPN
eurjchem-2196	249	14	a.	a.	PROPN
eurjchem-2196	249	15	;	;	PUNCT
eurjchem-2196	249	16	tirloni	tirloni	PROPN
eurjchem-2196	249	17	,	,	PUNCT
eurjchem-2196	249	18	b.	b.	PROPN
eurjchem-2196	249	19	;	;	PUNCT
eurjchem-2196	249	20	schwade	schwade	PROPN
eurjchem-2196	249	21	,	,	PUNCT
eurjchem-2196	249	22	v.	v.	PROPN
eurjchem-2196	249	23	d.	d.	PROPN
eurjchem-2196	249	24	j.	j.	PROPN
eurjchem-2196	249	25	mol	mol	PROPN
eurjchem-2196	249	26	.	.	PROPN
eurjchem-2196	249	27	struct	struct	NOUN
eurjchem-2196	249	28	.	.	PUNCT
eurjchem-2196	250	1	2020	2020	NUM
eurjchem-2196	250	2	,	,	PUNCT
eurjchem-2196	250	3	1210	1210	NUM
eurjchem-2196	250	4	(	(	PUNCT
eurjchem-2196	250	5	127999	127999	NUM
eurjchem-2196	250	6	)	)	PUNCT
eurjchem-2196	250	7	,	,	PUNCT
eurjchem-2196	250	8	127999	127999	NUM
eurjchem-2196	250	9	.	.	PUNCT
eurjchem-2196	251	1	[	[	X
eurjchem-2196	251	2	14	14	NUM
eurjchem-2196	251	3	]	]	SYM
eurjchem-2196	251	4	.	.	PUNCT
eurjchem-2196	252	1	barnard	barnard	PROPN
eurjchem-2196	252	2	,	,	PUNCT
eurjchem-2196	252	3	i.	i.	PROPN
eurjchem-2196	252	4	;	;	PUNCT
eurjchem-2196	252	5	koch	koch	PROPN
eurjchem-2196	252	6	,	,	PUNCT
eurjchem-2196	252	7	k.	k.	PROPN
eurjchem-2196	252	8	r.	r.	PROPN
eurjchem-2196	252	9	;	;	PUNCT
eurjchem-2196	252	10	gerber	gerber	PROPN
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eurjchem-2196	252	13	j.	j.	PROPN
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eurjchem-2196	252	18	.	.	PUNCT
eurjchem-2196	252	19	2021	2021	NUM
eurjchem-2196	252	20	,	,	PUNCT
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eurjchem-2196	252	22	(	(	PUNCT
eurjchem-2196	252	23	131009	131009	NUM
eurjchem-2196	252	24	)	)	PUNCT
eurjchem-2196	252	25	,	,	PUNCT
eurjchem-2196	252	26	131009	131009	NUM
eurjchem-2196	252	27	.	.	PUNCT
eurjchem-2196	253	1	[	[	X
eurjchem-2196	253	2	15	15	NUM
eurjchem-2196	253	3	]	]	PUNCT
eurjchem-2196	253	4	.	.	PUNCT
eurjchem-2196	254	1	lapasam	lapasam	PROPN
eurjchem-2196	254	2	,	,	PUNCT
eurjchem-2196	254	3	a.	a.	NOUN
eurjchem-2196	254	4	;	;	PUNCT
eurjchem-2196	254	5	kollipara	kollipara	PROPN
eurjchem-2196	254	6	,	,	PUNCT
eurjchem-2196	254	7	m.	m.	PROPN
eurjchem-2196	254	8	r.	r.	PROPN
eurjchem-2196	254	9	phosphorus	phosphorus	PROPN
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eurjchem-2196	254	12	relat	relat	PROPN
eurjchem-2196	254	13	.	.	PUNCT
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eurjchem-2196	255	2	.	.	PUNCT
eurjchem-2196	256	1	2020	2020	NUM
eurjchem-2196	256	2	,	,	PUNCT
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eurjchem-2196	256	4	(	(	PUNCT
eurjchem-2196	256	5	10	10	NUM
eurjchem-2196	256	6	)	)	PUNCT
eurjchem-2196	256	7	,	,	PUNCT
eurjchem-2196	256	8	779–804	779–804	NUM
eurjchem-2196	256	9	.	.	PUNCT
eurjchem-2196	257	1	[	[	X
eurjchem-2196	257	2	16	16	NUM
eurjchem-2196	257	3	]	]	PUNCT
eurjchem-2196	257	4	.	.	PUNCT
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eurjchem-2196	258	2	,	,	PUNCT
eurjchem-2196	258	3	k.	k.	PROPN
eurjchem-2196	258	4	i.	i.	PROPN
eurjchem-2196	258	5	y.	y.	PROPN
eurjchem-2196	258	6	;	;	PUNCT
eurjchem-2196	258	7	khan	khan	PROPN
eurjchem-2196	258	8	,	,	PUNCT
eurjchem-2196	258	9	m.	m.	NOUN
eurjchem-2196	258	10	d.	d.	PROPN
eurjchem-2196	258	11	;	;	PUNCT
eurjchem-2196	258	12	mlowe	mlowe	NOUN
eurjchem-2196	258	13	,	,	PUNCT
eurjchem-2196	258	14	s.	s.	PROPN
eurjchem-2196	258	15	;	;	PUNCT
eurjchem-2196	258	16	akerman	akerman	NOUN
eurjchem-2196	258	17	,	,	PUNCT
eurjchem-2196	258	18	m.	m.	NOUN
eurjchem-2196	258	19	p.	p.	PROPN
eurjchem-2196	258	20	;	;	PUNCT
eurjchem-2196	258	21	vitoricayrezabal	vitoricayrezabal	PROPN
eurjchem-2196	258	22	,	,	PUNCT
eurjchem-2196	258	23	i.	i.	PROPN
eurjchem-2196	258	24	;	;	PUNCT
eurjchem-2196	258	25	whitehead	whitehead	PROPN
eurjchem-2196	258	26	,	,	PUNCT
eurjchem-2196	258	27	g.	g.	PROPN
eurjchem-2196	258	28	;	;	PUNCT
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eurjchem-2196	258	30	,	,	PUNCT
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eurjchem-2196	258	32	d.	d.	PROPN
eurjchem-2196	258	33	;	;	PUNCT
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eurjchem-2196	258	35	,	,	PUNCT
eurjchem-2196	258	36	p.	p.	PROPN
eurjchem-2196	258	37	t.	t.	PROPN
eurjchem-2196	258	38	;	;	PUNCT
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eurjchem-2196	258	40	,	,	PUNCT
eurjchem-2196	258	41	n.	n.	NOUN
eurjchem-2196	258	42	;	;	PUNCT
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eurjchem-2196	258	44	,	,	PUNCT
eurjchem-2196	258	45	p.	p.	PROPN
eurjchem-2196	258	46	j.	j.	PROPN
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eurjchem-2196	258	48	.	.	PROPN
eurjchem-2196	258	49	struct	struct	NOUN
eurjchem-2196	258	50	.	.	PUNCT
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eurjchem-2196	258	52	,	,	PUNCT
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eurjchem-2196	258	54	(	(	PUNCT
eurjchem-2196	258	55	129791	129791	NUM
eurjchem-2196	258	56	)	)	PUNCT
eurjchem-2196	258	57	,	,	PUNCT
eurjchem-2196	258	58	129791	129791	NUM
eurjchem-2196	258	59	.	.	PUNCT
eurjchem-2196	259	1	[	[	X
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eurjchem-2196	259	3	]	]	PUNCT
eurjchem-2196	259	4	.	.	PUNCT
eurjchem-2196	259	5	cunha	cunha	PROPN
eurjchem-2196	259	6	,	,	PUNCT
eurjchem-2196	259	7	b.	b.	PROPN
eurjchem-2196	259	8	n.	n.	PROPN
eurjchem-2196	259	9	;	;	PUNCT
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eurjchem-2196	259	13	,	,	PUNCT
eurjchem-2196	259	14	l.	l.	PROPN
eurjchem-2196	259	15	;	;	PUNCT
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eurjchem-2196	259	17	,	,	PUNCT
eurjchem-2196	259	18	a.	a.	NOUN
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eurjchem-2196	259	20	;	;	PUNCT
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eurjchem-2196	259	22	,	,	PUNCT
eurjchem-2196	259	23	r.	r.	PROPN
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eurjchem-2196	259	25	;	;	PUNCT
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eurjchem-2196	259	27	,	,	PUNCT
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eurjchem-2196	259	29	;	;	PUNCT
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eurjchem-2196	259	31	,	,	PUNCT
eurjchem-2196	259	32	r.	r.	PROPN
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eurjchem-2196	259	34	;	;	PUNCT
eurjchem-2196	259	35	de	de	PROPN
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eurjchem-2196	259	37	,	,	PUNCT
eurjchem-2196	259	38	t.	t.	PROPN
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eurjchem-2196	259	40	;	;	PUNCT
eurjchem-2196	259	41	cominetti	cominetti	PROPN
eurjchem-2196	259	42	,	,	PUNCT
eurjchem-2196	259	43	m.	m.	PROPN
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eurjchem-2196	259	45	;	;	PUNCT
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eurjchem-2196	259	47	,	,	PUNCT
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eurjchem-2196	259	50	;	;	PUNCT
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eurjchem-2196	259	52	,	,	PUNCT
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eurjchem-2196	259	56	.	.	PUNCT
eurjchem-2196	260	1	chem	chem	PROPN
eurjchem-2196	260	2	.	.	PUNCT
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eurjchem-2196	261	2	,	,	PUNCT
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eurjchem-2196	261	4	(	(	PUNCT
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eurjchem-2196	261	6	)	)	PUNCT
eurjchem-2196	261	7	,	,	PUNCT
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eurjchem-2196	261	9	.	.	PUNCT
eurjchem-2196	262	1	[	[	X
eurjchem-2196	262	2	18	18	NUM
eurjchem-2196	262	3	]	]	PUNCT
eurjchem-2196	262	4	.	.	PUNCT
eurjchem-2196	263	1	nkabyo	nkabyo	PROPN
eurjchem-2196	263	2	,	,	PUNCT
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eurjchem-2196	263	4	a.	a.	PROPN
eurjchem-2196	263	5	;	;	PUNCT
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eurjchem-2196	263	7	,	,	PUNCT
eurjchem-2196	263	8	i.	i.	PROPN
eurjchem-2196	263	9	;	;	PUNCT
eurjchem-2196	263	10	koch	koch	PROPN
eurjchem-2196	263	11	,	,	PUNCT
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eurjchem-2196	263	14	;	;	PUNCT
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eurjchem-2196	263	20	.	.	PUNCT
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eurjchem-2196	264	2	.	.	PUNCT
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eurjchem-2196	265	2	.	.	PROPN
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eurjchem-2196	265	4	,	,	PUNCT
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eurjchem-2196	265	6	(	(	PUNCT
eurjchem-2196	265	7	213588	213588	NUM
eurjchem-2196	265	8	)	)	PUNCT
eurjchem-2196	265	9	,	,	PUNCT
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eurjchem-2196	265	11	.	.	PUNCT
eurjchem-2196	266	1	[	[	X
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eurjchem-2196	266	4	.	.	PUNCT
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eurjchem-2196	267	2	,	,	PUNCT
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eurjchem-2196	267	5	;	;	PUNCT
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eurjchem-2196	267	7	,	,	PUNCT
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eurjchem-2196	267	9	;	;	PUNCT
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eurjchem-2196	267	13	;	;	PUNCT
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eurjchem-2196	267	17	;	;	PUNCT
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eurjchem-2196	267	23	,	,	PUNCT
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eurjchem-2196	267	27	)	)	PUNCT
eurjchem-2196	267	28	,	,	PUNCT
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eurjchem-2196	267	30	.	.	PUNCT
eurjchem-2196	268	1	[	[	X
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eurjchem-2196	268	4	.	.	PUNCT
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eurjchem-2196	269	2	,	,	PUNCT
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eurjchem-2196	269	5	;	;	PUNCT
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eurjchem-2196	269	7	,	,	PUNCT
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eurjchem-2196	269	10	.	.	PUNCT
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eurjchem-2196	302	12	;	;	PUNCT
eurjchem-2196	302	13	flörke	flörke	PROPN
eurjchem-2196	302	14	,	,	PUNCT
eurjchem-2196	302	15	u.	u.	PROPN
eurjchem-2196	302	16	;	;	PUNCT
eurjchem-2196	302	17	kulcu	kulcu	PROPN
eurjchem-2196	302	18	,	,	PUNCT
eurjchem-2196	302	19	n.	n.	PROPN
eurjchem-2196	302	20	;	;	PUNCT
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eurjchem-2196	302	22	,	,	PUNCT
eurjchem-2196	302	23	h.	h.	PROPN
eurjchem-2196	302	24	j.	j.	PROPN
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eurjchem-2196	302	26	.	.	PROPN
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eurjchem-2196	302	28	.	.	PUNCT
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eurjchem-2196	303	2	,	,	PUNCT
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eurjchem-2196	303	4	,	,	PUNCT
eurjchem-2196	303	5	519–529	519–529	NUM
eurjchem-2196	303	6	.	.	PUNCT
eurjchem-2196	304	1	[	[	X
eurjchem-2196	304	2	32	32	NUM
eurjchem-2196	304	3	]	]	PUNCT
eurjchem-2196	304	4	.	.	PUNCT
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eurjchem-2196	305	2	,	,	PUNCT
eurjchem-2196	305	3	h.	h.	PROPN
eurjchem-2196	305	4	;	;	PUNCT
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eurjchem-2196	305	6	,	,	PUNCT
eurjchem-2196	305	7	u.	u.	PROPN
eurjchem-2196	305	8	;	;	PUNCT
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eurjchem-2196	305	10	,	,	PUNCT
eurjchem-2196	305	11	n.	n.	PROPN
eurjchem-2196	305	12	acta	acta	PROPN
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eurjchem-2196	305	14	.	.	PUNCT
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eurjchem-2196	306	2	.	.	PUNCT
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eurjchem-2196	307	3	.	.	PUNCT
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eurjchem-2196	308	5	,	,	PUNCT
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eurjchem-2196	308	7	(	(	PUNCT
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eurjchem-2196	308	9	)	)	PUNCT
eurjchem-2196	308	10	,	,	PUNCT
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eurjchem-2196	308	12	–	–	PUNCT
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eurjchem-2196	308	14	.	.	PUNCT
eurjchem-2196	309	1	[	[	X
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eurjchem-2196	309	3	]	]	PUNCT
eurjchem-2196	309	4	.	.	PUNCT
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eurjchem-2196	310	2	,	,	PUNCT
eurjchem-2196	310	3	h.	h.	PROPN
eurjchem-2196	310	4	;	;	PUNCT
eurjchem-2196	310	5	flörke	flörke	PROPN
eurjchem-2196	310	6	,	,	PUNCT
eurjchem-2196	310	7	u.	u.	PROPN
eurjchem-2196	310	8	;	;	PUNCT
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eurjchem-2196	310	11	n.	n.	PROPN
eurjchem-2196	310	12	j.	j.	PROPN
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eurjchem-2196	310	14	.	.	PUNCT
eurjchem-2196	311	1	crystallogr	crystallogr	PROPN
eurjchem-2196	311	2	.	.	PUNCT
eurjchem-2196	312	1	2003	2003	NUM
eurjchem-2196	312	2	,	,	PUNCT
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eurjchem-2196	312	4	(	(	PUNCT
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eurjchem-2196	312	6	)	)	PUNCT
eurjchem-2196	312	7	,	,	PUNCT
eurjchem-2196	312	8	919–924	919–924	NUM
eurjchem-2196	312	9	.	.	PUNCT
eurjchem-2196	313	1	[	[	X
eurjchem-2196	313	2	34	34	NUM
eurjchem-2196	313	3	]	]	PUNCT
eurjchem-2196	313	4	.	.	PUNCT
eurjchem-2196	314	1	ozpozan	ozpozan	PROPN
eurjchem-2196	314	2	,	,	PUNCT
eurjchem-2196	314	3	n.	n.	PROPN
eurjchem-2196	314	4	;	;	PUNCT
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eurjchem-2196	314	6	,	,	PUNCT
eurjchem-2196	314	7	h.	h.	PROPN
eurjchem-2196	314	8	;	;	PUNCT
eurjchem-2196	314	9	ozpozan	ozpozan	PROPN
eurjchem-2196	314	10	,	,	PUNCT
eurjchem-2196	314	11	t.	t.	PROPN
eurjchem-2196	314	12	;	;	PUNCT
eurjchem-2196	314	13	merdivan	merdivan	PROPN
eurjchem-2196	314	14	,	,	PUNCT
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eurjchem-2196	314	16	;	;	PUNCT
eurjchem-2196	314	17	külcü	külcü	PROPN
eurjchem-2196	314	18	,	,	PUNCT
eurjchem-2196	314	19	n.	n.	PROPN
eurjchem-2196	314	20	j.	j.	PROPN
eurjchem-2196	314	21	therm	therm	PROPN
eurjchem-2196	314	22	.	.	PUNCT
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eurjchem-2196	315	2	.	.	PUNCT
eurjchem-2196	316	1	calorim	calorim	PROPN
eurjchem-2196	316	2	.	.	PUNCT
eurjchem-2196	317	1	2000	2000	NUM
eurjchem-2196	317	2	,	,	PUNCT
eurjchem-2196	317	3	61	61	NUM
eurjchem-2196	317	4	(	(	PUNCT
eurjchem-2196	317	5	3	3	NUM
eurjchem-2196	317	6	)	)	PUNCT
eurjchem-2196	317	7	,	,	PUNCT
eurjchem-2196	317	8	955–965	955–965	NUM
eurjchem-2196	317	9	.	.	PUNCT
eurjchem-2196	318	1	[	[	X
eurjchem-2196	318	2	35	35	NUM
eurjchem-2196	318	3	]	]	PUNCT
eurjchem-2196	318	4	.	.	PUNCT
eurjchem-2196	319	1	solmaz	solmaz	PROPN
eurjchem-2196	319	2	,	,	PUNCT
eurjchem-2196	319	3	u.	u.	PROPN
eurjchem-2196	319	4	;	;	PUNCT
eurjchem-2196	319	5	gumus	gumus	PROPN
eurjchem-2196	319	6	,	,	PUNCT
eurjchem-2196	319	7	i.	i.	PROPN
eurjchem-2196	319	8	;	;	PUNCT
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eurjchem-2196	319	11	m.	m.	PROPN
eurjchem-2196	319	12	k.	k.	PROPN
eurjchem-2196	319	13	;	;	PUNCT
eurjchem-2196	319	14	ince	ince	PROPN
eurjchem-2196	319	15	,	,	PUNCT
eurjchem-2196	319	16	s.	s.	PROPN
eurjchem-2196	319	17	;	;	PUNCT
eurjchem-2196	319	18	arslan	arslan	PROPN
eurjchem-2196	319	19	,	,	PUNCT
eurjchem-2196	319	20	h.	h.	PROPN
eurjchem-2196	319	21	appl	appl	PROPN
eurjchem-2196	319	22	.	.	PUNCT
eurjchem-2196	320	1	organomet	organomet	PROPN
eurjchem-2196	320	2	.	.	PUNCT
eurjchem-2196	321	1	chem	chem	NOUN
eurjchem-2196	321	2	.	.	PUNCT
eurjchem-2196	322	1	2021	2021	NUM
eurjchem-2196	322	2	,	,	PUNCT
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eurjchem-2196	322	4	(	(	PUNCT
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eurjchem-2196	322	6	)	)	PUNCT
eurjchem-2196	322	7	,	,	PUNCT
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eurjchem-2196	322	9	.	.	PUNCT
eurjchem-2196	323	1	[	[	X
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eurjchem-2196	323	3	]	]	PUNCT
eurjchem-2196	323	4	.	.	PUNCT
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eurjchem-2196	324	2	,	,	PUNCT
eurjchem-2196	324	3	o.	o.	PROPN
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eurjchem-2196	324	5	;	;	PUNCT
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eurjchem-2196	324	7	,	,	PUNCT
eurjchem-2196	324	8	l.	l.	PROPN
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eurjchem-2196	324	10	;	;	PUNCT
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eurjchem-2196	324	12	,	,	PUNCT
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eurjchem-2196	324	14	j.	j.	PROPN
eurjchem-2196	324	15	;	;	PUNCT
eurjchem-2196	324	16	howard	howard	PROPN
eurjchem-2196	324	17	,	,	PUNCT
eurjchem-2196	324	18	j.	j.	PROPN
eurjchem-2196	324	19	a.	a.	PROPN
eurjchem-2196	324	20	k.	k.	PROPN
eurjchem-2196	324	21	;	;	PUNCT
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eurjchem-2196	324	23	,	,	PUNCT
eurjchem-2196	324	24	h.	h.	PROPN
eurjchem-2196	324	25	j.	j.	PROPN
eurjchem-2196	324	26	appl	appl	PROPN
eurjchem-2196	324	27	.	.	PROPN
eurjchem-2196	325	1	crystallogr	crystallogr	PROPN
eurjchem-2196	325	2	.	.	PUNCT
eurjchem-2196	326	1	2009	2009	NUM
eurjchem-2196	326	2	,	,	PUNCT
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eurjchem-2196	326	4	(	(	PUNCT
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eurjchem-2196	326	6	)	)	PUNCT
eurjchem-2196	326	7	,	,	PUNCT
eurjchem-2196	326	8	339–341	339–341	NUM
eurjchem-2196	326	9	.	.	PUNCT
eurjchem-2196	327	1	[	[	X
eurjchem-2196	327	2	37	37	NUM
eurjchem-2196	327	3	]	]	PUNCT
eurjchem-2196	327	4	.	.	PUNCT
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eurjchem-2196	327	6	,	,	PUNCT
eurjchem-2196	327	7	l.	l.	PROPN
eurjchem-2196	327	8	;	;	PUNCT
eurjchem-2196	327	9	chapuis	chapuis	PROPN
eurjchem-2196	327	10	,	,	PUNCT
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eurjchem-2196	327	12	j.	j.	PROPN
eurjchem-2196	327	13	appl	appl	PROPN
eurjchem-2196	327	14	.	.	PROPN
eurjchem-2196	328	1	crystallogr	crystallogr	PROPN
eurjchem-2196	328	2	.	.	PUNCT
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eurjchem-2196	329	2	,	,	PUNCT
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eurjchem-2196	329	7	,	,	PUNCT
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eurjchem-2196	329	9	.	.	PUNCT
eurjchem-2196	330	1	[	[	X
eurjchem-2196	330	2	38	38	NUM
eurjchem-2196	330	3	]	]	PUNCT
eurjchem-2196	330	4	.	.	PUNCT
eurjchem-2196	330	5	palatinus	palatinus	PROPN
eurjchem-2196	330	6	,	,	PUNCT
eurjchem-2196	330	7	l.	l.	PROPN
eurjchem-2196	330	8	;	;	PUNCT
eurjchem-2196	330	9	van	van	PROPN
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eurjchem-2196	330	12	,	,	PUNCT
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eurjchem-2196	331	1	crystallogr	crystallogr	PROPN
eurjchem-2196	331	2	.	.	PUNCT
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eurjchem-2196	332	2	,	,	PUNCT
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eurjchem-2196	332	4	(	(	PUNCT
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eurjchem-2196	332	6	)	)	PUNCT
eurjchem-2196	332	7	,	,	PUNCT
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eurjchem-2196	332	9	.	.	PUNCT
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eurjchem-2196	333	2	39	39	NUM
eurjchem-2196	333	3	]	]	PUNCT
eurjchem-2196	333	4	.	.	PUNCT
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eurjchem-2196	333	6	,	,	PUNCT
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eurjchem-2196	333	8	;	;	PUNCT
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eurjchem-2196	333	10	,	,	PUNCT
eurjchem-2196	333	11	s.	s.	PROPN
eurjchem-2196	333	12	j.	j.	PROPN
eurjchem-2196	333	13	;	;	PUNCT
eurjchem-2196	333	14	van	van	PROPN
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eurjchem-2196	333	16	,	,	PUNCT
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eurjchem-2196	333	20	.	.	PROPN
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eurjchem-2196	334	2	.	.	PUNCT
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eurjchem-2196	335	2	,	,	PUNCT
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eurjchem-2196	335	6	)	)	PUNCT
eurjchem-2196	335	7	,	,	PUNCT
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eurjchem-2196	335	9	.	.	PUNCT
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eurjchem-2196	336	3	]	]	PUNCT
eurjchem-2196	336	4	.	.	PUNCT
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eurjchem-2196	337	7	.	.	PUNCT
eurjchem-2196	338	1	c	c	PROPN
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eurjchem-2196	338	3	.	.	PUNCT
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eurjchem-2196	339	2	.	.	PUNCT
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eurjchem-2196	340	2	,	,	PUNCT
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eurjchem-2196	340	7	)	)	PUNCT
eurjchem-2196	340	8	,	,	PUNCT
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eurjchem-2196	341	4	.	.	PUNCT
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eurjchem-2196	341	9	;	;	PUNCT
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eurjchem-2196	341	14	;	;	PUNCT
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eurjchem-2196	341	16	,	,	PUNCT
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eurjchem-2196	341	19	;	;	PUNCT
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eurjchem-2196	341	21	,	,	PUNCT
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eurjchem-2196	341	24	;	;	PUNCT
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eurjchem-2196	341	34	;	;	PUNCT
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eurjchem-2196	341	36	,	,	PUNCT
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eurjchem-2196	341	38	;	;	PUNCT
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eurjchem-2196	341	40	,	,	PUNCT
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eurjchem-2196	341	42	;	;	PUNCT
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eurjchem-2196	341	47	;	;	PUNCT
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eurjchem-2196	341	51	;	;	PUNCT
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eurjchem-2196	341	54	x.	x.	PROPN
eurjchem-2196	341	55	;	;	PUNCT
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eurjchem-2196	341	59	;	;	PUNCT
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eurjchem-2196	341	77	;	;	PUNCT
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eurjchem-2196	341	79	,	,	PUNCT
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eurjchem-2196	341	84	h.	h.	PROPN
eurjchem-2196	341	85	p.	p.	PROPN
eurjchem-2196	341	86	;	;	PUNCT
eurjchem-2196	341	87	ortiz	ortiz	PROPN
eurjchem-2196	341	88	,	,	PUNCT
eurjchem-2196	341	89	j.	j.	PROPN
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eurjchem-2196	341	91	;	;	PUNCT
eurjchem-2196	341	92	izmaylov	izmaylov	ADJ
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eurjchem-2196	341	94	a.	a.	PROPN
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eurjchem-2196	341	97	sonnenberg	sonnenberg	PROPN
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eurjchem-2196	341	99	j.	j.	PROPN
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eurjchem-2196	341	102	williams	williams	PROPN
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eurjchem-2196	341	108	ding	ding	PROPN
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eurjchem-2196	341	110	f.	f.	PROPN
eurjchem-2196	341	111	;	;	PUNCT
eurjchem-2196	341	112	lipparini	lipparini	PROPN
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eurjchem-2196	341	114	f.	f.	PROPN
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eurjchem-2196	341	118	f.	f.	PROPN
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eurjchem-2196	341	122	j.	j.	PROPN
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eurjchem-2196	341	124	peng	peng	PROPN
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eurjchem-2196	341	126	b.	b.	PROPN
eurjchem-2196	341	127	;	;	PUNCT
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eurjchem-2196	341	131	;	;	PUNCT
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eurjchem-2196	341	134	t.	t.	PROPN
eurjchem-2196	341	135	;	;	PUNCT
eurjchem-2196	341	136	ranasinghe	ranasinghe	NOUN
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eurjchem-2196	341	138	d.	d.	PROPN
eurjchem-2196	341	139	;	;	PUNCT
eurjchem-2196	341	140	zakrzewski	zakrzewski	PROPN
eurjchem-2196	341	141	,	,	PUNCT
eurjchem-2196	341	142	v.	v.	PROPN
eurjchem-2196	341	143	g.	g.	PROPN
eurjchem-2196	341	144	;	;	PUNCT
eurjchem-2196	341	145	gao	gao	PROPN
eurjchem-2196	341	146	,	,	PUNCT
eurjchem-2196	341	147	j.	j.	PROPN
eurjchem-2196	341	148	;	;	PUNCT
eurjchem-2196	341	149	rega	rega	PROPN
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eurjchem-2196	341	151	n.	n.	PROPN
eurjchem-2196	341	152	;	;	PUNCT
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eurjchem-2196	341	155	g.	g.	PROPN
eurjchem-2196	341	156	;	;	PUNCT
eurjchem-2196	341	157	liang	liang	PROPN
eurjchem-2196	341	158	,	,	PUNCT
eurjchem-2196	341	159	w.	w.	PROPN
eurjchem-2196	341	160	;	;	PUNCT
eurjchem-2196	341	161	hada	hada	PROPN
eurjchem-2196	341	162	,	,	PUNCT
eurjchem-2196	341	163	m.	m.	NOUN
eurjchem-2196	341	164	;	;	PUNCT
eurjchem-2196	341	165	ehara	ehara	PROPN
eurjchem-2196	341	166	,	,	PUNCT
eurjchem-2196	341	167	m.	m.	NOUN
eurjchem-2196	341	168	;	;	PUNCT
eurjchem-2196	341	169	toyota	toyota	PROPN
eurjchem-2196	341	170	,	,	PUNCT
eurjchem-2196	341	171	k.	k.	PROPN
eurjchem-2196	341	172	;	;	PUNCT
eurjchem-2196	341	173	fukuda	fukuda	PROPN
eurjchem-2196	341	174	,	,	PUNCT
eurjchem-2196	341	175	r.	r.	PROPN
eurjchem-2196	341	176	;	;	PUNCT
eurjchem-2196	341	177	hasegawa	hasegawa	PROPN
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eurjchem-2196	341	179	j.	j.	PROPN
eurjchem-2196	341	180	;	;	PUNCT
eurjchem-2196	341	181	ishida	ishida	PROPN
eurjchem-2196	341	182	,	,	PUNCT
eurjchem-2196	341	183	m.	m.	NOUN
eurjchem-2196	341	184	;	;	PUNCT
eurjchem-2196	341	185	nakajima	nakajima	PROPN
eurjchem-2196	341	186	,	,	PUNCT
eurjchem-2196	341	187	t.	t.	PROPN
eurjchem-2196	341	188	;	;	PUNCT
eurjchem-2196	341	189	honda	honda	NOUN
eurjchem-2196	341	190	,	,	PUNCT
eurjchem-2196	341	191	y.	y.	PROPN
eurjchem-2196	341	192	;	;	PUNCT
eurjchem-2196	341	193	kitao	kitao	PROPN
eurjchem-2196	341	194	,	,	PUNCT
eurjchem-2196	341	195	o.	o.	PROPN
eurjchem-2196	341	196	;	;	PUNCT
eurjchem-2196	341	197	nakai	nakai	PROPN
eurjchem-2196	341	198	,	,	PUNCT
eurjchem-2196	341	199	h.	h.	PROPN
eurjchem-2196	341	200	;	;	PUNCT
eurjchem-2196	341	201	vreven	vreven	VERB
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eurjchem-2196	341	203	t.	t.	PROPN
eurjchem-2196	341	204	;	;	PUNCT
eurjchem-2196	341	205	throssell	throssell	NOUN
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eurjchem-2196	341	207	k.	k.	PROPN
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eurjchem-2196	341	211	j.	j.	PROPN
eurjchem-2196	341	212	a.	a.	PROPN
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eurjchem-2196	341	214	jr	jr	PROPN
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eurjchem-2196	341	216	;	;	PUNCT
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eurjchem-2196	341	219	j.	j.	PROPN
eurjchem-2196	341	220	e.	e.	PROPN
eurjchem-2196	341	221	;	;	PUNCT
eurjchem-2196	341	222	ogliaro	ogliaro	PROPN
eurjchem-2196	341	223	,	,	PUNCT
eurjchem-2196	341	224	f.	f.	PROPN
eurjchem-2196	341	225	;	;	PUNCT
eurjchem-2196	341	226	bearpark	bearpark	PROPN
eurjchem-2196	341	227	,	,	PUNCT
eurjchem-2196	341	228	m.	m.	NOUN
eurjchem-2196	341	229	j.	j.	PROPN
eurjchem-2196	341	230	;	;	PUNCT
eurjchem-2196	341	231	heyd	heyd	PROPN
eurjchem-2196	341	232	,	,	PUNCT
eurjchem-2196	341	233	j.	j.	PROPN
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eurjchem-2196	341	235	;	;	PUNCT
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eurjchem-2196	341	237	,	,	PUNCT
eurjchem-2196	341	238	e.	e.	PROPN
eurjchem-2196	341	239	n.	n.	PROPN
eurjchem-2196	341	240	;	;	PUNCT
eurjchem-2196	341	241	kudin	kudin	PROPN
eurjchem-2196	341	242	,	,	PUNCT
eurjchem-2196	341	243	k.	k.	PROPN
eurjchem-2196	341	244	n.	n.	PROPN
eurjchem-2196	341	245	;	;	PUNCT
eurjchem-2196	341	246	staroverov	staroverov	X
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eurjchem-2196	341	248	v.	v.	ADP
eurjchem-2196	341	249	n.	n.	NOUN
eurjchem-2196	341	250	;	;	PUNCT
eurjchem-2196	341	251	keith	keith	PROPN
eurjchem-2196	341	252	,	,	PUNCT
eurjchem-2196	341	253	t.	t.	PROPN
eurjchem-2196	341	254	a.	a.	PROPN
eurjchem-2196	341	255	;	;	PUNCT
eurjchem-2196	341	256	kobayashi	kobayashi	PROPN
eurjchem-2196	341	257	,	,	PUNCT
eurjchem-2196	341	258	r.	r.	PROPN
eurjchem-2196	341	259	;	;	PUNCT
eurjchem-2196	341	260	normand	normand	PROPN
eurjchem-2196	341	261	,	,	PUNCT
eurjchem-2196	341	262	j.	j.	PROPN
eurjchem-2196	341	263	;	;	PUNCT
eurjchem-2196	341	264	raghavachari	raghavachari	PROPN
eurjchem-2196	341	265	,	,	PUNCT
eurjchem-2196	341	266	k.	k.	PROPN
eurjchem-2196	341	267	;	;	PUNCT
eurjchem-2196	341	268	rendell	rendell	PROPN
eurjchem-2196	341	269	,	,	PUNCT
eurjchem-2196	341	270	a.	a.	NOUN
eurjchem-2196	341	271	p.	p.	NOUN
eurjchem-2196	341	272	;	;	PUNCT
eurjchem-2196	341	273	burant	burant	PROPN
eurjchem-2196	341	274	,	,	PUNCT
eurjchem-2196	341	275	j.	j.	PROPN
eurjchem-2196	341	276	c.	c.	PROPN
eurjchem-2196	341	277	;	;	PUNCT
eurjchem-2196	341	278	iyengar	iyengar	PROPN
eurjchem-2196	341	279	,	,	PUNCT
eurjchem-2196	341	280	s.	s.	PROPN
eurjchem-2196	341	281	s.	s.	PROPN
eurjchem-2196	341	282	;	;	PUNCT
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eurjchem-2196	341	285	j.	j.	PROPN
eurjchem-2196	341	286	;	;	PUNCT
eurjchem-2196	341	287	cossi	cossi	PROPN
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eurjchem-2196	341	289	m.	m.	NOUN
eurjchem-2196	341	290	;	;	PUNCT
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eurjchem-2196	341	293	j.	j.	PROPN
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eurjchem-2196	341	295	;	;	PUNCT
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eurjchem-2196	341	297	,	,	PUNCT
eurjchem-2196	341	298	m.	m.	NOUN
eurjchem-2196	341	299	;	;	PUNCT
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eurjchem-2196	341	302	c.	c.	PROPN
eurjchem-2196	341	303	;	;	PUNCT
eurjchem-2196	341	304	cammi	cammi	PROPN
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eurjchem-2196	341	306	r.	r.	PROPN
eurjchem-2196	341	307	;	;	PUNCT
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eurjchem-2196	341	310	j.	j.	PROPN
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eurjchem-2196	341	312	;	;	PUNCT
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eurjchem-2196	341	317	;	;	PUNCT
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eurjchem-2196	341	320	k.	k.	PROPN
eurjchem-2196	341	321	;	;	PUNCT
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eurjchem-2196	341	323	,	,	PUNCT
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eurjchem-2196	341	325	;	;	PUNCT
eurjchem-2196	341	326	foresman	foresman	PROPN
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eurjchem-2196	341	328	j.	j.	PROPN
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eurjchem-2196	341	330	;	;	PUNCT
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eurjchem-2196	341	332	,	,	PUNCT
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eurjchem-2196	341	342	,	,	PUNCT
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eurjchem-2196	341	345	,	,	PUNCT
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eurjchem-2196	341	348	,	,	PUNCT
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eurjchem-2196	341	350	.	.	PUNCT
eurjchem-2196	342	1	[	[	X
eurjchem-2196	342	2	42	42	NUM
eurjchem-2196	342	3	]	]	PUNCT
eurjchem-2196	342	4	.	.	PUNCT
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eurjchem-2196	344	2	.	.	PUNCT
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eurjchem-2196	345	2	,	,	PUNCT
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eurjchem-2196	345	7	,	,	PUNCT
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eurjchem-2196	346	4	.	.	PUNCT
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eurjchem-2196	347	5	;	;	PUNCT
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eurjchem-2196	347	10	;	;	PUNCT
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eurjchem-2196	348	5	,	,	PUNCT
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eurjchem-2196	348	12	.	.	PUNCT
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eurjchem-2196	349	4	.	.	PUNCT
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eurjchem-2196	350	2	,	,	PUNCT
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eurjchem-2196	350	4	;	;	PUNCT
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eurjchem-2196	350	6	,	,	PUNCT
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eurjchem-2196	350	8	a.	a.	NOUN
eurjchem-2196	350	9	;	;	PUNCT
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eurjchem-2196	351	1	[	[	X
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eurjchem-2196	351	3	]	]	PUNCT
eurjchem-2196	351	4	.	.	PUNCT
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eurjchem-2196	352	2	,	,	PUNCT
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eurjchem-2196	352	5	;	;	PUNCT
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eurjchem-2196	352	7	,	,	PUNCT
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eurjchem-2196	353	2	.	.	PUNCT
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eurjchem-2196	354	4	)	)	PUNCT
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eurjchem-2196	355	2	,	,	PUNCT
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eurjchem-2196	355	6	,	,	PUNCT
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eurjchem-2196	355	8	.	.	PUNCT
eurjchem-2196	356	1	[	[	X
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eurjchem-2196	356	3	]	]	PUNCT
eurjchem-2196	356	4	.	.	PUNCT
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eurjchem-2196	356	6	,	,	PUNCT
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eurjchem-2196	356	20	,	,	PUNCT
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eurjchem-2196	357	3	]	]	PUNCT
eurjchem-2196	357	4	.	.	PUNCT
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eurjchem-2196	359	2	.	.	PUNCT
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eurjchem-2196	361	4	.	.	PUNCT
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eurjchem-2196	362	2	,	,	PUNCT
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eurjchem-2196	362	5	;	;	PUNCT
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eurjchem-2196	362	7	,	,	PUNCT
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eurjchem-2196	362	12	,	,	PUNCT
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eurjchem-2196	362	17	,	,	PUNCT
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eurjchem-2196	362	19	–	–	PUNCT
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eurjchem-2196	362	21	.	.	PUNCT
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eurjchem-2196	363	3	]	]	PUNCT
eurjchem-2196	363	4	.	.	PUNCT
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eurjchem-2196	363	6	,	,	PUNCT
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eurjchem-2196	363	9	;	;	PUNCT
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eurjchem-2196	363	12	j.	j.	PROPN
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eurjchem-2196	363	14	;	;	PUNCT
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eurjchem-2196	363	16	,	,	PUNCT
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eurjchem-2196	363	18	crystengcomm	crystengcomm	PROPN
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eurjchem-2196	363	20	,	,	PUNCT
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eurjchem-2196	363	24	)	)	PUNCT
eurjchem-2196	363	25	,	,	PUNCT
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eurjchem-2196	363	27	.	.	PUNCT
eurjchem-2196	364	1	[	[	X
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eurjchem-2196	364	3	]	]	PUNCT
eurjchem-2196	364	4	.	.	PUNCT
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eurjchem-2196	365	2	,	,	PUNCT
eurjchem-2196	365	3	d.	d.	PROPN
eurjchem-2196	365	4	;	;	PUNCT
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eurjchem-2196	365	6	,	,	PUNCT
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eurjchem-2196	365	21	.	.	PUNCT
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eurjchem-2196	366	7	;	;	PUNCT
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eurjchem-2196	366	11	:	:	PUNCT
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eurjchem-2196	366	13	,	,	PUNCT
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eurjchem-2196	366	15	,	,	PUNCT
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eurjchem-2196	366	17	;	;	PUNCT
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eurjchem-2196	366	20	.	.	PUNCT
eurjchem-2196	367	1	[	[	X
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eurjchem-2196	367	3	]	]	PUNCT
eurjchem-2196	367	4	.	.	PUNCT
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eurjchem-2196	368	2	,	,	PUNCT
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eurjchem-2196	368	5	;	;	PUNCT
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eurjchem-2196	368	7	,	,	PUNCT
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eurjchem-2196	368	9	;	;	PUNCT
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eurjchem-2196	368	18	;	;	PUNCT
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eurjchem-2196	368	21	,	,	PUNCT
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eurjchem-2196	368	23	;	;	PUNCT
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eurjchem-2196	368	25	,	,	PUNCT
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eurjchem-2196	368	29	.	.	PUNCT
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eurjchem-2196	369	2	.	.	PUNCT
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eurjchem-2196	370	8	,	,	PUNCT
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eurjchem-2196	370	10	–	–	PUNCT
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eurjchem-2196	372	4	;	;	PUNCT
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eurjchem-2196	372	8	;	;	PUNCT
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eurjchem-2196	372	13	.	.	PUNCT
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eurjchem-2196	375	7	,	,	PUNCT
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eurjchem-2196	376	4	.	.	PUNCT
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eurjchem-2196	377	2	,	,	PUNCT
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eurjchem-2196	377	4	;	;	PUNCT
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eurjchem-2196	377	6	,	,	PUNCT
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eurjchem-2196	377	8	;	;	PUNCT
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eurjchem-2196	377	17	.	.	PUNCT
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eurjchem-2196	378	4	,	,	PUNCT
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eurjchem-2196	378	8	–	–	SYM
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eurjchem-2196	379	4	.	.	PUNCT
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eurjchem-2196	383	40	–	–	PUNCT
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eurjchem-2196	383	45	–	–	PUNCT
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eurjchem-2196	383	49	–	–	PUNCT
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eurjchem-2196	383	55	-	-	PUNCT
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eurjchem-2196	385	4	;	;	PUNCT
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eurjchem-2196	385	8	;	;	PUNCT
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eurjchem-2196	387	4	.	.	PUNCT
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eurjchem-2196	388	4	;	;	PUNCT
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eurjchem-2196	388	8	;	;	PUNCT
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eurjchem-2196	388	12	;	;	PUNCT
eurjchem-2196	388	13	tong	tong	PROPN
eurjchem-2196	388	14	,	,	PUNCT
eurjchem-2196	388	15	y.	y.	PROPN
eurjchem-2196	388	16	;	;	PUNCT
eurjchem-2196	388	17	liu	liu	PROPN
eurjchem-2196	388	18	,	,	PUNCT
eurjchem-2196	388	19	y.	y.	PROPN
eurjchem-2196	388	20	;	;	PUNCT
eurjchem-2196	388	21	gu	gu	PROPN
eurjchem-2196	388	22	,	,	PUNCT
eurjchem-2196	388	23	l.	l.	PROPN
eurjchem-2196	388	24	;	;	PUNCT
eurjchem-2196	388	25	liu	liu	PROPN
eurjchem-2196	388	26	,	,	PUNCT
eurjchem-2196	388	27	q.	q.	PROPN
eurjchem-2196	388	28	;	;	PUNCT
eurjchem-2196	388	29	huang	huang	PROPN
eurjchem-2196	388	30	,	,	PUNCT
eurjchem-2196	388	31	y.	y.	PROPN
eurjchem-2196	388	32	polyhedron	polyhedron	PROPN
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eurjchem-2196	388	34	,	,	PUNCT
eurjchem-2196	388	35	18	18	NUM
eurjchem-2196	388	36	(	(	PUNCT
eurjchem-2196	388	37	1–2	1–2	NUM
eurjchem-2196	388	38	)	)	PUNCT
eurjchem-2196	388	39	,	,	PUNCT
eurjchem-2196	388	40	33–37	33–37	NUM
eurjchem-2196	388	41	.	.	PUNCT
eurjchem-2196	389	1	[	[	X
eurjchem-2196	389	2	57	57	NUM
eurjchem-2196	389	3	]	]	PUNCT
eurjchem-2196	389	4	.	.	PUNCT
eurjchem-2196	390	1	yamin	yamin	PROPN
eurjchem-2196	390	2	,	,	PUNCT
eurjchem-2196	390	3	b.	b.	PROPN
eurjchem-2196	390	4	m.	m.	PROPN
eurjchem-2196	390	5	;	;	PUNCT
eurjchem-2196	390	6	yusof	yusof	NOUN
eurjchem-2196	390	7	,	,	PUNCT
eurjchem-2196	390	8	m.	m.	NOUN
eurjchem-2196	390	9	s.	s.	PROPN
eurjchem-2196	390	10	m.	m.	PROPN
eurjchem-2196	390	11	acta	acta	PROPN
eurjchem-2196	390	12	crystallogr	crystallogr	PROPN
eurjchem-2196	390	13	.	.	PUNCT
eurjchem-2196	391	1	sect	sect	NOUN
eurjchem-2196	391	2	.	.	PUNCT
eurjchem-2196	392	1	e	e	NOUN
eurjchem-2196	392	2	struct	struct	NOUN
eurjchem-2196	392	3	.	.	PUNCT
eurjchem-2196	393	1	rep	rep	PROPN
eurjchem-2196	393	2	.	.	PROPN
eurjchem-2196	393	3	online	online	PROPN
eurjchem-2196	393	4	2003	2003	NUM
eurjchem-2196	393	5	,	,	PUNCT
eurjchem-2196	393	6	59	59	NUM
eurjchem-2196	393	7	(	(	PUNCT
eurjchem-2196	393	8	2	2	NUM
eurjchem-2196	393	9	)	)	PUNCT
eurjchem-2196	393	10	,	,	PUNCT
eurjchem-2196	393	11	o151	o151	PROPN
eurjchem-2196	393	12	–	–	PUNCT
eurjchem-2196	393	13	o152	o152	PROPN
eurjchem-2196	393	14	.	.	PUNCT
eurjchem-2196	394	1	[	[	X
eurjchem-2196	394	2	58	58	NUM
eurjchem-2196	394	3	]	]	PUNCT
eurjchem-2196	394	4	.	.	PUNCT
eurjchem-2196	394	5	yusof	yusof	PROPN
eurjchem-2196	394	6	,	,	PUNCT
eurjchem-2196	394	7	m.	m.	NOUN
eurjchem-2196	394	8	s.	s.	PROPN
eurjchem-2196	394	9	m.	m.	PROPN
eurjchem-2196	394	10	;	;	PUNCT
eurjchem-2196	394	11	asroh	asroh	PROPN
eurjchem-2196	394	12	,	,	PUNCT
eurjchem-2196	394	13	f.	f.	PROPN
eurjchem-2196	394	14	s.	s.	PROPN
eurjchem-2196	394	15	m.	m.	PROPN
eurjchem-2196	394	16	;	;	PUNCT
eurjchem-2196	394	17	kadir	kadir	PROPN
eurjchem-2196	394	18	,	,	PUNCT
eurjchem-2196	394	19	m.	m.	NOUN
eurjchem-2196	394	20	a.	a.	PROPN
eurjchem-2196	394	21	;	;	PUNCT
eurjchem-2196	394	22	yamin	yamin	PROPN
eurjchem-2196	394	23	,	,	PUNCT
eurjchem-2196	394	24	b.	b.	PROPN
eurjchem-2196	394	25	m.	m.	PROPN
eurjchem-2196	394	26	acta	acta	PROPN
eurjchem-2196	394	27	crystallogr	crystallogr	PROPN
eurjchem-2196	394	28	.	.	PUNCT
eurjchem-2196	395	1	sect	sect	NOUN
eurjchem-2196	395	2	.	.	PUNCT
eurjchem-2196	396	1	e	e	NOUN
eurjchem-2196	396	2	struct	struct	NOUN
eurjchem-2196	396	3	.	.	PUNCT
eurjchem-2196	397	1	rep	rep	PROPN
eurjchem-2196	397	2	.	.	PROPN
eurjchem-2196	397	3	online	online	ADJ
eurjchem-2196	397	4	2007	2007	NUM
eurjchem-2196	397	5	,	,	PUNCT
eurjchem-2196	397	6	63	63	NUM
eurjchem-2196	397	7	(	(	PUNCT
eurjchem-2196	397	8	3	3	NUM
eurjchem-2196	397	9	)	)	PUNCT
eurjchem-2196	397	10	,	,	PUNCT
eurjchem-2196	397	11	o1190	o1190	PROPN
eurjchem-2196	397	12	–	–	PUNCT
eurjchem-2196	397	13	o1191	o1191	PROPN
eurjchem-2196	397	14	.	.	PUNCT
eurjchem-2196	398	1	[	[	X
eurjchem-2196	398	2	59	59	NUM
eurjchem-2196	398	3	]	]	PUNCT
eurjchem-2196	398	4	.	.	PUNCT
eurjchem-2196	399	1	cremer	cremer	PROPN
eurjchem-2196	399	2	,	,	PUNCT
eurjchem-2196	399	3	d.	d.	PROPN
eurjchem-2196	399	4	;	;	PUNCT
eurjchem-2196	399	5	pople	pople	PROPN
eurjchem-2196	399	6	,	,	PUNCT
eurjchem-2196	399	7	j.	j.	PROPN
eurjchem-2196	399	8	a.	a.	PROPN
eurjchem-2196	399	9	j.	j.	PROPN
eurjchem-2196	399	10	am	am	PROPN
eurjchem-2196	399	11	.	.	PUNCT
eurjchem-2196	400	1	chem	chem	NOUN
eurjchem-2196	400	2	.	.	PUNCT
eurjchem-2196	401	1	soc	soc	PROPN
eurjchem-2196	401	2	.	.	PUNCT
eurjchem-2196	402	1	1975	1975	NUM
eurjchem-2196	402	2	,	,	PUNCT
eurjchem-2196	402	3	97	97	NUM
eurjchem-2196	402	4	(	(	PUNCT
eurjchem-2196	402	5	6	6	NUM
eurjchem-2196	402	6	)	)	PUNCT
eurjchem-2196	402	7	,	,	PUNCT
eurjchem-2196	402	8	1354–1358	1354–1358	NUM
eurjchem-2196	402	9	.	.	PUNCT
eurjchem-2196	403	1	[	[	X
eurjchem-2196	403	2	60	60	NUM
eurjchem-2196	403	3	]	]	PUNCT
eurjchem-2196	403	4	.	.	PUNCT
eurjchem-2196	404	1	evans	evans	PROPN
eurjchem-2196	404	2	,	,	PUNCT
eurjchem-2196	404	3	d.	d.	PROPN
eurjchem-2196	404	4	g.	g.	PROPN
eurjchem-2196	404	5	;	;	PUNCT
eurjchem-2196	404	6	boeyens	boeyens	PROPN
eurjchem-2196	404	7	,	,	PUNCT
eurjchem-2196	404	8	j.	j.	PROPN
eurjchem-2196	404	9	c.	c.	PROPN
eurjchem-2196	404	10	a.	a.	PROPN
eurjchem-2196	404	11	acta	acta	PROPN
eurjchem-2196	404	12	crystallogr	crystallogr	PROPN
eurjchem-2196	404	13	.	.	PUNCT
eurjchem-2196	405	1	b	b	NOUN
eurjchem-2196	405	2	1989	1989	NUM
eurjchem-2196	405	3	,	,	PUNCT
eurjchem-2196	405	4	45	45	NUM
eurjchem-2196	405	5	(	(	PUNCT
eurjchem-2196	405	6	6	6	NUM
eurjchem-2196	405	7	)	)	PUNCT
eurjchem-2196	405	8	,	,	PUNCT
eurjchem-2196	405	9	581–590	581–590	NUM
eurjchem-2196	405	10	.	.	PUNCT
eurjchem-2196	406	1	[	[	X
eurjchem-2196	406	2	61	61	NUM
eurjchem-2196	406	3	]	]	SYM
eurjchem-2196	406	4	.	.	PUNCT
eurjchem-2196	406	5	chermette	chermette	PROPN
eurjchem-2196	406	6	,	,	PUNCT
eurjchem-2196	406	7	h.	h.	PROPN
eurjchem-2196	406	8	j.	j.	PROPN
eurjchem-2196	406	9	comput	comput	PROPN
eurjchem-2196	406	10	.	.	PUNCT
eurjchem-2196	407	1	chem	chem	PROPN
eurjchem-2196	407	2	.	.	PUNCT
eurjchem-2196	408	1	1999	1999	NUM
eurjchem-2196	408	2	,	,	PUNCT
eurjchem-2196	408	3	20	20	NUM
eurjchem-2196	408	4	(	(	PUNCT
eurjchem-2196	408	5	1	1	NUM
eurjchem-2196	408	6	)	)	PUNCT
eurjchem-2196	408	7	,	,	PUNCT
eurjchem-2196	408	8	129–154	129–154	NUM
eurjchem-2196	408	9	.	.	PUNCT
eurjchem-2196	409	1	[	[	X
eurjchem-2196	409	2	62	62	NUM
eurjchem-2196	409	3	]	]	PUNCT
eurjchem-2196	409	4	.	.	PUNCT
eurjchem-2196	409	5	baumgärtner	baumgärtner	NOUN
eurjchem-2196	409	6	,	,	PUNCT
eurjchem-2196	409	7	a.	a.	PROPN
eurjchem-2196	409	8	j.	j.	PROPN
eurjchem-2196	409	9	chem	chem	PROPN
eurjchem-2196	409	10	.	.	PUNCT
eurjchem-2196	410	1	phys	phy	NOUN
eurjchem-2196	410	2	.	.	PUNCT
eurjchem-2196	411	1	1993	1993	NUM
eurjchem-2196	411	2	,	,	PUNCT
eurjchem-2196	411	3	98	98	NUM
eurjchem-2196	411	4	(	(	PUNCT
eurjchem-2196	411	5	9	9	NUM
eurjchem-2196	411	6	)	)	PUNCT
eurjchem-2196	411	7	,	,	PUNCT
eurjchem-2196	411	8	7496–7501	7496–7501	NUM
eurjchem-2196	411	9	.	.	PUNCT
eurjchem-2196	412	1	[	[	X
eurjchem-2196	412	2	63	63	NUM
eurjchem-2196	412	3	]	]	PUNCT
eurjchem-2196	412	4	.	.	PUNCT
eurjchem-2196	413	1	bogolubov	bogolubov	PROPN
eurjchem-2196	413	2	,	,	PUNCT
eurjchem-2196	413	3	n.	n.	PROPN
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eurjchem-2196	413	5	jr	jr	PROPN
eurjchem-2196	413	6	;	;	PUNCT
eurjchem-2196	413	7	kien	kien	PROPN
eurjchem-2196	413	8	,	,	PUNCT
eurjchem-2196	413	9	f.	f.	PROPN
eurjchem-2196	413	10	l.	l.	PROPN
eurjchem-2196	413	11	;	;	PUNCT
eurjchem-2196	413	12	shumovsky	shumovsky	NOUN
eurjchem-2196	413	13	,	,	PUNCT
eurjchem-2196	413	14	a.	a.	PROPN
eurjchem-2196	413	15	s.	s.	PROPN
eurjchem-2196	413	16	j.	j.	PROPN
eurjchem-2196	413	17	phys	phys	PROPN
eurjchem-2196	413	18	.	.	PUNCT
eurjchem-2196	414	1	a	a	DET
eurjchem-2196	414	2	math	math	NOUN
eurjchem-2196	414	3	.	.	PUNCT
eurjchem-2196	415	1	gen	gen	PROPN
eurjchem-2196	415	2	.	.	PROPN
eurjchem-2196	415	3	1986	1986	NUM
eurjchem-2196	415	4	,	,	PUNCT
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eurjchem-2196	415	6	(	(	PUNCT
eurjchem-2196	415	7	2	2	NUM
eurjchem-2196	415	8	)	)	PUNCT
eurjchem-2196	415	9	,	,	PUNCT
eurjchem-2196	415	10	191–203	191–203	NUM
eurjchem-2196	415	11	.	.	PUNCT
eurjchem-2196	416	1	[	[	X
eurjchem-2196	416	2	64	64	NUM
eurjchem-2196	416	3	]	]	PUNCT
eurjchem-2196	416	4	.	.	PUNCT
eurjchem-2196	417	1	meyer	meyer	PROPN
eurjchem-2196	417	2	,	,	PUNCT
eurjchem-2196	417	3	a.	a.	PROPN
eurjchem-2196	417	4	y.	y.	PROPN
eurjchem-2196	417	5	chem	chem	PROPN
eurjchem-2196	417	6	.	.	PUNCT
eurjchem-2196	418	1	soc	soc	PROPN
eurjchem-2196	418	2	.	.	PUNCT
eurjchem-2196	419	1	rev	rev	PROPN
eurjchem-2196	419	2	.	.	PROPN
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eurjchem-2196	419	4	,	,	PUNCT
eurjchem-2196	419	5	15	15	NUM
eurjchem-2196	419	6	(	(	PUNCT
eurjchem-2196	419	7	4	4	NUM
eurjchem-2196	419	8	)	)	PUNCT
eurjchem-2196	419	9	,	,	PUNCT
eurjchem-2196	419	10	449	449	NUM
eurjchem-2196	419	11	-	-	SYM
eurjchem-2196	419	12	474	474	NUM
eurjchem-2196	419	13	.	.	PUNCT
eurjchem-2196	420	1	[	[	X
eurjchem-2196	420	2	65	65	NUM
eurjchem-2196	420	3	]	]	PUNCT
eurjchem-2196	420	4	.	.	PUNCT
eurjchem-2196	421	1	mackenzie	mackenzie	PROPN
eurjchem-2196	421	2	,	,	PUNCT
eurjchem-2196	421	3	c.	c.	PROPN
eurjchem-2196	421	4	f.	f.	PROPN
eurjchem-2196	421	5	;	;	PUNCT
eurjchem-2196	421	6	spackman	spackman	NOUN
eurjchem-2196	421	7	,	,	PUNCT
eurjchem-2196	421	8	p.	p.	PROPN
eurjchem-2196	421	9	r.	r.	PROPN
eurjchem-2196	421	10	;	;	PUNCT
eurjchem-2196	421	11	jayatilaka	jayatilaka	PROPN
eurjchem-2196	421	12	,	,	PUNCT
eurjchem-2196	421	13	d.	d.	PROPN
eurjchem-2196	421	14	;	;	PUNCT
eurjchem-2196	421	15	spackman	spackman	NOUN
eurjchem-2196	421	16	,	,	PUNCT
eurjchem-2196	421	17	m.	m.	NOUN
eurjchem-2196	421	18	a.	a.	NOUN
eurjchem-2196	421	19	iucrj	iucrj	PROPN
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eurjchem-2196	421	21	,	,	PUNCT
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eurjchem-2196	421	23	(	(	PUNCT
eurjchem-2196	421	24	pt	pt	NOUN
eurjchem-2196	421	25	5	5	NUM
eurjchem-2196	421	26	)	)	PUNCT
eurjchem-2196	421	27	,	,	PUNCT
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eurjchem-2196	421	29	.	.	PUNCT
eurjchem-2196	422	1	[	[	X
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eurjchem-2196	422	3	]	]	PUNCT
eurjchem-2196	422	4	.	.	PUNCT
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eurjchem-2196	423	5	;	;	PUNCT
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eurjchem-2196	423	7	,	,	PUNCT
eurjchem-2196	423	8	c.	c.	PROPN
eurjchem-2196	423	9	f.	f.	PROPN
eurjchem-2196	423	10	;	;	PUNCT
eurjchem-2196	423	11	spackman	spackman	NOUN
eurjchem-2196	423	12	,	,	PUNCT
eurjchem-2196	423	13	p.	p.	PROPN
eurjchem-2196	423	14	r.	r.	PROPN
eurjchem-2196	423	15	;	;	PUNCT
eurjchem-2196	423	16	jayatilaka	jayatilaka	PROPN
eurjchem-2196	423	17	,	,	PUNCT
eurjchem-2196	423	18	d.	d.	PROPN
eurjchem-2196	423	19	;	;	PUNCT
eurjchem-2196	423	20	spackman	spackman	NOUN
eurjchem-2196	423	21	,	,	PUNCT
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eurjchem-2196	423	23	a.	a.	PROPN
eurjchem-2196	423	24	faraday	faraday	PROPN
eurjchem-2196	423	25	discuss	discuss	PROPN
eurjchem-2196	423	26	.	.	PROPN
eurjchem-2196	424	1	2017	2017	NUM
eurjchem-2196	424	2	,	,	PUNCT
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eurjchem-2196	424	4	,	,	PUNCT
eurjchem-2196	424	5	93–112	93–112	PROPN
eurjchem-2196	424	6	.	.	PUNCT
eurjchem-2196	425	1	[	[	X
eurjchem-2196	425	2	67	67	NUM
eurjchem-2196	425	3	]	]	PUNCT
eurjchem-2196	425	4	.	.	PUNCT
eurjchem-2196	426	1	scrocco	scrocco	PROPN
eurjchem-2196	426	2	,	,	PUNCT
eurjchem-2196	426	3	e.	e.	PROPN
eurjchem-2196	426	4	;	;	PUNCT
eurjchem-2196	426	5	tomasi	tomasi	PROPN
eurjchem-2196	426	6	,	,	PUNCT
eurjchem-2196	426	7	j.	j.	PROPN
eurjchem-2196	426	8	the	the	DET
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eurjchem-2196	426	12	as	as	ADP
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eurjchem-2196	426	14	tool	tool	NOUN
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eurjchem-2196	426	20	properties	property	NOUN
eurjchem-2196	426	21	.	.	PUNCT
eurjchem-2196	427	1	in	in	ADP
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eurjchem-2196	427	7	der	der	PROPN
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eurjchem-2196	427	9	forschung	forschung	PROPN
eurjchem-2196	427	10	;	;	PUNCT
eurjchem-2196	427	11	springer	springer	PROPN
eurjchem-2196	427	12	berlin	berlin	PROPN
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eurjchem-2196	427	14	:	:	PUNCT
eurjchem-2196	427	15	berlin	berlin	PROPN
eurjchem-2196	427	16	,	,	PUNCT
eurjchem-2196	427	17	heidelberg	heidelberg	PROPN
eurjchem-2196	427	18	,	,	PUNCT
eurjchem-2196	427	19	2007	2007	NUM
eurjchem-2196	427	20	;	;	PUNCT
eurjchem-2196	427	21	pp	pp	PROPN
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eurjchem-2196	427	23	.	.	PUNCT
eurjchem-2196	428	1	[	[	X
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eurjchem-2196	428	3	]	]	PUNCT
eurjchem-2196	428	4	.	.	PUNCT
eurjchem-2196	429	1	mulliken	mulliken	PROPN
eurjchem-2196	429	2	,	,	PUNCT
eurjchem-2196	429	3	r.	r.	PROPN
eurjchem-2196	429	4	s.	s.	PROPN
eurjchem-2196	429	5	j.	j.	PROPN
eurjchem-2196	429	6	chem	chem	PROPN
eurjchem-2196	429	7	.	.	PUNCT
eurjchem-2196	430	1	phys	phy	NOUN
eurjchem-2196	430	2	.	.	PUNCT
eurjchem-2196	431	1	1955	1955	NUM
eurjchem-2196	431	2	,	,	PUNCT
eurjchem-2196	431	3	23	23	NUM
eurjchem-2196	431	4	(	(	PUNCT
eurjchem-2196	431	5	10	10	NUM
eurjchem-2196	431	6	)	)	PUNCT
eurjchem-2196	431	7	,	,	PUNCT
eurjchem-2196	431	8	1833–1840	1833–1840	NUM
eurjchem-2196	431	9	.	.	PUNCT
eurjchem-2196	432	1	copyright	copyright	NOUN
eurjchem-2196	432	2	©	©	PROPN
eurjchem-2196	432	3	2021	2021	NUM
eurjchem-2196	432	4	by	by	ADP
eurjchem-2196	432	5	authors	author	NOUN
eurjchem-2196	432	6	.	.	PUNCT
eurjchem-2196	433	1	this	this	DET
eurjchem-2196	433	2	work	work	NOUN
eurjchem-2196	433	3	is	be	AUX
eurjchem-2196	433	4	published	publish	VERB
eurjchem-2196	433	5	and	and	CCONJ
eurjchem-2196	433	6	licensed	license	VERB
eurjchem-2196	433	7	by	by	ADP
eurjchem-2196	433	8	atlanta	atlanta	PROPN
eurjchem-2196	433	9	publishing	publishing	PROPN
eurjchem-2196	433	10	house	house	PROPN
eurjchem-2196	433	11	llc	llc	PROPN
eurjchem-2196	433	12	,	,	PUNCT
eurjchem-2196	433	13	atlanta	atlanta	PROPN
eurjchem-2196	433	14	,	,	PUNCT
eurjchem-2196	433	15	ga	ga	PROPN
eurjchem-2196	433	16	,	,	PUNCT
eurjchem-2196	433	17	usa	usa	PROPN
eurjchem-2196	433	18	.	.	PUNCT
eurjchem-2196	434	1	the	the	DET
eurjchem-2196	434	2	full	full	ADJ
eurjchem-2196	434	3	terms	term	NOUN
eurjchem-2196	434	4	of	of	ADP
eurjchem-2196	434	5	this	this	DET
eurjchem-2196	434	6	license	license	NOUN
eurjchem-2196	434	7	are	be	AUX
eurjchem-2196	434	8	available	available	ADJ
eurjchem-2196	434	9	at	at	ADP
eurjchem-2196	434	10	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2196	434	11	and	and	CCONJ
eurjchem-2196	434	12	incorporate	incorporate	VERB
eurjchem-2196	434	13	the	the	DET
eurjchem-2196	434	14	creative	creative	ADJ
eurjchem-2196	434	15	commons	common	NOUN
eurjchem-2196	434	16	attribution	attribution	NOUN
eurjchem-2196	434	17	-	-	PUNCT
eurjchem-2196	434	18	non	non	ADJ
eurjchem-2196	434	19	commercial	commercial	NOUN
eurjchem-2196	434	20	(	(	PUNCT
eurjchem-2196	434	21	cc	cc	NOUN
eurjchem-2196	434	22	by	by	ADP
eurjchem-2196	434	23	nc	nc	PROPN
eurjchem-2196	434	24	)	)	PUNCT
eurjchem-2196	434	25	(	(	PUNCT
eurjchem-2196	434	26	international	international	ADJ
eurjchem-2196	434	27	,	,	PUNCT
eurjchem-2196	434	28	v4.0	v4.0	NOUN
eurjchem-2196	434	29	)	)	PUNCT
eurjchem-2196	434	30	license	license	NOUN
eurjchem-2196	434	31	(	(	PUNCT
eurjchem-2196	434	32	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	NOUN
eurjchem-2196	434	33	)	)	PUNCT
eurjchem-2196	434	34	.	.	PUNCT
eurjchem-2196	435	1	by	by	ADP
eurjchem-2196	435	2	accessing	access	VERB
eurjchem-2196	435	3	the	the	DET
eurjchem-2196	435	4	work	work	NOUN
eurjchem-2196	435	5	,	,	PUNCT
eurjchem-2196	435	6	you	you	PRON
eurjchem-2196	435	7	hereby	hereby	ADV
eurjchem-2196	435	8	accept	accept	VERB
eurjchem-2196	435	9	the	the	DET
eurjchem-2196	435	10	terms	term	NOUN
eurjchem-2196	435	11	.	.	PUNCT
eurjchem-2196	436	1	this	this	PRON
eurjchem-2196	436	2	is	be	AUX
eurjchem-2196	436	3	an	an	DET
eurjchem-2196	436	4	open	open	ADJ
eurjchem-2196	436	5	access	access	NOUN
eurjchem-2196	436	6	article	article	NOUN
eurjchem-2196	436	7	distributed	distribute	VERB
eurjchem-2196	436	8	under	under	ADP
eurjchem-2196	436	9	the	the	DET
eurjchem-2196	436	10	terms	term	NOUN
eurjchem-2196	436	11	and	and	CCONJ
eurjchem-2196	436	12	conditions	condition	NOUN
eurjchem-2196	436	13	of	of	ADP
eurjchem-2196	436	14	the	the	DET
eurjchem-2196	436	15	cc	cc	PROPN
eurjchem-2196	436	16	by	by	ADP
eurjchem-2196	436	17	nc	nc	PROPN
eurjchem-2196	436	18	license	license	PROPN
eurjchem-2196	436	19	,	,	PUNCT
eurjchem-2196	436	20	which	which	PRON
eurjchem-2196	436	21	permits	permit	VERB
eurjchem-2196	436	22	unrestricted	unrestricted	ADJ
eurjchem-2196	436	23	non	non	ADJ
eurjchem-2196	436	24	-	-	ADJ
eurjchem-2196	436	25	commercial	commercial	ADJ
eurjchem-2196	436	26	use	use	NOUN
eurjchem-2196	436	27	,	,	PUNCT
eurjchem-2196	436	28	distribution	distribution	NOUN
eurjchem-2196	436	29	,	,	PUNCT
eurjchem-2196	436	30	and	and	CCONJ
eurjchem-2196	436	31	reproduction	reproduction	NOUN
eurjchem-2196	436	32	in	in	ADP
eurjchem-2196	436	33	any	any	DET
eurjchem-2196	436	34	medium	medium	NOUN
eurjchem-2196	436	35	,	,	PUNCT
eurjchem-2196	436	36	provided	provide	VERB
eurjchem-2196	436	37	the	the	DET
eurjchem-2196	436	38	original	original	ADJ
eurjchem-2196	436	39	work	work	NOUN
eurjchem-2196	436	40	is	be	AUX
eurjchem-2196	436	41	properly	properly	ADV
eurjchem-2196	436	42	cited	cite	VERB
eurjchem-2196	436	43	without	without	ADP
eurjchem-2196	436	44	any	any	DET
eurjchem-2196	436	45	further	further	ADJ
eurjchem-2196	436	46	permission	permission	NOUN
eurjchem-2196	436	47	from	from	ADP
eurjchem-2196	436	48	atlanta	atlanta	PROPN
eurjchem-2196	436	49	publishing	publishing	PROPN
eurjchem-2196	436	50	house	house	PROPN
eurjchem-2196	436	51	llc	llc	PROPN
eurjchem-2196	436	52	(	(	PUNCT
eurjchem-2196	436	53	european	european	PROPN
eurjchem-2196	436	54	journal	journal	PROPN
eurjchem-2196	436	55	of	of	ADP
eurjchem-2196	436	56	chemistry	chemistry	NOUN
eurjchem-2196	436	57	)	)	PUNCT
eurjchem-2196	436	58	.	.	PUNCT
eurjchem-2196	437	1	no	no	DET
eurjchem-2196	437	2	use	use	NOUN
eurjchem-2196	437	3	,	,	PUNCT
eurjchem-2196	437	4	distribution	distribution	NOUN
eurjchem-2196	437	5	or	or	CCONJ
eurjchem-2196	437	6	reproduction	reproduction	NOUN
eurjchem-2196	437	7	is	be	AUX
eurjchem-2196	437	8	permitted	permit	VERB
eurjchem-2196	437	9	which	which	PRON
eurjchem-2196	437	10	does	do	AUX
eurjchem-2196	437	11	not	not	PART
eurjchem-2196	437	12	comply	comply	VERB
eurjchem-2196	437	13	with	with	ADP
eurjchem-2196	437	14	these	these	DET
eurjchem-2196	437	15	terms	term	NOUN
eurjchem-2196	437	16	.	.	PUNCT
eurjchem-2196	438	1	permissions	permission	NOUN
eurjchem-2196	438	2	for	for	ADP
eurjchem-2196	438	3	commercial	commercial	ADJ
eurjchem-2196	438	4	use	use	NOUN
eurjchem-2196	438	5	of	of	ADP
eurjchem-2196	438	6	this	this	DET
eurjchem-2196	438	7	work	work	NOUN
eurjchem-2196	438	8	beyond	beyond	ADP
eurjchem-2196	438	9	the	the	DET
eurjchem-2196	438	10	scope	scope	NOUN
eurjchem-2196	438	11	of	of	ADP
eurjchem-2196	438	12	the	the	DET
eurjchem-2196	438	13	license	license	NOUN
eurjchem-2196	438	14	(	(	PUNCT
eurjchem-2196	438	15	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2196	438	16	)	)	PUNCT
eurjchem-2196	438	17	are	be	AUX
eurjchem-2196	438	18	administered	administer	VERB
eurjchem-2196	438	19	by	by	ADP
eurjchem-2196	438	20	atlanta	atlanta	PROPN
eurjchem-2196	438	21	publishing	publishing	PROPN
eurjchem-2196	438	22	house	house	PROPN
eurjchem-2196	438	23	llc	llc	PROPN
eurjchem-2196	438	24	(	(	PUNCT
eurjchem-2196	438	25	european	european	PROPN
eurjchem-2196	438	26	journal	journal	PROPN
eurjchem-2196	438	27	of	of	ADP
eurjchem-2196	438	28	chemistry	chemistry	NOUN
eurjchem-2196	438	29	)	)	PUNCT
eurjchem-2196	438	30	.	.	PUNCT
eurjchem-2196	439	1	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2196	439	2	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-2196	439	3	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2196	439	4	1	1	NUM
eurjchem-2196	439	5	.	.	PUNCT
eurjchem-2196	439	6	introduction	introduction	NOUN
eurjchem-2196	439	7	2	2	NUM
eurjchem-2196	439	8	.	.	PUNCT
eurjchem-2196	439	9	experimental	experimental	ADJ
eurjchem-2196	439	10	2.1	2.1	NUM
eurjchem-2196	439	11	.	.	PUNCT
eurjchem-2196	440	1	instrumentation	instrumentation	NOUN
eurjchem-2196	440	2	2.2	2.2	NUM
eurjchem-2196	440	3	.	.	PUNCT
eurjchem-2196	441	1	synthesis	synthesis	VERB
eurjchem-2196	441	2	2.3	2.3	NUM
eurjchem-2196	441	3	.	.	PUNCT
eurjchem-2196	442	1	computational	computational	ADJ
eurjchem-2196	442	2	studies	study	NOUN
eurjchem-2196	442	3	3	3	NUM
eurjchem-2196	442	4	.	.	NOUN
eurjchem-2196	442	5	result	result	NOUN
eurjchem-2196	442	6	and	and	CCONJ
eurjchem-2196	442	7	discussion	discussion	NOUN
eurjchem-2196	442	8	3.1	3.1	NUM
eurjchem-2196	442	9	.	.	PUNCT
eurjchem-2196	443	1	crystal	crystal	NOUN
eurjchem-2196	443	2	structure	structure	NOUN
eurjchem-2196	443	3	analysis	analysis	NOUN
eurjchem-2196	443	4	3.2	3.2	NUM
eurjchem-2196	443	5	.	.	PUNCT
eurjchem-2196	444	1	computational	computational	ADJ
eurjchem-2196	444	2	studies	study	NOUN
eurjchem-2196	444	3	5	5	NUM
eurjchem-2196	444	4	.	.	PUNCT
eurjchem-2196	445	1	conclusions	conclusion	NOUN
eurjchem-2196	445	2	supporting	support	VERB
eurjchem-2196	445	3	information	information	NOUN
eurjchem-2196	445	4	disclosure	disclosure	NOUN
eurjchem-2196	445	5	statement	statement	NOUN
eurjchem-2196	445	6	funding	fund	VERB
eurjchem-2196	445	7	orcid	orcid	PROPN
eurjchem-2196	445	8	references	reference	NOUN
eurjchem-2196	445	9	printfield10	printfield10	NOUN
eurjchem-2196	445	10	:	:	PUNCT
eurjchem-2196	445	11	printfield11	printfield11	NOUN
eurjchem-2196	445	12	:	:	PUNCT
eurjchem-2196	445	13	printfield12	printfield12	PROPN
eurjchem-2196	445	14	:	:	PUNCT
eurjchem-2196	445	15	printfield13	printfield13	VERB
eurjchem-2196	445	16	:	:	PUNCT
eurjchem-2196	445	17	printfield14	printfield14	NOUN
eurjchem-2196	445	18	:	:	PUNCT
eurjchem-2196	445	19	printfield15	printfield15	NOUN
eurjchem-2196	445	20	:	:	PUNCT
eurjchem-2196	445	21	printfield16	printfield16	ADJ
eurjchem-2196	445	22	:	:	PUNCT
eurjchem-2196	445	23	printfield17	printfield17	NOUN
eurjchem-2196	445	24	:	:	PUNCT
eurjchem-2196	445	25	printfield18	printfield18	NOUN
eurjchem-2196	445	26	:	:	PUNCT
eurjchem-2196	445	27	printfield19	printfield19	NOUN
eurjchem-2196	445	28	:	:	PUNCT
eurjchem-2196	445	29	printfield110	printfield110	PROPN
eurjchem-2196	445	30	:	:	PUNCT
eurjchem-2196	445	31	printfield20	printfield20	PROPN
eurjchem-2196	445	32	:	:	PUNCT
eurjchem-2196	445	33	printfield21	printfield21	ADJ
eurjchem-2196	445	34	:	:	PUNCT
eurjchem-2196	445	35	printfield22	printfield22	NOUN
eurjchem-2196	445	36	:	:	PUNCT
eurjchem-2196	445	37	printfield23	printfield23	NOUN
eurjchem-2196	445	38	:	:	PUNCT
eurjchem-2196	445	39	printfield24	printfield24	NOUN
eurjchem-2196	445	40	:	:	PUNCT
eurjchem-2196	445	41	printfield25	printfield25	NOUN
eurjchem-2196	445	42	:	:	PUNCT
eurjchem-2196	445	43	printfield26	printfield26	ADJ
eurjchem-2196	445	44	:	:	PUNCT
eurjchem-2196	445	45	printfield27	printfield27	NOUN
eurjchem-2196	445	46	:	:	PUNCT
eurjchem-2196	445	47	printfield28	printfield28	NOUN
eurjchem-2196	445	48	:	:	PUNCT
eurjchem-2196	445	49	printfield29	printfield29	ADV
eurjchem-2196	445	50	:	:	PUNCT
eurjchem-2196	445	51	printfield210	printfield210	PROPN
eurjchem-2196	445	52	:	:	PUNCT