id	sid	tid	token	lemma	pos
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eurjchem-2099	1	2	,	,	PUNCT
eurjchem-2099	1	3	crystal	crystal	NOUN
eurjchem-2099	1	4	structure	structure	NOUN
eurjchem-2099	1	5	elucidation	elucidation	NOUN
eurjchem-2099	1	6	,	,	PUNCT
eurjchem-2099	1	7	hirshfeld	hirshfeld	PROPN
eurjchem-2099	1	8	surface	surface	NOUN
eurjchem-2099	1	9	analysis	analysis	NOUN
eurjchem-2099	1	10	,	,	PUNCT
eurjchem-2099	1	11	3d	3d	NUM
eurjchem-2099	1	12	energy	energy	NOUN
eurjchem-2099	1	13	frameworks	framework	NOUN
eurjchem-2099	1	14	and	and	CCONJ
eurjchem-2099	1	15	dft	dft	PROPN
eurjchem-2099	1	16	studies	study	NOUN
eurjchem-2099	1	17	of	of	ADP
eurjchem-2099	1	18	2-(4	2-(4	PROPN
eurjchem-2099	1	19	-	-	PUNCT
eurjchem-2099	1	20	fluorophenoxy	fluorophenoxy	ADJ
eurjchem-2099	1	21	)	)	PUNCT
eurjchem-2099	1	22	acetic	acetic	ADJ
eurjchem-2099	1	23	acid	acid	NOUN
eurjchem-2099	1	24	european	european	PROPN
eurjchem-2099	1	25	journal	journal	PROPN
eurjchem-2099	1	26	of	of	ADP
eurjchem-2099	1	27	chemistry	chemistry	NOUN
eurjchem-2099	1	28	12	12	NUM
eurjchem-2099	1	29	(	(	PUNCT
eurjchem-2099	1	30	3	3	NUM
eurjchem-2099	1	31	)	)	PUNCT
eurjchem-2099	1	32	(	(	PUNCT
eurjchem-2099	1	33	2021	2021	NUM
eurjchem-2099	1	34	)	)	PUNCT
eurjchem-2099	1	35	304	304	NUM
eurjchem-2099	1	36	-	-	SYM
eurjchem-2099	1	37	313	313	NUM
eurjchem-2099	1	38	european	european	ADJ
eurjchem-2099	1	39	journal	journal	PROPN
eurjchem-2099	1	40	of	of	ADP
eurjchem-2099	1	41	chemistry	chemistry	NOUN
eurjchem-2099	1	42	issn	issn	VERB
eurjchem-2099	1	43	2153	2153	NUM
eurjchem-2099	1	44	-	-	SYM
eurjchem-2099	1	45	2249	2249	NUM
eurjchem-2099	1	46	(	(	PUNCT
eurjchem-2099	1	47	print	print	NOUN
eurjchem-2099	1	48	)	)	PUNCT
eurjchem-2099	1	49	/	/	PUNCT
eurjchem-2099	1	50	issn	issn	PROPN
eurjchem-2099	1	51	2153	2153	NUM
eurjchem-2099	1	52	-	-	SYM
eurjchem-2099	1	53	2257	2257	NUM
eurjchem-2099	1	54	(	(	PUNCT
eurjchem-2099	1	55	online	online	ADJ
eurjchem-2099	1	56	)	)	PUNCT
eurjchem-2099	1	57	–	–	PUNCT
eurjchem-2099	2	1	copyright	copyright	NOUN
eurjchem-2099	2	2	©	©	PROPN
eurjchem-2099	2	3	2021	2021	NUM
eurjchem-2099	2	4	the	the	DET
eurjchem-2099	2	5	authors	author	NOUN
eurjchem-2099	2	6	–	–	PUNCT
eurjchem-2099	2	7	atlanta	atlanta	PROPN
eurjchem-2099	2	8	publishing	publishing	PROPN
eurjchem-2099	2	9	house	house	PROPN
eurjchem-2099	2	10	llc	llc	PROPN
eurjchem-2099	2	11	–	–	PUNCT
eurjchem-2099	2	12	printed	print	VERB
eurjchem-2099	2	13	in	in	ADP
eurjchem-2099	2	14	the	the	DET
eurjchem-2099	2	15	usa	usa	PROPN
eurjchem-2099	2	16	.	.	PUNCT
eurjchem-2099	3	1	this	this	DET
eurjchem-2099	3	2	work	work	NOUN
eurjchem-2099	3	3	is	be	AUX
eurjchem-2099	3	4	published	publish	VERB
eurjchem-2099	3	5	and	and	CCONJ
eurjchem-2099	3	6	licensed	license	VERB
eurjchem-2099	3	7	by	by	ADP
eurjchem-2099	3	8	atlanta	atlanta	PROPN
eurjchem-2099	3	9	publishing	publishing	PROPN
eurjchem-2099	3	10	house	house	PROPN
eurjchem-2099	3	11	llc	llc	PROPN
eurjchem-2099	3	12	–	–	PUNCT
eurjchem-2099	3	13	cc	cc	PROPN
eurjchem-2099	3	14	by	by	ADP
eurjchem-2099	3	15	nc	nc	PROPN
eurjchem-2099	3	16	–	–	PUNCT
eurjchem-2099	3	17	some	some	DET
eurjchem-2099	3	18	rights	right	NOUN
eurjchem-2099	3	19	reserved	reserve	VERB
eurjchem-2099	3	20	.	.	PUNCT
eurjchem-2099	4	1	https://dx.doi.org/10.5155/eurjchem.12.3.304-313.2099	https://dx.doi.org/10.5155/eurjchem.12.3.304-313.2099	PROPN
eurjchem-2099	4	2	european	european	PROPN
eurjchem-2099	4	3	journal	journal	PROPN
eurjchem-2099	4	4	of	of	ADP
eurjchem-2099	4	5	chemistry	chemistry	NOUN
eurjchem-2099	4	6	view	view	NOUN
eurjchem-2099	4	7	journal	journal	PROPN
eurjchem-2099	4	8	online	online	PROPN
eurjchem-2099	4	9	view	view	NOUN
eurjchem-2099	4	10	article	article	NOUN
eurjchem-2099	4	11	online	online	ADJ
eurjchem-2099	4	12	synthesis	synthesis	NOUN
eurjchem-2099	4	13	,	,	PUNCT
eurjchem-2099	4	14	crystal	crystal	NOUN
eurjchem-2099	4	15	structure	structure	NOUN
eurjchem-2099	4	16	elucidation	elucidation	NOUN
eurjchem-2099	4	17	,	,	PUNCT
eurjchem-2099	4	18	hirshfeld	hirshfeld	PROPN
eurjchem-2099	4	19	surface	surface	NOUN
eurjchem-2099	4	20	analysis	analysis	NOUN
eurjchem-2099	4	21	,	,	PUNCT
eurjchem-2099	4	22	3d	3d	NUM
eurjchem-2099	4	23	energy	energy	NOUN
eurjchem-2099	4	24	frameworks	framework	NOUN
eurjchem-2099	4	25	and	and	CCONJ
eurjchem-2099	4	26	dft	dft	PROPN
eurjchem-2099	4	27	studies	study	NOUN
eurjchem-2099	4	28	of	of	ADP
eurjchem-2099	4	29	2-(4	2-(4	PROPN
eurjchem-2099	4	30	-	-	PUNCT
eurjchem-2099	4	31	fluorophenoxy	fluorophenoxy	ADJ
eurjchem-2099	4	32	)	)	PUNCT
eurjchem-2099	4	33	acetic	acetic	ADJ
eurjchem-2099	4	34	acid	acid	NOUN
eurjchem-2099	4	35	akhileshwari	akhileshwari	NOUN
eurjchem-2099	4	36	prabhuswamy	prabhuswamy	NOUN
eurjchem-2099	4	37	1	1	NUM
eurjchem-2099	4	38	,	,	PUNCT
eurjchem-2099	4	39	yasser	yasser	PROPN
eurjchem-2099	4	40	hussein	hussein	PROPN
eurjchem-2099	5	1	eissa	eissa	PROPN
eurjchem-2099	5	2	mohammed	mohammed	PROPN
eurjchem-2099	5	3	2	2	NUM
eurjchem-2099	5	4	,	,	PUNCT
eurjchem-2099	5	5	fares	fare	NOUN
eurjchem-2099	5	6	hezam	hezam	PROPN
eurjchem-2099	5	7	al	al	PROPN
eurjchem-2099	5	8	-	-	PUNCT
eurjchem-2099	5	9	ostoot	ostoot	PROPN
eurjchem-2099	5	10	2,3	2,3	NUM
eurjchem-2099	5	11	,	,	PUNCT
eurjchem-2099	5	12	geetha	geetha	PROPN
eurjchem-2099	5	13	doddanahalli	doddanahalli	PROPN
eurjchem-2099	5	14	venkatesh	venkatesh	PROPN
eurjchem-2099	5	15	1	1	NUM
eurjchem-2099	5	16	,	,	PUNCT
eurjchem-2099	5	17	sridhar	sridhar	VERB
eurjchem-2099	5	18	mandayam	mandayam	NOUN
eurjchem-2099	5	19	anandalwar	anandalwar	PROPN
eurjchem-2099	5	20	1	1	NUM
eurjchem-2099	5	21	,	,	PUNCT
eurjchem-2099	5	22	*	*	PUNCT
eurjchem-2099	5	23	,	,	PUNCT
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eurjchem-2099	5	25	ara	ara	PROPN
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eurjchem-2099	5	27	2	2	NUM
eurjchem-2099	5	28	and	and	CCONJ
eurjchem-2099	5	29	lokanath	lokanath	NOUN
eurjchem-2099	5	30	neratur	neratur	PROPN
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eurjchem-2099	5	32	1	1	NUM
eurjchem-2099	5	33	1	1	NUM
eurjchem-2099	5	34	department	department	NOUN
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eurjchem-2099	5	36	studies	study	NOUN
eurjchem-2099	5	37	in	in	ADP
eurjchem-2099	5	38	physics	physics	PROPN
eurjchem-2099	5	39	,	,	PUNCT
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eurjchem-2099	5	41	,	,	PUNCT
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eurjchem-2099	5	45	,	,	PUNCT
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eurjchem-2099	5	48	006	006	NUM
eurjchem-2099	5	49	,	,	PUNCT
eurjchem-2099	5	50	india	india	PROPN
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eurjchem-2099	5	53	a.p	a.p	PROPN
eurjchem-2099	5	54	.	.	PROPN
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eurjchem-2099	5	56	,	,	PUNCT
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eurjchem-2099	6	2	(	(	PUNCT
eurjchem-2099	6	3	g.d.v	g.d.v	NOUN
eurjchem-2099	6	4	.	.	PUNCT
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eurjchem-2099	6	6	,	,	PUNCT
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eurjchem-2099	6	8	(	(	PUNCT
eurjchem-2099	6	9	s.m.a	s.m.a	NOUN
eurjchem-2099	6	10	.	.	PUNCT
eurjchem-2099	6	11	)	)	PUNCT
eurjchem-2099	6	12	,	,	PUNCT
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eurjchem-2099	6	14	(	(	PUNCT
eurjchem-2099	6	15	l.n.k	l.n.k	ADJ
eurjchem-2099	6	16	.	.	PUNCT
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eurjchem-2099	7	1	2	2	NUM
eurjchem-2099	7	2	department	department	NOUN
eurjchem-2099	7	3	of	of	ADP
eurjchem-2099	7	4	chemistry	chemistry	NOUN
eurjchem-2099	7	5	,	,	PUNCT
eurjchem-2099	7	6	yuvaraja	yuvaraja	PROPN
eurjchem-2099	7	7	’s	’s	PART
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eurjchem-2099	7	9	,	,	PUNCT
eurjchem-2099	7	10	university	university	NOUN
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eurjchem-2099	7	13	,	,	PUNCT
eurjchem-2099	7	14	mysuru	mysuru	NOUN
eurjchem-2099	7	15	570	570	NUM
eurjchem-2099	7	16	006	006	NUM
eurjchem-2099	7	17	,	,	PUNCT
eurjchem-2099	7	18	india	india	PROPN
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eurjchem-2099	7	20	(	(	PUNCT
eurjchem-2099	7	21	y.h.e.m	y.h.e.m	PROPN
eurjchem-2099	7	22	.	.	PROPN
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eurjchem-2099	7	24	,	,	PUNCT
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eurjchem-2099	7	26	(	(	PUNCT
eurjchem-2099	7	27	f.h.a	f.h.a	PROPN
eurjchem-2099	7	28	.	.	PUNCT
eurjchem-2099	7	29	)	)	PUNCT
eurjchem-2099	7	30	,	,	PUNCT
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eurjchem-2099	7	32	(	(	PUNCT
eurjchem-2099	7	33	s.a.k	s.a.k	ADJ
eurjchem-2099	7	34	.	.	PUNCT
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eurjchem-2099	8	1	3	3	NUM
eurjchem-2099	8	2	department	department	NOUN
eurjchem-2099	8	3	of	of	ADP
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eurjchem-2099	8	5	,	,	PUNCT
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eurjchem-2099	8	11	,	,	PUNCT
eurjchem-2099	8	12	al	al	PROPN
eurjchem-2099	8	13	-	-	PUNCT
eurjchem-2099	8	14	baydha	baydha	PROPN
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eurjchem-2099	8	16	,	,	PUNCT
eurjchem-2099	8	17	yemen	yemen	PROPN
eurjchem-2099	8	18	*	*	PUNCT
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eurjchem-2099	8	20	author	author	NOUN
eurjchem-2099	8	21	at	at	ADP
eurjchem-2099	8	22	:	:	PUNCT
eurjchem-2099	8	23	department	department	NOUN
eurjchem-2099	8	24	of	of	ADP
eurjchem-2099	8	25	studies	study	NOUN
eurjchem-2099	8	26	in	in	ADP
eurjchem-2099	8	27	physics	physics	PROPN
eurjchem-2099	8	28	,	,	PUNCT
eurjchem-2099	8	29	manasagangotri	manasagangotri	NOUN
eurjchem-2099	8	30	,	,	PUNCT
eurjchem-2099	8	31	university	university	NOUN
eurjchem-2099	8	32	of	of	ADP
eurjchem-2099	8	33	mysore	mysore	NOUN
eurjchem-2099	8	34	,	,	PUNCT
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eurjchem-2099	8	36	570	570	NUM
eurjchem-2099	8	37	006	006	NUM
eurjchem-2099	8	38	,	,	PUNCT
eurjchem-2099	8	39	india	india	PROPN
eurjchem-2099	8	40	.	.	PUNCT
eurjchem-2099	9	1	e	e	X
eurjchem-2099	9	2	-	-	NOUN
eurjchem-2099	9	3	mail	mail	NOUN
eurjchem-2099	9	4	:	:	PUNCT
eurjchem-2099	9	5	mas@physics.uni-mysore.ac.in	mas@physics.uni-mysore.ac.in	PROPN
eurjchem-2099	9	6	(	(	PUNCT
eurjchem-2099	9	7	s.m	s.m	PROPN
eurjchem-2099	9	8	.	.	PROPN
eurjchem-2099	9	9	anandalwar	anandalwar	PROPN
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eurjchem-2099	9	11	.	.	PUNCT
eurjchem-2099	10	1	10.5155	10.5155	NUM
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eurjchem-2099	10	4	-	-	SYM
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eurjchem-2099	10	7	:	:	PUNCT
eurjchem-2099	10	8	30	30	NUM
eurjchem-2099	10	9	january	january	NOUN
eurjchem-2099	10	10	2021	2021	NUM
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eurjchem-2099	10	12	in	in	ADP
eurjchem-2099	10	13	revised	revise	VERB
eurjchem-2099	10	14	form	form	NOUN
eurjchem-2099	10	15	:	:	PUNCT
eurjchem-2099	10	16	26	26	NUM
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eurjchem-2099	10	18	2021	2021	NUM
eurjchem-2099	10	19	accepted	accept	VERB
eurjchem-2099	10	20	:	:	PUNCT
eurjchem-2099	10	21	07	07	NUM
eurjchem-2099	10	22	august	august	PROPN
eurjchem-2099	10	23	2021	2021	NUM
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eurjchem-2099	10	25	online	online	ADV
eurjchem-2099	10	26	:	:	PUNCT
eurjchem-2099	10	27	30	30	NUM
eurjchem-2099	10	28	september	september	PROPN
eurjchem-2099	10	29	2021	2021	NUM
eurjchem-2099	10	30	printed	print	VERB
eurjchem-2099	10	31	:	:	PUNCT
eurjchem-2099	10	32	30	30	NUM
eurjchem-2099	10	33	september	september	PROPN
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eurjchem-2099	10	35	the	the	DET
eurjchem-2099	10	36	compound	compound	NOUN
eurjchem-2099	10	37	2-(4	2-(4	PROPN
eurjchem-2099	10	38	-	-	PUNCT
eurjchem-2099	10	39	fluorophenoxy	fluorophenoxy	ADJ
eurjchem-2099	10	40	)	)	PUNCT
eurjchem-2099	10	41	acetic	acetic	ADJ
eurjchem-2099	10	42	acid	acid	NOUN
eurjchem-2099	10	43	was	be	AUX
eurjchem-2099	10	44	synthesized	synthesize	VERB
eurjchem-2099	10	45	by	by	ADP
eurjchem-2099	10	46	refluxing	refluxing	NOUN
eurjchem-2099	10	47	,	,	PUNCT
eurjchem-2099	10	48	4	4	NUM
eurjchem-2099	10	49	-	-	PUNCT
eurjchem-2099	10	50	fluorophenol	fluorophenol	NOUN
eurjchem-2099	10	51	as	as	ADP
eurjchem-2099	10	52	a	a	DET
eurjchem-2099	10	53	starting	starting	NOUN
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eurjchem-2099	10	55	with	with	ADP
eurjchem-2099	10	56	ethyl	ethyl	PROPN
eurjchem-2099	10	57	chloroacetate	chloroacetate	NOUN
eurjchem-2099	10	58	in	in	ADP
eurjchem-2099	10	59	acetone	acetone	NOUN
eurjchem-2099	10	60	as	as	ADP
eurjchem-2099	10	61	solvent	solvent	NOUN
eurjchem-2099	10	62	.	.	PUNCT
eurjchem-2099	11	1	the	the	DET
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eurjchem-2099	11	4	in	in	ADP
eurjchem-2099	11	5	the	the	DET
eurjchem-2099	11	6	monoclinic	monoclinic	ADJ
eurjchem-2099	11	7	crystal	crystal	NOUN
eurjchem-2099	11	8	system	system	NOUN
eurjchem-2099	11	9	with	with	ADP
eurjchem-2099	11	10	the	the	DET
eurjchem-2099	11	11	space	space	NOUN
eurjchem-2099	11	12	group	group	NOUN
eurjchem-2099	11	13	p21	p21	PROPN
eurjchem-2099	11	14	/	/	SYM
eurjchem-2099	11	15	c.	c.	PROPN
eurjchem-2099	11	16	crystal	crystal	PROPN
eurjchem-2099	11	17	data	datum	NOUN
eurjchem-2099	11	18	for	for	ADP
eurjchem-2099	11	19	c8h7fo3	c8h7fo3	NOUN
eurjchem-2099	11	20	,	,	PUNCT
eurjchem-2099	11	21	a	a	DET
eurjchem-2099	11	22	=	=	SYM
eurjchem-2099	11	23	13.3087(17	13.3087(17	NUM
eurjchem-2099	11	24	)	)	PUNCT
eurjchem-2099	11	25	å	å	PROPN
eurjchem-2099	11	26	,	,	PUNCT
eurjchem-2099	11	27	b	b	NOUN
eurjchem-2099	11	28	=	=	SYM
eurjchem-2099	11	29	4.9912(6	4.9912(6	NUM
eurjchem-2099	11	30	)	)	PUNCT
eurjchem-2099	12	1	å	å	NOUN
eurjchem-2099	12	2	,	,	PUNCT
eurjchem-2099	12	3	c	c	NOUN
eurjchem-2099	12	4	=	=	SYM
eurjchem-2099	12	5	11.6018(15	11.6018(15	NUM
eurjchem-2099	12	6	)	)	PUNCT
eurjchem-2099	12	7	å	å	NOUN
eurjchem-2099	12	8	,	,	PUNCT
eurjchem-2099	12	9	β	β	X
eurjchem-2099	12	10	=	=	SYM
eurjchem-2099	12	11	104.171(4	104.171(4	NUM
eurjchem-2099	12	12	)	)	PUNCT
eurjchem-2099	12	13	°	°	NOUN
eurjchem-2099	12	14	,	,	PUNCT
eurjchem-2099	12	15	v	v	NOUN
eurjchem-2099	12	16	=	=	SYM
eurjchem-2099	12	17	747.21(16	747.21(16	NOUN
eurjchem-2099	12	18	)	)	PUNCT
eurjchem-2099	12	19	å3	å3	PROPN
eurjchem-2099	12	20	,	,	PUNCT
eurjchem-2099	12	21	z	z	NOUN
eurjchem-2099	12	22	=	=	SYM
eurjchem-2099	12	23	4	4	NUM
eurjchem-2099	12	24	,	,	PUNCT
eurjchem-2099	12	25	t	t	NOUN
eurjchem-2099	12	26	=	=	SYM
eurjchem-2099	12	27	293(2	293(2	NUM
eurjchem-2099	12	28	)	)	PUNCT
eurjchem-2099	12	29	k	k	NOUN
eurjchem-2099	12	30	,	,	PUNCT
eurjchem-2099	12	31	μ(cukα	μ(cukα	NOUN
eurjchem-2099	12	32	)	)	PUNCT
eurjchem-2099	12	33	=	=	PUNCT
eurjchem-2099	13	1	1.142	1.142	NUM
eurjchem-2099	13	2	mm-1	mm-1	NOUN
eurjchem-2099	13	3	,	,	PUNCT
eurjchem-2099	13	4	dcalc	dcalc	NOUN
eurjchem-2099	13	5	=	=	NOUN
eurjchem-2099	13	6	1.512	1.512	NUM
eurjchem-2099	13	7	g	g	NOUN
eurjchem-2099	13	8	/	/	SYM
eurjchem-2099	13	9	cm3	cm3	NOUN
eurjchem-2099	13	10	,	,	PUNCT
eurjchem-2099	13	11	8759	8759	NUM
eurjchem-2099	13	12	reflections	reflection	NOUN
eurjchem-2099	13	13	measured	measure	VERB
eurjchem-2099	13	14	(	(	PUNCT
eurjchem-2099	13	15	13.72	13.72	NUM
eurjchem-2099	13	16	°	°	NOUN
eurjchem-2099	13	17	≤	≤	NUM
eurjchem-2099	13	18	2θ	2θ	NUM
eurjchem-2099	13	19	≤	≤	PROPN
eurjchem-2099	13	20	130.62	130.62	NUM
eurjchem-2099	13	21	°	°	NOUN
eurjchem-2099	13	22	)	)	PUNCT
eurjchem-2099	13	23	,	,	PUNCT
eurjchem-2099	13	24	1246	1246	NUM
eurjchem-2099	13	25	unique	unique	ADJ
eurjchem-2099	13	26	(	(	PUNCT
eurjchem-2099	13	27	rint	rint	NOUN
eurjchem-2099	13	28	=	=	SYM
eurjchem-2099	13	29	0.0528	0.0528	NUM
eurjchem-2099	13	30	)	)	PUNCT
eurjchem-2099	13	31	which	which	PRON
eurjchem-2099	13	32	were	be	AUX
eurjchem-2099	13	33	used	use	VERB
eurjchem-2099	13	34	in	in	ADP
eurjchem-2099	13	35	all	all	DET
eurjchem-2099	13	36	calculations	calculation	NOUN
eurjchem-2099	13	37	.	.	PUNCT
eurjchem-2099	14	1	the	the	DET
eurjchem-2099	14	2	final	final	ADJ
eurjchem-2099	14	3	r1	r1	NOUN
eurjchem-2099	14	4	was	be	AUX
eurjchem-2099	14	5	0.0458	0.0458	NUM
eurjchem-2099	14	6	(	(	PUNCT
eurjchem-2099	14	7	>	>	NOUN
eurjchem-2099	14	8	2sigma(i	2sigma(i	NUM
eurjchem-2099	14	9	)	)	PUNCT
eurjchem-2099	14	10	)	)	PUNCT
eurjchem-2099	15	1	and	and	CCONJ
eurjchem-2099	15	2	wr2	wr2	PROPN
eurjchem-2099	15	3	was	be	AUX
eurjchem-2099	15	4	0.1313	0.1313	NUM
eurjchem-2099	15	5	(	(	PUNCT
eurjchem-2099	15	6	all	all	DET
eurjchem-2099	15	7	data	datum	NOUN
eurjchem-2099	15	8	)	)	PUNCT
eurjchem-2099	15	9	.	.	PUNCT
eurjchem-2099	16	1	the	the	DET
eurjchem-2099	16	2	structure	structure	NOUN
eurjchem-2099	16	3	was	be	AUX
eurjchem-2099	16	4	stabilized	stabilize	VERB
eurjchem-2099	16	5	by	by	ADP
eurjchem-2099	16	6	c	c	PROPN
eurjchem-2099	16	7	-	-	PUNCT
eurjchem-2099	16	8	h···o	h···o	PROPN
eurjchem-2099	16	9	and	and	CCONJ
eurjchem-2099	16	10	c	c	NOUN
eurjchem-2099	16	11	-	-	PUNCT
eurjchem-2099	16	12	h···cg	h···cg	NOUN
eurjchem-2099	16	13	interactions	interaction	NOUN
eurjchem-2099	16	14	.	.	PUNCT
eurjchem-2099	17	1	the	the	DET
eurjchem-2099	17	2	intermolecular	intermolecular	ADJ
eurjchem-2099	17	3	interactions	interaction	NOUN
eurjchem-2099	17	4	in	in	ADP
eurjchem-2099	17	5	the	the	DET
eurjchem-2099	17	6	crystal	crystal	NOUN
eurjchem-2099	17	7	were	be	AUX
eurjchem-2099	17	8	studied	study	VERB
eurjchem-2099	17	9	using	use	VERB
eurjchem-2099	17	10	hirshfeld	hirshfeld	PROPN
eurjchem-2099	17	11	surface	surface	NOUN
eurjchem-2099	17	12	analysis	analysis	NOUN
eurjchem-2099	17	13	.	.	PUNCT
eurjchem-2099	18	1	3d	3d	NUM
eurjchem-2099	18	2	energy	energy	NOUN
eurjchem-2099	18	3	frameworks	framework	NOUN
eurjchem-2099	18	4	were	be	AUX
eurjchem-2099	18	5	computed	compute	VERB
eurjchem-2099	18	6	to	to	PART
eurjchem-2099	18	7	visualize	visualize	VERB
eurjchem-2099	18	8	the	the	DET
eurjchem-2099	18	9	packing	packing	NOUN
eurjchem-2099	18	10	modes	mode	NOUN
eurjchem-2099	18	11	.	.	PUNCT
eurjchem-2099	19	1	dft	dft	PROPN
eurjchem-2099	19	2	calculations	calculation	NOUN
eurjchem-2099	19	3	were	be	AUX
eurjchem-2099	19	4	performed	perform	VERB
eurjchem-2099	19	5	.	.	PUNCT
eurjchem-2099	20	1	the	the	DET
eurjchem-2099	20	2	fmos	fmos	PROPN
eurjchem-2099	20	3	were	be	AUX
eurjchem-2099	20	4	studied	study	VERB
eurjchem-2099	20	5	to	to	PART
eurjchem-2099	20	6	estimate	estimate	VERB
eurjchem-2099	20	7	the	the	DET
eurjchem-2099	20	8	kinetic	kinetic	ADJ
eurjchem-2099	20	9	stability	stability	NOUN
eurjchem-2099	20	10	and	and	CCONJ
eurjchem-2099	20	11	reactivity	reactivity	NOUN
eurjchem-2099	20	12	of	of	ADP
eurjchem-2099	20	13	the	the	DET
eurjchem-2099	20	14	molecule	molecule	NOUN
eurjchem-2099	20	15	.	.	PUNCT
eurjchem-2099	21	1	the	the	DET
eurjchem-2099	21	2	mep	mep	PROPN
eurjchem-2099	21	3	surface	surface	PROPN
eurjchem-2099	21	4	was	be	AUX
eurjchem-2099	21	5	generated	generate	VERB
eurjchem-2099	21	6	to	to	PART
eurjchem-2099	21	7	investigate	investigate	VERB
eurjchem-2099	21	8	the	the	DET
eurjchem-2099	21	9	charge	charge	NOUN
eurjchem-2099	21	10	distribution	distribution	NOUN
eurjchem-2099	21	11	and	and	CCONJ
eurjchem-2099	21	12	chemical	chemical	NOUN
eurjchem-2099	21	13	reactive	reactive	ADJ
eurjchem-2099	21	14	sites	site	NOUN
eurjchem-2099	21	15	in	in	ADP
eurjchem-2099	21	16	the	the	DET
eurjchem-2099	21	17	molecule	molecule	NOUN
eurjchem-2099	21	18	.	.	PUNCT
eurjchem-2099	22	1	dft	dft	PROPN
eurjchem-2099	22	2	mep	mep	PROPN
eurjchem-2099	22	3	homo	homo	PROPN
eurjchem-2099	22	4	-	-	PUNCT
eurjchem-2099	22	5	lumo	lumo	NOUN
eurjchem-2099	22	6	crystal	crystal	NOUN
eurjchem-2099	22	7	structure	structure	NOUN
eurjchem-2099	22	8	phenoxyacetic	phenoxyacetic	PROPN
eurjchem-2099	22	9	acid	acid	PROPN
eurjchem-2099	22	10	hirshfeld	hirshfeld	PROPN
eurjchem-2099	22	11	surface	surface	NOUN
eurjchem-2099	22	12	analysis	analysis	NOUN
eurjchem-2099	22	13	cite	cite	VERB
eurjchem-2099	22	14	this	this	PRON
eurjchem-2099	22	15	:	:	PUNCT
eurjchem-2099	22	16	eur	eur	PROPN
eurjchem-2099	22	17	.	.	PUNCT
eurjchem-2099	23	1	j.	j.	PROPN
eurjchem-2099	23	2	chem	chem	PROPN
eurjchem-2099	23	3	.	.	PUNCT
eurjchem-2099	24	1	2021	2021	NUM
eurjchem-2099	24	2	,	,	PUNCT
eurjchem-2099	24	3	12(3	12(3	NUM
eurjchem-2099	24	4	)	)	PUNCT
eurjchem-2099	24	5	,	,	PUNCT
eurjchem-2099	24	6	304	304	NUM
eurjchem-2099	24	7	-	-	SYM
eurjchem-2099	24	8	313	313	NUM
eurjchem-2099	24	9	journal	journal	NOUN
eurjchem-2099	24	10	website	website	NOUN
eurjchem-2099	24	11	:	:	PUNCT
eurjchem-2099	24	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2099	24	13	1	1	X
eurjchem-2099	24	14	.	.	X
eurjchem-2099	24	15	introduction	introduction	NOUN
eurjchem-2099	24	16	organic	organic	ADJ
eurjchem-2099	24	17	synthesis	synthesis	NOUN
eurjchem-2099	24	18	is	be	AUX
eurjchem-2099	24	19	one	one	NUM
eurjchem-2099	24	20	of	of	ADP
eurjchem-2099	24	21	the	the	DET
eurjchem-2099	24	22	most	most	ADV
eurjchem-2099	24	23	important	important	ADJ
eurjchem-2099	24	24	sources	source	NOUN
eurjchem-2099	24	25	of	of	ADP
eurjchem-2099	24	26	new	new	ADJ
eurjchem-2099	24	27	compounds	compound	NOUN
eurjchem-2099	24	28	that	that	PRON
eurjchem-2099	24	29	have	have	VERB
eurjchem-2099	24	30	the	the	DET
eurjchem-2099	24	31	ability	ability	NOUN
eurjchem-2099	24	32	to	to	PART
eurjchem-2099	24	33	bind	bind	VERB
eurjchem-2099	24	34	and	and	CCONJ
eurjchem-2099	24	35	shape	shape	VERB
eurjchem-2099	24	36	new	new	ADJ
eurjchem-2099	24	37	items	item	NOUN
eurjchem-2099	24	38	with	with	ADP
eurjchem-2099	24	39	new	new	ADJ
eurjchem-2099	24	40	chemical	chemical	NOUN
eurjchem-2099	24	41	and	and	CCONJ
eurjchem-2099	24	42	physical	physical	ADJ
eurjchem-2099	24	43	properties	property	NOUN
eurjchem-2099	24	44	that	that	PRON
eurjchem-2099	24	45	affect	affect	VERB
eurjchem-2099	24	46	our	our	PRON
eurjchem-2099	24	47	daily	daily	ADJ
eurjchem-2099	24	48	life	life	NOUN
eurjchem-2099	24	49	in	in	ADP
eurjchem-2099	24	50	medicine	medicine	NOUN
eurjchem-2099	24	51	,	,	PUNCT
eurjchem-2099	24	52	agriculture	agriculture	NOUN
eurjchem-2099	24	53	,	,	PUNCT
eurjchem-2099	24	54	and	and	CCONJ
eurjchem-2099	24	55	life	life	NOUN
eurjchem-2099	24	56	in	in	ADP
eurjchem-2099	24	57	general	general	ADJ
eurjchem-2099	24	58	[	[	X
eurjchem-2099	24	59	1	1	NUM
eurjchem-2099	24	60	-	-	SYM
eurjchem-2099	24	61	3	3	NUM
eurjchem-2099	24	62	]	]	PUNCT
eurjchem-2099	24	63	.	.	PUNCT
eurjchem-2099	25	1	phenoxy	phenoxy	ADJ
eurjchem-2099	25	2	acids	acid	NOUN
eurjchem-2099	25	3	are	be	AUX
eurjchem-2099	25	4	unquestionably	unquestionably	ADV
eurjchem-2099	25	5	among	among	ADP
eurjchem-2099	25	6	the	the	DET
eurjchem-2099	25	7	most	most	ADV
eurjchem-2099	25	8	significant	significant	ADJ
eurjchem-2099	25	9	functional	functional	ADJ
eurjchem-2099	25	10	groups	group	NOUN
eurjchem-2099	25	11	in	in	ADP
eurjchem-2099	25	12	organic	organic	ADJ
eurjchem-2099	25	13	chemistry	chemistry	NOUN
eurjchem-2099	25	14	.	.	PUNCT
eurjchem-2099	26	1	they	they	PRON
eurjchem-2099	26	2	are	be	AUX
eurjchem-2099	26	3	present	present	ADJ
eurjchem-2099	26	4	,	,	PUNCT
eurjchem-2099	26	5	among	among	ADP
eurjchem-2099	26	6	several	several	ADJ
eurjchem-2099	26	7	other	other	ADJ
eurjchem-2099	26	8	structures	structure	NOUN
eurjchem-2099	26	9	,	,	PUNCT
eurjchem-2099	26	10	in	in	ADP
eurjchem-2099	26	11	certain	certain	ADJ
eurjchem-2099	26	12	naturally	naturally	ADV
eurjchem-2099	26	13	occurring	occur	VERB
eurjchem-2099	26	14	particles	particle	NOUN
eurjchem-2099	26	15	,	,	PUNCT
eurjchem-2099	26	16	synthesized	synthesize	VERB
eurjchem-2099	26	17	polymers	polymer	NOUN
eurjchem-2099	26	18	,	,	PUNCT
eurjchem-2099	26	19	peptides	peptide	NOUN
eurjchem-2099	26	20	,	,	PUNCT
eurjchem-2099	26	21	and	and	CCONJ
eurjchem-2099	26	22	pharmaceutical	pharmaceutical	NOUN
eurjchem-2099	26	23	agents	agent	NOUN
eurjchem-2099	26	24	[	[	X
eurjchem-2099	26	25	4	4	NUM
eurjchem-2099	26	26	-	-	SYM
eurjchem-2099	26	27	7	7	NUM
eurjchem-2099	26	28	]	]	PUNCT
eurjchem-2099	26	29	.	.	PUNCT
eurjchem-2099	27	1	the	the	DET
eurjchem-2099	27	2	formation	formation	NOUN
eurjchem-2099	27	3	of	of	ADP
eurjchem-2099	27	4	phenoxy	phenoxy	ADJ
eurjchem-2099	27	5	acid	acid	NOUN
eurjchem-2099	27	6	bonds	bond	NOUN
eurjchem-2099	27	7	was	be	AUX
eurjchem-2099	27	8	one	one	NUM
eurjchem-2099	27	9	of	of	ADP
eurjchem-2099	27	10	the	the	DET
eurjchem-2099	27	11	most	most	ADV
eurjchem-2099	27	12	significant	significant	ADJ
eurjchem-2099	27	13	pharmaceutical	pharmaceutical	ADJ
eurjchem-2099	27	14	synthesis	synthesis	NOUN
eurjchem-2099	27	15	transformations	transformation	NOUN
eurjchem-2099	27	16	[	[	X
eurjchem-2099	27	17	8,9	8,9	NUM
eurjchem-2099	27	18	]	]	PUNCT
eurjchem-2099	27	19	,	,	PUNCT
eurjchem-2099	27	20	taking	take	VERB
eurjchem-2099	27	21	into	into	ADP
eurjchem-2099	27	22	account	account	NOUN
eurjchem-2099	27	23	a	a	DET
eurjchem-2099	27	24	high	high	ADJ
eurjchem-2099	27	25	percentage	percentage	NOUN
eurjchem-2099	27	26	of	of	ADP
eurjchem-2099	27	27	all	all	DET
eurjchem-2099	27	28	preliminary	preliminary	ADJ
eurjchem-2099	27	29	evaluation	evaluation	NOUN
eurjchem-2099	27	30	responses	response	NOUN
eurjchem-2099	27	31	in	in	ADP
eurjchem-2099	27	32	industrial	industrial	ADJ
eurjchem-2099	27	33	and	and	CCONJ
eurjchem-2099	27	34	medical	medical	ADJ
eurjchem-2099	27	35	applications	application	NOUN
eurjchem-2099	27	36	laboratories	laboratory	NOUN
eurjchem-2099	27	37	as	as	SCONJ
eurjchem-2099	27	38	recently	recently	ADV
eurjchem-2099	27	39	reported	report	VERB
eurjchem-2099	27	40	[	[	X
eurjchem-2099	27	41	10	10	NUM
eurjchem-2099	27	42	]	]	PUNCT
eurjchem-2099	27	43	.	.	PUNCT
eurjchem-2099	28	1	the	the	DET
eurjchem-2099	28	2	true	true	ADJ
eurjchem-2099	28	3	usefulness	usefulness	NOUN
eurjchem-2099	28	4	of	of	ADP
eurjchem-2099	28	5	phenoxy	phenoxy	ADJ
eurjchem-2099	28	6	systems	system	NOUN
eurjchem-2099	28	7	for	for	ADP
eurjchem-2099	28	8	medicinal	medicinal	ADJ
eurjchem-2099	28	9	chemists	chemist	NOUN
eurjchem-2099	28	10	is	be	AUX
eurjchem-2099	28	11	the	the	DET
eurjchem-2099	28	12	ability	ability	NOUN
eurjchem-2099	28	13	to	to	PART
eurjchem-2099	28	14	synthesize	synthesize	VERB
eurjchem-2099	28	15	one	one	NUM
eurjchem-2099	28	16	library	library	NOUN
eurjchem-2099	28	17	based	base	VERB
eurjchem-2099	28	18	on	on	ADP
eurjchem-2099	28	19	a	a	DET
eurjchem-2099	28	20	particular	particular	ADJ
eurjchem-2099	28	21	core	core	NOUN
eurjchem-2099	28	22	scaffold	scaffold	NOUN
eurjchem-2099	28	23	and	and	CCONJ
eurjchem-2099	28	24	screen	screen	NOUN
eurjchem-2099	28	25	it	it	PRON
eurjchem-2099	28	26	against	against	ADP
eurjchem-2099	28	27	a	a	DET
eurjchem-2099	28	28	wide	wide	ADJ
eurjchem-2099	28	29	range	range	NOUN
eurjchem-2099	28	30	of	of	ADP
eurjchem-2099	28	31	different	different	ADJ
eurjchem-2099	28	32	receptors	receptor	NOUN
eurjchem-2099	28	33	,	,	PUNCT
eurjchem-2099	28	34	gaining	gain	VERB
eurjchem-2099	28	35	several	several	ADJ
eurjchem-2099	28	36	active	active	ADJ
eurjchem-2099	28	37	compounds	compound	NOUN
eurjchem-2099	28	38	.	.	PUNCT
eurjchem-2099	29	1	phenoxy	phenoxy	PROPN
eurjchem-2099	29	2	acid	acid	PROPN
eurjchem-2099	29	3	analogs	analog	NOUN
eurjchem-2099	29	4	are	be	AUX
eurjchem-2099	29	5	considered	consider	VERB
eurjchem-2099	29	6	really	really	ADV
eurjchem-2099	29	7	significant	significant	ADJ
eurjchem-2099	29	8	substances	substance	NOUN
eurjchem-2099	29	9	in	in	ADP
eurjchem-2099	29	10	medicinal	medicinal	ADJ
eurjchem-2099	29	11	chemistry	chemistry	NOUN
eurjchem-2099	29	12	.	.	PUNCT
eurjchem-2099	30	1	the	the	DET
eurjchem-2099	30	2	molecules	molecule	NOUN
eurjchem-2099	30	3	have	have	AUX
eurjchem-2099	30	4	also	also	ADV
eurjchem-2099	30	5	been	be	AUX
eurjchem-2099	30	6	found	find	VERB
eurjchem-2099	30	7	to	to	PART
eurjchem-2099	30	8	provide	provide	VERB
eurjchem-2099	30	9	a	a	DET
eurjchem-2099	30	10	great	great	ADJ
eurjchem-2099	30	11	antifungal	antifungal	ADJ
eurjchem-2099	30	12	event	event	NOUN
eurjchem-2099	30	13	against	against	ADP
eurjchem-2099	30	14	microorganisms	microorganism	NOUN
eurjchem-2099	30	15	.	.	PUNCT
eurjchem-2099	31	1	they	they	PRON
eurjchem-2099	31	2	also	also	ADV
eurjchem-2099	31	3	have	have	VERB
eurjchem-2099	31	4	moderate	moderate	ADJ
eurjchem-2099	31	5	activity	activity	NOUN
eurjchem-2099	31	6	against	against	ADP
eurjchem-2099	31	7	gram	gram	NOUN
eurjchem-2099	31	8	-	-	PUNCT
eurjchem-2099	31	9	negative	negative	ADJ
eurjchem-2099	31	10	bacteria	bacteria	NOUN
eurjchem-2099	31	11	compared	compare	VERB
eurjchem-2099	31	12	to	to	ADP
eurjchem-2099	31	13	regular	regular	ADJ
eurjchem-2099	31	14	standard	standard	ADJ
eurjchem-2099	31	15	ciprofloxacin	ciprofloxacin	NOUN
eurjchem-2099	32	1	[	[	X
eurjchem-2099	32	2	11	11	NUM
eurjchem-2099	32	3	]	]	PUNCT
eurjchem-2099	32	4	.	.	PUNCT
eurjchem-2099	33	1	compounds	compound	NOUN
eurjchem-2099	33	2	with	with	ADP
eurjchem-2099	33	3	a	a	DET
eurjchem-2099	33	4	phenoxy	phenoxy	ADJ
eurjchem-2099	33	5	acetamide	acetamide	NOUN
eurjchem-2099	33	6	core	core	NOUN
eurjchem-2099	33	7	structure	structure	NOUN
eurjchem-2099	33	8	have	have	AUX
eurjchem-2099	33	9	attracted	attract	VERB
eurjchem-2099	33	10	considerable	considerable	ADJ
eurjchem-2099	33	11	interest	interest	NOUN
eurjchem-2099	33	12	as	as	SCONJ
eurjchem-2099	33	13	these	these	DET
eurjchem-2099	33	14	derivatives	derivative	NOUN
eurjchem-2099	33	15	have	have	AUX
eurjchem-2099	33	16	established	establish	VERB
eurjchem-2099	33	17	a	a	DET
eurjchem-2099	33	18	wonderful	wonderful	ADJ
eurjchem-2099	33	19	range	range	NOUN
eurjchem-2099	33	20	of	of	ADP
eurjchem-2099	33	21	pharmacological	pharmacological	NOUN
eurjchem-2099	33	22	potentials	potential	NOUN
eurjchem-2099	33	23	such	such	ADJ
eurjchem-2099	33	24	as	as	ADP
eurjchem-2099	33	25	anti	anti	ADJ
eurjchem-2099	33	26	-	-	ADJ
eurjchem-2099	33	27	inflammatory	inflammatory	ADJ
eurjchem-2099	33	28	,	,	PUNCT
eurjchem-2099	33	29	antibacterial	antibacterial	ADJ
eurjchem-2099	33	30	,	,	PUNCT
eurjchem-2099	33	31	anti	anti	ADJ
eurjchem-2099	33	32	-	-	ADJ
eurjchem-2099	33	33	parasitic	parasitic	ADJ
eurjchem-2099	33	34	,	,	PUNCT
eurjchem-2099	33	35	anti	anti	ADJ
eurjchem-2099	33	36	-	-	ADJ
eurjchem-2099	33	37	cancer	cancer	ADJ
eurjchem-2099	33	38	,	,	PUNCT
eurjchem-2099	33	39	anti	anti	ADJ
eurjchem-2099	33	40	-	-	ADJ
eurjchem-2099	33	41	viral	viral	ADJ
eurjchem-2099	33	42	and	and	CCONJ
eurjchem-2099	33	43	antihypoglycemic	antihypoglycemic	ADJ
eurjchem-2099	33	44	effects	effect	NOUN
eurjchem-2099	34	1	[	[	X
eurjchem-2099	34	2	12	12	NUM
eurjchem-2099	34	3	-	-	SYM
eurjchem-2099	34	4	20	20	NUM
eurjchem-2099	34	5	]	]	PUNCT
eurjchem-2099	34	6	.	.	PUNCT
eurjchem-2099	35	1	the	the	DET
eurjchem-2099	35	2	effects	effect	NOUN
eurjchem-2099	35	3	of	of	ADP
eurjchem-2099	35	4	aryloxyaliphatic	aryloxyaliphatic	ADJ
eurjchem-2099	35	5	acid	acid	NOUN
eurjchem-2099	35	6	on	on	ADP
eurjchem-2099	35	7	blood	blood	NOUN
eurjchem-2099	35	8	vessel	vessel	NOUN
eurjchem-2099	35	9	permeability	permeability	NOUN
eurjchem-2099	35	10	and	and	CCONJ
eurjchem-2099	35	11	the	the	DET
eurjchem-2099	35	12	antimicrobial	antimicrobial	ADJ
eurjchem-2099	35	13	action	action	NOUN
eurjchem-2099	35	14	of	of	ADP
eurjchem-2099	35	15	phenoxyacetic	phenoxyacetic	ADJ
eurjchem-2099	35	16	acid	acid	NOUN
eurjchem-2099	35	17	against	against	ADP
eurjchem-2099	35	18	human	human	ADJ
eurjchem-2099	35	19	pathogens	pathogen	NOUN
eurjchem-2099	35	20	have	have	AUX
eurjchem-2099	35	21	been	be	AUX
eurjchem-2099	35	22	recorded	record	VERB
eurjchem-2099	35	23	.	.	PUNCT
eurjchem-2099	36	1	azomethine	azomethine	VERB
eurjchem-2099	36	2	and	and	CCONJ
eurjchem-2099	36	3	its	its	PRON
eurjchem-2099	36	4	phenoxy	phenoxy	ADJ
eurjchem-2099	36	5	acetic	acetic	ADJ
eurjchem-2099	36	6	acid	acid	NOUN
eurjchem-2099	36	7	-	-	PUNCT
eurjchem-2099	36	8	derived	derive	VERB
eurjchem-2099	36	9	complexes	complex	NOUN
eurjchem-2099	36	10	have	have	AUX
eurjchem-2099	36	11	reported	report	VERB
eurjchem-2099	36	12	biological	biological	ADJ
eurjchem-2099	36	13	importance	importance	NOUN
eurjchem-2099	36	14	including	include	VERB
eurjchem-2099	36	15	pyridoxal	pyridoxal	ADJ
eurjchem-2099	36	16	phosphate	phosphate	ADJ
eurjchem-2099	36	17	anti	anti	ADJ
eurjchem-2099	36	18	-	-	ADJ
eurjchem-2099	36	19	metabolites	metabolite	NOUN
eurjchem-2099	36	20	,	,	PUNCT
eurjchem-2099	36	21	bacteriostatic	bacteriostatic	ADJ
eurjchem-2099	36	22	activity	activity	NOUN
eurjchem-2099	36	23	,	,	PUNCT
eurjchem-2099	36	24	and	and	CCONJ
eurjchem-2099	36	25	antitumor	antitumor	PROPN
eurjchem-2099	36	26	activity	activity	NOUN
eurjchem-2099	36	27	[	[	X
eurjchem-2099	36	28	21	21	NUM
eurjchem-2099	36	29	-	-	SYM
eurjchem-2099	36	30	26	26	NUM
eurjchem-2099	36	31	]	]	PUNCT
eurjchem-2099	36	32	.	.	PUNCT
eurjchem-2099	37	1	in	in	ADP
eurjchem-2099	37	2	view	view	NOUN
eurjchem-2099	37	3	of	of	ADP
eurjchem-2099	37	4	their	their	PRON
eurjchem-2099	37	5	broad	broad	ADJ
eurjchem-2099	37	6	spectrum	spectrum	NOUN
eurjchem-2099	37	7	of	of	ADP
eurjchem-2099	37	8	medicinal	medicinal	ADJ
eurjchem-2099	37	9	properties	property	NOUN
eurjchem-2099	37	10	and	and	CCONJ
eurjchem-2099	37	11	as	as	ADP
eurjchem-2099	37	12	a	a	DET
eurjchem-2099	37	13	part	part	NOUN
eurjchem-2099	37	14	of	of	ADP
eurjchem-2099	37	15	our	our	PRON
eurjchem-2099	37	16	ongoing	ongoing	ADJ
eurjchem-2099	37	17	work	work	NOUN
eurjchem-2099	37	18	on	on	ADP
eurjchem-2099	37	19	the	the	DET
eurjchem-2099	37	20	synthesis	synthesis	NOUN
eurjchem-2099	37	21	and	and	CCONJ
eurjchem-2099	37	22	characterization	characterization	NOUN
eurjchem-2099	37	23	of	of	ADP
eurjchem-2099	37	24	novel	novel	ADJ
eurjchem-2099	37	25	compounds	compound	NOUN
eurjchem-2099	37	26	[	[	PUNCT
eurjchem-2099	37	27	27	27	NUM
eurjchem-2099	37	28	-	-	SYM
eurjchem-2099	37	29	29	29	NUM
eurjchem-2099	37	30	]	]	PUNCT
eurjchem-2099	37	31	,	,	PUNCT
eurjchem-2099	37	32	the	the	DET
eurjchem-2099	37	33	title	title	NOUN
eurjchem-2099	37	34	compound	compound	NOUN
eurjchem-2099	37	35	was	be	AUX
eurjchem-2099	37	36	synthesized	synthesize	VERB
eurjchem-2099	37	37	.	.	PUNCT
eurjchem-2099	38	1	abstract	abstract	ADJ
eurjchem-2099	38	2	research	research	NOUN
eurjchem-2099	38	3	article	article	NOUN
eurjchem-2099	38	4	keywords	keyword	VERB
eurjchem-2099	38	5	https://dx.doi.org/10.5155/eurjchem.12.3.304-313.2099	https://dx.doi.org/10.5155/eurjchem.12.3.304-313.2099	PROPN
eurjchem-2099	38	6	https://www.eurjchem.com/	https://www.eurjchem.com/	ADJ
eurjchem-2099	38	7	https://dx.doi.org/10.5155/eurjchem.12.3.304-313.2099	https://dx.doi.org/10.5155/eurjchem.12.3.304-313.2099	PROPN
eurjchem-2099	38	8	mailto:akhila@uomphysics.net	mailto:akhila@uomphysics.net	PROPN
eurjchem-2099	38	9	mailto:geetha@uomphysics.net	mailto:geetha@uomphysics.net	NOUN
eurjchem-2099	38	10	mailto:mas@physics.uni-mysore.ac.in	mailto:mas@physics.uni-mysore.ac.in	NOUN
eurjchem-2099	38	11	mailto:lokanath@physics.uni-mysore.ac.in	mailto:lokanath@physics.uni-mysore.ac.in	NUM
eurjchem-2099	38	12	mailto:issayasser16@gmail.com	mailto:issayasser16@gmail.com	PROPN
eurjchem-2099	38	13	mailto:faresalostoot@gmail.com	mailto:faresalostoot@gmail.com	PROPN
eurjchem-2099	38	14	mailto:shaukathara@yahoo.co.in	mailto:shaukathara@yahoo.co.in	PROPN
eurjchem-2099	38	15	mailto:mas@physics.uni-mysore.ac.in	mailto:mas@physics.uni-mysore.ac.in	PROPN
eurjchem-2099	38	16	http://www.eurjchem.com/	http://www.eurjchem.com/	NOUN
eurjchem-2099	39	1	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.12.3.304-313.2099&domain=pdf&date_stamp=2021-09-30	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.12.3.304-313.2099&domain=pdf&date_stamp=2021-09-30	PROPN
eurjchem-2099	39	2	prabhuswamy	prabhuswamy	PROPN
eurjchem-2099	39	3	et	et	PROPN
eurjchem-2099	39	4	al	al	PROPN
eurjchem-2099	39	5	.	.	PUNCT
eurjchem-2099	39	6	/	/	SYM
eurjchem-2099	39	7	european	european	PROPN
eurjchem-2099	39	8	journal	journal	PROPN
eurjchem-2099	39	9	of	of	ADP
eurjchem-2099	39	10	chemistry	chemistry	NOUN
eurjchem-2099	39	11	12	12	NUM
eurjchem-2099	39	12	(	(	PUNCT
eurjchem-2099	39	13	3	3	NUM
eurjchem-2099	39	14	)	)	PUNCT
eurjchem-2099	39	15	(	(	PUNCT
eurjchem-2099	39	16	2021	2021	NUM
eurjchem-2099	39	17	)	)	PUNCT
eurjchem-2099	39	18	304	304	NUM
eurjchem-2099	39	19	-	-	SYM
eurjchem-2099	39	20	313	313	NUM
eurjchem-2099	39	21	305	305	NUM
eurjchem-2099	39	22	2021	2021	NUM
eurjchem-2099	39	23	–	–	PUNCT
eurjchem-2099	39	24	european	european	ADJ
eurjchem-2099	39	25	journal	journal	NOUN
eurjchem-2099	39	26	of	of	ADP
eurjchem-2099	39	27	chemistry	chemistry	NOUN
eurjchem-2099	39	28	–	–	PUNCT
eurjchem-2099	39	29	cc	cc	NOUN
eurjchem-2099	39	30	by	by	ADP
eurjchem-2099	39	31	nc	nc	PROPN
eurjchem-2099	39	32	–	–	PUNCT
eurjchem-2099	39	33	doi	doi	PROPN
eurjchem-2099	39	34	:	:	PUNCT
eurjchem-2099	39	35	10.5155	10.5155	NUM
eurjchem-2099	39	36	/	/	SYM
eurjchem-2099	39	37	eurjchem.12.3.304	eurjchem.12.3.304	NOUN
eurjchem-2099	39	38	-	-	SYM
eurjchem-2099	39	39	313.2099	313.2099	NUM
eurjchem-2099	39	40	o	o	PROPN
eurjchem-2099	39	41	ocl	ocl	PROPN
eurjchem-2099	39	42	(	(	PUNCT
eurjchem-2099	39	43	1	1	NUM
eurjchem-2099	39	44	)	)	PUNCT
eurjchem-2099	39	45	(	(	PUNCT
eurjchem-2099	39	46	2	2	NUM
eurjchem-2099	39	47	)	)	PUNCT
eurjchem-2099	39	48	(	(	PUNCT
eurjchem-2099	39	49	3	3	X
eurjchem-2099	39	50	)	)	PUNCT
eurjchem-2099	39	51	(	(	PUNCT
eurjchem-2099	39	52	4	4	X
eurjchem-2099	39	53	)	)	PUNCT
eurjchem-2099	39	54	acetone	acetone	NOUN
eurjchem-2099	39	55	naoh(i	naoh(i	NOUN
eurjchem-2099	39	56	)	)	PUNCT
eurjchem-2099	39	57	(	(	PUNCT
eurjchem-2099	39	58	ii	ii	NOUN
eurjchem-2099	39	59	)	)	PUNCT
eurjchem-2099	39	60	ethanol	ethanol	NOUN
eurjchem-2099	40	1	oh	oh	INTJ
eurjchem-2099	40	2	f	f	NOUN
eurjchem-2099	41	1	o	o	NOUN
eurjchem-2099	41	2	f	f	X
eurjchem-2099	42	1	o	o	NOUN
eurjchem-2099	43	1	o	o	X
eurjchem-2099	43	2	o	o	X
eurjchem-2099	44	1	f	f	X
eurjchem-2099	44	2	o	o	INTJ
eurjchem-2099	44	3	oh	oh	INTJ
eurjchem-2099	44	4	(	(	PUNCT
eurjchem-2099	44	5	i	i	NOUN
eurjchem-2099	44	6	)	)	PUNCT
eurjchem-2099	44	7	(	(	PUNCT
eurjchem-2099	44	8	ii	ii	NOUN
eurjchem-2099	44	9	)	)	PUNCT
eurjchem-2099	44	10	k2co3	k2co3	ADJ
eurjchem-2099	44	11	figure	figure	NOUN
eurjchem-2099	44	12	1	1	NUM
eurjchem-2099	44	13	.	.	PUNCT
eurjchem-2099	44	14	schematic	schematic	ADJ
eurjchem-2099	44	15	representation	representation	NOUN
eurjchem-2099	44	16	of	of	ADP
eurjchem-2099	44	17	the	the	DET
eurjchem-2099	44	18	synthesis	synthesis	NOUN
eurjchem-2099	44	19	of	of	ADP
eurjchem-2099	44	20	the	the	DET
eurjchem-2099	44	21	title	title	NOUN
eurjchem-2099	44	22	compound	compound	NOUN
eurjchem-2099	44	23	.	.	PUNCT
eurjchem-2099	45	1	figure	figure	NOUN
eurjchem-2099	45	2	2	2	NUM
eurjchem-2099	45	3	.	.	PUNCT
eurjchem-2099	45	4	ortep	ortep	NOUN
eurjchem-2099	45	5	diagram	diagram	NOUN
eurjchem-2099	45	6	of	of	ADP
eurjchem-2099	45	7	the	the	DET
eurjchem-2099	45	8	molecule	molecule	NOUN
eurjchem-2099	45	9	drawn	draw	VERB
eurjchem-2099	45	10	at	at	ADP
eurjchem-2099	45	11	50	50	NUM
eurjchem-2099	45	12	%	%	NOUN
eurjchem-2099	45	13	probability	probability	NOUN
eurjchem-2099	45	14	.	.	PUNCT
eurjchem-2099	46	1	the	the	DET
eurjchem-2099	46	2	compound	compound	NOUN
eurjchem-2099	46	3	obtained	obtain	VERB
eurjchem-2099	46	4	was	be	AUX
eurjchem-2099	46	5	characterized	characterize	VERB
eurjchem-2099	46	6	spectroscopically	spectroscopically	ADV
eurjchem-2099	46	7	,	,	PUNCT
eurjchem-2099	46	8	and	and	CCONJ
eurjchem-2099	46	9	the	the	DET
eurjchem-2099	46	10	structure	structure	NOUN
eurjchem-2099	46	11	was	be	AUX
eurjchem-2099	46	12	confirmed	confirm	VERB
eurjchem-2099	46	13	by	by	ADP
eurjchem-2099	46	14	x	x	NOUN
eurjchem-2099	46	15	-	-	NOUN
eurjchem-2099	46	16	ray	ray	NOUN
eurjchem-2099	46	17	diffraction	diffraction	NOUN
eurjchem-2099	46	18	studies	study	NOUN
eurjchem-2099	46	19	.	.	PUNCT
eurjchem-2099	47	1	the	the	DET
eurjchem-2099	47	2	crystal	crystal	NOUN
eurjchem-2099	47	3	structure	structure	NOUN
eurjchem-2099	47	4	characterization	characterization	NOUN
eurjchem-2099	47	5	of	of	ADP
eurjchem-2099	47	6	the	the	DET
eurjchem-2099	47	7	title	title	NOUN
eurjchem-2099	47	8	compound	compound	NOUN
eurjchem-2099	47	9	was	be	AUX
eurjchem-2099	47	10	previously	previously	ADV
eurjchem-2099	47	11	reported	report	VERB
eurjchem-2099	47	12	by	by	ADP
eurjchem-2099	47	13	smith	smith	PROPN
eurjchem-2099	47	14	et	et	PROPN
eurjchem-2099	47	15	al	al	PROPN
eurjchem-2099	47	16	.	.	PUNCT
eurjchem-2099	48	1	[	[	X
eurjchem-2099	48	2	30	30	NUM
eurjchem-2099	48	3	]	]	PUNCT
eurjchem-2099	48	4	.	.	PUNCT
eurjchem-2099	49	1	hirshfeld	hirshfeld	PROPN
eurjchem-2099	49	2	surface	surface	NOUN
eurjchem-2099	49	3	analysis	analysis	NOUN
eurjchem-2099	49	4	and	and	CCONJ
eurjchem-2099	49	5	dft	dft	NOUN
eurjchem-2099	49	6	study	study	NOUN
eurjchem-2099	49	7	of	of	ADP
eurjchem-2099	49	8	the	the	DET
eurjchem-2099	49	9	title	title	NOUN
eurjchem-2099	49	10	compound	compound	NOUN
eurjchem-2099	49	11	were	be	AUX
eurjchem-2099	49	12	presented	present	VERB
eurjchem-2099	49	13	in	in	ADP
eurjchem-2099	49	14	this	this	DET
eurjchem-2099	49	15	article	article	NOUN
eurjchem-2099	49	16	.	.	PUNCT
eurjchem-2099	50	1	2	2	X
eurjchem-2099	50	2	.	.	X
eurjchem-2099	50	3	experimental	experimental	ADJ
eurjchem-2099	50	4	2.1	2.1	NUM
eurjchem-2099	50	5	.	.	PUNCT
eurjchem-2099	51	1	instrumentation	instrumentation	NOUN
eurjchem-2099	51	2	the	the	DET
eurjchem-2099	51	3	chemicals	chemical	NOUN
eurjchem-2099	51	4	required	require	VERB
eurjchem-2099	51	5	for	for	ADP
eurjchem-2099	51	6	the	the	DET
eurjchem-2099	51	7	synthesis	synthesis	NOUN
eurjchem-2099	51	8	of	of	ADP
eurjchem-2099	51	9	the	the	DET
eurjchem-2099	51	10	title	title	NOUN
eurjchem-2099	51	11	compound	compound	NOUN
eurjchem-2099	51	12	were	be	AUX
eurjchem-2099	51	13	procured	procure	VERB
eurjchem-2099	51	14	from	from	ADP
eurjchem-2099	51	15	m	m	PROPN
eurjchem-2099	51	16	/	/	SYM
eurjchem-2099	51	17	s	s	PART
eurjchem-2099	51	18	sigma	sigma	PROPN
eurjchem-2099	51	19	-	-	PUNCT
eurjchem-2099	51	20	aldrich	aldrich	PROPN
eurjchem-2099	51	21	chemical	chemical	PROPN
eurjchem-2099	51	22	co.	co.	PROPN
eurjchem-2099	52	1	the	the	DET
eurjchem-2099	52	2	reaction	reaction	NOUN
eurjchem-2099	52	3	progress	progress	NOUN
eurjchem-2099	52	4	was	be	AUX
eurjchem-2099	52	5	checked	check	VERB
eurjchem-2099	52	6	by	by	ADP
eurjchem-2099	52	7	thin	thin	ADJ
eurjchem-2099	52	8	layer	layer	NOUN
eurjchem-2099	52	9	chromatography	chromatography	NOUN
eurjchem-2099	52	10	(	(	PUNCT
eurjchem-2099	52	11	tlc	tlc	NOUN
eurjchem-2099	52	12	)	)	PUNCT
eurjchem-2099	52	13	which	which	PRON
eurjchem-2099	52	14	was	be	AUX
eurjchem-2099	52	15	performed	perform	VERB
eurjchem-2099	52	16	on	on	ADP
eurjchem-2099	52	17	aluminumbacked	aluminumbacked	ADJ
eurjchem-2099	52	18	silica	silica	NOUN
eurjchem-2099	52	19	plates	plate	NOUN
eurjchem-2099	52	20	and	and	CCONJ
eurjchem-2099	52	21	the	the	DET
eurjchem-2099	52	22	spots	spot	NOUN
eurjchem-2099	52	23	were	be	AUX
eurjchem-2099	52	24	detected	detect	VERB
eurjchem-2099	52	25	by	by	ADP
eurjchem-2099	52	26	exposure	exposure	NOUN
eurjchem-2099	52	27	to	to	ADP
eurjchem-2099	52	28	uv	uv	NOUN
eurjchem-2099	52	29	-	-	PUNCT
eurjchem-2099	52	30	light	light	NOUN
eurjchem-2099	52	31	at	at	ADP
eurjchem-2099	52	32	λ	λ	X
eurjchem-2099	52	33	=	=	NOUN
eurjchem-2099	52	34	254	254	NUM
eurjchem-2099	52	35	nm	nm	NOUN
eurjchem-2099	52	36	.	.	PUNCT
eurjchem-2099	53	1	the	the	DET
eurjchem-2099	53	2	melting	melting	NOUN
eurjchem-2099	53	3	point	point	NOUN
eurjchem-2099	53	4	and	and	CCONJ
eurjchem-2099	53	5	the	the	DET
eurjchem-2099	53	6	boiling	boiling	NOUN
eurjchem-2099	53	7	point	point	NOUN
eurjchem-2099	53	8	were	be	AUX
eurjchem-2099	53	9	measured	measure	VERB
eurjchem-2099	53	10	in	in	ADP
eurjchem-2099	53	11	a	a	DET
eurjchem-2099	53	12	chemiline	chemiline	NOUN
eurjchem-2099	53	13	microcontroller	microcontroller	NOUN
eurjchem-2099	53	14	-	-	PUNCT
eurjchem-2099	53	15	based	base	VERB
eurjchem-2099	53	16	melting	melting	NOUN
eurjchem-2099	53	17	point	point	NOUN
eurjchem-2099	53	18	/	/	SYM
eurjchem-2099	53	19	boiling	boiling	NOUN
eurjchem-2099	53	20	point	point	NOUN
eurjchem-2099	53	21	-	-	PUNCT
eurjchem-2099	53	22	cl725	cl725	PROPN
eurjchem-2099	53	23	apparatus	apparatus	NOUN
eurjchem-2099	53	24	with	with	ADP
eurjchem-2099	53	25	a	a	DET
eurjchem-2099	53	26	digital	digital	ADJ
eurjchem-2099	53	27	thermometer	thermometer	NOUN
eurjchem-2099	53	28	.	.	PUNCT
eurjchem-2099	54	1	the	the	DET
eurjchem-2099	54	2	ir	ir	PROPN
eurjchem-2099	54	3	spectrum	spectrum	NOUN
eurjchem-2099	54	4	was	be	AUX
eurjchem-2099	54	5	recorded	record	VERB
eurjchem-2099	54	6	on	on	ADP
eurjchem-2099	54	7	the	the	DET
eurjchem-2099	54	8	agilent	agilent	PROPN
eurjchem-2099	54	9	technologies	technologies	PROPN
eurjchem-2099	54	10	cary	cary	PROPN
eurjchem-2099	54	11	630	630	NUM
eurjchem-2099	54	12	ftir	ftir	PROPN
eurjchem-2099	54	13	spectrometer	spectrometer	NOUN
eurjchem-2099	54	14	,	,	PUNCT
eurjchem-2099	54	15	1h	1h	NUM
eurjchem-2099	54	16	and	and	CCONJ
eurjchem-2099	54	17	13c	13c	NOUN
eurjchem-2099	54	18	nmr	nmr	NOUN
eurjchem-2099	54	19	spectra	spectra	NOUN
eurjchem-2099	54	20	were	be	AUX
eurjchem-2099	54	21	recorded	record	VERB
eurjchem-2099	54	22	on	on	ADP
eurjchem-2099	54	23	a	a	DET
eurjchem-2099	54	24	vnmrs-400	vnmrs-400	ADJ
eurjchem-2099	54	25	agilent	agilent	PROPN
eurjchem-2099	54	26	-	-	PUNCT
eurjchem-2099	54	27	nmr	nmr	NOUN
eurjchem-2099	54	28	spectrophotometer	spectrophotometer	NOUN
eurjchem-2099	54	29	.	.	PUNCT
eurjchem-2099	55	1	the	the	DET
eurjchem-2099	55	2	mass	mass	PROPN
eurjchem-2099	55	3	spectrum	spectrum	NOUN
eurjchem-2099	55	4	was	be	AUX
eurjchem-2099	55	5	obtained	obtain	VERB
eurjchem-2099	55	6	with	with	ADP
eurjchem-2099	55	7	a	a	DET
eurjchem-2099	55	8	vg70	vg70	PROPN
eurjchem-2099	55	9	-	-	PUNCT
eurjchem-2099	55	10	70h	70h	NOUN
eurjchem-2099	55	11	spectrometer	spectrometer	NOUN
eurjchem-2099	55	12	and	and	CCONJ
eurjchem-2099	55	13	elemental	elemental	ADJ
eurjchem-2099	55	14	analysis	analysis	NOUN
eurjchem-2099	55	15	(	(	PUNCT
eurjchem-2099	55	16	c	c	NOUN
eurjchem-2099	55	17	,	,	PUNCT
eurjchem-2099	55	18	h	h	NOUN
eurjchem-2099	55	19	,	,	PUNCT
eurjchem-2099	55	20	and	and	CCONJ
eurjchem-2099	55	21	n	n	CCONJ
eurjchem-2099	55	22	)	)	PUNCT
eurjchem-2099	55	23	was	be	AUX
eurjchem-2099	55	24	performed	perform	VERB
eurjchem-2099	55	25	on	on	ADP
eurjchem-2099	55	26	an	an	DET
eurjchem-2099	55	27	elemental	elemental	ADJ
eurjchem-2099	55	28	analyzer	analyzer	NOUN
eurjchem-2099	55	29	elementar	elementar	PROPN
eurjchem-2099	55	30	vario	vario	PROPN
eurjchem-2099	55	31	el	el	PROPN
eurjchem-2099	55	32	iii	iii	PROPN
eurjchem-2099	55	33	.	.	PUNCT
eurjchem-2099	56	1	the	the	DET
eurjchem-2099	56	2	results	result	NOUN
eurjchem-2099	56	3	of	of	ADP
eurjchem-2099	56	4	the	the	DET
eurjchem-2099	56	5	elemental	elemental	ADJ
eurjchem-2099	56	6	analysis	analysis	NOUN
eurjchem-2099	56	7	are	be	AUX
eurjchem-2099	56	8	within	within	ADP
eurjchem-2099	56	9	±0.5	±0.5	PROPN
eurjchem-2099	56	10	%	%	NOUN
eurjchem-2099	56	11	of	of	ADP
eurjchem-2099	56	12	the	the	DET
eurjchem-2099	56	13	theoretical	theoretical	ADJ
eurjchem-2099	56	14	values	value	NOUN
eurjchem-2099	56	15	.	.	PUNCT
eurjchem-2099	57	1	2.2	2.2	NUM
eurjchem-2099	57	2	.	.	PUNCT
eurjchem-2099	57	3	synthetic	synthetic	ADJ
eurjchem-2099	57	4	procedure	procedure	NOUN
eurjchem-2099	57	5	for	for	ADP
eurjchem-2099	57	6	2-(4	2-(4	NOUN
eurjchem-2099	57	7	-	-	PUNCT
eurjchem-2099	57	8	fluorophenoxy	fluorophenoxy	ADJ
eurjchem-2099	57	9	)	)	PUNCT
eurjchem-2099	57	10	acetic	acetic	ADJ
eurjchem-2099	57	11	acid	acid	NOUN
eurjchem-2099	57	12	the	the	DET
eurjchem-2099	57	13	compound	compound	NOUN
eurjchem-2099	57	14	2-(4	2-(4	NOUN
eurjchem-2099	57	15	-	-	PUNCT
eurjchem-2099	57	16	fluorophenoxy	fluorophenoxy	ADJ
eurjchem-2099	57	17	)	)	PUNCT
eurjchem-2099	57	18	acetic	acetic	ADJ
eurjchem-2099	57	19	acid	acid	NOUN
eurjchem-2099	57	20	was	be	AUX
eurjchem-2099	57	21	synthesized	synthesize	VERB
eurjchem-2099	57	22	by	by	ADP
eurjchem-2099	57	23	refluxing	refluxe	VERB
eurjchem-2099	57	24	4	4	NUM
eurjchem-2099	57	25	-	-	PUNCT
eurjchem-2099	57	26	fluorophenol	fluorophenol	NOUN
eurjchem-2099	57	27	as	as	ADP
eurjchem-2099	57	28	a	a	DET
eurjchem-2099	57	29	starting	starting	NOUN
eurjchem-2099	57	30	material	material	NOUN
eurjchem-2099	57	31	with	with	ADP
eurjchem-2099	57	32	ethyl	ethyl	PROPN
eurjchem-2099	57	33	chloroacetate	chloroacetate	NOUN
eurjchem-2099	57	34	in	in	ADP
eurjchem-2099	57	35	acetone	acetone	NOUN
eurjchem-2099	57	36	as	as	ADP
eurjchem-2099	57	37	solvent	solvent	ADJ
eurjchem-2099	57	38	to	to	PART
eurjchem-2099	57	39	achieve	achieve	VERB
eurjchem-2099	57	40	the	the	DET
eurjchem-2099	57	41	corresponding	correspond	VERB
eurjchem-2099	57	42	ester	ester	NOUN
eurjchem-2099	57	43	as	as	ADP
eurjchem-2099	57	44	4	4	NUM
eurjchem-2099	57	45	-	-	PUNCT
eurjchem-2099	57	46	fluorophenoxy	fluorophenoxy	ADJ
eurjchem-2099	57	47	ethyl	ethyl	PROPN
eurjchem-2099	57	48	acetate	acetate	NOUN
eurjchem-2099	57	49	(	(	PUNCT
eurjchem-2099	57	50	3	3	NUM
eurjchem-2099	57	51	)	)	PUNCT
eurjchem-2099	57	52	.	.	PUNCT
eurjchem-2099	58	1	this	this	PRON
eurjchem-2099	58	2	was	be	AUX
eurjchem-2099	58	3	followed	follow	VERB
eurjchem-2099	58	4	by	by	ADP
eurjchem-2099	58	5	hydrolysis	hydrolysis	NOUN
eurjchem-2099	58	6	with	with	ADP
eurjchem-2099	58	7	sodium	sodium	NOUN
eurjchem-2099	58	8	hydroxide	hydroxide	NOUN
eurjchem-2099	58	9	in	in	ADP
eurjchem-2099	58	10	the	the	DET
eurjchem-2099	58	11	presence	presence	NOUN
eurjchem-2099	58	12	of	of	ADP
eurjchem-2099	58	13	ethanol	ethanol	NOUN
eurjchem-2099	58	14	.	.	PUNCT
eurjchem-2099	59	1	a	a	DET
eurjchem-2099	59	2	mixture	mixture	NOUN
eurjchem-2099	59	3	of	of	ADP
eurjchem-2099	59	4	4	4	NUM
eurjchem-2099	59	5	-	-	PUNCT
eurjchem-2099	59	6	fluorophenol	fluorophenol	NOUN
eurjchem-2099	59	7	(	(	PUNCT
eurjchem-2099	59	8	0.04	0.04	NUM
eurjchem-2099	59	9	mol	mol	NOUN
eurjchem-2099	59	10	)	)	PUNCT
eurjchem-2099	59	11	,	,	PUNCT
eurjchem-2099	59	12	ethyl	ethyl	PROPN
eurjchem-2099	59	13	chloroacetate	chloroacetate	NOUN
eurjchem-2099	59	14	(	(	PUNCT
eurjchem-2099	59	15	0.040	0.040	NUM
eurjchem-2099	59	16	mol	mol	NOUN
eurjchem-2099	59	17	)	)	PUNCT
eurjchem-2099	59	18	and	and	CCONJ
eurjchem-2099	59	19	anhydrous	anhydrous	ADJ
eurjchem-2099	59	20	potassium	potassium	NOUN
eurjchem-2099	59	21	carbonate	carbonate	NOUN
eurjchem-2099	59	22	(	(	PUNCT
eurjchem-2099	59	23	0.04	0.04	NUM
eurjchem-2099	59	24	mol	mol	NOUN
eurjchem-2099	59	25	)	)	PUNCT
eurjchem-2099	59	26	in	in	ADP
eurjchem-2099	59	27	dry	dry	ADJ
eurjchem-2099	59	28	acetone	acetone	NOUN
eurjchem-2099	59	29	(	(	PUNCT
eurjchem-2099	59	30	50	50	NUM
eurjchem-2099	59	31	ml	ml	NOUN
eurjchem-2099	59	32	)	)	PUNCT
eurjchem-2099	59	33	was	be	AUX
eurjchem-2099	59	34	refluxed	refluxe	VERB
eurjchem-2099	59	35	for	for	ADP
eurjchem-2099	59	36	10	10	NUM
eurjchem-2099	59	37	hours	hour	NOUN
eurjchem-2099	59	38	.	.	PUNCT
eurjchem-2099	60	1	then	then	ADV
eurjchem-2099	60	2	the	the	DET
eurjchem-2099	60	3	reaction	reaction	NOUN
eurjchem-2099	60	4	mixture	mixture	NOUN
eurjchem-2099	60	5	was	be	AUX
eurjchem-2099	60	6	cooled	cool	VERB
eurjchem-2099	60	7	and	and	CCONJ
eurjchem-2099	60	8	the	the	DET
eurjchem-2099	60	9	solvent	solvent	NOUN
eurjchem-2099	60	10	was	be	AUX
eurjchem-2099	60	11	removed	remove	VERB
eurjchem-2099	60	12	by	by	ADP
eurjchem-2099	60	13	distillation	distillation	NOUN
eurjchem-2099	60	14	.	.	PUNCT
eurjchem-2099	61	1	the	the	DET
eurjchem-2099	61	2	residual	residual	ADJ
eurjchem-2099	61	3	mass	mass	NOUN
eurjchem-2099	61	4	was	be	AUX
eurjchem-2099	61	5	triturated	triturate	VERB
eurjchem-2099	61	6	with	with	ADP
eurjchem-2099	61	7	cold	cold	ADJ
eurjchem-2099	61	8	water	water	NOUN
eurjchem-2099	61	9	to	to	PART
eurjchem-2099	61	10	remove	remove	VERB
eurjchem-2099	61	11	potassium	potassium	NOUN
eurjchem-2099	61	12	carbonate	carbonate	NOUN
eurjchem-2099	61	13	and	and	CCONJ
eurjchem-2099	61	14	extracted	extract	VERB
eurjchem-2099	61	15	with	with	ADP
eurjchem-2099	61	16	ether	ether	NOUN
eurjchem-2099	61	17	(	(	PUNCT
eurjchem-2099	61	18	3×30	3×30	NUM
eurjchem-2099	61	19	ml	ml	NOUN
eurjchem-2099	61	20	)	)	PUNCT
eurjchem-2099	61	21	.	.	PUNCT
eurjchem-2099	62	1	the	the	DET
eurjchem-2099	62	2	organic	organic	ADJ
eurjchem-2099	62	3	layer	layer	NOUN
eurjchem-2099	62	4	was	be	AUX
eurjchem-2099	62	5	then	then	ADV
eurjchem-2099	62	6	washed	wash	VERB
eurjchem-2099	62	7	with	with	ADP
eurjchem-2099	62	8	10	10	NUM
eurjchem-2099	62	9	%	%	NOUN
eurjchem-2099	62	10	sodium	sodium	NOUN
eurjchem-2099	62	11	hydroxide	hydroxide	NOUN
eurjchem-2099	62	12	solution	solution	NOUN
eurjchem-2099	62	13	(	(	PUNCT
eurjchem-2099	62	14	3×30	3×30	NUM
eurjchem-2099	62	15	ml	ml	NOUN
eurjchem-2099	62	16	)	)	PUNCT
eurjchem-2099	62	17	followed	follow	VERB
eurjchem-2099	62	18	by	by	ADP
eurjchem-2099	62	19	water	water	NOUN
eurjchem-2099	62	20	(	(	PUNCT
eurjchem-2099	62	21	3×30	3×30	NUM
eurjchem-2099	62	22	ml	ml	NOUN
eurjchem-2099	62	23	)	)	PUNCT
eurjchem-2099	62	24	and	and	CCONJ
eurjchem-2099	62	25	dried	dry	VERB
eurjchem-2099	62	26	over	over	ADP
eurjchem-2099	62	27	anhydrous	anhydrous	ADJ
eurjchem-2099	62	28	sodium	sodium	NOUN
eurjchem-2099	62	29	sulphate	sulphate	NOUN
eurjchem-2099	62	30	and	and	CCONJ
eurjchem-2099	62	31	evaporated	evaporate	VERB
eurjchem-2099	62	32	to	to	PART
eurjchem-2099	62	33	give	give	VERB
eurjchem-2099	62	34	the	the	DET
eurjchem-2099	62	35	corresponding	correspond	VERB
eurjchem-2099	62	36	4	4	NUM
eurjchem-2099	62	37	-	-	PUNCT
eurjchem-2099	62	38	fluoro	fluoro	NOUN
eurjchem-2099	62	39	phenoxy	phenoxy	PROPN
eurjchem-2099	62	40	ethyl	ethyl	PROPN
eurjchem-2099	62	41	acetate	acetate	NOUN
eurjchem-2099	62	42	ester	ester	NOUN
eurjchem-2099	62	43	(	(	PUNCT
eurjchem-2099	62	44	3	3	NUM
eurjchem-2099	62	45	)	)	PUNCT
eurjchem-2099	62	46	.	.	PUNCT
eurjchem-2099	63	1	the	the	DET
eurjchem-2099	63	2	compound	compound	NOUN
eurjchem-2099	63	3	3	3	NUM
eurjchem-2099	63	4	(	(	PUNCT
eurjchem-2099	63	5	0.015	0.015	NUM
eurjchem-2099	63	6	mol	mol	NOUN
eurjchem-2099	63	7	)	)	PUNCT
eurjchem-2099	63	8	was	be	AUX
eurjchem-2099	63	9	then	then	ADV
eurjchem-2099	63	10	dissolved	dissolve	VERB
eurjchem-2099	63	11	in	in	ADP
eurjchem-2099	63	12	ethanol	ethanol	NOUN
eurjchem-2099	63	13	(	(	PUNCT
eurjchem-2099	63	14	15	15	NUM
eurjchem-2099	63	15	ml	ml	NOUN
eurjchem-2099	63	16	)	)	PUNCT
eurjchem-2099	63	17	with	with	ADP
eurjchem-2099	63	18	sodium	sodium	NOUN
eurjchem-2099	63	19	hydroxide	hydroxide	NOUN
eurjchem-2099	63	20	as	as	ADP
eurjchem-2099	63	21	solvent	solvent	NOUN
eurjchem-2099	63	22	(	(	PUNCT
eurjchem-2099	63	23	0.030	0.030	NUM
eurjchem-2099	63	24	mol	mol	NOUN
eurjchem-2099	63	25	)	)	PUNCT
eurjchem-2099	63	26	,	,	PUNCT
eurjchem-2099	63	27	then	then	ADV
eurjchem-2099	63	28	water	water	NOUN
eurjchem-2099	63	29	(	(	PUNCT
eurjchem-2099	63	30	5	5	NUM
eurjchem-2099	63	31	ml	ml	NOUN
eurjchem-2099	63	32	)	)	PUNCT
eurjchem-2099	63	33	was	be	AUX
eurjchem-2099	63	34	added	add	VERB
eurjchem-2099	63	35	to	to	ADP
eurjchem-2099	63	36	the	the	DET
eurjchem-2099	63	37	reaction	reaction	NOUN
eurjchem-2099	63	38	mixture	mixture	NOUN
eurjchem-2099	63	39	.	.	PUNCT
eurjchem-2099	64	1	the	the	DET
eurjchem-2099	64	2	reaction	reaction	NOUN
eurjchem-2099	64	3	was	be	AUX
eurjchem-2099	64	4	monitored	monitor	VERB
eurjchem-2099	64	5	by	by	ADP
eurjchem-2099	64	6	tlc	tlc	NOUN
eurjchem-2099	64	7	using	use	VERB
eurjchem-2099	64	8	a	a	DET
eurjchem-2099	64	9	hexane	hexane	NOUN
eurjchem-2099	64	10	:	:	PUNCT
eurjchem-2099	64	11	ethyl	ethyl	PROPN
eurjchem-2099	64	12	acetate	acetate	NOUN
eurjchem-2099	64	13	:	:	PUNCT
eurjchem-2099	64	14	methanol	methanol	NOUN
eurjchem-2099	64	15	(	(	PUNCT
eurjchem-2099	64	16	5:2:1	5:2:1	NOUN
eurjchem-2099	64	17	)	)	PUNCT
eurjchem-2099	64	18	system	system	NOUN
eurjchem-2099	64	19	.	.	PUNCT
eurjchem-2099	65	1	the	the	DET
eurjchem-2099	65	2	mixture	mixture	NOUN
eurjchem-2099	65	3	was	be	AUX
eurjchem-2099	65	4	refluxed	refluxe	VERB
eurjchem-2099	65	5	for	for	ADP
eurjchem-2099	65	6	8	8	NUM
eurjchem-2099	65	7	hours	hour	NOUN
eurjchem-2099	65	8	and	and	CCONJ
eurjchem-2099	65	9	the	the	DET
eurjchem-2099	65	10	reaction	reaction	NOUN
eurjchem-2099	65	11	mixture	mixture	NOUN
eurjchem-2099	65	12	was	be	AUX
eurjchem-2099	65	13	cooled	cool	VERB
eurjchem-2099	65	14	and	and	CCONJ
eurjchem-2099	65	15	acidified	acidify	VERB
eurjchem-2099	65	16	with	with	ADP
eurjchem-2099	65	17	2	2	NUM
eurjchem-2099	65	18	n	n	PRON
eurjchem-2099	65	19	hydrochloric	hydrochloric	ADJ
eurjchem-2099	65	20	acid	acid	NOUN
eurjchem-2099	66	1	[	[	X
eurjchem-2099	66	2	31,32	31,32	NUM
eurjchem-2099	66	3	]	]	PUNCT
eurjchem-2099	66	4	.	.	PUNCT
eurjchem-2099	67	1	the	the	DET
eurjchem-2099	67	2	precipitate	precipitate	NOUN
eurjchem-2099	67	3	was	be	AUX
eurjchem-2099	67	4	filtered	filter	VERB
eurjchem-2099	67	5	off	off	ADP
eurjchem-2099	67	6	and	and	CCONJ
eurjchem-2099	67	7	washed	wash	VERB
eurjchem-2099	67	8	with	with	ADP
eurjchem-2099	67	9	water	water	NOUN
eurjchem-2099	67	10	,	,	PUNCT
eurjchem-2099	67	11	and	and	CCONJ
eurjchem-2099	67	12	finally	finally	ADV
eurjchem-2099	67	13	recrystallized	recrystallize	VERB
eurjchem-2099	67	14	from	from	ADP
eurjchem-2099	67	15	ethanol	ethanol	NOUN
eurjchem-2099	67	16	to	to	PART
eurjchem-2099	67	17	yield	yield	VERB
eurjchem-2099	67	18	a	a	DET
eurjchem-2099	67	19	colorless	colorless	ADJ
eurjchem-2099	67	20	needle	needle	NOUN
eurjchem-2099	67	21	-	-	PUNCT
eurjchem-2099	67	22	like	like	ADJ
eurjchem-2099	67	23	crystal	crystal	NOUN
eurjchem-2099	67	24	.	.	PUNCT
eurjchem-2099	68	1	the	the	DET
eurjchem-2099	68	2	schematic	schematic	ADJ
eurjchem-2099	68	3	representation	representation	NOUN
eurjchem-2099	68	4	of	of	ADP
eurjchem-2099	68	5	the	the	DET
eurjchem-2099	68	6	synthesis	synthesis	NOUN
eurjchem-2099	68	7	of	of	ADP
eurjchem-2099	68	8	the	the	DET
eurjchem-2099	68	9	title	title	NOUN
eurjchem-2099	68	10	compound	compound	NOUN
eurjchem-2099	68	11	is	be	AUX
eurjchem-2099	68	12	shown	show	VERB
eurjchem-2099	68	13	in	in	ADP
eurjchem-2099	68	14	figure	figure	NOUN
eurjchem-2099	68	15	1	1	NUM
eurjchem-2099	68	16	.	.	PUNCT
eurjchem-2099	69	1	2-(4	2-(4	NUM
eurjchem-2099	69	2	-	-	PUNCT
eurjchem-2099	69	3	fluorophenoxy	fluorophenoxy	ADJ
eurjchem-2099	69	4	)	)	PUNCT
eurjchem-2099	69	5	acetic	acetic	ADJ
eurjchem-2099	69	6	acid	acid	NOUN
eurjchem-2099	69	7	:	:	PUNCT
eurjchem-2099	69	8	yield	yield	NOUN
eurjchem-2099	69	9	:	:	PUNCT
eurjchem-2099	69	10	75	75	NUM
eurjchem-2099	69	11	%	%	NOUN
eurjchem-2099	69	12	.	.	PUNCT
eurjchem-2099	70	1	m.p	m.p	PROPN
eurjchem-2099	70	2	.	.	PROPN
eurjchem-2099	70	3	:	:	PUNCT
eurjchem-2099	70	4	105107	105107	NUM
eurjchem-2099	71	1	°	°	SYM
eurjchem-2099	71	2	c	c	NOUN
eurjchem-2099	71	3	.	.	PUNCT
eurjchem-2099	71	4	ft	ft	PROPN
eurjchem-2099	71	5	-	-	PUNCT
eurjchem-2099	71	6	ir	ir	PROPN
eurjchem-2099	71	7	(	(	PUNCT
eurjchem-2099	71	8	kbr	kbr	PROPN
eurjchem-2099	71	9	,	,	PUNCT
eurjchem-2099	71	10	ν	ν	PROPN
eurjchem-2099	71	11	,	,	PUNCT
eurjchem-2099	71	12	cm-1	cm-1	NUM
eurjchem-2099	71	13	):	):	PUNCT
eurjchem-2099	71	14	1730	1730	NUM
eurjchem-2099	71	15	-	-	SYM
eurjchem-2099	71	16	1760	1760	NUM
eurjchem-2099	71	17	(	(	PUNCT
eurjchem-2099	71	18	c	c	NOUN
eurjchem-2099	71	19	=	=	NOUN
eurjchem-2099	71	20	o	o	NOUN
eurjchem-2099	71	21	)	)	PUNCT
eurjchem-2099	71	22	,	,	PUNCT
eurjchem-2099	71	23	1245	1245	NUM
eurjchem-2099	71	24	-	-	SYM
eurjchem-2099	71	25	1255	1255	NUM
eurjchem-2099	71	26	(	(	PUNCT
eurjchem-2099	71	27	aro	aro	NOUN
eurjchem-2099	71	28	-	-	PUNCT
eurjchem-2099	71	29	c	c	NOUN
eurjchem-2099	71	30	)	)	PUNCT
eurjchem-2099	71	31	,	,	PUNCT
eurjchem-2099	71	32	3350	3350	NUM
eurjchem-2099	71	33	-	-	SYM
eurjchem-2099	71	34	3375	3375	NUM
eurjchem-2099	71	35	(	(	PUNCT
eurjchem-2099	71	36	oh	oh	INTJ
eurjchem-2099	71	37	)	)	PUNCT
eurjchem-2099	71	38	.	.	PUNCT
eurjchem-2099	72	1	1h	1h	NUM
eurjchem-2099	72	2	nmr	nmr	NOUN
eurjchem-2099	72	3	(	(	PUNCT
eurjchem-2099	72	4	400	400	NUM
eurjchem-2099	72	5	mhz	mhz	NOUN
eurjchem-2099	72	6	,	,	PUNCT
eurjchem-2099	72	7	dmso	dmso	NOUN
eurjchem-2099	72	8	-	-	NOUN
eurjchem-2099	72	9	d6	d6	NOUN
eurjchem-2099	72	10	,	,	PUNCT
eurjchem-2099	72	11	δ	δ	PROPN
eurjchem-2099	72	12	,	,	PUNCT
eurjchem-2099	72	13	ppm	ppm	NUM
eurjchem-2099	72	14	):	):	PUNCT
eurjchem-2099	72	15	4.67	4.67	NUM
eurjchem-2099	72	16	(	(	PUNCT
eurjchem-2099	72	17	s	s	PROPN
eurjchem-2099	72	18	,	,	PUNCT
eurjchem-2099	72	19	2h	2h	NUM
eurjchem-2099	72	20	,	,	PUNCT
eurjchem-2099	72	21	och2	och2	PROPN
eurjchem-2099	72	22	)	)	PUNCT
eurjchem-2099	72	23	,	,	PUNCT
eurjchem-2099	72	24	6.55	6.55	NUM
eurjchem-2099	72	25	-	-	SYM
eurjchem-2099	72	26	7.55	7.55	NUM
eurjchem-2099	72	27	(	(	PUNCT
eurjchem-2099	72	28	d	d	PROPN
eurjchem-2099	72	29	,	,	PUNCT
eurjchem-2099	72	30	4h	4h	NOUN
eurjchem-2099	72	31	,	,	PUNCT
eurjchem-2099	72	32	ar	ar	NOUN
eurjchem-2099	72	33	-	-	NOUN
eurjchem-2099	72	34	h	h	NOUN
eurjchem-2099	72	35	)	)	PUNCT
eurjchem-2099	72	36	,	,	PUNCT
eurjchem-2099	72	37	13.03	13.03	NUM
eurjchem-2099	72	38	(	(	PUNCT
eurjchem-2099	72	39	bs	bs	PROPN
eurjchem-2099	72	40	,	,	PUNCT
eurjchem-2099	72	41	1h	1h	NUM
eurjchem-2099	72	42	,	,	PUNCT
eurjchem-2099	72	43	oh	oh	INTJ
eurjchem-2099	72	44	)	)	PUNCT
eurjchem-2099	72	45	.	.	PUNCT
eurjchem-2099	73	1	lc	lc	PROPN
eurjchem-2099	73	2	-	-	PUNCT
eurjchem-2099	73	3	ms	ms	NOUN
eurjchem-2099	73	4	(	(	PUNCT
eurjchem-2099	73	5	m	m	PROPN
eurjchem-2099	73	6	/	/	SYM
eurjchem-2099	73	7	z	z	NOUN
eurjchem-2099	73	8	):	):	PUNCT
eurjchem-2099	73	9	171	171	NUM
eurjchem-2099	74	1	[	[	X
eurjchem-2099	74	2	m+1	m+1	X
eurjchem-2099	74	3	]	]	PUNCT
eurjchem-2099	74	4	.	.	PUNCT
eurjchem-2099	75	1	anal	anal	PROPN
eurjchem-2099	75	2	.	.	PUNCT
eurjchem-2099	75	3	calcd	calcd	NOUN
eurjchem-2099	75	4	.	.	PUNCT
eurjchem-2099	76	1	for	for	SCONJ
eurjchem-2099	76	2	c8h7fo3	c8h7fo3	NOUN
eurjchem-2099	76	3	:	:	PUNCT
eurjchem-2099	76	4	c	c	NOUN
eurjchem-2099	76	5	,	,	PUNCT
eurjchem-2099	76	6	56.46	56.46	NUM
eurjchem-2099	76	7	;	;	PUNCT
eurjchem-2099	76	8	h	h	NOUN
eurjchem-2099	76	9	,	,	PUNCT
eurjchem-2099	76	10	4.14	4.14	NUM
eurjchem-2099	76	11	.	.	PUNCT
eurjchem-2099	76	12	found	find	VERB
eurjchem-2099	76	13	:	:	PUNCT
eurjchem-2099	77	1	c	c	X
eurjchem-2099	77	2	,	,	PUNCT
eurjchem-2099	77	3	56.38	56.38	NUM
eurjchem-2099	77	4	;	;	PUNCT
eurjchem-2099	77	5	h	h	NOUN
eurjchem-2099	77	6	,	,	PUNCT
eurjchem-2099	77	7	4.08	4.08	NUM
eurjchem-2099	77	8	%	%	NOUN
eurjchem-2099	77	9	.	.	PUNCT
eurjchem-2099	78	1	2.3	2.3	NUM
eurjchem-2099	78	2	.	.	PUNCT
eurjchem-2099	79	1	x	x	X
eurjchem-2099	79	2	-	-	PUNCT
eurjchem-2099	79	3	ray	ray	NOUN
eurjchem-2099	79	4	diffraction	diffraction	NOUN
eurjchem-2099	79	5	analysis	analysis	NOUN
eurjchem-2099	79	6	single	single	ADJ
eurjchem-2099	79	7	crystal	crystal	NOUN
eurjchem-2099	79	8	x	x	PROPN
eurjchem-2099	79	9	-	-	NOUN
eurjchem-2099	79	10	ray	ray	NOUN
eurjchem-2099	79	11	diffraction	diffraction	NOUN
eurjchem-2099	79	12	study	study	NOUN
eurjchem-2099	79	13	was	be	AUX
eurjchem-2099	79	14	carried	carry	VERB
eurjchem-2099	79	15	out	out	ADP
eurjchem-2099	79	16	to	to	PART
eurjchem-2099	79	17	determine	determine	VERB
eurjchem-2099	79	18	the	the	DET
eurjchem-2099	79	19	unit	unit	NOUN
eurjchem-2099	79	20	cell	cell	NOUN
eurjchem-2099	79	21	parameters	parameter	NOUN
eurjchem-2099	79	22	.	.	PUNCT
eurjchem-2099	80	1	a	a	DET
eurjchem-2099	80	2	colorless	colorless	ADJ
eurjchem-2099	80	3	single	single	ADJ
eurjchem-2099	80	4	crystal	crystal	NOUN
eurjchem-2099	80	5	of	of	ADP
eurjchem-2099	80	6	the	the	DET
eurjchem-2099	80	7	title	title	NOUN
eurjchem-2099	80	8	compound	compound	NOUN
eurjchem-2099	80	9	with	with	ADP
eurjchem-2099	80	10	appropriate	appropriate	ADJ
eurjchem-2099	80	11	dimension	dimension	NOUN
eurjchem-2099	80	12	0.22×0.21×	0.22×0.21×	NOUN
eurjchem-2099	80	13	0.20	0.20	NUM
eurjchem-2099	80	14	mm	mm	NOUN
eurjchem-2099	80	15	was	be	AUX
eurjchem-2099	80	16	used	use	VERB
eurjchem-2099	80	17	to	to	PART
eurjchem-2099	80	18	study	study	VERB
eurjchem-2099	80	19	the	the	DET
eurjchem-2099	80	20	x	x	NOUN
eurjchem-2099	80	21	-	-	NOUN
eurjchem-2099	80	22	ray	ray	NOUN
eurjchem-2099	80	23	diffraction	diffraction	NOUN
eurjchem-2099	80	24	.	.	PUNCT
eurjchem-2099	81	1	xrd	xrd	PROPN
eurjchem-2099	81	2	analysis	analysis	NOUN
eurjchem-2099	81	3	reveals	reveal	VERB
eurjchem-2099	81	4	that	that	SCONJ
eurjchem-2099	81	5	the	the	DET
eurjchem-2099	81	6	title	title	NOUN
eurjchem-2099	81	7	compound	compound	NOUN
eurjchem-2099	81	8	c6h7o3f	c6h7o3f	PUNCT
eurjchem-2099	81	9	crystallizes	crystallize	VERB
eurjchem-2099	81	10	in	in	ADP
eurjchem-2099	81	11	the	the	DET
eurjchem-2099	81	12	monoclinic	monoclinic	ADJ
eurjchem-2099	81	13	crystal	crystal	NOUN
eurjchem-2099	81	14	system	system	NOUN
eurjchem-2099	81	15	with	with	ADP
eurjchem-2099	81	16	the	the	DET
eurjchem-2099	81	17	space	space	NOUN
eurjchem-2099	81	18	group	group	NOUN
eurjchem-2099	81	19	p21	p21	PROPN
eurjchem-2099	81	20	/	/	SYM
eurjchem-2099	81	21	c.	c.	PROPN
eurjchem-2099	81	22	the	the	DET
eurjchem-2099	81	23	reflections	reflection	NOUN
eurjchem-2099	81	24	were	be	AUX
eurjchem-2099	81	25	collected	collect	VERB
eurjchem-2099	81	26	on	on	ADP
eurjchem-2099	81	27	a	a	DET
eurjchem-2099	81	28	rigaku	rigaku	NOUN
eurjchem-2099	81	29	xtalab	xtalab	NOUN
eurjchem-2099	82	1	mini	mini	ADJ
eurjchem-2099	82	2	diffractometer	diffractometer	NOUN
eurjchem-2099	82	3	equipped	equip	VERB
eurjchem-2099	82	4	with	with	ADP
eurjchem-2099	82	5	cukα	cukα	ADJ
eurjchem-2099	82	6	radiation	radiation	NOUN
eurjchem-2099	82	7	with	with	ADP
eurjchem-2099	82	8	the	the	DET
eurjchem-2099	82	9	wavelength	wavelength	NOUN
eurjchem-2099	82	10	1.54178	1.54178	NUM
eurjchem-2099	82	11	aå	aå	ADV
eurjchem-2099	82	12	.	.	PUNCT
eurjchem-2099	83	1	the	the	DET
eurjchem-2099	83	2	data	data	NOUN
eurjchem-2099	83	3	reductions	reduction	NOUN
eurjchem-2099	83	4	of	of	ADP
eurjchem-2099	83	5	all	all	DET
eurjchem-2099	83	6	measured	measure	VERB
eurjchem-2099	83	7	reflections	reflection	NOUN
eurjchem-2099	83	8	were	be	AUX
eurjchem-2099	83	9	carried	carry	VERB
eurjchem-2099	83	10	out	out	ADP
eurjchem-2099	83	11	using	use	VERB
eurjchem-2099	83	12	the	the	DET
eurjchem-2099	83	13	crystalclear	crystalclear	ADJ
eurjchem-2099	83	14	software	software	NOUN
eurjchem-2099	83	15	[	[	X
eurjchem-2099	83	16	33	33	NUM
eurjchem-2099	83	17	]	]	PUNCT
eurjchem-2099	83	18	.	.	PUNCT
eurjchem-2099	84	1	crystal	crystal	NOUN
eurjchem-2099	84	2	structure	structure	NOUN
eurjchem-2099	84	3	was	be	AUX
eurjchem-2099	84	4	solved	solve	VERB
eurjchem-2099	84	5	by	by	ADP
eurjchem-2099	84	6	direct	direct	ADJ
eurjchem-2099	84	7	method	method	NOUN
eurjchem-2099	84	8	using	use	VERB
eurjchem-2099	84	9	shelxs-97	shelxs-97	PROPN
eurjchem-2099	84	10	and	and	CCONJ
eurjchem-2099	84	11	refined	refine	VERB
eurjchem-2099	84	12	by	by	ADP
eurjchem-2099	84	13	full	full	ADJ
eurjchem-2099	84	14	-	-	PUNCT
eurjchem-2099	84	15	matrix	matrix	NOUN
eurjchem-2099	84	16	least	least	ADJ
eurjchem-2099	84	17	squares	square	NOUN
eurjchem-2099	84	18	on	on	ADP
eurjchem-2099	84	19	f2	f2	PROPN
eurjchem-2099	84	20	using	use	VERB
eurjchem-2099	84	21	shelxl-97	shelxl-97	PROPN
eurjchem-2099	84	22	[	[	X
eurjchem-2099	84	23	34	34	NUM
eurjchem-2099	84	24	]	]	PUNCT
eurjchem-2099	84	25	.	.	PUNCT
eurjchem-2099	85	1	the	the	DET
eurjchem-2099	85	2	positions	position	NOUN
eurjchem-2099	85	3	of	of	ADP
eurjchem-2099	85	4	the	the	DET
eurjchem-2099	85	5	hydrogen	hydrogen	NOUN
eurjchem-2099	85	6	atoms	atom	NOUN
eurjchem-2099	85	7	attached	attach	VERB
eurjchem-2099	85	8	to	to	ADP
eurjchem-2099	85	9	the	the	DET
eurjchem-2099	85	10	carbon	carbon	NOUN
eurjchem-2099	85	11	atoms	atom	NOUN
eurjchem-2099	85	12	were	be	AUX
eurjchem-2099	85	13	generated	generate	VERB
eurjchem-2099	85	14	geometrically	geometrically	ADV
eurjchem-2099	85	15	.	.	PUNCT
eurjchem-2099	86	1	hydrogen	hydrogen	NOUN
eurjchem-2099	86	2	atoms	atom	NOUN
eurjchem-2099	86	3	are	be	AUX
eurjchem-2099	86	4	allowed	allow	VERB
eurjchem-2099	86	5	to	to	PART
eurjchem-2099	86	6	ride	ride	VERB
eurjchem-2099	86	7	on	on	ADP
eurjchem-2099	86	8	their	their	PRON
eurjchem-2099	86	9	parent	parent	NOUN
eurjchem-2099	86	10	atoms	atom	NOUN
eurjchem-2099	86	11	.	.	PUNCT
eurjchem-2099	87	1	all	all	DET
eurjchem-2099	87	2	non	non	ADJ
eurjchem-2099	87	3	-	-	ADJ
eurjchem-2099	87	4	h	h	ADJ
eurjchem-2099	87	5	atoms	atom	NOUN
eurjchem-2099	87	6	were	be	AUX
eurjchem-2099	87	7	refined	refine	VERB
eurjchem-2099	87	8	anisotropically	anisotropically	ADV
eurjchem-2099	87	9	.	.	PUNCT
eurjchem-2099	88	1	a	a	DET
eurjchem-2099	88	2	total	total	NOUN
eurjchem-2099	88	3	of	of	ADP
eurjchem-2099	88	4	110	110	NUM
eurjchem-2099	88	5	parameters	parameter	NOUN
eurjchem-2099	88	6	were	be	AUX
eurjchem-2099	88	7	refined	refine	VERB
eurjchem-2099	88	8	with	with	ADP
eurjchem-2099	88	9	1246	1246	NUM
eurjchem-2099	88	10	unique	unique	ADJ
eurjchem-2099	88	11	reflections	reflection	NOUN
eurjchem-2099	88	12	.	.	PUNCT
eurjchem-2099	89	1	the	the	DET
eurjchem-2099	89	2	residual	residual	ADJ
eurjchem-2099	89	3	factor	factor	NOUN
eurjchem-2099	89	4	r	r	NOUN
eurjchem-2099	89	5	converged	converge	VERB
eurjchem-2099	89	6	to	to	ADP
eurjchem-2099	89	7	0.0458	0.0458	NUM
eurjchem-2099	89	8	and	and	CCONJ
eurjchem-2099	89	9	the	the	DET
eurjchem-2099	89	10	wr2	wr2	PROPN
eurjchem-2099	89	11	was	be	AUX
eurjchem-2099	89	12	0.1313	0.1313	NUM
eurjchem-2099	89	13	for	for	ADP
eurjchem-2099	89	14	all	all	DET
eurjchem-2099	89	15	data	datum	NOUN
eurjchem-2099	89	16	.	.	PUNCT
eurjchem-2099	90	1	geometrical	geometrical	ADJ
eurjchem-2099	90	2	calculations	calculation	NOUN
eurjchem-2099	90	3	were	be	AUX
eurjchem-2099	90	4	performed	perform	VERB
eurjchem-2099	90	5	using	use	VERB
eurjchem-2099	90	6	platon	platon	NOUN
eurjchem-2099	90	7	[	[	X
eurjchem-2099	90	8	35	35	NUM
eurjchem-2099	90	9	]	]	PUNCT
eurjchem-2099	90	10	.	.	PUNCT
eurjchem-2099	91	1	the	the	DET
eurjchem-2099	91	2	ortep	ortep	NOUN
eurjchem-2099	91	3	of	of	ADP
eurjchem-2099	91	4	the	the	DET
eurjchem-2099	91	5	molecule	molecule	NOUN
eurjchem-2099	91	6	with	with	ADP
eurjchem-2099	91	7	thermal	thermal	ADJ
eurjchem-2099	91	8	ellipsoids	ellipsoid	NOUN
eurjchem-2099	91	9	drawn	draw	VERB
eurjchem-2099	91	10	at	at	ADP
eurjchem-2099	91	11	50	50	NUM
eurjchem-2099	91	12	%	%	NOUN
eurjchem-2099	91	13	probability	probability	NOUN
eurjchem-2099	91	14	is	be	AUX
eurjchem-2099	91	15	shown	show	VERB
eurjchem-2099	91	16	in	in	ADP
eurjchem-2099	91	17	figure	figure	NOUN
eurjchem-2099	91	18	2	2	NUM
eurjchem-2099	91	19	.	.	PUNCT
eurjchem-2099	92	1	the	the	DET
eurjchem-2099	92	2	molecular	molecular	ADJ
eurjchem-2099	92	3	and	and	CCONJ
eurjchem-2099	92	4	packing	packing	NOUN
eurjchem-2099	92	5	diagrams	diagram	NOUN
eurjchem-2099	92	6	were	be	AUX
eurjchem-2099	92	7	generated	generate	VERB
eurjchem-2099	92	8	using	use	VERB
eurjchem-2099	92	9	mercury	mercury	NOUN
eurjchem-2099	92	10	[	[	X
eurjchem-2099	92	11	36	36	NUM
eurjchem-2099	92	12	]	]	PUNCT
eurjchem-2099	92	13	.	.	PUNCT
eurjchem-2099	93	1	the	the	DET
eurjchem-2099	93	2	crystal	crystal	PROPN
eurjchem-2099	93	3	data	datum	NOUN
eurjchem-2099	93	4	was	be	AUX
eurjchem-2099	93	5	deposited	deposit	VERB
eurjchem-2099	93	6	at	at	ADP
eurjchem-2099	93	7	the	the	DET
eurjchem-2099	93	8	cambridge	cambridge	PROPN
eurjchem-2099	93	9	crystallographic	crystallographic	PROPN
eurjchem-2099	93	10	data	data	PROPN
eurjchem-2099	93	11	center	center	PROPN
eurjchem-2099	93	12	(	(	PUNCT
eurjchem-2099	93	13	ccdc	ccdc	PROPN
eurjchem-2099	93	14	)	)	PUNCT
eurjchem-2099	93	15	as	as	ADP
eurjchem-2099	93	16	deposition	deposition	NOUN
eurjchem-2099	93	17	number	number	NOUN
eurjchem-2099	93	18	1949545	1949545	NUM
eurjchem-2099	93	19	.	.	PUNCT
eurjchem-2099	94	1	3	3	X
eurjchem-2099	94	2	.	.	NOUN
eurjchem-2099	94	3	results	result	NOUN
eurjchem-2099	94	4	and	and	CCONJ
eurjchem-2099	94	5	discussions	discussion	NOUN
eurjchem-2099	94	6	3.1	3.1	NUM
eurjchem-2099	94	7	.	.	PUNCT
eurjchem-2099	95	1	crystal	crystal	NOUN
eurjchem-2099	95	2	structure	structure	NOUN
eurjchem-2099	95	3	description	description	NOUN
eurjchem-2099	95	4	the	the	DET
eurjchem-2099	95	5	title	title	NOUN
eurjchem-2099	95	6	compound	compound	NOUN
eurjchem-2099	95	7	crystallizes	crystallize	NOUN
eurjchem-2099	95	8	in	in	ADP
eurjchem-2099	95	9	the	the	DET
eurjchem-2099	95	10	monoclinic	monoclinic	ADJ
eurjchem-2099	95	11	crystal	crystal	NOUN
eurjchem-2099	95	12	system	system	NOUN
eurjchem-2099	95	13	with	with	ADP
eurjchem-2099	95	14	the	the	DET
eurjchem-2099	95	15	space	space	NOUN
eurjchem-2099	95	16	group	group	NOUN
eurjchem-2099	95	17	p21	p21	PROPN
eurjchem-2099	95	18	/	/	SYM
eurjchem-2099	95	19	c.	c.	PROPN
eurjchem-2099	95	20	306	306	NUM
eurjchem-2099	95	21	prabhuswamy	prabhuswamy	NOUN
eurjchem-2099	95	22	et	et	PROPN
eurjchem-2099	95	23	al	al	PROPN
eurjchem-2099	95	24	.	.	PUNCT
eurjchem-2099	95	25	/	/	SYM
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eurjchem-2099	95	30	12	12	NUM
eurjchem-2099	95	31	(	(	PUNCT
eurjchem-2099	95	32	3	3	NUM
eurjchem-2099	95	33	)	)	PUNCT
eurjchem-2099	95	34	(	(	PUNCT
eurjchem-2099	95	35	2021	2021	NUM
eurjchem-2099	95	36	)	)	PUNCT
eurjchem-2099	95	37	304	304	NUM
eurjchem-2099	95	38	-	-	SYM
eurjchem-2099	95	39	313	313	NUM
eurjchem-2099	95	40	2021	2021	NUM
eurjchem-2099	95	41	–	–	PUNCT
eurjchem-2099	95	42	european	european	ADJ
eurjchem-2099	95	43	journal	journal	NOUN
eurjchem-2099	95	44	of	of	ADP
eurjchem-2099	95	45	chemistry	chemistry	NOUN
eurjchem-2099	95	46	–	–	PUNCT
eurjchem-2099	95	47	cc	cc	NOUN
eurjchem-2099	95	48	by	by	ADP
eurjchem-2099	95	49	nc	nc	PROPN
eurjchem-2099	95	50	–	–	PUNCT
eurjchem-2099	95	51	doi	doi	PROPN
eurjchem-2099	95	52	:	:	PUNCT
eurjchem-2099	95	53	10.5155	10.5155	NUM
eurjchem-2099	95	54	/	/	SYM
eurjchem-2099	95	55	eurjchem.12.3.304	eurjchem.12.3.304	NOUN
eurjchem-2099	95	56	-	-	SYM
eurjchem-2099	95	57	313.2099	313.2099	NUM
eurjchem-2099	95	58	table	table	NOUN
eurjchem-2099	95	59	1	1	NUM
eurjchem-2099	95	60	.	.	PUNCT
eurjchem-2099	96	1	crystal	crystal	NOUN
eurjchem-2099	96	2	data	datum	NOUN
eurjchem-2099	96	3	and	and	CCONJ
eurjchem-2099	96	4	structure	structure	NOUN
eurjchem-2099	96	5	refinement	refinement	NOUN
eurjchem-2099	96	6	details	detail	NOUN
eurjchem-2099	96	7	.	.	PUNCT
eurjchem-2099	97	1	ccdc	ccdc	PROPN
eurjchem-2099	97	2	number	number	NOUN
eurjchem-2099	97	3	1949545	1949545	NUM
eurjchem-2099	97	4	empirical	empirical	ADJ
eurjchem-2099	97	5	formula	formula	NOUN
eurjchem-2099	97	6	c8h7fo3	c8h7fo3	PUNCT
eurjchem-2099	97	7	formula	formula	NOUN
eurjchem-2099	97	8	weight	weight	NOUN
eurjchem-2099	97	9	170.14	170.14	NUM
eurjchem-2099	97	10	temperature	temperature	NOUN
eurjchem-2099	97	11	(	(	PUNCT
eurjchem-2099	97	12	k	k	NOUN
eurjchem-2099	97	13	)	)	PUNCT
eurjchem-2099	97	14	293(2	293(2	NUM
eurjchem-2099	97	15	)	)	PUNCT
eurjchem-2099	97	16	crystal	crystal	NOUN
eurjchem-2099	97	17	system	system	NOUN
eurjchem-2099	97	18	monoclinic	monoclinic	ADJ
eurjchem-2099	97	19	space	space	NOUN
eurjchem-2099	97	20	group	group	NOUN
eurjchem-2099	97	21	p21	p21	PROPN
eurjchem-2099	97	22	/	/	SYM
eurjchem-2099	97	23	c	c	PROPN
eurjchem-2099	97	24	a	a	DET
eurjchem-2099	97	25	(	(	PUNCT
eurjchem-2099	97	26	å	å	NOUN
eurjchem-2099	97	27	)	)	PUNCT
eurjchem-2099	97	28	13.3087(17	13.3087(17	NUM
eurjchem-2099	97	29	)	)	PUNCT
eurjchem-2099	97	30	b	b	NOUN
eurjchem-2099	97	31	(	(	PUNCT
eurjchem-2099	97	32	å	å	NOUN
eurjchem-2099	97	33	)	)	PUNCT
eurjchem-2099	97	34	4.9912(6	4.9912(6	NUM
eurjchem-2099	97	35	)	)	PUNCT
eurjchem-2099	97	36	c	c	NOUN
eurjchem-2099	97	37	(	(	PUNCT
eurjchem-2099	97	38	å	å	NOUN
eurjchem-2099	97	39	)	)	PUNCT
eurjchem-2099	97	40	11.6018(15	11.6018(15	NUM
eurjchem-2099	97	41	)	)	PUNCT
eurjchem-2099	97	42	β	β	X
eurjchem-2099	97	43	(	(	PUNCT
eurjchem-2099	97	44	°	°	NOUN
eurjchem-2099	97	45	)	)	PUNCT
eurjchem-2099	97	46	104.171(4	104.171(4	NUM
eurjchem-2099	97	47	)	)	PUNCT
eurjchem-2099	97	48	volume	volume	NOUN
eurjchem-2099	97	49	(	(	PUNCT
eurjchem-2099	97	50	å3	å3	PROPN
eurjchem-2099	97	51	)	)	PUNCT
eurjchem-2099	97	52	747.21(16	747.21(16	NUM
eurjchem-2099	97	53	)	)	PUNCT
eurjchem-2099	97	54	z	z	NOUN
eurjchem-2099	97	55	4	4	NUM
eurjchem-2099	97	56	ρcalc	ρcalc	NOUN
eurjchem-2099	97	57	(	(	PUNCT
eurjchem-2099	97	58	g	g	NOUN
eurjchem-2099	97	59	/	/	SYM
eurjchem-2099	97	60	cm3	cm3	NOUN
eurjchem-2099	97	61	)	)	PUNCT
eurjchem-2099	97	62	1.512	1.512	NUM
eurjchem-2099	97	63	μ	μ	NOUN
eurjchem-2099	97	64	(	(	PUNCT
eurjchem-2099	97	65	mm-1	mm-1	NOUN
eurjchem-2099	97	66	)	)	PUNCT
eurjchem-2099	97	67	1.142	1.142	NUM
eurjchem-2099	97	68	f(000	f(000	NOUN
eurjchem-2099	97	69	)	)	PUNCT
eurjchem-2099	97	70	352.0	352.0	NUM
eurjchem-2099	97	71	crystal	crystal	NOUN
eurjchem-2099	97	72	size	size	NOUN
eurjchem-2099	97	73	(	(	PUNCT
eurjchem-2099	97	74	mm3	mm3	NOUN
eurjchem-2099	97	75	)	)	PUNCT
eurjchem-2099	97	76	0.22	0.22	NUM
eurjchem-2099	97	77	×	×	NOUN
eurjchem-2099	97	78	0.21	0.21	NUM
eurjchem-2099	97	79	×	×	NOUN
eurjchem-2099	97	80	0.20	0.20	NUM
eurjchem-2099	97	81	radiation	radiation	NOUN
eurjchem-2099	97	82	cukα	cukα	NOUN
eurjchem-2099	97	83	(	(	PUNCT
eurjchem-2099	97	84	λ	λ	X
eurjchem-2099	97	85	=	=	NOUN
eurjchem-2099	97	86	1.54178	1.54178	NUM
eurjchem-2099	97	87	)	)	PUNCT
eurjchem-2099	97	88	2θ	2θ	NUM
eurjchem-2099	97	89	range	range	VERB
eurjchem-2099	97	90	for	for	ADP
eurjchem-2099	97	91	data	data	NOUN
eurjchem-2099	97	92	collection	collection	NOUN
eurjchem-2099	97	93	(	(	PUNCT
eurjchem-2099	97	94	°	°	PROPN
eurjchem-2099	97	95	)	)	PUNCT
eurjchem-2099	97	96	13.72	13.72	NUM
eurjchem-2099	97	97	to	to	ADP
eurjchem-2099	97	98	130.62	130.62	NUM
eurjchem-2099	97	99	index	index	NOUN
eurjchem-2099	97	100	ranges	range	VERB
eurjchem-2099	97	101	-15	-15	PUNCT
eurjchem-2099	97	102	≤	≤	NUM
eurjchem-2099	97	103	h	h	NOUN
eurjchem-2099	97	104	≤	≤	NOUN
eurjchem-2099	97	105	15	15	NUM
eurjchem-2099	97	106	,	,	PUNCT
eurjchem-2099	97	107	-5	-5	PUNCT
eurjchem-2099	97	108	≤	≤	NUM
eurjchem-2099	98	1	k	k	X
eurjchem-2099	98	2	≤	≤	NUM
eurjchem-2099	98	3	5	5	NUM
eurjchem-2099	98	4	,	,	PUNCT
eurjchem-2099	98	5	-13	-13	PUNCT
eurjchem-2099	98	6	≤	≤	NUM
eurjchem-2099	98	7	l	l	NOUN
eurjchem-2099	98	8	≤	≤	NUM
eurjchem-2099	98	9	13	13	NUM
eurjchem-2099	98	10	reflections	reflection	NOUN
eurjchem-2099	98	11	collected	collect	VERB
eurjchem-2099	98	12	8759	8759	NUM
eurjchem-2099	98	13	independent	independent	ADJ
eurjchem-2099	98	14	reflections	reflection	NOUN
eurjchem-2099	98	15	1246	1246	NUM
eurjchem-2099	99	1	[	[	X
eurjchem-2099	99	2	rint	rint	NOUN
eurjchem-2099	99	3	=	=	SYM
eurjchem-2099	99	4	0.0528	0.0528	NUM
eurjchem-2099	99	5	]	]	X
eurjchem-2099	99	6	data	data	NOUN
eurjchem-2099	99	7	/	/	SYM
eurjchem-2099	99	8	restraints	restraint	NOUN
eurjchem-2099	99	9	/	/	SYM
eurjchem-2099	99	10	parameters	parameter	NOUN
eurjchem-2099	99	11	1246/0/110	1246/0/110	NUM
eurjchem-2099	99	12	goodness	goodness	NOUN
eurjchem-2099	99	13	-	-	PUNCT
eurjchem-2099	99	14	of	of	ADP
eurjchem-2099	99	15	-	-	PUNCT
eurjchem-2099	99	16	fit	fit	NOUN
eurjchem-2099	99	17	on	on	ADP
eurjchem-2099	99	18	f2	f2	PROPN
eurjchem-2099	99	19	1.108	1.108	NUM
eurjchem-2099	99	20	final	final	ADJ
eurjchem-2099	99	21	r	r	NOUN
eurjchem-2099	99	22	indexes	index	NOUN
eurjchem-2099	99	23	[	[	X
eurjchem-2099	99	24	i≥2σ	i≥2σ	X
eurjchem-2099	99	25	(	(	PUNCT
eurjchem-2099	99	26	i	i	NOUN
eurjchem-2099	99	27	)	)	PUNCT
eurjchem-2099	99	28	]	]	PUNCT
eurjchem-2099	100	1	r1	r1	NOUN
eurjchem-2099	100	2	=	=	PUNCT
eurjchem-2099	100	3	0.0458	0.0458	NUM
eurjchem-2099	100	4	,	,	PUNCT
eurjchem-2099	100	5	wr2	wr2	PROPN
eurjchem-2099	100	6	=	=	PROPN
eurjchem-2099	100	7	0.1295	0.1295	NUM
eurjchem-2099	100	8	final	final	ADJ
eurjchem-2099	100	9	r	r	NOUN
eurjchem-2099	100	10	indexes	index	NOUN
eurjchem-2099	100	11	[	[	X
eurjchem-2099	100	12	all	all	DET
eurjchem-2099	100	13	data	datum	NOUN
eurjchem-2099	100	14	]	]	PUNCT
eurjchem-2099	100	15	r1	r1	NOUN
eurjchem-2099	100	16	=	=	PUNCT
eurjchem-2099	100	17	0.0472	0.0472	NUM
eurjchem-2099	100	18	,	,	PUNCT
eurjchem-2099	100	19	wr2	wr2	PROPN
eurjchem-2099	100	20	=	=	PROPN
eurjchem-2099	100	21	0.1313	0.1313	NUM
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eurjchem-2099	100	23	diff	diff	NOUN
eurjchem-2099	100	24	.	.	PUNCT
eurjchem-2099	100	25	peak	peak	PROPN
eurjchem-2099	100	26	/	/	SYM
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eurjchem-2099	100	28	(	(	PUNCT
eurjchem-2099	100	29	e	e	NOUN
eurjchem-2099	100	30	å-3	å-3	NUM
eurjchem-2099	100	31	)	)	PUNCT
eurjchem-2099	100	32	0.30/-0.27	0.30/-0.27	PROPN
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eurjchem-2099	100	35	.	.	X
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eurjchem-2099	100	41	.	.	PUNCT
eurjchem-2099	101	1	d	d	X
eurjchem-2099	101	2	-	-	PUNCT
eurjchem-2099	101	3	h	h	NOUN
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eurjchem-2099	101	5	a	a	DET
eurjchem-2099	101	6	d	d	NOUN
eurjchem-2099	101	7	-	-	NOUN
eurjchem-2099	101	8	h	h	NOUN
eurjchem-2099	101	9	(	(	PUNCT
eurjchem-2099	101	10	å	å	NOUN
eurjchem-2099	101	11	)	)	PUNCT
eurjchem-2099	101	12	h···a	h···a	PROPN
eurjchem-2099	101	13	(	(	PUNCT
eurjchem-2099	101	14	å	å	NOUN
eurjchem-2099	101	15	)	)	PUNCT
eurjchem-2099	101	16	d···a	d···a	NOUN
eurjchem-2099	101	17	(	(	PUNCT
eurjchem-2099	101	18	å	å	NOUN
eurjchem-2099	101	19	)	)	PUNCT
eurjchem-2099	101	20	d	d	NOUN
eurjchem-2099	101	21	-	-	PUNCT
eurjchem-2099	101	22	h···a	h···a	PROPN
eurjchem-2099	101	23	(	(	PUNCT
eurjchem-2099	101	24	°	°	PROPN
eurjchem-2099	101	25	)	)	PUNCT
eurjchem-2099	101	26	c12	c12	PROPN
eurjchem-2099	101	27	-	-	PUNCT
eurjchem-2099	101	28	h12···o11i	h12···o11i	PROPN
eurjchem-2099	101	29	0.82	0.82	NUM
eurjchem-2099	101	30	1.82	1.82	NUM
eurjchem-2099	101	31	2.636(1	2.636(1	NUM
eurjchem-2099	101	32	)	)	PUNCT
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eurjchem-2099	101	34	c9	c9	NOUN
eurjchem-2099	101	35	-	-	PUNCT
eurjchem-2099	101	36	h9b···o11ii	h9b···o11ii	NOUN
eurjchem-2099	101	37	0.97	0.97	NUM
eurjchem-2099	101	38	2.42	2.42	NUM
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eurjchem-2099	101	40	)	)	PUNCT
eurjchem-2099	101	41	144	144	NUM
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eurjchem-2099	101	43	codes	code	NOUN
eurjchem-2099	101	44	:	:	PUNCT
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eurjchem-2099	101	46	=	=	PUNCT
eurjchem-2099	101	47	2	2	NUM
eurjchem-2099	101	48	-	-	PUNCT
eurjchem-2099	101	49	x	x	NOUN
eurjchem-2099	101	50	,	,	PUNCT
eurjchem-2099	101	51	-1	-1	ADJ
eurjchem-2099	101	52	-	-	SYM
eurjchem-2099	101	53	y	y	PROPN
eurjchem-2099	101	54	,	,	PUNCT
eurjchem-2099	101	55	-z	-z	PROPN
eurjchem-2099	101	56	;	;	PUNCT
eurjchem-2099	101	57	ii	ii	NOUN
eurjchem-2099	101	58	=	=	SYM
eurjchem-2099	101	59	2	2	NUM
eurjchem-2099	101	60	-	-	SYM
eurjchem-2099	101	61	x	x	NOUN
eurjchem-2099	101	62	,	,	PUNCT
eurjchem-2099	101	63	1/2+y	1/2+y	NUM
eurjchem-2099	101	64	,	,	PUNCT
eurjchem-2099	101	65	1/2	1/2	NUM
eurjchem-2099	101	66	-	-	PUNCT
eurjchem-2099	101	67	z.	z.	PROPN
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eurjchem-2099	101	77	b	b	NOUN
eurjchem-2099	101	78	axis	axis	NOUN
eurjchem-2099	101	79	.	.	PUNCT
eurjchem-2099	102	1	the	the	DET
eurjchem-2099	102	2	unit	unit	NOUN
eurjchem-2099	102	3	cell	cell	NOUN
eurjchem-2099	102	4	parameters	parameter	NOUN
eurjchem-2099	102	5	are	be	AUX
eurjchem-2099	102	6	a	a	DET
eurjchem-2099	102	7	=	=	SYM
eurjchem-2099	102	8	13.3087(17	13.3087(17	NUM
eurjchem-2099	102	9	)	)	PUNCT
eurjchem-2099	102	10	aå	aå	ADP
eurjchem-2099	102	11	,	,	PUNCT
eurjchem-2099	102	12	b	b	NOUN
eurjchem-2099	102	13	=	=	SYM
eurjchem-2099	102	14	4.9912(6	4.9912(6	NUM
eurjchem-2099	102	15	)	)	PUNCT
eurjchem-2099	102	16	aå	aå	ADV
eurjchem-2099	102	17	,	,	PUNCT
eurjchem-2099	102	18	c	c	PROPN
eurjchem-2099	102	19	=	=	NOUN
eurjchem-2099	102	20	11.6018(15	11.6018(15	NUM
eurjchem-2099	102	21	)	)	PUNCT
eurjchem-2099	102	22	aå	aå	ADV
eurjchem-2099	102	23	,	,	PUNCT
eurjchem-2099	102	24	and	and	CCONJ
eurjchem-2099	102	25	β	β	X
eurjchem-2099	102	26	=	=	SYM
eurjchem-2099	102	27	104.171(4)	104.171(4)	NUM
eurjchem-2099	102	28	°	°	PROPN
eurjchem-2099	102	29	.	.	PUNCT
eurjchem-2099	103	1	crystal	crystal	NOUN
eurjchem-2099	103	2	data	datum	NOUN
eurjchem-2099	103	3	and	and	CCONJ
eurjchem-2099	103	4	structure	structure	NOUN
eurjchem-2099	103	5	refinement	refinement	NOUN
eurjchem-2099	103	6	details	detail	NOUN
eurjchem-2099	103	7	are	be	AUX
eurjchem-2099	103	8	listed	list	VERB
eurjchem-2099	103	9	in	in	ADP
eurjchem-2099	103	10	table	table	NOUN
eurjchem-2099	103	11	1	1	NUM
eurjchem-2099	103	12	.	.	PUNCT
eurjchem-2099	104	1	the	the	DET
eurjchem-2099	104	2	values	value	NOUN
eurjchem-2099	104	3	of	of	ADP
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eurjchem-2099	104	5	length	length	NOUN
eurjchem-2099	104	6	,	,	PUNCT
eurjchem-2099	104	7	bond	bond	NOUN
eurjchem-2099	104	8	angle	angle	NOUN
eurjchem-2099	104	9	,	,	PUNCT
eurjchem-2099	104	10	and	and	CCONJ
eurjchem-2099	104	11	torsion	torsion	NOUN
eurjchem-2099	104	12	angles	angle	NOUN
eurjchem-2099	104	13	obtained	obtain	VERB
eurjchem-2099	104	14	by	by	ADP
eurjchem-2099	104	15	the	the	DET
eurjchem-2099	104	16	x	x	PROPN
eurjchem-2099	104	17	-	-	NOUN
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eurjchem-2099	104	19	diffraction	diffraction	NOUN
eurjchem-2099	104	20	studies	study	NOUN
eurjchem-2099	104	21	are	be	AUX
eurjchem-2099	104	22	given	give	VERB
eurjchem-2099	104	23	in	in	ADP
eurjchem-2099	104	24	the	the	DET
eurjchem-2099	104	25	cif	cif	PROPN
eurjchem-2099	104	26	file	file	NOUN
eurjchem-2099	104	27	.	.	PUNCT
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eurjchem-2099	105	6	hexagonal	hexagonal	ADJ
eurjchem-2099	105	7	ring	ring	NOUN
eurjchem-2099	105	8	(	(	PUNCT
eurjchem-2099	105	9	c2	c2	PROPN
eurjchem-2099	105	10	-	-	PUNCT
eurjchem-2099	105	11	c3	c3	PROPN
eurjchem-2099	105	12	-	-	PUNCT
eurjchem-2099	105	13	c4	c4	NOUN
eurjchem-2099	105	14	-	-	PUNCT
eurjchem-2099	105	15	c5c6	c5c6	NOUN
eurjchem-2099	105	16	-	-	PUNCT
eurjchem-2099	105	17	c7	c7	NOUN
eurjchem-2099	105	18	)	)	PUNCT
eurjchem-2099	105	19	that	that	PRON
eurjchem-2099	105	20	is	be	AUX
eurjchem-2099	105	21	planar	planar	ADJ
eurjchem-2099	105	22	with	with	ADP
eurjchem-2099	105	23	a	a	DET
eurjchem-2099	105	24	maximum	maximum	ADJ
eurjchem-2099	105	25	deviation	deviation	NOUN
eurjchem-2099	105	26	of	of	ADP
eurjchem-2099	105	27	0.007(2	0.007(2	NUM
eurjchem-2099	105	28	)	)	PUNCT
eurjchem-2099	105	29	aå	aå	ADP
eurjchem-2099	105	30	for	for	ADP
eurjchem-2099	105	31	c3	c3	PROPN
eurjchem-2099	105	32	atom	atom	NOUN
eurjchem-2099	105	33	from	from	ADP
eurjchem-2099	105	34	the	the	DET
eurjchem-2099	105	35	mean	mean	ADJ
eurjchem-2099	105	36	plane	plane	NOUN
eurjchem-2099	105	37	.	.	PUNCT
eurjchem-2099	106	1	the	the	DET
eurjchem-2099	106	2	six	six	NUM
eurjchem-2099	106	3	-	-	PUNCT
eurjchem-2099	106	4	membered	membere	VERB
eurjchem-2099	106	5	ring	ring	NOUN
eurjchem-2099	106	6	(	(	PUNCT
eurjchem-2099	106	7	c2c3	c2c3	NOUN
eurjchem-2099	106	8	-	-	PUNCT
eurjchem-2099	106	9	c4	c4	NOUN
eurjchem-2099	106	10	-	-	PUNCT
eurjchem-2099	106	11	c5	c5	PROPN
eurjchem-2099	106	12	-	-	PUNCT
eurjchem-2099	106	13	c6	c6	PROPN
eurjchem-2099	106	14	-	-	PUNCT
eurjchem-2099	106	15	c7	c7	PROPN
eurjchem-2099	106	16	)	)	PUNCT
eurjchem-2099	106	17	is	be	AUX
eurjchem-2099	106	18	sp2	sp2	NOUN
eurjchem-2099	106	19	hybridized	hybridize	VERB
eurjchem-2099	106	20	.	.	PUNCT
eurjchem-2099	107	1	the	the	DET
eurjchem-2099	107	2	crystal	crystal	NOUN
eurjchem-2099	107	3	structure	structure	NOUN
eurjchem-2099	107	4	exhibits	exhibit	VERB
eurjchem-2099	107	5	intermolecular	intermolecular	ADJ
eurjchem-2099	107	6	hydrogen	hydrogen	NOUN
eurjchem-2099	107	7	bonds	bond	NOUN
eurjchem-2099	107	8	of	of	ADP
eurjchem-2099	107	9	the	the	DET
eurjchem-2099	107	10	type	type	NOUN
eurjchem-2099	107	11	o	o	NOUN
eurjchem-2099	107	12	-	-	NOUN
eurjchem-2099	107	13	h···o	h···o	PROPN
eurjchem-2099	107	14	and	and	CCONJ
eurjchem-2099	107	15	c	c	NOUN
eurjchem-2099	107	16	-	-	PUNCT
eurjchem-2099	107	17	h···o	h···o	PROPN
eurjchem-2099	107	18	whose	whose	DET
eurjchem-2099	107	19	symmetry	symmetry	NOUN
eurjchem-2099	107	20	codes	code	NOUN
eurjchem-2099	107	21	are	be	AUX
eurjchem-2099	107	22	2	2	NUM
eurjchem-2099	107	23	-	-	PUNCT
eurjchem-2099	107	24	x	x	NOUN
eurjchem-2099	107	25	,	,	PUNCT
eurjchem-2099	107	26	-1	-1	PUNCT
eurjchem-2099	107	27	-	-	SYM
eurjchem-2099	107	28	y	y	PROPN
eurjchem-2099	107	29	,	,	PUNCT
eurjchem-2099	107	30	-z	-z	PROPN
eurjchem-2099	107	31	and	and	CCONJ
eurjchem-2099	107	32	2	2	NUM
eurjchem-2099	107	33	-	-	SYM
eurjchem-2099	107	34	x	x	NOUN
eurjchem-2099	107	35	,	,	PUNCT
eurjchem-2099	107	36	1/2+y	1/2+y	NUM
eurjchem-2099	107	37	,	,	PUNCT
eurjchem-2099	107	38	1/2	1/2	NUM
eurjchem-2099	107	39	-	-	PUNCT
eurjchem-2099	107	40	z	z	NOUN
eurjchem-2099	107	41	,	,	PUNCT
eurjchem-2099	107	42	respectively	respectively	ADV
eurjchem-2099	107	43	.	.	PUNCT
eurjchem-2099	108	1	in	in	ADP
eurjchem-2099	108	2	the	the	DET
eurjchem-2099	108	3	structure	structure	NOUN
eurjchem-2099	108	4	,	,	PUNCT
eurjchem-2099	108	5	the	the	DET
eurjchem-2099	108	6	c5	c5	PROPN
eurjchem-2099	108	7	-	-	PUNCT
eurjchem-2099	108	8	o8	o8	NOUN
eurjchem-2099	108	9	bond	bond	NOUN
eurjchem-2099	108	10	length	length	NOUN
eurjchem-2099	108	11	is	be	AUX
eurjchem-2099	108	12	1.379(2	1.379(2	NUM
eurjchem-2099	108	13	)	)	PUNCT
eurjchem-2099	108	14	å	å	NOUN
eurjchem-2099	108	15	,	,	PUNCT
eurjchem-2099	108	16	which	which	PRON
eurjchem-2099	108	17	signifies	signify	VERB
eurjchem-2099	108	18	a	a	DET
eurjchem-2099	108	19	typical	typical	ADJ
eurjchem-2099	108	20	single	single	ADJ
eurjchem-2099	108	21	bond	bond	NOUN
eurjchem-2099	108	22	,	,	PUNCT
eurjchem-2099	108	23	whereas	whereas	SCONJ
eurjchem-2099	108	24	the	the	DET
eurjchem-2099	108	25	c10	c10	VERB
eurjchem-2099	108	26	-	-	PUNCT
eurjchem-2099	108	27	o11	o11	NOUN
eurjchem-2099	108	28	bond	bond	NOUN
eurjchem-2099	108	29	length	length	NOUN
eurjchem-2099	108	30	is	be	AUX
eurjchem-2099	108	31	1.261(2	1.261(2	NUM
eurjchem-2099	108	32	)	)	PUNCT
eurjchem-2099	108	33	å	å	PROPN
eurjchem-2099	108	34	indicates	indicate	VERB
eurjchem-2099	108	35	the	the	DET
eurjchem-2099	108	36	double	double	ADJ
eurjchem-2099	108	37	bond	bond	NOUN
eurjchem-2099	108	38	.	.	PUNCT
eurjchem-2099	109	1	the	the	DET
eurjchem-2099	109	2	torsion	torsion	NOUN
eurjchem-2099	109	3	angles	angle	VERB
eurjchem-2099	109	4	for	for	ADP
eurjchem-2099	109	5	c9	c9	NOUN
eurjchem-2099	109	6	-	-	PUNCT
eurjchem-2099	109	7	o8	o8	NOUN
eurjchem-2099	109	8	-	-	PUNCT
eurjchem-2099	109	9	c5	c5	PROPN
eurjchem-2099	109	10	-	-	PUNCT
eurjchem-2099	109	11	c4	c4	NOUN
eurjchem-2099	109	12	(	(	PUNCT
eurjchem-2099	109	13	-176.1(1	-176.1(1	NUM
eurjchem-2099	109	14	)	)	PUNCT
eurjchem-2099	109	15	°	°	NUM
eurjchem-2099	109	16	)	)	PUNCT
eurjchem-2099	109	17	and	and	CCONJ
eurjchem-2099	109	18	c9	c9	NOUN
eurjchem-2099	109	19	-	-	PUNCT
eurjchem-2099	109	20	o8	o8	NOUN
eurjchem-2099	109	21	-	-	PUNCT
eurjchem-2099	109	22	c5	c5	PROPN
eurjchem-2099	109	23	-	-	PUNCT
eurjchem-2099	109	24	c6	c6	PROPN
eurjchem-2099	109	25	(	(	PUNCT
eurjchem-2099	109	26	4.8(2	4.8(2	NUM
eurjchem-2099	109	27	)	)	PUNCT
eurjchem-2099	109	28	°	°	PROPN
eurjchem-2099	109	29	)	)	PUNCT
eurjchem-2099	109	30	indicate	indicate	VERB
eurjchem-2099	109	31	the	the	DET
eurjchem-2099	109	32	anti	anti	ADJ
eurjchem-2099	109	33	-	-	ADJ
eurjchem-2099	109	34	periplanar	periplanar	ADJ
eurjchem-2099	109	35	and	and	CCONJ
eurjchem-2099	109	36	syn	syn	NOUN
eurjchem-2099	109	37	-	-	PUNCT
eurjchem-2099	109	38	clinal	clinal	ADJ
eurjchem-2099	109	39	conformations	conformation	NOUN
eurjchem-2099	109	40	,	,	PUNCT
eurjchem-2099	109	41	respectively	respectively	ADV
eurjchem-2099	109	42	.	.	PUNCT
eurjchem-2099	110	1	the	the	DET
eurjchem-2099	110	2	molecular	molecular	ADJ
eurjchem-2099	110	3	structure	structure	NOUN
eurjchem-2099	110	4	exhibits	exhibit	VERB
eurjchem-2099	110	5	a	a	DET
eurjchem-2099	110	6	short	short	ADJ
eurjchem-2099	110	7	ring	ring	NOUN
eurjchem-2099	110	8	cg···cg	cg···cg	NOUN
eurjchem-2099	110	9	interaction	interaction	NOUN
eurjchem-2099	110	10	.	.	PUNCT
eurjchem-2099	111	1	cg	cg	NOUN
eurjchem-2099	111	2	is	be	AUX
eurjchem-2099	111	3	the	the	DET
eurjchem-2099	111	4	centroid	centroid	NOUN
eurjchem-2099	111	5	of	of	ADP
eurjchem-2099	111	6	the	the	DET
eurjchem-2099	111	7	ring	ring	NOUN
eurjchem-2099	111	8	c2	c2	PROPN
eurjchem-2099	111	9	-	-	PUNCT
eurjchem-2099	111	10	c3	c3	PROPN
eurjchem-2099	111	11	-	-	PUNCT
eurjchem-2099	111	12	c4	c4	NOUN
eurjchem-2099	111	13	-	-	PUNCT
eurjchem-2099	111	14	c5	c5	PROPN
eurjchem-2099	111	15	-	-	PUNCT
eurjchem-2099	111	16	c6	c6	PROPN
eurjchem-2099	111	17	-	-	PUNCT
eurjchem-2099	111	18	c7	c7	PROPN
eurjchem-2099	111	19	with	with	ADP
eurjchem-2099	111	20	cg···cg	cg···cg	PROPN
eurjchem-2099	111	21	distance	distance	NOUN
eurjchem-2099	111	22	of	of	ADP
eurjchem-2099	111	23	4.7992(1	4.7992(1	NUM
eurjchem-2099	111	24	)	)	PUNCT
eurjchem-2099	111	25	å	å	NOUN
eurjchem-2099	111	26	,	,	PUNCT
eurjchem-2099	111	27	and	and	CCONJ
eurjchem-2099	111	28	perpendicular	perpendicular	ADJ
eurjchem-2099	111	29	distance	distance	NOUN
eurjchem-2099	111	30	of	of	ADP
eurjchem-2099	111	31	cg	cg	NOUN
eurjchem-2099	111	32	on	on	ADP
eurjchem-2099	111	33	itself	itself	PRON
eurjchem-2099	111	34	is	be	AUX
eurjchem-2099	111	35	-3.1529(1	-3.1529(1	NUM
eurjchem-2099	111	36	)	)	PUNCT
eurjchem-2099	111	37	å	å	NOUN
eurjchem-2099	111	38	with	with	ADP
eurjchem-2099	111	39	a	a	DET
eurjchem-2099	111	40	slippage	slippage	NOUN
eurjchem-2099	111	41	value	value	NOUN
eurjchem-2099	111	42	of	of	ADP
eurjchem-2099	111	43	3.623	3.623	NUM
eurjchem-2099	111	44	å	å	NOUN
eurjchem-2099	111	45	.	.	PUNCT
eurjchem-2099	112	1	the	the	DET
eurjchem-2099	112	2	symmetry	symmetry	NOUN
eurjchem-2099	112	3	code	code	NOUN
eurjchem-2099	112	4	for	for	ADP
eurjchem-2099	112	5	the	the	DET
eurjchem-2099	112	6	cg···cg	cg···cg	PROPN
eurjchem-2099	112	7	interaction	interaction	NOUN
eurjchem-2099	112	8	is	be	AUX
eurjchem-2099	112	9	1	1	NUM
eurjchem-2099	112	10	-	-	PUNCT
eurjchem-2099	112	11	x	x	NOUN
eurjchem-2099	112	12	,	,	PUNCT
eurjchem-2099	112	13	1y	1y	NUM
eurjchem-2099	112	14	,	,	PUNCT
eurjchem-2099	112	15	-z	-z	X
eurjchem-2099	112	16	.	.	PUNCT
eurjchem-2099	113	1	the	the	DET
eurjchem-2099	113	2	structure	structure	NOUN
eurjchem-2099	113	3	further	far	ADV
eurjchem-2099	113	4	involves	involve	VERB
eurjchem-2099	113	5	c	c	NOUN
eurjchem-2099	113	6	-	-	SYM
eurjchem-2099	113	7	f	f	NOUN
eurjchem-2099	113	8	…	…	PUNCT
eurjchem-2099	113	9	cg	cg	NOUN
eurjchem-2099	113	10	interaction	interaction	NOUN
eurjchem-2099	113	11	;	;	PUNCT
eurjchem-2099	113	12	c2	c2	PROPN
eurjchem-2099	113	13	-	-	PUNCT
eurjchem-2099	113	14	f1	f1	NOUN
eurjchem-2099	113	15	atoms	atom	NOUN
eurjchem-2099	113	16	and	and	CCONJ
eurjchem-2099	113	17	the	the	DET
eurjchem-2099	113	18	centroid	centroid	NOUN
eurjchem-2099	113	19	of	of	ADP
eurjchem-2099	113	20	the	the	DET
eurjchem-2099	113	21	ring	ring	NOUN
eurjchem-2099	113	22	(	(	PUNCT
eurjchem-2099	113	23	c2	c2	PROPN
eurjchem-2099	113	24	-	-	PUNCT
eurjchem-2099	113	25	c3	c3	PROPN
eurjchem-2099	113	26	-	-	PUNCT
eurjchem-2099	113	27	c4	c4	NOUN
eurjchem-2099	113	28	-	-	PUNCT
eurjchem-2099	113	29	c5	c5	PROPN
eurjchem-2099	113	30	-	-	PUNCT
eurjchem-2099	113	31	c6	c6	PROPN
eurjchem-2099	113	32	-	-	PUNCT
eurjchem-2099	113	33	c7	c7	PROPN
eurjchem-2099	113	34	)	)	PUNCT
eurjchem-2099	113	35	.	.	PUNCT
eurjchem-2099	114	1	the	the	DET
eurjchem-2099	114	2	f1	f1	PROPN
eurjchem-2099	114	3	-	-	PUNCT
eurjchem-2099	114	4	cg	cg	NOUN
eurjchem-2099	114	5	distance	distance	NOUN
eurjchem-2099	114	6	is	be	AUX
eurjchem-2099	114	7	3.7787(2	3.7787(2	NOUN
eurjchem-2099	114	8	)	)	PUNCT
eurjchem-2099	114	9	,	,	PUNCT
eurjchem-2099	114	10	and	and	CCONJ
eurjchem-2099	114	11	γ	γ	X
eurjchem-2099	114	12	is	be	AUX
eurjchem-2099	114	13	21.47	21.47	NUM
eurjchem-2099	114	14	°	°	NOUN
eurjchem-2099	114	15	,	,	PUNCT
eurjchem-2099	114	16	c2	c2	PROPN
eurjchem-2099	114	17	-	-	PUNCT
eurjchem-2099	114	18	cg	cg	NOUN
eurjchem-2099	114	19	distance	distance	NOUN
eurjchem-2099	114	20	is	be	AUX
eurjchem-2099	114	21	4.214(2	4.214(2	NUM
eurjchem-2099	114	22	)	)	PUNCT
eurjchem-2099	115	1	å	å	NOUN
eurjchem-2099	115	2	,	,	PUNCT
eurjchem-2099	115	3	and	and	CCONJ
eurjchem-2099	115	4	c2	c2	PROPN
eurjchem-2099	115	5	-	-	PUNCT
eurjchem-2099	115	6	f···cg	f···cg	PROPN
eurjchem-2099	115	7	angle	angle	NOUN
eurjchem-2099	115	8	is	be	AUX
eurjchem-2099	115	9	99.05(1	99.05(1	NUM
eurjchem-2099	115	10	)	)	PUNCT
eurjchem-2099	115	11	°	°	NOUN
eurjchem-2099	115	12	with	with	ADP
eurjchem-2099	115	13	the	the	DET
eurjchem-2099	115	14	symmetry	symmetry	NOUN
eurjchem-2099	115	15	code	code	PROPN
eurjchem-2099	115	16	x	x	SYM
eurjchem-2099	115	17	,	,	PUNCT
eurjchem-2099	115	18	1+y	1+y	NUM
eurjchem-2099	115	19	,	,	PUNCT
eurjchem-2099	115	20	z.	z.	PROPN
eurjchem-2099	116	1	the	the	DET
eurjchem-2099	116	2	structure	structure	NOUN
eurjchem-2099	116	3	is	be	AUX
eurjchem-2099	116	4	stabilized	stabilize	VERB
eurjchem-2099	116	5	by	by	ADP
eurjchem-2099	116	6	c	c	NOUN
eurjchem-2099	116	7	-	-	PUNCT
eurjchem-2099	116	8	h	h	NOUN
eurjchem-2099	116	9	…	…	PUNCT
eurjchem-2099	116	10	cg	cg	NOUN
eurjchem-2099	116	11	interactions	interaction	NOUN
eurjchem-2099	116	12	.	.	PUNCT
eurjchem-2099	117	1	the	the	DET
eurjchem-2099	117	2	distance	distance	NOUN
eurjchem-2099	117	3	between	between	ADP
eurjchem-2099	117	4	h	h	NOUN
eurjchem-2099	117	5	-	-	PUNCT
eurjchem-2099	117	6	cg	cg	NOUN
eurjchem-2099	117	7	(	(	PUNCT
eurjchem-2099	117	8	h9a···cg	h9a···cg	PROPN
eurjchem-2099	117	9	)	)	PUNCT
eurjchem-2099	117	10	is	be	AUX
eurjchem-2099	117	11	2.67	2.67	NUM
eurjchem-2099	117	12	å	å	NOUN
eurjchem-2099	117	13	,	,	PUNCT
eurjchem-2099	117	14	γ	γ	X
eurjchem-2099	117	15	=	=	SYM
eurjchem-2099	117	16	8.68	8.68	NUM
eurjchem-2099	117	17	°	°	NOUN
eurjchem-2099	117	18	,	,	PUNCT
eurjchem-2099	117	19	and	and	CCONJ
eurjchem-2099	117	20	c9cg	c9cg	NUM
eurjchem-2099	117	21	distance	distance	NOUN
eurjchem-2099	117	22	is	be	AUX
eurjchem-2099	117	23	3.4245(2	3.4245(2	NUM
eurjchem-2099	117	24	)	)	PUNCT
eurjchem-2099	118	1	å	å	NOUN
eurjchem-2099	118	2	.	.	PUNCT
eurjchem-2099	119	1	the	the	DET
eurjchem-2099	119	2	angle	angle	NOUN
eurjchem-2099	119	3	of	of	ADP
eurjchem-2099	119	4	deviation	deviation	NOUN
eurjchem-2099	119	5	of	of	ADP
eurjchem-2099	119	6	c9	c9	NOUN
eurjchem-2099	119	7	-	-	PUNCT
eurjchem-2099	119	8	h9a	h9a	PROPN
eurjchem-2099	119	9	from	from	ADP
eurjchem-2099	119	10	the	the	DET
eurjchem-2099	119	11	π	π	PROPN
eurjchem-2099	119	12	plane	plane	NOUN
eurjchem-2099	119	13	is	be	AUX
eurjchem-2099	119	14	134	134	NUM
eurjchem-2099	119	15	°	°	NOUN
eurjchem-2099	119	16	.	.	PUNCT
eurjchem-2099	120	1	the	the	DET
eurjchem-2099	120	2	molecules	molecule	NOUN
eurjchem-2099	120	3	are	be	AUX
eurjchem-2099	120	4	further	far	ADV
eurjchem-2099	120	5	connected	connect	VERB
eurjchem-2099	120	6	by	by	ADP
eurjchem-2099	120	7	c	c	PROPN
eurjchem-2099	120	8	-	-	PUNCT
eurjchem-2099	120	9	h···o	h···o	PROPN
eurjchem-2099	120	10	and	and	CCONJ
eurjchem-2099	120	11	o	o	PROPN
eurjchem-2099	120	12	-	-	ADJ
eurjchem-2099	120	13	h···o	h···o	ADJ
eurjchem-2099	120	14	intermolecular	intermolecular	ADJ
eurjchem-2099	120	15	interactions	interaction	NOUN
eurjchem-2099	120	16	.	.	PUNCT
eurjchem-2099	121	1	hydrogen	hydrogen	NOUN
eurjchem-2099	121	2	bond	bond	NOUN
eurjchem-2099	121	3	interactions	interaction	NOUN
eurjchem-2099	121	4	are	be	AUX
eurjchem-2099	121	5	listed	list	VERB
eurjchem-2099	121	6	in	in	ADP
eurjchem-2099	121	7	table	table	NOUN
eurjchem-2099	121	8	2	2	NUM
eurjchem-2099	121	9	.	.	PUNCT
eurjchem-2099	122	1	the	the	DET
eurjchem-2099	122	2	packing	packing	NOUN
eurjchem-2099	122	3	of	of	ADP
eurjchem-2099	122	4	the	the	DET
eurjchem-2099	122	5	molecules	molecule	NOUN
eurjchem-2099	122	6	when	when	SCONJ
eurjchem-2099	122	7	viewed	view	VERB
eurjchem-2099	122	8	along	along	ADP
eurjchem-2099	122	9	the	the	DET
eurjchem-2099	122	10	b	b	PROPN
eurjchem-2099	122	11	axis	axis	NOUN
eurjchem-2099	122	12	is	be	AUX
eurjchem-2099	122	13	shown	show	VERB
eurjchem-2099	122	14	in	in	ADP
eurjchem-2099	122	15	figure	figure	NOUN
eurjchem-2099	122	16	3	3	NUM
eurjchem-2099	122	17	.	.	NOUN
eurjchem-2099	122	18	3.2	3.2	NUM
eurjchem-2099	122	19	.	.	PUNCT
eurjchem-2099	123	1	hirshfeld	hirshfeld	PROPN
eurjchem-2099	123	2	surface	surface	PROPN
eurjchem-2099	123	3	analysis	analysis	NOUN
eurjchem-2099	123	4	the	the	DET
eurjchem-2099	123	5	hirshfeld	hirshfeld	PROPN
eurjchem-2099	123	6	surface	surface	NOUN
eurjchem-2099	123	7	analysis	analysis	NOUN
eurjchem-2099	123	8	is	be	AUX
eurjchem-2099	123	9	the	the	DET
eurjchem-2099	123	10	visualization	visualization	NOUN
eurjchem-2099	123	11	of	of	ADP
eurjchem-2099	123	12	intermolecular	intermolecular	ADJ
eurjchem-2099	123	13	interactions	interaction	NOUN
eurjchem-2099	123	14	between	between	ADP
eurjchem-2099	123	15	the	the	DET
eurjchem-2099	123	16	molecules	molecule	NOUN
eurjchem-2099	123	17	in	in	ADP
eurjchem-2099	123	18	a	a	DET
eurjchem-2099	123	19	crystal	crystal	NOUN
eurjchem-2099	123	20	.	.	PUNCT
eurjchem-2099	124	1	it	it	PRON
eurjchem-2099	124	2	helps	help	VERB
eurjchem-2099	124	3	to	to	PART
eurjchem-2099	124	4	anatomize	anatomize	VERB
eurjchem-2099	124	5	the	the	DET
eurjchem-2099	124	6	interplanar	interplanar	ADJ
eurjchem-2099	124	7	distance	distance	NOUN
eurjchem-2099	124	8	,	,	PUNCT
eurjchem-2099	124	9	angles	angle	NOUN
eurjchem-2099	124	10	,	,	PUNCT
eurjchem-2099	124	11	and	and	CCONJ
eurjchem-2099	124	12	packing	pack	VERB
eurjchem-2099	124	13	modes	mode	NOUN
eurjchem-2099	124	14	in	in	ADP
eurjchem-2099	124	15	the	the	DET
eurjchem-2099	124	16	crystal	crystal	NOUN
eurjchem-2099	124	17	.	.	PUNCT
eurjchem-2099	125	1	prabhuswamy	prabhuswamy	ADJ
eurjchem-2099	125	2	et	et	PROPN
eurjchem-2099	125	3	al	al	PROPN
eurjchem-2099	125	4	.	.	PUNCT
eurjchem-2099	125	5	/	/	SYM
eurjchem-2099	125	6	european	european	PROPN
eurjchem-2099	125	7	journal	journal	PROPN
eurjchem-2099	125	8	of	of	ADP
eurjchem-2099	125	9	chemistry	chemistry	NOUN
eurjchem-2099	125	10	12	12	NUM
eurjchem-2099	125	11	(	(	PUNCT
eurjchem-2099	125	12	3	3	NUM
eurjchem-2099	125	13	)	)	PUNCT
eurjchem-2099	125	14	(	(	PUNCT
eurjchem-2099	125	15	2021	2021	NUM
eurjchem-2099	125	16	)	)	PUNCT
eurjchem-2099	125	17	304	304	NUM
eurjchem-2099	125	18	-	-	SYM
eurjchem-2099	125	19	313	313	NUM
eurjchem-2099	125	20	307	307	NUM
eurjchem-2099	125	21	2021	2021	NUM
eurjchem-2099	125	22	–	–	PUNCT
eurjchem-2099	125	23	european	european	ADJ
eurjchem-2099	125	24	journal	journal	NOUN
eurjchem-2099	125	25	of	of	ADP
eurjchem-2099	125	26	chemistry	chemistry	NOUN
eurjchem-2099	125	27	–	–	PUNCT
eurjchem-2099	125	28	cc	cc	NOUN
eurjchem-2099	125	29	by	by	ADP
eurjchem-2099	125	30	nc	nc	PROPN
eurjchem-2099	125	31	–	–	PUNCT
eurjchem-2099	125	32	doi	doi	PROPN
eurjchem-2099	125	33	:	:	PUNCT
eurjchem-2099	125	34	10.5155	10.5155	NUM
eurjchem-2099	125	35	/	/	SYM
eurjchem-2099	125	36	eurjchem.12.3.304	eurjchem.12.3.304	NOUN
eurjchem-2099	125	37	-	-	SYM
eurjchem-2099	125	38	313.2099	313.2099	NUM
eurjchem-2099	125	39	figure	figure	NOUN
eurjchem-2099	125	40	4	4	NUM
eurjchem-2099	125	41	.	.	PUNCT
eurjchem-2099	126	1	hirshfeld	hirshfeld	PROPN
eurjchem-2099	126	2	surface	surface	NOUN
eurjchem-2099	126	3	of	of	ADP
eurjchem-2099	126	4	the	the	DET
eurjchem-2099	126	5	molecule	molecule	NOUN
eurjchem-2099	126	6	mapped	map	VERB
eurjchem-2099	126	7	over	over	ADP
eurjchem-2099	126	8	dnorm	dnorm	NOUN
eurjchem-2099	126	9	.	.	PUNCT
eurjchem-2099	127	1	figure	figure	NOUN
eurjchem-2099	127	2	5	5	NUM
eurjchem-2099	127	3	.	.	PUNCT
eurjchem-2099	127	4	2d	2d	PROPN
eurjchem-2099	127	5	fingerprint	fingerprint	NOUN
eurjchem-2099	127	6	plot	plot	NOUN
eurjchem-2099	127	7	of	of	ADP
eurjchem-2099	127	8	all	all	DET
eurjchem-2099	127	9	intermolecular	intermolecular	ADJ
eurjchem-2099	127	10	contacts	contact	NOUN
eurjchem-2099	127	11	.	.	PUNCT
eurjchem-2099	128	1	the	the	DET
eurjchem-2099	128	2	hirshfeld	hirshfeld	PROPN
eurjchem-2099	128	3	surface	surface	NOUN
eurjchem-2099	128	4	of	of	ADP
eurjchem-2099	128	5	a	a	DET
eurjchem-2099	128	6	molecule	molecule	NOUN
eurjchem-2099	128	7	divides	divide	VERB
eurjchem-2099	128	8	the	the	DET
eurjchem-2099	128	9	electron	electron	NOUN
eurjchem-2099	128	10	density	density	NOUN
eurjchem-2099	128	11	of	of	ADP
eurjchem-2099	128	12	a	a	DET
eurjchem-2099	128	13	crystal	crystal	NOUN
eurjchem-2099	128	14	into	into	ADP
eurjchem-2099	128	15	molecular	molecular	ADJ
eurjchem-2099	128	16	fragments	fragment	NOUN
eurjchem-2099	128	17	.	.	PUNCT
eurjchem-2099	129	1	it	it	PRON
eurjchem-2099	129	2	divides	divide	VERB
eurjchem-2099	129	3	the	the	DET
eurjchem-2099	129	4	crystal	crystal	NOUN
eurjchem-2099	129	5	into	into	ADP
eurjchem-2099	129	6	regions	region	NOUN
eurjchem-2099	129	7	where	where	SCONJ
eurjchem-2099	129	8	the	the	DET
eurjchem-2099	129	9	electron	electron	NOUN
eurjchem-2099	129	10	distribution	distribution	NOUN
eurjchem-2099	129	11	of	of	ADP
eurjchem-2099	129	12	a	a	DET
eurjchem-2099	129	13	sum	sum	NOUN
eurjchem-2099	129	14	of	of	ADP
eurjchem-2099	129	15	spherical	spherical	ADJ
eurjchem-2099	129	16	atoms	atom	NOUN
eurjchem-2099	129	17	for	for	ADP
eurjchem-2099	129	18	the	the	DET
eurjchem-2099	129	19	molecule	molecule	NOUN
eurjchem-2099	129	20	(	(	PUNCT
eurjchem-2099	129	21	the	the	DET
eurjchem-2099	129	22	promolecule	promolecule	NOUN
eurjchem-2099	129	23	)	)	PUNCT
eurjchem-2099	129	24	dominates	dominate	VERB
eurjchem-2099	129	25	the	the	DET
eurjchem-2099	129	26	corresponding	corresponding	ADJ
eurjchem-2099	129	27	sum	sum	NOUN
eurjchem-2099	129	28	over	over	ADP
eurjchem-2099	129	29	the	the	DET
eurjchem-2099	129	30	crystal	crystal	NOUN
eurjchem-2099	129	31	(	(	PUNCT
eurjchem-2099	129	32	the	the	DET
eurjchem-2099	129	33	procrystal	procrystal	NOUN
eurjchem-2099	129	34	)	)	PUNCT
eurjchem-2099	130	1	[	[	X
eurjchem-2099	130	2	37	37	NUM
eurjchem-2099	130	3	]	]	PUNCT
eurjchem-2099	130	4	.	.	PUNCT
eurjchem-2099	131	1	the	the	DET
eurjchem-2099	131	2	hirshfeld	hirshfeld	PROPN
eurjchem-2099	131	3	surface	surface	NOUN
eurjchem-2099	131	4	is	be	AUX
eurjchem-2099	131	5	generated	generate	VERB
eurjchem-2099	131	6	for	for	ADP
eurjchem-2099	131	7	the	the	DET
eurjchem-2099	131	8	molecule	molecule	NOUN
eurjchem-2099	131	9	and	and	CCONJ
eurjchem-2099	131	10	the	the	DET
eurjchem-2099	131	11	proximity	proximity	NOUN
eurjchem-2099	131	12	of	of	ADP
eurjchem-2099	131	13	its	its	PRON
eurjchem-2099	131	14	nearest	near	ADJ
eurjchem-2099	131	15	neighbor	neighbor	NOUN
eurjchem-2099	131	16	’s	’s	PART
eurjchem-2099	131	17	.	.	PUNCT
eurjchem-2099	132	1	thus	thus	ADV
eurjchem-2099	132	2	,	,	PUNCT
eurjchem-2099	132	3	it	it	PRON
eurjchem-2099	132	4	contains	contain	VERB
eurjchem-2099	132	5	the	the	DET
eurjchem-2099	132	6	details	detail	NOUN
eurjchem-2099	132	7	of	of	ADP
eurjchem-2099	132	8	the	the	DET
eurjchem-2099	132	9	intermolecular	intermolecular	ADJ
eurjchem-2099	132	10	interactions	interaction	NOUN
eurjchem-2099	132	11	.	.	PUNCT
eurjchem-2099	133	1	the	the	DET
eurjchem-2099	133	2	hirshfeld	hirshfeld	PROPN
eurjchem-2099	133	3	surface	surface	NOUN
eurjchem-2099	133	4	of	of	ADP
eurjchem-2099	133	5	the	the	DET
eurjchem-2099	133	6	molecule	molecule	NOUN
eurjchem-2099	133	7	mapped	map	VERB
eurjchem-2099	133	8	over	over	ADP
eurjchem-2099	133	9	the	the	DET
eurjchem-2099	133	10	dnorm	dnorm	NOUN
eurjchem-2099	133	11	is	be	AUX
eurjchem-2099	133	12	shown	show	VERB
eurjchem-2099	133	13	in	in	ADP
eurjchem-2099	133	14	figure	figure	NOUN
eurjchem-2099	133	15	4	4	NUM
eurjchem-2099	133	16	.	.	PUNCT
eurjchem-2099	133	17	hirshfeld	hirshfeld	PROPN
eurjchem-2099	133	18	surfaces	surface	NOUN
eurjchem-2099	133	19	and	and	CCONJ
eurjchem-2099	133	20	two	two	NUM
eurjchem-2099	133	21	-	-	PUNCT
eurjchem-2099	133	22	dimensional	dimensional	ADJ
eurjchem-2099	133	23	fingerprint	fingerprint	NOUN
eurjchem-2099	133	24	plots	plot	NOUN
eurjchem-2099	133	25	are	be	AUX
eurjchem-2099	133	26	generated	generate	VERB
eurjchem-2099	133	27	using	use	VERB
eurjchem-2099	133	28	crystalexplorer17.5	crystalexplorer17.5	PROPN
eurjchem-2099	133	29	software	software	NOUN
eurjchem-2099	134	1	[	[	X
eurjchem-2099	134	2	38	38	NUM
eurjchem-2099	134	3	]	]	PUNCT
eurjchem-2099	134	4	.	.	PUNCT
eurjchem-2099	135	1	the	the	DET
eurjchem-2099	135	2	dnorm	dnorm	NOUN
eurjchem-2099	135	3	value	value	NOUN
eurjchem-2099	135	4	is	be	AUX
eurjchem-2099	135	5	positive	positive	ADJ
eurjchem-2099	135	6	for	for	ADP
eurjchem-2099	135	7	shorter	short	ADJ
eurjchem-2099	135	8	contacts	contact	NOUN
eurjchem-2099	135	9	(	(	PUNCT
eurjchem-2099	135	10	blue	blue	ADJ
eurjchem-2099	135	11	region	region	NOUN
eurjchem-2099	135	12	)	)	PUNCT
eurjchem-2099	135	13	,	,	PUNCT
eurjchem-2099	135	14	negative	negative	ADJ
eurjchem-2099	135	15	for	for	ADP
eurjchem-2099	135	16	longer	long	ADJ
eurjchem-2099	135	17	contacts	contact	NOUN
eurjchem-2099	135	18	(	(	PUNCT
eurjchem-2099	135	19	red	red	ADJ
eurjchem-2099	135	20	regions	region	NOUN
eurjchem-2099	135	21	)	)	PUNCT
eurjchem-2099	135	22	compared	compare	VERB
eurjchem-2099	135	23	to	to	ADP
eurjchem-2099	135	24	van	van	PROPN
eurjchem-2099	135	25	der	der	ADJ
eurjchem-2099	135	26	waals	waal	NOUN
eurjchem-2099	135	27	(	(	PUNCT
eurjchem-2099	135	28	vdw	vdw	NOUN
eurjchem-2099	135	29	)	)	PUNCT
eurjchem-2099	135	30	separation	separation	NOUN
eurjchem-2099	135	31	.	.	PUNCT
eurjchem-2099	136	1	it	it	PRON
eurjchem-2099	136	2	is	be	AUX
eurjchem-2099	136	3	zero	zero	NUM
eurjchem-2099	136	4	(	(	PUNCT
eurjchem-2099	136	5	white	white	ADJ
eurjchem-2099	136	6	)	)	PUNCT
eurjchem-2099	136	7	for	for	ADP
eurjchem-2099	136	8	the	the	DET
eurjchem-2099	136	9	contacts	contact	NOUN
eurjchem-2099	136	10	around	around	ADP
eurjchem-2099	136	11	the	the	DET
eurjchem-2099	136	12	vdw	vdw	NOUN
eurjchem-2099	136	13	separation	separation	NOUN
eurjchem-2099	136	14	.	.	PUNCT
eurjchem-2099	137	1	the	the	DET
eurjchem-2099	137	2	computed	compute	VERB
eurjchem-2099	137	3	molecular	molecular	ADJ
eurjchem-2099	137	4	hirshfeld	hirshfeld	PROPN
eurjchem-2099	137	5	surface	surface	NOUN
eurjchem-2099	137	6	area	area	NOUN
eurjchem-2099	137	7	is	be	AUX
eurjchem-2099	137	8	193.86	193.86	NUM
eurjchem-2099	137	9	å2	å2	NOUN
eurjchem-2099	137	10	,	,	PUNCT
eurjchem-2099	137	11	which	which	PRON
eurjchem-2099	137	12	encloses	enclose	VERB
eurjchem-2099	137	13	the	the	DET
eurjchem-2099	137	14	volume	volume	NOUN
eurjchem-2099	137	15	of	of	ADP
eurjchem-2099	137	16	182.08	182.08	NUM
eurjchem-2099	137	17	å3	å3	PROPN
eurjchem-2099	137	18	.	.	PUNCT
eurjchem-2099	138	1	other	other	ADJ
eurjchem-2099	138	2	calculated	calculate	VERB
eurjchem-2099	138	3	shape	shape	NOUN
eurjchem-2099	138	4	descriptors	descriptor	NOUN
eurjchem-2099	138	5	are	be	AUX
eurjchem-2099	138	6	globularity	globularity	NOUN
eurjchem-2099	138	7	(	(	PUNCT
eurjchem-2099	138	8	g	g	NOUN
eurjchem-2099	138	9	=	=	NOUN
eurjchem-2099	138	10	0.801	0.801	NUM
eurjchem-2099	138	11	)	)	PUNCT
eurjchem-2099	138	12	and	and	CCONJ
eurjchem-2099	138	13	a	a	DET
eurjchem-2099	138	14	sphericity	sphericity	NOUN
eurjchem-2099	138	15	(	(	PUNCT
eurjchem-2099	138	16	ω	ω	NOUN
eurjchem-2099	138	17	=	=	SYM
eurjchem-2099	138	18	0.235	0.235	NUM
eurjchem-2099	138	19	)	)	PUNCT
eurjchem-2099	138	20	.	.	PUNCT
eurjchem-2099	139	1	the	the	DET
eurjchem-2099	139	2	bright	bright	ADJ
eurjchem-2099	139	3	red	red	ADJ
eurjchem-2099	139	4	regions	region	NOUN
eurjchem-2099	139	5	on	on	ADP
eurjchem-2099	139	6	the	the	DET
eurjchem-2099	139	7	hirshfeld	hirshfeld	PROPN
eurjchem-2099	139	8	surface	surface	NOUN
eurjchem-2099	139	9	are	be	AUX
eurjchem-2099	139	10	due	due	ADJ
eurjchem-2099	139	11	to	to	ADP
eurjchem-2099	139	12	o	o	NOUN
eurjchem-2099	139	13	-	-	NOUN
eurjchem-2099	139	14	h···o	h···o	PROPN
eurjchem-2099	139	15	(	(	PUNCT
eurjchem-2099	139	16	a	a	NOUN
eurjchem-2099	139	17	)	)	PUNCT
eurjchem-2099	139	18	and	and	CCONJ
eurjchem-2099	139	19	c	c	X
eurjchem-2099	139	20	-	-	PUNCT
eurjchem-2099	139	21	h···o	h···o	PROPN
eurjchem-2099	139	22	(	(	PUNCT
eurjchem-2099	139	23	b	b	NOUN
eurjchem-2099	139	24	)	)	PUNCT
eurjchem-2099	139	25	intermolecular	intermolecular	ADJ
eurjchem-2099	139	26	interactions	interaction	NOUN
eurjchem-2099	139	27	.	.	PUNCT
eurjchem-2099	140	1	the	the	DET
eurjchem-2099	140	2	2d	2d	PROPN
eurjchem-2099	140	3	fingerprint	fingerprint	NOUN
eurjchem-2099	140	4	plot	plot	NOUN
eurjchem-2099	140	5	provides	provide	VERB
eurjchem-2099	140	6	a	a	DET
eurjchem-2099	140	7	precise	precise	ADJ
eurjchem-2099	140	8	two	two	NUM
eurjchem-2099	140	9	-	-	PUNCT
eurjchem-2099	140	10	dimensional	dimensional	ADJ
eurjchem-2099	140	11	graphical	graphical	ADJ
eurjchem-2099	140	12	representation	representation	NOUN
eurjchem-2099	140	13	of	of	ADP
eurjchem-2099	140	14	the	the	DET
eurjchem-2099	140	15	intermolecular	intermolecular	ADJ
eurjchem-2099	140	16	interactions	interaction	NOUN
eurjchem-2099	140	17	in	in	ADP
eurjchem-2099	140	18	a	a	DET
eurjchem-2099	140	19	crystal	crystal	NOUN
eurjchem-2099	140	20	.	.	PUNCT
eurjchem-2099	141	1	the	the	DET
eurjchem-2099	141	2	contributions	contribution	NOUN
eurjchem-2099	141	3	from	from	ADP
eurjchem-2099	141	4	different	different	ADJ
eurjchem-2099	141	5	contacts	contact	NOUN
eurjchem-2099	141	6	to	to	ADP
eurjchem-2099	141	7	the	the	DET
eurjchem-2099	141	8	total	total	ADJ
eurjchem-2099	141	9	hirshfeld	hirshfeld	PROPN
eurjchem-2099	141	10	surface	surface	PROPN
eurjchem-2099	141	11	area	area	NOUN
eurjchem-2099	141	12	are	be	AUX
eurjchem-2099	141	13	o···h	o···h	NOUN
eurjchem-2099	141	14	(	(	PUNCT
eurjchem-2099	141	15	31.5	31.5	NUM
eurjchem-2099	141	16	%	%	NOUN
eurjchem-2099	141	17	)	)	PUNCT
eurjchem-2099	141	18	,	,	PUNCT
eurjchem-2099	141	19	h···h	h···h	PROPN
eurjchem-2099	141	20	(	(	PUNCT
eurjchem-2099	141	21	23.4	23.4	NUM
eurjchem-2099	141	22	%	%	NOUN
eurjchem-2099	141	23	)	)	PUNCT
eurjchem-2099	141	24	,	,	PUNCT
eurjchem-2099	141	25	c···h	c···h	PROPN
eurjchem-2099	141	26	(	(	PUNCT
eurjchem-2099	141	27	15.8	15.8	NUM
eurjchem-2099	141	28	%	%	NOUN
eurjchem-2099	141	29	)	)	PUNCT
eurjchem-2099	141	30	,	,	PUNCT
eurjchem-2099	141	31	and	and	CCONJ
eurjchem-2099	141	32	f···h	f···h	PROPN
eurjchem-2099	141	33	(	(	PUNCT
eurjchem-2099	141	34	15.4	15.4	NUM
eurjchem-2099	141	35	%	%	NOUN
eurjchem-2099	141	36	)	)	PUNCT
eurjchem-2099	141	37	.	.	PUNCT
eurjchem-2099	142	1	the	the	DET
eurjchem-2099	142	2	major	major	ADJ
eurjchem-2099	142	3	contributors	contributor	NOUN
eurjchem-2099	142	4	are	be	AUX
eurjchem-2099	142	5	o···h	o···h	NOUN
eurjchem-2099	142	6	and	and	CCONJ
eurjchem-2099	142	7	f···h	f···h	PROPN
eurjchem-2099	142	8	contacts	contact	NOUN
eurjchem-2099	142	9	,	,	PUNCT
eurjchem-2099	142	10	which	which	PRON
eurjchem-2099	142	11	are	be	AUX
eurjchem-2099	142	12	the	the	DET
eurjchem-2099	142	13	short	short	ADJ
eurjchem-2099	142	14	intermolecular	intermolecular	ADJ
eurjchem-2099	142	15	interactions	interaction	NOUN
eurjchem-2099	142	16	.	.	PUNCT
eurjchem-2099	143	1	the	the	DET
eurjchem-2099	143	2	general	general	ADJ
eurjchem-2099	143	3	contributions	contribution	NOUN
eurjchem-2099	143	4	of	of	ADP
eurjchem-2099	143	5	the	the	DET
eurjchem-2099	143	6	different	different	ADJ
eurjchem-2099	143	7	contacts	contact	NOUN
eurjchem-2099	143	8	to	to	ADP
eurjchem-2099	143	9	the	the	DET
eurjchem-2099	143	10	total	total	ADJ
eurjchem-2099	143	11	hirshfeld	hirshfeld	PROPN
eurjchem-2099	143	12	surface	surface	PROPN
eurjchem-2099	143	13	area	area	NOUN
eurjchem-2099	143	14	are	be	AUX
eurjchem-2099	143	15	shown	show	VERB
eurjchem-2099	143	16	in	in	ADP
eurjchem-2099	143	17	figure	figure	NOUN
eurjchem-2099	143	18	5	5	NUM
eurjchem-2099	143	19	.	.	PUNCT
eurjchem-2099	144	1	the	the	DET
eurjchem-2099	144	2	short	short	ADJ
eurjchem-2099	144	3	intermolecular	intermolecular	ADJ
eurjchem-2099	144	4	o	o	ADJ
eurjchem-2099	144	5	-	-	ADJ
eurjchem-2099	144	6	h	h	ADJ
eurjchem-2099	144	7	contacts	contact	NOUN
eurjchem-2099	144	8	are	be	AUX
eurjchem-2099	144	9	represented	represent	VERB
eurjchem-2099	144	10	by	by	ADP
eurjchem-2099	144	11	sharp	sharp	ADJ
eurjchem-2099	144	12	spikes	spike	NOUN
eurjchem-2099	144	13	with	with	ADP
eurjchem-2099	144	14	di+de	di+de	NOUN
eurjchem-2099	144	15	=	=	SYM
eurjchem-2099	144	16	2	2	NUM
eurjchem-2099	144	17	å	å	NOUN
eurjchem-2099	144	18	.	.	PUNCT
eurjchem-2099	145	1	the	the	DET
eurjchem-2099	145	2	wings	wing	NOUN
eurjchem-2099	145	3	(	(	PUNCT
eurjchem-2099	145	4	see	see	VERB
eurjchem-2099	145	5	figure	figure	NOUN
eurjchem-2099	145	6	6c	6c	NUM
eurjchem-2099	145	7	)	)	PUNCT
eurjchem-2099	145	8	are	be	AUX
eurjchem-2099	145	9	due	due	ADJ
eurjchem-2099	145	10	to	to	ADP
eurjchem-2099	145	11	c	c	NOUN
eurjchem-2099	145	12	-	-	PUNCT
eurjchem-2099	145	13	h	h	NOUN
eurjchem-2099	145	14	contacts	contact	NOUN
eurjchem-2099	145	15	with	with	ADP
eurjchem-2099	145	16	di+de	di+de	NOUN
eurjchem-2099	145	17	values	value	NOUN
eurjchem-2099	145	18	of	of	ADP
eurjchem-2099	145	19	3.2	3.2	NUM
eurjchem-2099	145	20	å	å	NOUN
eurjchem-2099	145	21	.	.	PUNCT
eurjchem-2099	146	1	here	here	ADV
eurjchem-2099	146	2	di	di	PROPN
eurjchem-2099	146	3	and	and	CCONJ
eurjchem-2099	146	4	de	de	X
eurjchem-2099	146	5	are	be	AUX
eurjchem-2099	146	6	the	the	DET
eurjchem-2099	146	7	distance	distance	NOUN
eurjchem-2099	146	8	from	from	ADP
eurjchem-2099	146	9	the	the	DET
eurjchem-2099	146	10	hirshfeld	hirshfeld	PROPN
eurjchem-2099	146	11	surface	surface	NOUN
eurjchem-2099	146	12	to	to	ADP
eurjchem-2099	146	13	the	the	DET
eurjchem-2099	146	14	nucleus	nucleus	PROPN
eurjchem-2099	146	15	internal	internal	NOUN
eurjchem-2099	146	16	to	to	ADP
eurjchem-2099	146	17	the	the	DET
eurjchem-2099	146	18	surface	surface	NOUN
eurjchem-2099	146	19	and	and	CCONJ
eurjchem-2099	146	20	the	the	DET
eurjchem-2099	146	21	distance	distance	NOUN
eurjchem-2099	146	22	from	from	ADP
eurjchem-2099	146	23	the	the	DET
eurjchem-2099	146	24	hirshfeld	hirshfeld	PROPN
eurjchem-2099	146	25	surface	surface	NOUN
eurjchem-2099	146	26	to	to	ADP
eurjchem-2099	146	27	the	the	DET
eurjchem-2099	146	28	nucleus	nucleus	ADJ
eurjchem-2099	146	29	external	external	NOUN
eurjchem-2099	146	30	to	to	ADP
eurjchem-2099	146	31	the	the	DET
eurjchem-2099	146	32	surface	surface	NOUN
eurjchem-2099	146	33	,	,	PUNCT
eurjchem-2099	146	34	respectively	respectively	ADV
eurjchem-2099	146	35	.	.	PUNCT
eurjchem-2099	147	1	the	the	DET
eurjchem-2099	147	2	central	central	ADJ
eurjchem-2099	147	3	green	green	ADJ
eurjchem-2099	147	4	color	color	NOUN
eurjchem-2099	147	5	region	region	NOUN
eurjchem-2099	147	6	indicates	indicate	VERB
eurjchem-2099	147	7	the	the	DET
eurjchem-2099	147	8	c	c	NOUN
eurjchem-2099	147	9	-	-	PUNCT
eurjchem-2099	147	10	h···π	h···π	PROPN
eurjchem-2099	147	11	interactions	interaction	NOUN
eurjchem-2099	147	12	.	.	PUNCT
eurjchem-2099	148	1	the	the	DET
eurjchem-2099	148	2	contributions	contribution	NOUN
eurjchem-2099	148	3	of	of	ADP
eurjchem-2099	148	4	different	different	ADJ
eurjchem-2099	148	5	contacts	contact	NOUN
eurjchem-2099	148	6	such	such	ADJ
eurjchem-2099	148	7	as	as	ADP
eurjchem-2099	148	8	o	o	NOUN
eurjchem-2099	148	9	-	-	NOUN
eurjchem-2099	148	10	h	h	ADJ
eurjchem-2099	148	11	,	,	PUNCT
eurjchem-2099	148	12	h	h	NOUN
eurjchem-2099	148	13	-	-	PUNCT
eurjchem-2099	148	14	h	h	NOUN
eurjchem-2099	148	15	,	,	PUNCT
eurjchem-2099	148	16	c	c	NOUN
eurjchem-2099	148	17	-	-	PUNCT
eurjchem-2099	148	18	h	h	NOUN
eurjchem-2099	148	19	,	,	PUNCT
eurjchem-2099	148	20	and	and	CCONJ
eurjchem-2099	148	21	fh	fh	PROPN
eurjchem-2099	148	22	to	to	ADP
eurjchem-2099	148	23	the	the	DET
eurjchem-2099	148	24	total	total	ADJ
eurjchem-2099	148	25	surface	surface	NOUN
eurjchem-2099	148	26	area	area	NOUN
eurjchem-2099	148	27	and	and	CCONJ
eurjchem-2099	148	28	the	the	DET
eurjchem-2099	148	29	corresponding	corresponding	ADJ
eurjchem-2099	148	30	dnorm	dnorm	NOUN
eurjchem-2099	148	31	surface	surface	NOUN
eurjchem-2099	148	32	are	be	AUX
eurjchem-2099	148	33	shown	show	VERB
eurjchem-2099	148	34	in	in	ADP
eurjchem-2099	148	35	figure	figure	NOUN
eurjchem-2099	148	36	6	6	NUM
eurjchem-2099	148	37	.	.	NOUN
eurjchem-2099	148	38	3.3	3.3	NUM
eurjchem-2099	148	39	.	.	PUNCT
eurjchem-2099	148	40	shape	shape	NOUN
eurjchem-2099	148	41	index	index	NOUN
eurjchem-2099	148	42	,	,	PUNCT
eurjchem-2099	148	43	curvedness	curvedness	ADJ
eurjchem-2099	148	44	,	,	PUNCT
eurjchem-2099	148	45	and	and	CCONJ
eurjchem-2099	148	46	electrostatic	electrostatic	ADJ
eurjchem-2099	148	47	potential	potential	NOUN
eurjchem-2099	148	48	the	the	DET
eurjchem-2099	148	49	shape	shape	NOUN
eurjchem-2099	148	50	index	index	NOUN
eurjchem-2099	148	51	and	and	CCONJ
eurjchem-2099	148	52	curvedness	curvedness	ADJ
eurjchem-2099	148	53	are	be	AUX
eurjchem-2099	148	54	the	the	DET
eurjchem-2099	148	55	two	two	NUM
eurjchem-2099	148	56	properties	property	NOUN
eurjchem-2099	148	57	of	of	ADP
eurjchem-2099	148	58	the	the	DET
eurjchem-2099	148	59	hirshfeld	hirshfeld	PROPN
eurjchem-2099	148	60	surface	surface	NOUN
eurjchem-2099	148	61	.	.	PUNCT
eurjchem-2099	149	1	the	the	DET
eurjchem-2099	149	2	shape	shape	NOUN
eurjchem-2099	149	3	index	index	NOUN
eurjchem-2099	149	4	and	and	CCONJ
eurjchem-2099	149	5	curvedness	curvedness	ADJ
eurjchem-2099	149	6	are	be	AUX
eurjchem-2099	149	7	properties	property	NOUN
eurjchem-2099	149	8	to	to	PART
eurjchem-2099	149	9	scale	scale	VERB
eurjchem-2099	149	10	the	the	DET
eurjchem-2099	149	11	morphology	morphology	NOUN
eurjchem-2099	149	12	of	of	ADP
eurjchem-2099	149	13	the	the	DET
eurjchem-2099	149	14	crystal	crystal	NOUN
eurjchem-2099	149	15	.	.	PUNCT
eurjchem-2099	150	1	the	the	DET
eurjchem-2099	150	2	shape	shape	NOUN
eurjchem-2099	150	3	index	index	NOUN
eurjchem-2099	150	4	is	be	AUX
eurjchem-2099	150	5	a	a	DET
eurjchem-2099	150	6	measure	measure	NOUN
eurjchem-2099	150	7	of	of	ADP
eurjchem-2099	150	8	‘	'	PUNCT
eurjchem-2099	150	9	which	which	DET
eurjchem-2099	150	10	shape	shape	NOUN
eurjchem-2099	150	11	’	'	PUNCT
eurjchem-2099	150	12	[	[	X
eurjchem-2099	150	13	39	39	NUM
eurjchem-2099	150	14	]	]	PUNCT
eurjchem-2099	150	15	.	.	PUNCT
eurjchem-2099	151	1	the	the	DET
eurjchem-2099	151	2	shape	shape	NOUN
eurjchem-2099	151	3	index	index	NOUN
eurjchem-2099	151	4	map	map	NOUN
eurjchem-2099	151	5	can	can	AUX
eurjchem-2099	151	6	be	be	AUX
eurjchem-2099	151	7	used	use	VERB
eurjchem-2099	151	8	to	to	PART
eurjchem-2099	151	9	identify	identify	VERB
eurjchem-2099	151	10	the	the	DET
eurjchem-2099	151	11	complementary	complementary	ADJ
eurjchem-2099	151	12	pairs	pair	NOUN
eurjchem-2099	151	13	(	(	PUNCT
eurjchem-2099	151	14	red	red	ADJ
eurjchem-2099	151	15	colored	color	VERB
eurjchem-2099	151	16	hollows	hollow	NOUN
eurjchem-2099	151	17	and	and	CCONJ
eurjchem-2099	151	18	blue	blue	ADJ
eurjchem-2099	151	19	-	-	PUNCT
eurjchem-2099	151	20	colored	colored	ADJ
eurjchem-2099	151	21	bumps	bump	NOUN
eurjchem-2099	151	22	)	)	PUNCT
eurjchem-2099	151	23	where	where	SCONJ
eurjchem-2099	151	24	two	two	NUM
eurjchem-2099	151	25	surfaces	surface	NOUN
eurjchem-2099	151	26	touch	touch	VERB
eurjchem-2099	151	27	each	each	DET
eurjchem-2099	151	28	other	other	ADJ
eurjchem-2099	151	29	.	.	PUNCT
eurjchem-2099	152	1	these	these	DET
eurjchem-2099	152	2	triangular	triangular	NOUN
eurjchem-2099	152	3	patterns	pattern	NOUN
eurjchem-2099	152	4	of	of	ADP
eurjchem-2099	152	5	hollows	hollow	NOUN
eurjchem-2099	152	6	and	and	CCONJ
eurjchem-2099	152	7	bumps	bump	NOUN
eurjchem-2099	152	8	on	on	ADP
eurjchem-2099	152	9	the	the	DET
eurjchem-2099	152	10	shape	shape	NOUN
eurjchem-2099	152	11	index	index	NOUN
eurjchem-2099	152	12	surface	surface	NOUN
eurjchem-2099	152	13	shed	shed	VERB
eurjchem-2099	152	14	light	light	NOUN
eurjchem-2099	152	15	on	on	ADP
eurjchem-2099	152	16	close	close	ADJ
eurjchem-2099	152	17	interplanar	interplanar	ADJ
eurjchem-2099	152	18	contacts	contact	NOUN
eurjchem-2099	152	19	.	.	PUNCT
eurjchem-2099	153	1	proper	proper	ADJ
eurjchem-2099	153	2	triangular	triangular	NOUN
eurjchem-2099	153	3	patterns	pattern	NOUN
eurjchem-2099	153	4	are	be	AUX
eurjchem-2099	153	5	not	not	PART
eurjchem-2099	153	6	observed	observe	VERB
eurjchem-2099	153	7	on	on	ADP
eurjchem-2099	153	8	the	the	DET
eurjchem-2099	153	9	shape	shape	NOUN
eurjchem-2099	153	10	index	index	NOUN
eurjchem-2099	153	11	map	map	NOUN
eurjchem-2099	153	12	.	.	PUNCT
eurjchem-2099	154	1	curvedness	curvedness	ADJ
eurjchem-2099	154	2	is	be	AUX
eurjchem-2099	154	3	a	a	DET
eurjchem-2099	154	4	measure	measure	NOUN
eurjchem-2099	154	5	of	of	ADP
eurjchem-2099	154	6	‘	'	PUNCT
eurjchem-2099	154	7	how	how	SCONJ
eurjchem-2099	154	8	much	much	ADJ
eurjchem-2099	154	9	shape	shape	NOUN
eurjchem-2099	154	10	’	'	PUNCT
eurjchem-2099	154	11	.	.	PUNCT
eurjchem-2099	155	1	the	the	DET
eurjchem-2099	155	2	flat	flat	ADJ
eurjchem-2099	155	3	regions	region	NOUN
eurjchem-2099	155	4	correspond	correspond	VERB
eurjchem-2099	155	5	to	to	ADP
eurjchem-2099	155	6	low	low	ADJ
eurjchem-2099	155	7	values	value	NOUN
eurjchem-2099	155	8	of	of	ADP
eurjchem-2099	155	9	curvedness	curvedness	ADJ
eurjchem-2099	155	10	and	and	CCONJ
eurjchem-2099	155	11	explicate	explicate	VERB
eurjchem-2099	155	12	the	the	DET
eurjchem-2099	155	13	characteristic	characteristic	ADJ
eurjchem-2099	155	14	arrangement	arrangement	NOUN
eurjchem-2099	155	15	of	of	ADP
eurjchem-2099	155	16	planar	planar	ADJ
eurjchem-2099	155	17	stacking	stacking	NOUN
eurjchem-2099	155	18	of	of	ADP
eurjchem-2099	155	19	the	the	DET
eurjchem-2099	155	20	molecules	molecule	NOUN
eurjchem-2099	155	21	in	in	ADP
eurjchem-2099	155	22	the	the	DET
eurjchem-2099	155	23	crystal	crystal	NOUN
eurjchem-2099	156	1	[	[	X
eurjchem-2099	156	2	40	40	NUM
eurjchem-2099	156	3	]	]	PUNCT
eurjchem-2099	156	4	.	.	PUNCT
eurjchem-2099	157	1	sharp	sharp	ADJ
eurjchem-2099	157	2	regions	region	NOUN
eurjchem-2099	157	3	on	on	ADP
eurjchem-2099	157	4	the	the	DET
eurjchem-2099	157	5	plot	plot	NOUN
eurjchem-2099	157	6	show	show	VERB
eurjchem-2099	157	7	the	the	DET
eurjchem-2099	157	8	high	high	ADJ
eurjchem-2099	157	9	values	value	NOUN
eurjchem-2099	157	10	of	of	ADP
eurjchem-2099	157	11	curvedness	curvedness	ADJ
eurjchem-2099	157	12	.	.	PUNCT
eurjchem-2099	158	1	the	the	DET
eurjchem-2099	158	2	molecule	molecule	NOUN
eurjchem-2099	158	3	shows	show	VERB
eurjchem-2099	158	4	flat	flat	ADJ
eurjchem-2099	158	5	regions	region	NOUN
eurjchem-2099	158	6	on	on	ADP
eurjchem-2099	158	7	the	the	DET
eurjchem-2099	158	8	curvedness	curvedness	ADJ
eurjchem-2099	158	9	map	map	NOUN
eurjchem-2099	158	10	indicating	indicate	VERB
eurjchem-2099	158	11	the	the	DET
eurjchem-2099	158	12	planar	planar	ADJ
eurjchem-2099	158	13	arrangement	arrangement	NOUN
eurjchem-2099	158	14	.	.	PUNCT
eurjchem-2099	159	1	electrostatic	electrostatic	ADJ
eurjchem-2099	159	2	potential	potential	ADJ
eurjchem-2099	159	3	map	map	NOUN
eurjchem-2099	159	4	on	on	ADP
eurjchem-2099	159	5	the	the	DET
eurjchem-2099	159	6	hirshfeld	hirshfeld	PROPN
eurjchem-2099	159	7	surface	surface	NOUN
eurjchem-2099	159	8	indicates	indicate	VERB
eurjchem-2099	159	9	the	the	DET
eurjchem-2099	159	10	complementarity	complementarity	NOUN
eurjchem-2099	159	11	between	between	ADP
eurjchem-2099	159	12	the	the	DET
eurjchem-2099	159	13	adjacent	adjacent	ADJ
eurjchem-2099	159	14	molecules	molecule	NOUN
eurjchem-2099	159	15	.	.	PUNCT
eurjchem-2099	160	1	the	the	DET
eurjchem-2099	160	2	red	red	ADJ
eurjchem-2099	160	3	and	and	CCONJ
eurjchem-2099	160	4	blue	blue	ADJ
eurjchem-2099	160	5	colored	colored	ADJ
eurjchem-2099	160	6	regions	region	NOUN
eurjchem-2099	160	7	on	on	ADP
eurjchem-2099	160	8	the	the	DET
eurjchem-2099	160	9	electrostatic	electrostatic	ADJ
eurjchem-2099	160	10	potential	potential	ADJ
eurjchem-2099	160	11	map	map	NOUN
eurjchem-2099	160	12	show	show	VERB
eurjchem-2099	160	13	the	the	DET
eurjchem-2099	160	14	hydrogen	hydrogen	NOUN
eurjchem-2099	160	15	bond	bond	NOUN
eurjchem-2099	160	16	acceptors	acceptor	NOUN
eurjchem-2099	160	17	and	and	CCONJ
eurjchem-2099	160	18	hydrogen	hydrogen	NOUN
eurjchem-2099	160	19	bond	bond	NOUN
eurjchem-2099	160	20	donors	donor	NOUN
eurjchem-2099	160	21	respectively	respectively	ADV
eurjchem-2099	160	22	.	.	PUNCT
eurjchem-2099	161	1	the	the	DET
eurjchem-2099	161	2	red	red	ADJ
eurjchem-2099	161	3	colored	colored	ADJ
eurjchem-2099	161	4	regions	region	NOUN
eurjchem-2099	161	5	are	be	AUX
eurjchem-2099	161	6	present	present	ADJ
eurjchem-2099	161	7	around	around	ADP
eurjchem-2099	161	8	the	the	DET
eurjchem-2099	161	9	oxygen	oxygen	NOUN
eurjchem-2099	161	10	atom	atom	NOUN
eurjchem-2099	161	11	showing	show	VERB
eurjchem-2099	161	12	the	the	DET
eurjchem-2099	161	13	hydrogen	hydrogen	NOUN
eurjchem-2099	161	14	bond	bond	NOUN
eurjchem-2099	161	15	acceptor	acceptor	NOUN
eurjchem-2099	161	16	.	.	PUNCT
eurjchem-2099	162	1	fragment	fragment	NOUN
eurjchem-2099	162	2	patches	patch	NOUN
eurjchem-2099	162	3	on	on	ADP
eurjchem-2099	162	4	the	the	DET
eurjchem-2099	162	5	hirshfeld	hirshfeld	PROPN
eurjchem-2099	162	6	surface	surface	NOUN
eurjchem-2099	162	7	show	show	VERB
eurjchem-2099	162	8	the	the	DET
eurjchem-2099	162	9	molecular	molecular	ADJ
eurjchem-2099	162	10	interactions	interaction	NOUN
eurjchem-2099	162	11	corresponding	correspond	VERB
eurjchem-2099	162	12	to	to	ADP
eurjchem-2099	162	13	their	their	PRON
eurjchem-2099	162	14	coordination	coordination	NOUN
eurjchem-2099	162	15	number	number	NOUN
eurjchem-2099	162	16	.	.	PUNCT
eurjchem-2099	163	1	hirshfeld	hirshfeld	PROPN
eurjchem-2099	163	2	surfaces	surface	NOUN
eurjchem-2099	163	3	mapped	map	VERB
eurjchem-2099	163	4	with	with	ADP
eurjchem-2099	163	5	shape	shape	NOUN
eurjchem-2099	163	6	index	index	NOUN
eurjchem-2099	163	7	,	,	PUNCT
eurjchem-2099	163	8	curvedness	curvedness	ADJ
eurjchem-2099	163	9	,	,	PUNCT
eurjchem-2099	163	10	electrostatic	electrostatic	ADJ
eurjchem-2099	163	11	potential	potential	NOUN
eurjchem-2099	163	12	,	,	PUNCT
eurjchem-2099	163	13	and	and	CCONJ
eurjchem-2099	163	14	fragment	fragment	ADJ
eurjchem-2099	163	15	patches	patch	NOUN
eurjchem-2099	163	16	are	be	AUX
eurjchem-2099	163	17	shown	show	VERB
eurjchem-2099	163	18	in	in	ADP
eurjchem-2099	163	19	figure	figure	NOUN
eurjchem-2099	163	20	7	7	NUM
eurjchem-2099	163	21	.	.	ADP
eurjchem-2099	163	22	3.4	3.4	NUM
eurjchem-2099	163	23	.	.	PUNCT
eurjchem-2099	164	1	3d	3d	NUM
eurjchem-2099	164	2	energy	energy	NOUN
eurjchem-2099	164	3	frameworks	framework	NOUN
eurjchem-2099	164	4	the	the	DET
eurjchem-2099	164	5	energy	energy	NOUN
eurjchem-2099	164	6	frame	frame	NOUN
eurjchem-2099	164	7	works	work	NOUN
eurjchem-2099	164	8	gives	give	VERB
eurjchem-2099	164	9	insight	insight	NOUN
eurjchem-2099	164	10	about	about	ADP
eurjchem-2099	164	11	the	the	DET
eurjchem-2099	164	12	supramolecular	supramolecular	ADJ
eurjchem-2099	164	13	association	association	NOUN
eurjchem-2099	164	14	of	of	ADP
eurjchem-2099	164	15	the	the	DET
eurjchem-2099	164	16	molecules	molecule	NOUN
eurjchem-2099	164	17	in	in	ADP
eurjchem-2099	164	18	the	the	DET
eurjchem-2099	164	19	crystal	crystal	NOUN
eurjchem-2099	164	20	.	.	PUNCT
eurjchem-2099	165	1	the	the	DET
eurjchem-2099	165	2	energy	energy	NOUN
eurjchem-2099	165	3	framework	framework	NOUN
eurjchem-2099	165	4	calculations	calculation	NOUN
eurjchem-2099	165	5	were	be	AUX
eurjchem-2099	165	6	performed	perform	VERB
eurjchem-2099	165	7	using	use	VERB
eurjchem-2099	165	8	crystal	crystal	NOUN
eurjchem-2099	165	9	explorer17.5	explorer17.5	ADJ
eurjchem-2099	165	10	software	software	NOUN
eurjchem-2099	166	1	[	[	X
eurjchem-2099	166	2	38	38	NUM
eurjchem-2099	166	3	]	]	PUNCT
eurjchem-2099	166	4	by	by	ADP
eurjchem-2099	166	5	employing	employ	VERB
eurjchem-2099	166	6	symmetry	symmetry	NOUN
eurjchem-2099	166	7	operations	operation	NOUN
eurjchem-2099	166	8	using	use	VERB
eurjchem-2099	166	9	the	the	DET
eurjchem-2099	166	10	b3lyp/6	b3lyp/6	NOUN
eurjchem-2099	166	11	-	-	NOUN
eurjchem-2099	166	12	31g(d	31g(d	PROPN
eurjchem-2099	166	13	,	,	PUNCT
eurjchem-2099	166	14	p	p	NOUN
eurjchem-2099	166	15	)	)	PUNCT
eurjchem-2099	166	16	functional	functional	ADJ
eurjchem-2099	166	17	basis	basis	NOUN
eurjchem-2099	166	18	set	set	NOUN
eurjchem-2099	166	19	.	.	PUNCT
eurjchem-2099	167	1	a	a	DET
eurjchem-2099	167	2	cluster	cluster	NOUN
eurjchem-2099	167	3	of	of	ADP
eurjchem-2099	167	4	molecules	molecule	NOUN
eurjchem-2099	167	5	within	within	ADP
eurjchem-2099	167	6	a	a	DET
eurjchem-2099	167	7	radius	radius	NOUN
eurjchem-2099	167	8	of	of	ADP
eurjchem-2099	167	9	3.8	3.8	NUM
eurjchem-2099	167	10	å	å	NOUN
eurjchem-2099	167	11	was	be	AUX
eurjchem-2099	167	12	generated	generate	VERB
eurjchem-2099	167	13	around	around	ADP
eurjchem-2099	167	14	a	a	DET
eurjchem-2099	167	15	molecule	molecule	NOUN
eurjchem-2099	167	16	.	.	PUNCT
eurjchem-2099	168	1	the	the	DET
eurjchem-2099	168	2	molecules	molecule	NOUN
eurjchem-2099	168	3	involved	involve	VERB
eurjchem-2099	168	4	in	in	ADP
eurjchem-2099	168	5	the	the	DET
eurjchem-2099	168	6	calculation	calculation	NOUN
eurjchem-2099	168	7	of	of	ADP
eurjchem-2099	168	8	interaction	interaction	NOUN
eurjchem-2099	168	9	energies	energy	NOUN
eurjchem-2099	168	10	along	along	ADP
eurjchem-2099	168	11	the	the	DET
eurjchem-2099	168	12	c	c	NOUN
eurjchem-2099	168	13	axis	axis	NOUN
eurjchem-2099	168	14	is	be	AUX
eurjchem-2099	168	15	shown	show	VERB
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eurjchem-2099	168	18	8	8	NUM
eurjchem-2099	168	19	.	.	PUNCT
eurjchem-2099	169	1	the	the	DET
eurjchem-2099	169	2	electrostatic	electrostatic	ADJ
eurjchem-2099	169	3	polarization	polarization	NOUN
eurjchem-2099	169	4	,	,	PUNCT
eurjchem-2099	169	5	dispersion	dispersion	NOUN
eurjchem-2099	169	6	,	,	PUNCT
eurjchem-2099	169	7	and	and	CCONJ
eurjchem-2099	169	8	repulsion	repulsion	NOUN
eurjchem-2099	169	9	energies	energy	NOUN
eurjchem-2099	169	10	between	between	ADP
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eurjchem-2099	169	12	molecular	molecular	ADJ
eurjchem-2099	169	13	pairs	pair	NOUN
eurjchem-2099	169	14	were	be	AUX
eurjchem-2099	169	15	calculated	calculate	VERB
eurjchem-2099	169	16	and	and	CCONJ
eurjchem-2099	169	17	listed	list	VERB
eurjchem-2099	169	18	in	in	ADP
eurjchem-2099	169	19	table	table	NOUN
eurjchem-2099	169	20	3	3	NUM
eurjchem-2099	169	21	.	.	PUNCT
eurjchem-2099	170	1	the	the	DET
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eurjchem-2099	170	6	between	between	ADP
eurjchem-2099	170	7	the	the	DET
eurjchem-2099	170	8	mean	mean	ADJ
eurjchem-2099	170	9	atomic	atomic	ADJ
eurjchem-2099	170	10	positions	position	NOUN
eurjchem-2099	170	11	(	(	PUNCT
eurjchem-2099	170	12	molecular	molecular	ADJ
eurjchem-2099	170	13	centroids	centroid	NOUN
eurjchem-2099	170	14	)	)	PUNCT
eurjchem-2099	170	15	.	.	PUNCT
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eurjchem-2099	171	8	for	for	ADP
eurjchem-2099	171	9	b3lyp/6	b3lyp/6	NOUN
eurjchem-2099	171	10	-	-	NOUN
eurjchem-2099	171	11	31g(d	31g(d	PROPN
eurjchem-2099	171	12	,	,	PUNCT
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eurjchem-2099	171	19	,	,	PUNCT
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eurjchem-2099	171	21	=	=	PROPN
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eurjchem-2099	171	23	,	,	PUNCT
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eurjchem-2099	171	25	=	=	NOUN
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eurjchem-2099	172	2	41	41	NUM
eurjchem-2099	172	3	]	]	PUNCT
eurjchem-2099	172	4	.	.	PUNCT
eurjchem-2099	173	1	308	308	NUM
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eurjchem-2099	173	12	(	(	PUNCT
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eurjchem-2099	173	15	(	(	PUNCT
eurjchem-2099	173	16	2021	2021	NUM
eurjchem-2099	173	17	)	)	PUNCT
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eurjchem-2099	173	19	-	-	SYM
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eurjchem-2099	173	22	–	–	PUNCT
eurjchem-2099	173	23	european	european	ADJ
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eurjchem-2099	173	25	of	of	ADP
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eurjchem-2099	173	27	–	–	PUNCT
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eurjchem-2099	173	31	–	–	PUNCT
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eurjchem-2099	173	39	(	(	PUNCT
eurjchem-2099	173	40	a	a	NOUN
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eurjchem-2099	173	42	(	(	PUNCT
eurjchem-2099	173	43	a1	a1	PROPN
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eurjchem-2099	173	49	b1	b1	PROPN
eurjchem-2099	173	50	)	)	PUNCT
eurjchem-2099	173	51	(	(	PUNCT
eurjchem-2099	173	52	c	c	X
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eurjchem-2099	173	54	(	(	PUNCT
eurjchem-2099	173	55	c1	c1	NOUN
eurjchem-2099	173	56	)	)	PUNCT
eurjchem-2099	173	57	(	(	PUNCT
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eurjchem-2099	173	60	(	(	PUNCT
eurjchem-2099	173	61	d1	d1	NOUN
eurjchem-2099	173	62	)	)	PUNCT
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eurjchem-2099	173	64	6	6	NUM
eurjchem-2099	173	65	.	.	PUNCT
eurjchem-2099	174	1	the	the	DET
eurjchem-2099	174	2	2d	2d	PROPN
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eurjchem-2099	174	11	.	.	PUNCT
eurjchem-2099	175	1	(	(	PUNCT
eurjchem-2099	175	2	a	a	X
eurjchem-2099	175	3	)	)	PUNCT
eurjchem-2099	175	4	,	,	PUNCT
eurjchem-2099	175	5	(	(	PUNCT
eurjchem-2099	175	6	b	b	NOUN
eurjchem-2099	175	7	)	)	PUNCT
eurjchem-2099	175	8	,	,	PUNCT
eurjchem-2099	175	9	(	(	PUNCT
eurjchem-2099	175	10	c	c	NOUN
eurjchem-2099	175	11	)	)	PUNCT
eurjchem-2099	175	12	,	,	PUNCT
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eurjchem-2099	175	14	(	(	PUNCT
eurjchem-2099	175	15	d	d	X
eurjchem-2099	175	16	)	)	PUNCT
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eurjchem-2099	175	21	o	o	NOUN
eurjchem-2099	175	22	-	-	NOUN
eurjchem-2099	175	23	h	h	ADJ
eurjchem-2099	175	24	,	,	PUNCT
eurjchem-2099	175	25	h	h	NOUN
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eurjchem-2099	175	27	h	h	NOUN
eurjchem-2099	175	28	,	,	PUNCT
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eurjchem-2099	175	30	-	-	PUNCT
eurjchem-2099	175	31	h	h	NOUN
eurjchem-2099	175	32	,	,	PUNCT
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eurjchem-2099	176	1	f	f	X
eurjchem-2099	176	2	-	-	PUNCT
eurjchem-2099	176	3	h	h	NOUN
eurjchem-2099	176	4	,	,	PUNCT
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eurjchem-2099	176	6	.	.	PUNCT
eurjchem-2099	177	1	(	(	PUNCT
eurjchem-2099	177	2	a1	a1	NOUN
eurjchem-2099	177	3	)	)	PUNCT
eurjchem-2099	177	4	,	,	PUNCT
eurjchem-2099	177	5	(	(	PUNCT
eurjchem-2099	177	6	b1	b1	NOUN
eurjchem-2099	177	7	)	)	PUNCT
eurjchem-2099	177	8	,	,	PUNCT
eurjchem-2099	177	9	(	(	PUNCT
eurjchem-2099	177	10	c1	c1	PROPN
eurjchem-2099	177	11	)	)	PUNCT
eurjchem-2099	177	12	,	,	PUNCT
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eurjchem-2099	177	14	(	(	PUNCT
eurjchem-2099	177	15	d1	d1	NOUN
eurjchem-2099	177	16	)	)	PUNCT
eurjchem-2099	177	17	represent	represent	VERB
eurjchem-2099	177	18	the	the	DET
eurjchem-2099	177	19	corresponding	correspond	VERB
eurjchem-2099	177	20	dnorm	dnorm	NOUN
eurjchem-2099	177	21	surfaces	surface	NOUN
eurjchem-2099	177	22	,	,	PUNCT
eurjchem-2099	177	23	respectively	respectively	ADV
eurjchem-2099	177	24	.	.	PUNCT
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eurjchem-2099	177	29	potential	potential	ADJ
eurjchem-2099	177	30	fragment	fragment	NOUN
eurjchem-2099	177	31	patches	patch	NOUN
eurjchem-2099	177	32	figure	figure	VERB
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eurjchem-2099	177	34	.	.	PUNCT
eurjchem-2099	178	1	hirshfeld	hirshfeld	PROPN
eurjchem-2099	178	2	surface	surface	PROPN
eurjchem-2099	178	3	mapped	map	VERB
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eurjchem-2099	178	6	index	index	NOUN
eurjchem-2099	178	7	,	,	PUNCT
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eurjchem-2099	178	9	,	,	PUNCT
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eurjchem-2099	178	12	,	,	PUNCT
eurjchem-2099	178	13	and	and	CCONJ
eurjchem-2099	178	14	fragment	fragment	ADJ
eurjchem-2099	178	15	patches	patch	NOUN
eurjchem-2099	178	16	.	.	PUNCT
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eurjchem-2099	179	4	.	.	PUNCT
eurjchem-2099	179	5	/	/	SYM
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eurjchem-2099	179	11	(	(	PUNCT
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eurjchem-2099	179	14	(	(	PUNCT
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eurjchem-2099	179	16	)	)	PUNCT
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eurjchem-2099	179	21	2021	2021	NUM
eurjchem-2099	179	22	–	–	PUNCT
eurjchem-2099	179	23	european	european	ADJ
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eurjchem-2099	179	27	–	–	PUNCT
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eurjchem-2099	179	31	–	–	PUNCT
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eurjchem-2099	179	33	:	:	PUNCT
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eurjchem-2099	179	37	-	-	SYM
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eurjchem-2099	179	41	.	.	PUNCT
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eurjchem-2099	180	9	/	/	SYM
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eurjchem-2099	180	19	e_pol	e_pol	PROPN
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eurjchem-2099	180	23	1	1	NUM
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eurjchem-2099	180	25	,	,	PUNCT
eurjchem-2099	180	26	y	y	PROPN
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eurjchem-2099	180	31	-	-	NOUN
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eurjchem-2099	180	33	,	,	PUNCT
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eurjchem-2099	180	41	2	2	NUM
eurjchem-2099	180	42	x	x	NOUN
eurjchem-2099	180	43	,	,	PUNCT
eurjchem-2099	180	44	-y+1/2	-y+1/2	PROPN
eurjchem-2099	180	45	,	,	PUNCT
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eurjchem-2099	180	49	-	-	NOUN
eurjchem-2099	180	50	31g(d	31g(d	PROPN
eurjchem-2099	180	51	,	,	PUNCT
eurjchem-2099	180	52	p	p	NOUN
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eurjchem-2099	186	2	pictorial	pictorial	ADJ
eurjchem-2099	186	3	representation	representation	NOUN
eurjchem-2099	186	4	of	of	ADP
eurjchem-2099	186	5	coulomb	coulomb	NOUN
eurjchem-2099	186	6	energy	energy	NOUN
eurjchem-2099	186	7	,	,	PUNCT
eurjchem-2099	186	8	dispersion	dispersion	NOUN
eurjchem-2099	186	9	energy	energy	NOUN
eurjchem-2099	186	10	,	,	PUNCT
eurjchem-2099	186	11	and	and	CCONJ
eurjchem-2099	186	12	the	the	DET
eurjchem-2099	186	13	total	total	ADJ
eurjchem-2099	186	14	interaction	interaction	NOUN
eurjchem-2099	186	15	energy	energy	NOUN
eurjchem-2099	186	16	of	of	ADP
eurjchem-2099	186	17	the	the	DET
eurjchem-2099	186	18	molecule	molecule	NOUN
eurjchem-2099	186	19	viewed	view	VERB
eurjchem-2099	186	20	along	along	ADP
eurjchem-2099	186	21	a	a	DET
eurjchem-2099	186	22	,	,	PUNCT
eurjchem-2099	186	23	b	b	NOUN
eurjchem-2099	186	24	,	,	PUNCT
eurjchem-2099	186	25	and	and	CCONJ
eurjchem-2099	186	26	c	c	PROPN
eurjchem-2099	186	27	axis	axis	NOUN
eurjchem-2099	186	28	is	be	AUX
eurjchem-2099	186	29	shown	show	VERB
eurjchem-2099	186	30	in	in	ADP
eurjchem-2099	186	31	green	green	ADJ
eurjchem-2099	186	32	,	,	PUNCT
eurjchem-2099	186	33	red	red	ADJ
eurjchem-2099	186	34	,	,	PUNCT
eurjchem-2099	186	35	and	and	CCONJ
eurjchem-2099	186	36	blue	blue	ADJ
eurjchem-2099	186	37	colors	color	NOUN
eurjchem-2099	186	38	respectively	respectively	ADV
eurjchem-2099	186	39	and	and	CCONJ
eurjchem-2099	186	40	are	be	AUX
eurjchem-2099	186	41	displayed	display	VERB
eurjchem-2099	186	42	in	in	ADP
eurjchem-2099	186	43	figure	figure	NOUN
eurjchem-2099	186	44	9	9	NUM
eurjchem-2099	186	45	.	.	PUNCT
eurjchem-2099	187	1	the	the	DET
eurjchem-2099	187	2	different	different	ADJ
eurjchem-2099	187	3	interaction	interaction	NOUN
eurjchem-2099	187	4	energies	energy	NOUN
eurjchem-2099	187	5	viz	viz	VERB
eurjchem-2099	187	6	.	.	PROPN
eurjchem-2099	187	7	,	,	PUNCT
eurjchem-2099	187	8	electrostatic	electrostatic	ADJ
eurjchem-2099	187	9	,	,	PUNCT
eurjchem-2099	187	10	dispersion	dispersion	NOUN
eurjchem-2099	187	11	,	,	PUNCT
eurjchem-2099	187	12	polarization	polarization	NOUN
eurjchem-2099	187	13	,	,	PUNCT
eurjchem-2099	187	14	and	and	CCONJ
eurjchem-2099	187	15	repulsion	repulsion	NOUN
eurjchem-2099	187	16	energies	energy	NOUN
eurjchem-2099	187	17	are	be	AUX
eurjchem-2099	187	18	-163.2	-163.2	PROPN
eurjchem-2099	187	19	,	,	PUNCT
eurjchem-2099	187	20	-134.2	-134.2	PROPN
eurjchem-2099	187	21	,	,	PUNCT
eurjchem-2099	187	22	-43.5	-43.5	PROPN
eurjchem-2099	187	23	,	,	PUNCT
eurjchem-2099	187	24	and	and	CCONJ
eurjchem-2099	187	25	220.3	220.3	NUM
eurjchem-2099	187	26	kj	kj	PROPN
eurjchem-2099	187	27	/	/	SYM
eurjchem-2099	187	28	mol	mol	PROPN
eurjchem-2099	187	29	,	,	PUNCT
eurjchem-2099	187	30	respectively	respectively	ADV
eurjchem-2099	187	31	.	.	PUNCT
eurjchem-2099	188	1	the	the	DET
eurjchem-2099	188	2	total	total	ADJ
eurjchem-2099	188	3	energy	energy	NOUN
eurjchem-2099	188	4	is	be	AUX
eurjchem-2099	188	5	-186.1	-186.1	PROPN
eurjchem-2099	188	6	kj	kj	PROPN
eurjchem-2099	188	7	/	/	SYM
eurjchem-2099	188	8	mol	mol	PROPN
eurjchem-2099	188	9	.	.	PUNCT
eurjchem-2099	189	1	the	the	DET
eurjchem-2099	189	2	electrostatic	electrostatic	ADJ
eurjchem-2099	189	3	energy	energy	NOUN
eurjchem-2099	189	4	dominates	dominate	VERB
eurjchem-2099	189	5	over	over	ADP
eurjchem-2099	189	6	the	the	DET
eurjchem-2099	189	7	dispersion	dispersion	NOUN
eurjchem-2099	189	8	energy	energy	NOUN
eurjchem-2099	189	9	.	.	PUNCT
eurjchem-2099	190	1	the	the	DET
eurjchem-2099	190	2	lattice	lattice	PROPN
eurjchem-2099	190	3	energy	energy	NOUN
eurjchem-2099	190	4	of	of	ADP
eurjchem-2099	190	5	the	the	DET
eurjchem-2099	190	6	molecule	molecule	NOUN
eurjchem-2099	190	7	is	be	AUX
eurjchem-2099	190	8	-69.85	-69.85	PROPN
eurjchem-2099	190	9	kj	kj	PROPN
eurjchem-2099	190	10	/	/	SYM
eurjchem-2099	190	11	mol	mol	PROPN
eurjchem-2099	190	12	.	.	PUNCT
eurjchem-2099	191	1	the	the	DET
eurjchem-2099	191	2	cylinders	cylinder	NOUN
eurjchem-2099	191	3	in	in	ADP
eurjchem-2099	191	4	the	the	DET
eurjchem-2099	191	5	energy	energy	NOUN
eurjchem-2099	191	6	framework	framework	NOUN
eurjchem-2099	191	7	depict	depict	VERB
eurjchem-2099	191	8	the	the	DET
eurjchem-2099	191	9	relative	relative	ADJ
eurjchem-2099	191	10	strengths	strength	NOUN
eurjchem-2099	191	11	of	of	ADP
eurjchem-2099	191	12	the	the	DET
eurjchem-2099	191	13	molecular	molecular	ADJ
eurjchem-2099	191	14	packing	packing	NOUN
eurjchem-2099	191	15	and	and	CCONJ
eurjchem-2099	191	16	the	the	DET
eurjchem-2099	191	17	associated	associated	ADJ
eurjchem-2099	191	18	energies	energy	NOUN
eurjchem-2099	191	19	between	between	ADP
eurjchem-2099	191	20	the	the	DET
eurjchem-2099	191	21	molecular	molecular	ADJ
eurjchem-2099	191	22	pairs	pair	NOUN
eurjchem-2099	191	23	in	in	ADP
eurjchem-2099	191	24	different	different	ADJ
eurjchem-2099	191	25	directions	direction	NOUN
eurjchem-2099	192	1	[	[	X
eurjchem-2099	192	2	42	42	NUM
eurjchem-2099	192	3	]	]	PUNCT
eurjchem-2099	192	4	.	.	PUNCT
eurjchem-2099	193	1	the	the	DET
eurjchem-2099	193	2	absence	absence	NOUN
eurjchem-2099	193	3	of	of	ADP
eurjchem-2099	193	4	cylinders	cylinder	NOUN
eurjchem-2099	193	5	along	along	ADP
eurjchem-2099	193	6	a	a	DET
eurjchem-2099	193	7	particular	particular	ADJ
eurjchem-2099	193	8	direction	direction	NOUN
eurjchem-2099	193	9	is	be	AUX
eurjchem-2099	193	10	due	due	ADJ
eurjchem-2099	193	11	to	to	ADP
eurjchem-2099	193	12	weak	weak	ADJ
eurjchem-2099	193	13	interactions	interaction	NOUN
eurjchem-2099	193	14	below	below	ADP
eurjchem-2099	193	15	a	a	DET
eurjchem-2099	193	16	threshold	threshold	NOUN
eurjchem-2099	193	17	energy	energy	NOUN
eurjchem-2099	193	18	and	and	CCONJ
eurjchem-2099	193	19	they	they	PRON
eurjchem-2099	193	20	are	be	AUX
eurjchem-2099	193	21	omitted	omit	VERB
eurjchem-2099	193	22	for	for	ADP
eurjchem-2099	193	23	the	the	DET
eurjchem-2099	193	24	less	less	ADV
eurjchem-2099	193	25	crowded	crowded	ADJ
eurjchem-2099	193	26	appearance	appearance	NOUN
eurjchem-2099	193	27	.	.	PUNCT
eurjchem-2099	194	1	3.5	3.5	NUM
eurjchem-2099	194	2	.	.	PUNCT
eurjchem-2099	195	1	density	density	NOUN
eurjchem-2099	195	2	functional	functional	ADJ
eurjchem-2099	195	3	theory	theory	NOUN
eurjchem-2099	195	4	the	the	DET
eurjchem-2099	195	5	computational	computational	ADJ
eurjchem-2099	195	6	quantum	quantum	ADJ
eurjchem-2099	195	7	mechanical	mechanical	ADJ
eurjchem-2099	195	8	method	method	NOUN
eurjchem-2099	195	9	was	be	AUX
eurjchem-2099	195	10	employed	employ	VERB
eurjchem-2099	195	11	to	to	PART
eurjchem-2099	195	12	study	study	VERB
eurjchem-2099	195	13	the	the	DET
eurjchem-2099	195	14	electronic	electronic	ADJ
eurjchem-2099	195	15	structure	structure	NOUN
eurjchem-2099	195	16	and	and	CCONJ
eurjchem-2099	195	17	chemical	chemical	NOUN
eurjchem-2099	195	18	properties	property	NOUN
eurjchem-2099	195	19	of	of	ADP
eurjchem-2099	195	20	the	the	DET
eurjchem-2099	195	21	molecule	molecule	NOUN
eurjchem-2099	195	22	.	.	PUNCT
eurjchem-2099	196	1	the	the	DET
eurjchem-2099	196	2	quantum	quantum	ADJ
eurjchem-2099	196	3	computational	computational	ADJ
eurjchem-2099	196	4	method	method	NOUN
eurjchem-2099	196	5	,	,	PUNCT
eurjchem-2099	196	6	density	density	NOUN
eurjchem-2099	196	7	functional	functional	ADJ
eurjchem-2099	196	8	theory	theory	NOUN
eurjchem-2099	196	9	(	(	PUNCT
eurjchem-2099	196	10	dft	dft	NOUN
eurjchem-2099	196	11	)	)	PUNCT
eurjchem-2099	196	12	calculations	calculation	NOUN
eurjchem-2099	196	13	were	be	AUX
eurjchem-2099	196	14	carried	carry	VERB
eurjchem-2099	196	15	out	out	ADP
eurjchem-2099	196	16	using	use	VERB
eurjchem-2099	196	17	gamess	gamess	NOUN
eurjchem-2099	196	18	software	software	NOUN
eurjchem-2099	197	1	[	[	X
eurjchem-2099	197	2	43	43	NUM
eurjchem-2099	197	3	]	]	PUNCT
eurjchem-2099	197	4	.	.	PUNCT
eurjchem-2099	198	1	geometric	geometric	ADJ
eurjchem-2099	198	2	calculations	calculation	NOUN
eurjchem-2099	198	3	were	be	AUX
eurjchem-2099	198	4	performed	perform	VERB
eurjchem-2099	198	5	using	use	VERB
eurjchem-2099	198	6	b3lyp	b3lyp	ADP
eurjchem-2099	198	7	hybrid	hybrid	ADJ
eurjchem-2099	198	8	functionals	functional	NOUN
eurjchem-2099	198	9	with	with	ADP
eurjchem-2099	198	10	631g(d	631g(d	PROPN
eurjchem-2099	198	11	,	,	PUNCT
eurjchem-2099	198	12	p	p	NOUN
eurjchem-2099	198	13	)	)	PUNCT
eurjchem-2099	198	14	and	and	CCONJ
eurjchem-2099	198	15	6	6	NUM
eurjchem-2099	198	16	-	-	SYM
eurjchem-2099	198	17	31+g(d	31+g(d	NUM
eurjchem-2099	198	18	,	,	PUNCT
eurjchem-2099	198	19	p	p	NOUN
eurjchem-2099	198	20	)	)	PUNCT
eurjchem-2099	198	21	as	as	ADP
eurjchem-2099	198	22	basis	basis	NOUN
eurjchem-2099	198	23	sets	set	NOUN
eurjchem-2099	198	24	.	.	PUNCT
eurjchem-2099	199	1	the	the	DET
eurjchem-2099	199	2	geometry	geometry	NOUN
eurjchem-2099	199	3	optimization	optimization	NOUN
eurjchem-2099	199	4	and	and	CCONJ
eurjchem-2099	199	5	vibrational	vibrational	ADJ
eurjchem-2099	199	6	analysis	analysis	NOUN
eurjchem-2099	199	7	also	also	ADV
eurjchem-2099	199	8	were	be	AUX
eurjchem-2099	199	9	also	also	ADV
eurjchem-2099	199	10	carried	carry	VERB
eurjchem-2099	199	11	out	out	ADP
eurjchem-2099	199	12	.	.	PUNCT
eurjchem-2099	200	1	the	the	DET
eurjchem-2099	200	2	frontier	frontier	NOUN
eurjchem-2099	200	3	molecular	molecular	ADJ
eurjchem-2099	200	4	orbitals	orbital	NOUN
eurjchem-2099	200	5	;	;	PUNCT
eurjchem-2099	200	6	highest	highest	ADV
eurjchem-2099	200	7	occupied	occupy	VERB
eurjchem-2099	200	8	molecular	molecular	ADJ
eurjchem-2099	200	9	orbitals	orbital	NOUN
eurjchem-2099	200	10	(	(	PUNCT
eurjchem-2099	200	11	homo	homo	NOUN
eurjchem-2099	200	12	)	)	PUNCT
eurjchem-2099	200	13	and	and	CCONJ
eurjchem-2099	200	14	lowest	low	ADJ
eurjchem-2099	200	15	unoccupied	unoccupied	ADJ
eurjchem-2099	200	16	molecular	molecular	ADJ
eurjchem-2099	200	17	orbitals	orbital	NOUN
eurjchem-2099	200	18	(	(	PUNCT
eurjchem-2099	200	19	lumo	lumo	NOUN
eurjchem-2099	200	20	)	)	PUNCT
eurjchem-2099	200	21	were	be	AUX
eurjchem-2099	200	22	studied	study	VERB
eurjchem-2099	200	23	to	to	PART
eurjchem-2099	200	24	ascertain	ascertain	VERB
eurjchem-2099	200	25	the	the	DET
eurjchem-2099	200	26	chemical	chemical	ADJ
eurjchem-2099	200	27	stability	stability	NOUN
eurjchem-2099	200	28	of	of	ADP
eurjchem-2099	200	29	the	the	DET
eurjchem-2099	200	30	molecule	molecule	NOUN
eurjchem-2099	200	31	.	.	PUNCT
eurjchem-2099	201	1	the	the	DET
eurjchem-2099	201	2	theoretically	theoretically	ADV
eurjchem-2099	201	3	predicted	predict	VERB
eurjchem-2099	201	4	values	value	NOUN
eurjchem-2099	201	5	of	of	ADP
eurjchem-2099	201	6	bond	bond	NOUN
eurjchem-2099	201	7	length	length	NOUN
eurjchem-2099	201	8	,	,	PUNCT
eurjchem-2099	201	9	bond	bond	NOUN
eurjchem-2099	201	10	angles	angle	NOUN
eurjchem-2099	201	11	,	,	PUNCT
eurjchem-2099	201	12	and	and	CCONJ
eurjchem-2099	201	13	torsion	torsion	NOUN
eurjchem-2099	201	14	angles	angle	NOUN
eurjchem-2099	201	15	are	be	AUX
eurjchem-2099	201	16	in	in	ADP
eurjchem-2099	201	17	good	good	ADJ
eurjchem-2099	201	18	agreement	agreement	NOUN
eurjchem-2099	201	19	with	with	ADP
eurjchem-2099	201	20	the	the	DET
eurjchem-2099	201	21	experimental	experimental	ADJ
eurjchem-2099	201	22	values	value	NOUN
eurjchem-2099	201	23	.	.	PUNCT
eurjchem-2099	202	1	comparison	comparison	NOUN
eurjchem-2099	202	2	of	of	ADP
eurjchem-2099	202	3	theoretical	theoretical	ADJ
eurjchem-2099	202	4	and	and	CCONJ
eurjchem-2099	202	5	experimental	experimental	ADJ
eurjchem-2099	202	6	values	value	NOUN
eurjchem-2099	202	7	is	be	AUX
eurjchem-2099	202	8	listed	list	VERB
eurjchem-2099	202	9	in	in	ADP
eurjchem-2099	202	10	tables	table	NOUN
eurjchem-2099	202	11	4	4	NUM
eurjchem-2099	202	12	-	-	SYM
eurjchem-2099	202	13	6	6	NUM
eurjchem-2099	202	14	.	.	PUNCT
eurjchem-2099	203	1	it	it	PRON
eurjchem-2099	203	2	is	be	AUX
eurjchem-2099	203	3	inferred	infer	VERB
eurjchem-2099	203	4	that	that	SCONJ
eurjchem-2099	203	5	the	the	DET
eurjchem-2099	203	6	optimized	optimize	VERB
eurjchem-2099	203	7	molecule	molecule	NOUN
eurjchem-2099	203	8	is	be	AUX
eurjchem-2099	203	9	not	not	PART
eurjchem-2099	203	10	a	a	DET
eurjchem-2099	203	11	stationary	stationary	ADJ
eurjchem-2099	203	12	point	point	NOUN
eurjchem-2099	203	13	on	on	ADP
eurjchem-2099	203	14	the	the	DET
eurjchem-2099	203	15	molecular	molecular	ADJ
eurjchem-2099	203	16	potential	potential	ADJ
eurjchem-2099	203	17	energy	energy	NOUN
eurjchem-2099	203	18	surface	surface	NOUN
eurjchem-2099	203	19	.	.	PUNCT
eurjchem-2099	204	1	frequency	frequency	NOUN
eurjchem-2099	204	2	calculations	calculation	NOUN
eurjchem-2099	204	3	were	be	AUX
eurjchem-2099	204	4	performed	perform	VERB
eurjchem-2099	204	5	and	and	CCONJ
eurjchem-2099	204	6	are	be	AUX
eurjchem-2099	204	7	tabulated	tabulate	VERB
eurjchem-2099	204	8	(	(	PUNCT
eurjchem-2099	204	9	table	table	NOUN
eurjchem-2099	204	10	7	7	NUM
eurjchem-2099	204	11	)	)	PUNCT
eurjchem-2099	204	12	.	.	PUNCT
eurjchem-2099	205	1	imaginary	imaginary	ADJ
eurjchem-2099	205	2	frequencies	frequency	NOUN
eurjchem-2099	205	3	were	be	AUX
eurjchem-2099	205	4	not	not	PART
eurjchem-2099	205	5	observed	observe	VERB
eurjchem-2099	205	6	.	.	PUNCT
eurjchem-2099	206	1	the	the	DET
eurjchem-2099	206	2	optimized	optimize	VERB
eurjchem-2099	206	3	structure	structure	NOUN
eurjchem-2099	206	4	of	of	ADP
eurjchem-2099	206	5	the	the	DET
eurjchem-2099	206	6	molecule	molecule	NOUN
eurjchem-2099	206	7	is	be	AUX
eurjchem-2099	206	8	shown	show	VERB
eurjchem-2099	206	9	in	in	ADP
eurjchem-2099	206	10	figure	figure	NOUN
eurjchem-2099	206	11	10	10	NUM
eurjchem-2099	206	12	.	.	PUNCT
eurjchem-2099	207	1	310	310	NUM
eurjchem-2099	207	2	prabhuswamy	prabhuswamy	ADJ
eurjchem-2099	207	3	et	et	PROPN
eurjchem-2099	207	4	al	al	PROPN
eurjchem-2099	207	5	.	.	PUNCT
eurjchem-2099	207	6	/	/	SYM
eurjchem-2099	207	7	european	european	PROPN
eurjchem-2099	207	8	journal	journal	PROPN
eurjchem-2099	207	9	of	of	ADP
eurjchem-2099	207	10	chemistry	chemistry	NOUN
eurjchem-2099	207	11	12	12	NUM
eurjchem-2099	207	12	(	(	PUNCT
eurjchem-2099	207	13	3	3	NUM
eurjchem-2099	207	14	)	)	PUNCT
eurjchem-2099	207	15	(	(	PUNCT
eurjchem-2099	207	16	2021	2021	NUM
eurjchem-2099	207	17	)	)	PUNCT
eurjchem-2099	207	18	304	304	NUM
eurjchem-2099	207	19	-	-	SYM
eurjchem-2099	207	20	313	313	NUM
eurjchem-2099	207	21	2021	2021	NUM
eurjchem-2099	207	22	–	–	PUNCT
eurjchem-2099	207	23	european	european	ADJ
eurjchem-2099	207	24	journal	journal	NOUN
eurjchem-2099	207	25	of	of	ADP
eurjchem-2099	207	26	chemistry	chemistry	NOUN
eurjchem-2099	207	27	–	–	PUNCT
eurjchem-2099	207	28	cc	cc	NOUN
eurjchem-2099	207	29	by	by	ADP
eurjchem-2099	207	30	nc	nc	PROPN
eurjchem-2099	207	31	–	–	PUNCT
eurjchem-2099	207	32	doi	doi	PROPN
eurjchem-2099	207	33	:	:	PUNCT
eurjchem-2099	207	34	10.5155	10.5155	NUM
eurjchem-2099	207	35	/	/	SYM
eurjchem-2099	207	36	eurjchem.12.3.304	eurjchem.12.3.304	NOUN
eurjchem-2099	207	37	-	-	SYM
eurjchem-2099	207	38	313.2099	313.2099	NUM
eurjchem-2099	207	39	table	table	NOUN
eurjchem-2099	207	40	6	6	NUM
eurjchem-2099	207	41	.	.	PUNCT
eurjchem-2099	207	42	comparison	comparison	NOUN
eurjchem-2099	207	43	of	of	ADP
eurjchem-2099	207	44	torsion	torsion	NOUN
eurjchem-2099	207	45	angles	angle	NOUN
eurjchem-2099	207	46	in	in	ADP
eurjchem-2099	207	47	degree	degree	NOUN
eurjchem-2099	207	48	.	.	PUNCT
eurjchem-2099	208	1	atoms	atom	NOUN
eurjchem-2099	208	2	xrd	xrd	NOUN
eurjchem-2099	208	3	(	(	PUNCT
eurjchem-2099	208	4	°	°	PRON
eurjchem-2099	208	5	)	)	PUNCT
eurjchem-2099	208	6	dft	dft	PROPN
eurjchem-2099	208	7	(	(	PUNCT
eurjchem-2099	208	8	°	°	PROPN
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eurjchem-2099	208	13	,	,	PUNCT
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eurjchem-2099	208	15	)	)	PUNCT
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eurjchem-2099	208	17	-	-	SYM
eurjchem-2099	208	18	31+g(d	31+g(d	NUM
eurjchem-2099	208	19	,	,	PUNCT
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eurjchem-2099	208	22	c9	c9	NOUN
eurjchem-2099	208	23	-	-	PUNCT
eurjchem-2099	208	24	o8	o8	NOUN
eurjchem-2099	208	25	-	-	PUNCT
eurjchem-2099	208	26	c5	c5	PROPN
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eurjchem-2099	208	28	c4	c4	NOUN
eurjchem-2099	208	29	−176.1(1	−176.1(1	ADJ
eurjchem-2099	208	30	)	)	PUNCT
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eurjchem-2099	208	34	-	-	PUNCT
eurjchem-2099	208	35	o8	o8	NOUN
eurjchem-2099	208	36	-	-	PUNCT
eurjchem-2099	208	37	c5	c5	PROPN
eurjchem-2099	208	38	-	-	PUNCT
eurjchem-2099	208	39	c6	c6	PROPN
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eurjchem-2099	208	41	)	)	PUNCT
eurjchem-2099	208	42	1.1	1.1	NUM
eurjchem-2099	208	43	1.1	1.1	NUM
eurjchem-2099	208	44	c5	c5	PROPN
eurjchem-2099	208	45	-	-	PUNCT
eurjchem-2099	208	46	o8	o8	NOUN
eurjchem-2099	208	47	-	-	PUNCT
eurjchem-2099	208	48	c9	c9	NOUN
eurjchem-2099	208	49	-	-	PUNCT
eurjchem-2099	208	50	c10	c10	PROPN
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eurjchem-2099	208	52	)	)	PUNCT
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eurjchem-2099	208	54	178.5	178.5	NUM
eurjchem-2099	208	55	c3	c3	PROPN
eurjchem-2099	208	56	-	-	PUNCT
eurjchem-2099	208	57	c2	c2	PROPN
eurjchem-2099	208	58	-	-	PUNCT
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eurjchem-2099	208	60	-	-	PUNCT
eurjchem-2099	208	61	c6	c6	PROPN
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eurjchem-2099	208	63	)	)	PUNCT
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eurjchem-2099	208	72	c4	c4	PROPN
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eurjchem-2099	208	74	)	)	PUNCT
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eurjchem-2099	208	77	f1	f1	PROPN
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eurjchem-2099	208	80	-	-	PUNCT
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eurjchem-2099	208	83	c6	c6	PROPN
eurjchem-2099	208	84	−179.9(2	−179.9(2	PROPN
eurjchem-2099	208	85	)	)	PUNCT
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eurjchem-2099	209	3	c7	c7	PROPN
eurjchem-2099	209	4	-	-	PUNCT
eurjchem-2099	209	5	c2	c2	PROPN
eurjchem-2099	209	6	-	-	PUNCT
eurjchem-2099	209	7	c3	c3	PROPN
eurjchem-2099	209	8	-	-	PUNCT
eurjchem-2099	209	9	c4	c4	NOUN
eurjchem-2099	209	10	1.2(3	1.2(3	NOUN
eurjchem-2099	209	11	)	)	PUNCT
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eurjchem-2099	209	13	0.0	0.0	NUM
eurjchem-2099	209	14	c2	c2	PROPN
eurjchem-2099	209	15	-	-	PUNCT
eurjchem-2099	209	16	c3	c3	PROPN
eurjchem-2099	209	17	-	-	PUNCT
eurjchem-2099	209	18	c4	c4	NOUN
eurjchem-2099	209	19	-	-	PUNCT
eurjchem-2099	209	20	c5	c5	PROPN
eurjchem-2099	209	21	−0.9(3	−0.9(3	PROPN
eurjchem-2099	209	22	)	)	PUNCT
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eurjchem-2099	209	24	0.0	0.0	NUM
eurjchem-2099	209	25	c3	c3	NOUN
eurjchem-2099	209	26	-	-	PUNCT
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eurjchem-2099	209	28	-	-	PUNCT
eurjchem-2099	209	29	c5	c5	PROPN
eurjchem-2099	209	30	-	-	PUNCT
eurjchem-2099	209	31	c6	c6	PROPN
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eurjchem-2099	209	33	)	)	PUNCT
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eurjchem-2099	209	35	-0.0	-0.0	PROPN
eurjchem-2099	209	36	c3	c3	PROPN
eurjchem-2099	209	37	-	-	PUNCT
eurjchem-2099	209	38	c4	c4	NOUN
eurjchem-2099	209	39	-	-	PUNCT
eurjchem-2099	209	40	c5	c5	PROPN
eurjchem-2099	209	41	-	-	PUNCT
eurjchem-2099	209	42	o8	o8	PROPN
eurjchem-2099	209	43	−179.3(2	−179.3(2	PROPN
eurjchem-2099	209	44	)	)	PUNCT
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eurjchem-2099	209	46	179.8	179.8	NUM
eurjchem-2099	209	47	c4	c4	NOUN
eurjchem-2099	209	48	-	-	PUNCT
eurjchem-2099	209	49	c5	c5	PROPN
eurjchem-2099	209	50	-	-	PUNCT
eurjchem-2099	209	51	c6	c6	PROPN
eurjchem-2099	209	52	-	-	PUNCT
eurjchem-2099	209	53	c7	c7	PROPN
eurjchem-2099	209	54	0.9(3	0.9(3	PROPN
eurjchem-2099	209	55	)	)	PUNCT
eurjchem-2099	209	56	0.1	0.1	NUM
eurjchem-2099	209	57	0.1	0.1	NUM
eurjchem-2099	209	58	o8	o8	NOUN
eurjchem-2099	209	59	-	-	PUNCT
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eurjchem-2099	209	62	c6	c6	PROPN
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eurjchem-2099	209	66	)	)	PUNCT
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eurjchem-2099	209	69	c5	c5	PROPN
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eurjchem-2099	209	72	-	-	PUNCT
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eurjchem-2099	209	74	-	-	PUNCT
eurjchem-2099	209	75	c2	c2	PROPN
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eurjchem-2099	209	81	-	-	PUNCT
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eurjchem-2099	209	83	-	-	PUNCT
eurjchem-2099	209	84	c10	c10	VERB
eurjchem-2099	209	85	-	-	PUNCT
eurjchem-2099	209	86	o11	o11	NOUN
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eurjchem-2099	209	88	)	)	PUNCT
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eurjchem-2099	209	90	-179.6	-179.6	PROPN
eurjchem-2099	209	91	o8	o8	PROPN
eurjchem-2099	209	92	-	-	PUNCT
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eurjchem-2099	209	94	-	-	PUNCT
eurjchem-2099	209	95	c10	c10	VERB
eurjchem-2099	209	96	-	-	PUNCT
eurjchem-2099	209	97	o12	o12	NOUN
eurjchem-2099	209	98	−0.2(2	−0.2(2	NOUN
eurjchem-2099	209	99	)	)	PUNCT
eurjchem-2099	209	100	-0.1	-0.1	NOUN
eurjchem-2099	209	101	0.3	0.3	NUM
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eurjchem-2099	209	104	.	.	PUNCT
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eurjchem-2099	210	2	energies	energy	NOUN
eurjchem-2099	210	3	.	.	PUNCT
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eurjchem-2099	211	2	e	e	X
eurjchem-2099	211	3	(	(	PUNCT
eurjchem-2099	211	4	kj	kj	PROPN
eurjchem-2099	211	5	/	/	SYM
eurjchem-2099	211	6	mol	mol	PROPN
eurjchem-2099	211	7	)	)	PUNCT
eurjchem-2099	211	8	h	h	NOUN
eurjchem-2099	211	9	(	(	PUNCT
eurjchem-2099	211	10	kj	kj	PROPN
eurjchem-2099	211	11	/	/	SYM
eurjchem-2099	211	12	mol	mol	PROPN
eurjchem-2099	211	13	)	)	PUNCT
eurjchem-2099	211	14	g	g	PROPN
eurjchem-2099	211	15	(	(	PUNCT
eurjchem-2099	211	16	kj	kj	PROPN
eurjchem-2099	211	17	/	/	SYM
eurjchem-2099	211	18	mol	mol	PROPN
eurjchem-2099	211	19	)	)	PUNCT
eurjchem-2099	211	20	cv	cv	PROPN
eurjchem-2099	211	21	(	(	PUNCT
eurjchem-2099	211	22	j	j	PROPN
eurjchem-2099	211	23	/	/	SYM
eurjchem-2099	211	24	mol.k	mol.k	NOUN
eurjchem-2099	211	25	)	)	PUNCT
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eurjchem-2099	211	27	(	(	PUNCT
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eurjchem-2099	211	29	/	/	SYM
eurjchem-2099	211	30	mol.k	mol.k	PROPN
eurjchem-2099	211	31	)	)	PUNCT
eurjchem-2099	211	32	s	s	PART
eurjchem-2099	211	33	(	(	PUNCT
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eurjchem-2099	211	35	/	/	SYM
eurjchem-2099	211	36	mol.k	mol.k	PROPN
eurjchem-2099	211	37	)	)	PUNCT
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eurjchem-2099	212	1	0.000	0.000	NUM
eurjchem-2099	212	2	0.000	0.000	NUM
eurjchem-2099	212	3	0.000	0.000	NUM
eurjchem-2099	212	4	0.000	0.000	NUM
eurjchem-2099	212	5	0.000	0.000	NUM
eurjchem-2099	212	6	0.000	0.000	NUM
eurjchem-2099	212	7	translational	translational	ADJ
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eurjchem-2099	212	16	3.718	3.718	NUM
eurjchem-2099	212	17	-34.873	-34.873	NOUN
eurjchem-2099	212	18	12.472	12.472	NUM
eurjchem-2099	212	19	12.472	12.472	NUM
eurjchem-2099	212	20	129.436	129.436	NUM
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eurjchem-2099	212	22	424.957	424.957	NUM
eurjchem-2099	212	23	424.957	424.957	NUM
eurjchem-2099	212	24	313.706	313.706	NUM
eurjchem-2099	212	25	172.888	172.888	NUM
eurjchem-2099	212	26	172.888	172.888	NUM
eurjchem-2099	212	27	373.137	373.137	NUM
eurjchem-2099	212	28	total	total	NOUN
eurjchem-2099	212	29	432.394	432.394	NUM
eurjchem-2099	212	30	434.873	434.873	NUM
eurjchem-2099	212	31	233.511	233.511	NUM
eurjchem-2099	212	32	197.831	197.831	NUM
eurjchem-2099	212	33	206.145	206.145	NUM
eurjchem-2099	212	34	675.373	675.373	NUM
eurjchem-2099	212	35	figure	figure	NOUN
eurjchem-2099	212	36	9	9	NUM
eurjchem-2099	212	37	.	.	PUNCT
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eurjchem-2099	212	41	coulomb	coulomb	NOUN
eurjchem-2099	212	42	interaction	interaction	NOUN
eurjchem-2099	212	43	energy	energy	NOUN
eurjchem-2099	212	44	,	,	PUNCT
eurjchem-2099	212	45	dispersion	dispersion	NOUN
eurjchem-2099	212	46	energy	energy	NOUN
eurjchem-2099	212	47	,	,	PUNCT
eurjchem-2099	212	48	and	and	CCONJ
eurjchem-2099	212	49	total	total	ADJ
eurjchem-2099	212	50	energy	energy	NOUN
eurjchem-2099	212	51	in	in	ADP
eurjchem-2099	212	52	red	red	ADJ
eurjchem-2099	212	53	,	,	PUNCT
eurjchem-2099	212	54	green	green	ADJ
eurjchem-2099	212	55	,	,	PUNCT
eurjchem-2099	212	56	and	and	CCONJ
eurjchem-2099	212	57	blue	blue	ADJ
eurjchem-2099	212	58	colors	color	NOUN
eurjchem-2099	212	59	along	along	ADP
eurjchem-2099	212	60	the	the	DET
eurjchem-2099	212	61	a	a	PROPN
eurjchem-2099	212	62	,	,	PUNCT
eurjchem-2099	212	63	b	b	NOUN
eurjchem-2099	212	64	,	,	PUNCT
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eurjchem-2099	212	66	c	c	NOUN
eurjchem-2099	212	67	axes	axis	NOUN
eurjchem-2099	212	68	,	,	PUNCT
eurjchem-2099	212	69	respectively	respectively	ADV
eurjchem-2099	212	70	.	.	PUNCT
eurjchem-2099	213	1	prabhuswamy	prabhuswamy	ADJ
eurjchem-2099	213	2	et	et	PROPN
eurjchem-2099	213	3	al	al	PROPN
eurjchem-2099	213	4	.	.	PUNCT
eurjchem-2099	213	5	/	/	SYM
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eurjchem-2099	213	7	journal	journal	PROPN
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eurjchem-2099	213	9	chemistry	chemistry	NOUN
eurjchem-2099	213	10	12	12	NUM
eurjchem-2099	213	11	(	(	PUNCT
eurjchem-2099	213	12	3	3	NUM
eurjchem-2099	213	13	)	)	PUNCT
eurjchem-2099	213	14	(	(	PUNCT
eurjchem-2099	213	15	2021	2021	NUM
eurjchem-2099	213	16	)	)	PUNCT
eurjchem-2099	213	17	304	304	NUM
eurjchem-2099	213	18	-	-	SYM
eurjchem-2099	213	19	313	313	NUM
eurjchem-2099	213	20	311	311	NUM
eurjchem-2099	213	21	2021	2021	NUM
eurjchem-2099	213	22	–	–	PUNCT
eurjchem-2099	213	23	european	european	ADJ
eurjchem-2099	213	24	journal	journal	NOUN
eurjchem-2099	213	25	of	of	ADP
eurjchem-2099	213	26	chemistry	chemistry	NOUN
eurjchem-2099	213	27	–	–	PUNCT
eurjchem-2099	213	28	cc	cc	NOUN
eurjchem-2099	213	29	by	by	ADP
eurjchem-2099	213	30	nc	nc	PROPN
eurjchem-2099	213	31	–	–	PUNCT
eurjchem-2099	213	32	doi	doi	PROPN
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eurjchem-2099	213	35	/	/	SYM
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eurjchem-2099	213	37	-	-	SYM
eurjchem-2099	213	38	313.2099	313.2099	NUM
eurjchem-2099	213	39	table	table	NOUN
eurjchem-2099	213	40	8	8	NUM
eurjchem-2099	213	41	.	.	PUNCT
eurjchem-2099	214	1	global	global	ADJ
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eurjchem-2099	214	4	and	and	CCONJ
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eurjchem-2099	214	8	values	value	NOUN
eurjchem-2099	214	9	.	.	PUNCT
eurjchem-2099	215	1	descriptor	descriptor	NOUN
eurjchem-2099	215	2	energy	energy	NOUN
eurjchem-2099	215	3	homo	homo	NOUN
eurjchem-2099	215	4	-6.41	-6.41	PUNCT
eurjchem-2099	215	5	ev	ev	ADP
eurjchem-2099	215	6	lumo	lumo	PROPN
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eurjchem-2099	215	8	ev	ev	ADP
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eurjchem-2099	215	10	difference	difference	NOUN
eurjchem-2099	215	11	(	(	PUNCT
eurjchem-2099	215	12	δe	δe	NOUN
eurjchem-2099	215	13	)	)	PUNCT
eurjchem-2099	215	14	5.51	5.51	NUM
eurjchem-2099	215	15	ev	ev	ADP
eurjchem-2099	215	16	ionization	ionization	NOUN
eurjchem-2099	215	17	potential	potential	NOUN
eurjchem-2099	215	18	(	(	PUNCT
eurjchem-2099	215	19	i	i	NOUN
eurjchem-2099	215	20	)	)	PUNCT
eurjchem-2099	215	21	6.41	6.41	NUM
eurjchem-2099	215	22	ev	ev	ADP
eurjchem-2099	215	23	electron	electron	NOUN
eurjchem-2099	215	24	affinity	affinity	NOUN
eurjchem-2099	215	25	(	(	PUNCT
eurjchem-2099	215	26	a	a	X
eurjchem-2099	215	27	)	)	PUNCT
eurjchem-2099	215	28	0.89	0.89	NUM
eurjchem-2099	215	29	ev	ev	ADP
eurjchem-2099	215	30	chemical	chemical	ADJ
eurjchem-2099	215	31	potential	potential	NOUN
eurjchem-2099	215	32	(	(	PUNCT
eurjchem-2099	215	33	μ	μ	NOUN
eurjchem-2099	215	34	)	)	PUNCT
eurjchem-2099	215	35	-3.81	-3.81	NUM
eurjchem-2099	215	36	ev	ev	ADP
eurjchem-2099	215	37	electronegativity	electronegativity	NOUN
eurjchem-2099	215	38	(	(	PUNCT
eurjchem-2099	215	39	χ	χ	NOUN
eurjchem-2099	215	40	)	)	PUNCT
eurjchem-2099	215	41	3.81	3.81	NUM
eurjchem-2099	215	42	ev	ev	ADP
eurjchem-2099	215	43	global	global	ADJ
eurjchem-2099	215	44	hardness	hardness	NOUN
eurjchem-2099	215	45	(	(	PUNCT
eurjchem-2099	215	46	η	η	NOUN
eurjchem-2099	215	47	)	)	PUNCT
eurjchem-2099	215	48	2.76	2.76	NUM
eurjchem-2099	215	49	ev	ev	ADP
eurjchem-2099	215	50	global	global	ADJ
eurjchem-2099	215	51	softness	softness	NOUN
eurjchem-2099	215	52	(	(	PUNCT
eurjchem-2099	215	53	σ	σ	NOUN
eurjchem-2099	215	54	)	)	PUNCT
eurjchem-2099	215	55	0.36	0.36	NUM
eurjchem-2099	215	56	ev-1	ev-1	SYM
eurjchem-2099	215	57	electrophilicity	electrophilicity	NOUN
eurjchem-2099	215	58	(	(	PUNCT
eurjchem-2099	215	59	ω	ω	NOUN
eurjchem-2099	215	60	)	)	PUNCT
eurjchem-2099	215	61	2.63	2.63	NUM
eurjchem-2099	215	62	ev	ev	PRON
eurjchem-2099	215	63	figure	figure	NOUN
eurjchem-2099	215	64	10	10	NUM
eurjchem-2099	215	65	.	.	PUNCT
eurjchem-2099	216	1	the	the	DET
eurjchem-2099	216	2	optimized	optimize	VERB
eurjchem-2099	216	3	structure	structure	NOUN
eurjchem-2099	216	4	of	of	ADP
eurjchem-2099	216	5	the	the	DET
eurjchem-2099	216	6	molecule	molecule	NOUN
eurjchem-2099	216	7	.	.	PUNCT
eurjchem-2099	217	1	figure	figure	NOUN
eurjchem-2099	217	2	11	11	NUM
eurjchem-2099	217	3	.	.	PUNCT
eurjchem-2099	218	1	homo	homo	ADJ
eurjchem-2099	218	2	-	-	PUNCT
eurjchem-2099	218	3	lumo	lumo	NOUN
eurjchem-2099	218	4	energy	energy	NOUN
eurjchem-2099	218	5	level	level	NOUN
eurjchem-2099	218	6	of	of	ADP
eurjchem-2099	218	7	the	the	DET
eurjchem-2099	218	8	molecule	molecule	NOUN
eurjchem-2099	218	9	.	.	PUNCT
eurjchem-2099	219	1	3.6	3.6	NUM
eurjchem-2099	219	2	.	.	PUNCT
eurjchem-2099	219	3	frontier	frontier	NOUN
eurjchem-2099	219	4	molecular	molecular	ADJ
eurjchem-2099	219	5	orbitals	orbital	NOUN
eurjchem-2099	219	6	the	the	DET
eurjchem-2099	219	7	frontier	frontier	NOUN
eurjchem-2099	219	8	molecular	molecular	ADJ
eurjchem-2099	219	9	orbitals	orbital	NOUN
eurjchem-2099	219	10	viz	viz	PROPN
eurjchem-2099	219	11	.	.	PROPN
eurjchem-2099	219	12	,	,	PUNCT
eurjchem-2099	219	13	homo	homo	NOUN
eurjchem-2099	219	14	and	and	CCONJ
eurjchem-2099	219	15	lumo	lumo	NOUN
eurjchem-2099	219	16	and	and	CCONJ
eurjchem-2099	219	17	the	the	DET
eurjchem-2099	219	18	energy	energy	NOUN
eurjchem-2099	219	19	difference	difference	NOUN
eurjchem-2099	219	20	between	between	ADP
eurjchem-2099	219	21	them	they	PRON
eurjchem-2099	219	22	is	be	AUX
eurjchem-2099	219	23	computed	compute	VERB
eurjchem-2099	219	24	with	with	ADP
eurjchem-2099	219	25	the	the	DET
eurjchem-2099	219	26	exchange	exchange	NOUN
eurjchem-2099	219	27	correlation	correlation	NOUN
eurjchem-2099	219	28	functional	functional	ADJ
eurjchem-2099	219	29	b3lyp/6	b3lyp/6	PROPN
eurjchem-2099	219	30	-	-	NOUN
eurjchem-2099	219	31	31+g(d	31+g(d	PROPN
eurjchem-2099	219	32	,	,	PUNCT
eurjchem-2099	219	33	p	p	NOUN
eurjchem-2099	219	34	)	)	PUNCT
eurjchem-2099	219	35	basis	basis	NOUN
eurjchem-2099	219	36	set	set	NOUN
eurjchem-2099	219	37	.	.	PUNCT
eurjchem-2099	220	1	homo	homo	NOUN
eurjchem-2099	220	2	acts	act	VERB
eurjchem-2099	220	3	as	as	ADP
eurjchem-2099	220	4	an	an	DET
eurjchem-2099	220	5	electron	electron	NOUN
eurjchem-2099	220	6	donor	donor	NOUN
eurjchem-2099	220	7	,	,	PUNCT
eurjchem-2099	220	8	and	and	CCONJ
eurjchem-2099	220	9	lumo	lumo	NOUN
eurjchem-2099	220	10	acts	act	NOUN
eurjchem-2099	220	11	as	as	ADP
eurjchem-2099	220	12	an	an	DET
eurjchem-2099	220	13	electron	electron	NOUN
eurjchem-2099	220	14	acceptor	acceptor	NOUN
eurjchem-2099	220	15	.	.	PUNCT
eurjchem-2099	221	1	the	the	DET
eurjchem-2099	221	2	energy	energy	NOUN
eurjchem-2099	221	3	gap	gap	NOUN
eurjchem-2099	221	4	between	between	ADP
eurjchem-2099	221	5	homo	homo	NOUN
eurjchem-2099	221	6	and	and	CCONJ
eurjchem-2099	221	7	lumo	lumo	NOUN
eurjchem-2099	221	8	is	be	AUX
eurjchem-2099	221	9	5.51	5.51	NUM
eurjchem-2099	221	10	ev	ev	NOUN
eurjchem-2099	221	11	.	.	PUNCT
eurjchem-2099	222	1	the	the	DET
eurjchem-2099	222	2	molecule	molecule	NOUN
eurjchem-2099	222	3	is	be	AUX
eurjchem-2099	222	4	highly	highly	ADV
eurjchem-2099	222	5	stable	stable	ADJ
eurjchem-2099	222	6	and	and	CCONJ
eurjchem-2099	222	7	less	less	ADV
eurjchem-2099	222	8	reactive	reactive	ADJ
eurjchem-2099	222	9	compared	compare	VERB
eurjchem-2099	222	10	to	to	ADP
eurjchem-2099	222	11	other	other	ADJ
eurjchem-2099	222	12	molecules	molecule	NOUN
eurjchem-2099	222	13	[	[	X
eurjchem-2099	222	14	44	44	NUM
eurjchem-2099	222	15	]	]	PUNCT
eurjchem-2099	222	16	.	.	PUNCT
eurjchem-2099	223	1	the	the	DET
eurjchem-2099	223	2	energy	energy	NOUN
eurjchem-2099	223	3	gap	gap	NOUN
eurjchem-2099	223	4	of	of	ADP
eurjchem-2099	223	5	the	the	DET
eurjchem-2099	223	6	molecule	molecule	NOUN
eurjchem-2099	223	7	predicts	predict	VERB
eurjchem-2099	223	8	the	the	DET
eurjchem-2099	223	9	stability	stability	NOUN
eurjchem-2099	223	10	and	and	CCONJ
eurjchem-2099	223	11	reactivity	reactivity	NOUN
eurjchem-2099	223	12	[	[	X
eurjchem-2099	223	13	45	45	NUM
eurjchem-2099	223	14	]	]	PUNCT
eurjchem-2099	223	15	.	.	PUNCT
eurjchem-2099	224	1	homo	homo	NOUN
eurjchem-2099	224	2	is	be	AUX
eurjchem-2099	224	3	localized	localize	VERB
eurjchem-2099	224	4	in	in	ADP
eurjchem-2099	224	5	the	the	DET
eurjchem-2099	224	6	phenoxy	phenoxy	ADJ
eurjchem-2099	224	7	ring	ring	NOUN
eurjchem-2099	224	8	.	.	PUNCT
eurjchem-2099	225	1	the	the	DET
eurjchem-2099	225	2	energy	energy	NOUN
eurjchem-2099	225	3	level	level	NOUN
eurjchem-2099	225	4	of	of	ADP
eurjchem-2099	225	5	the	the	DET
eurjchem-2099	225	6	molecular	molecular	ADJ
eurjchem-2099	225	7	orbitals	orbital	NOUN
eurjchem-2099	225	8	homo	homo	NOUN
eurjchem-2099	225	9	and	and	CCONJ
eurjchem-2099	225	10	lumo	lumo	NOUN
eurjchem-2099	225	11	of	of	ADP
eurjchem-2099	225	12	the	the	DET
eurjchem-2099	225	13	molecule	molecule	NOUN
eurjchem-2099	225	14	is	be	AUX
eurjchem-2099	225	15	shown	show	VERB
eurjchem-2099	225	16	in	in	ADP
eurjchem-2099	225	17	figure	figure	NOUN
eurjchem-2099	225	18	11	11	NUM
eurjchem-2099	225	19	.	.	PUNCT
eurjchem-2099	226	1	to	to	PART
eurjchem-2099	226	2	understand	understand	VERB
eurjchem-2099	226	3	the	the	DET
eurjchem-2099	226	4	chemical	chemical	NOUN
eurjchem-2099	226	5	reactivity	reactivity	NOUN
eurjchem-2099	226	6	of	of	ADP
eurjchem-2099	226	7	the	the	DET
eurjchem-2099	226	8	molecule	molecule	NOUN
eurjchem-2099	226	9	,	,	PUNCT
eurjchem-2099	226	10	molecular	molecular	ADJ
eurjchem-2099	226	11	descriptors	descriptor	NOUN
eurjchem-2099	226	12	have	have	AUX
eurjchem-2099	226	13	been	be	AUX
eurjchem-2099	226	14	studied	study	VERB
eurjchem-2099	226	15	.	.	PUNCT
eurjchem-2099	227	1	the	the	DET
eurjchem-2099	227	2	molecular	molecular	ADJ
eurjchem-2099	227	3	descriptors	descriptor	NOUN
eurjchem-2099	227	4	,	,	PUNCT
eurjchem-2099	227	5	viz	viz	NOUN
eurjchem-2099	227	6	.	.	PUNCT
eurjchem-2099	228	1	ionization	ionization	NOUN
eurjchem-2099	228	2	potential	potential	NOUN
eurjchem-2099	228	3	(	(	PUNCT
eurjchem-2099	228	4	i	i	NOUN
eurjchem-2099	228	5	)	)	PUNCT
eurjchem-2099	228	6	,	,	PUNCT
eurjchem-2099	228	7	electron	electron	NOUN
eurjchem-2099	228	8	affinity	affinity	NOUN
eurjchem-2099	228	9	(	(	PUNCT
eurjchem-2099	228	10	a	a	X
eurjchem-2099	228	11	)	)	PUNCT
eurjchem-2099	228	12	,	,	PUNCT
eurjchem-2099	228	13	chemical	chemical	NOUN
eurjchem-2099	228	14	potential	potential	NOUN
eurjchem-2099	228	15	(	(	PUNCT
eurjchem-2099	228	16	μ	μ	NOUN
eurjchem-2099	228	17	)	)	PUNCT
eurjchem-2099	228	18	,	,	PUNCT
eurjchem-2099	228	19	electronegativity	electronegativity	NOUN
eurjchem-2099	228	20	(	(	PUNCT
eurjchem-2099	228	21	χ	χ	NOUN
eurjchem-2099	228	22	)	)	PUNCT
eurjchem-2099	228	23	,	,	PUNCT
eurjchem-2099	228	24	global	global	ADJ
eurjchem-2099	228	25	softness	softness	NOUN
eurjchem-2099	228	26	(	(	PUNCT
eurjchem-2099	228	27	σ	σ	NOUN
eurjchem-2099	228	28	)	)	PUNCT
eurjchem-2099	228	29	,	,	PUNCT
eurjchem-2099	228	30	global	global	ADJ
eurjchem-2099	228	31	hardness	hardness	NOUN
eurjchem-2099	228	32	(	(	PUNCT
eurjchem-2099	228	33	η	η	NOUN
eurjchem-2099	228	34	)	)	PUNCT
eurjchem-2099	228	35	,	,	PUNCT
eurjchem-2099	228	36	and	and	CCONJ
eurjchem-2099	228	37	electrophilicity	electrophilicity	NOUN
eurjchem-2099	228	38	(	(	PUNCT
eurjchem-2099	228	39	ω	ω	NOUN
eurjchem-2099	228	40	)	)	PUNCT
eurjchem-2099	228	41	are	be	AUX
eurjchem-2099	228	42	listed	list	VERB
eurjchem-2099	228	43	in	in	ADP
eurjchem-2099	228	44	table	table	NOUN
eurjchem-2099	228	45	8	8	NUM
eurjchem-2099	228	46	.	.	PUNCT
eurjchem-2099	229	1	the	the	DET
eurjchem-2099	229	2	global	global	ADJ
eurjchem-2099	229	3	parameters	parameter	NOUN
eurjchem-2099	229	4	were	be	AUX
eurjchem-2099	229	5	calculated	calculate	VERB
eurjchem-2099	229	6	using	use	VERB
eurjchem-2099	229	7	the	the	DET
eurjchem-2099	229	8	formulae	formulae	NOUN
eurjchem-2099	229	9	,	,	PUNCT
eurjchem-2099	229	10	i	i	PRON
eurjchem-2099	229	11	=	=	PUNCT
eurjchem-2099	229	12	-ehomo	-ehomo	NOUN
eurjchem-2099	229	13	,	,	PUNCT
eurjchem-2099	229	14	a	a	DET
eurjchem-2099	229	15	=	=	PUNCT
eurjchem-2099	229	16	elumo	elumo	ADJ
eurjchem-2099	229	17	,	,	PUNCT
eurjchem-2099	229	18	χ	χ	NOUN
eurjchem-2099	229	19	=	=	SYM
eurjchem-2099	229	20	1/2(i	1/2(i	NUM
eurjchem-2099	229	21	+	+	CCONJ
eurjchem-2099	229	22	a	a	X
eurjchem-2099	229	23	)	)	PUNCT
eurjchem-2099	229	24	,	,	PUNCT
eurjchem-2099	229	25	μ	μ	PROPN
eurjchem-2099	229	26	=	=	SYM
eurjchem-2099	229	27	-χ	-χ	PROPN
eurjchem-2099	229	28	,	,	PUNCT
eurjchem-2099	229	29	η	η	PROPN
eurjchem-2099	229	30	=	=	SYM
eurjchem-2099	229	31	δe/2	δe/2	PROPN
eurjchem-2099	229	32	,	,	PUNCT
eurjchem-2099	229	33	σ	σ	NOUN
eurjchem-2099	229	34	=	=	SYM
eurjchem-2099	229	35	1	1	NUM
eurjchem-2099	229	36	/	/	SYM
eurjchem-2099	229	37	η	η	PROPN
eurjchem-2099	229	38	,	,	PUNCT
eurjchem-2099	229	39	and	and	CCONJ
eurjchem-2099	229	40	ω	ω	X
eurjchem-2099	229	41	=	=	SYM
eurjchem-2099	229	42	μ2/2	μ2/2	NUM
eurjchem-2099	229	43	η	η	PROPN
eurjchem-2099	229	44	.	.	PROPN
eurjchem-2099	229	45	3.7	3.7	NUM
eurjchem-2099	229	46	.	.	PUNCT
eurjchem-2099	230	1	molecular	molecular	ADJ
eurjchem-2099	230	2	electrostatic	electrostatic	ADJ
eurjchem-2099	230	3	potential	potential	NOUN
eurjchem-2099	230	4	the	the	DET
eurjchem-2099	230	5	molecular	molecular	ADJ
eurjchem-2099	230	6	electrostatic	electrostatic	ADJ
eurjchem-2099	230	7	potential	potential	NOUN
eurjchem-2099	230	8	(	(	PUNCT
eurjchem-2099	230	9	mep	mep	PROPN
eurjchem-2099	230	10	)	)	PUNCT
eurjchem-2099	230	11	map	map	NOUN
eurjchem-2099	230	12	illustrates	illustrate	VERB
eurjchem-2099	230	13	the	the	DET
eurjchem-2099	230	14	charge	charge	NOUN
eurjchem-2099	230	15	distribution	distribution	NOUN
eurjchem-2099	230	16	of	of	ADP
eurjchem-2099	230	17	molecules	molecule	NOUN
eurjchem-2099	230	18	in	in	ADP
eurjchem-2099	230	19	three	three	NUM
eurjchem-2099	230	20	dimensions	dimension	NOUN
eurjchem-2099	230	21	.	.	PUNCT
eurjchem-2099	231	1	the	the	DET
eurjchem-2099	231	2	values	value	NOUN
eurjchem-2099	231	3	of	of	ADP
eurjchem-2099	231	4	electrostatic	electrostatic	ADJ
eurjchem-2099	231	5	potential	potential	NOUN
eurjchem-2099	231	6	determine	determine	NOUN
eurjchem-2099	231	7	the	the	DET
eurjchem-2099	231	8	electrophilic	electrophilic	ADJ
eurjchem-2099	231	9	or	or	CCONJ
eurjchem-2099	231	10	nucleophilic	nucleophilic	ADJ
eurjchem-2099	231	11	reactive	reactive	ADJ
eurjchem-2099	231	12	sites	site	NOUN
eurjchem-2099	231	13	.	.	PUNCT
eurjchem-2099	232	1	the	the	DET
eurjchem-2099	232	2	molecular	molecular	ADJ
eurjchem-2099	232	3	electrostatic	electrostatic	ADJ
eurjchem-2099	232	4	potential	potential	ADJ
eurjchem-2099	232	5	map	map	NOUN
eurjchem-2099	232	6	is	be	AUX
eurjchem-2099	232	7	generated	generate	VERB
eurjchem-2099	232	8	by	by	ADP
eurjchem-2099	232	9	covering	cover	VERB
eurjchem-2099	232	10	all	all	DET
eurjchem-2099	232	11	atoms	atom	NOUN
eurjchem-2099	232	12	of	of	ADP
eurjchem-2099	232	13	a	a	DET
eurjchem-2099	232	14	molecule	molecule	NOUN
eurjchem-2099	232	15	at	at	ADP
eurjchem-2099	232	16	van	van	PROPN
eurjchem-2099	232	17	der	der	NOUN
eurjchem-2099	232	18	waals	waal	NOUN
eurjchem-2099	232	19	radius	radius	NOUN
eurjchem-2099	232	20	of	of	ADP
eurjchem-2099	232	21	the	the	DET
eurjchem-2099	232	22	atoms	atom	NOUN
eurjchem-2099	232	23	.	.	PUNCT
eurjchem-2099	233	1	it	it	PRON
eurjchem-2099	233	2	is	be	AUX
eurjchem-2099	233	3	calculated	calculate	VERB
eurjchem-2099	233	4	for	for	ADP
eurjchem-2099	233	5	the	the	DET
eurjchem-2099	233	6	regions	region	NOUN
eurjchem-2099	233	7	distributed	distribute	VERB
eurjchem-2099	233	8	evenly	evenly	ADV
eurjchem-2099	233	9	on	on	ADP
eurjchem-2099	233	10	the	the	DET
eurjchem-2099	233	11	van	van	PROPN
eurjchem-2099	233	12	der	der	NOUN
eurjchem-2099	233	13	waals	waal	NOUN
eurjchem-2099	233	14	surface	surface	VERB
eurjchem-2099	233	15	.	.	PUNCT
eurjchem-2099	234	1	the	the	DET
eurjchem-2099	234	2	regions	region	NOUN
eurjchem-2099	234	3	obtained	obtain	VERB
eurjchem-2099	234	4	are	be	AUX
eurjchem-2099	234	5	color	color	NOUN
eurjchem-2099	234	6	coded	code	VERB
eurjchem-2099	234	7	[	[	X
eurjchem-2099	234	8	46	46	NUM
eurjchem-2099	234	9	]	]	PUNCT
eurjchem-2099	234	10	.	.	PUNCT
eurjchem-2099	235	1	the	the	DET
eurjchem-2099	235	2	red	red	ADJ
eurjchem-2099	235	3	colored	colored	ADJ
eurjchem-2099	235	4	regions	region	NOUN
eurjchem-2099	235	5	on	on	ADP
eurjchem-2099	235	6	the	the	DET
eurjchem-2099	235	7	mep	mep	PROPN
eurjchem-2099	235	8	map	map	NOUN
eurjchem-2099	235	9	indicate	indicate	VERB
eurjchem-2099	235	10	the	the	DET
eurjchem-2099	235	11	negative	negative	ADJ
eurjchem-2099	235	12	electrostatic	electrostatic	ADJ
eurjchem-2099	235	13	potential	potential	NOUN
eurjchem-2099	235	14	(	(	PUNCT
eurjchem-2099	235	15	regions	region	NOUN
eurjchem-2099	235	16	of	of	ADP
eurjchem-2099	235	17	attraction	attraction	NOUN
eurjchem-2099	235	18	for	for	ADP
eurjchem-2099	235	19	positive	positive	ADJ
eurjchem-2099	235	20	charge	charge	NOUN
eurjchem-2099	235	21	)	)	PUNCT
eurjchem-2099	235	22	.	.	PUNCT
eurjchem-2099	236	1	the	the	DET
eurjchem-2099	236	2	blue	blue	ADJ
eurjchem-2099	236	3	colored	colored	ADJ
eurjchem-2099	236	4	regions	region	NOUN
eurjchem-2099	236	5	indicate	indicate	VERB
eurjchem-2099	236	6	the	the	DET
eurjchem-2099	236	7	positive	positive	ADJ
eurjchem-2099	236	8	electrostatic	electrostatic	ADJ
eurjchem-2099	236	9	potential	potential	NOUN
eurjchem-2099	236	10	(	(	PUNCT
eurjchem-2099	236	11	regions	region	NOUN
eurjchem-2099	236	12	of	of	ADP
eurjchem-2099	236	13	attraction	attraction	NOUN
eurjchem-2099	236	14	for	for	ADP
eurjchem-2099	236	15	negative	negative	ADJ
eurjchem-2099	236	16	charge	charge	NOUN
eurjchem-2099	236	17	)	)	PUNCT
eurjchem-2099	236	18	.	.	PUNCT
eurjchem-2099	237	1	the	the	DET
eurjchem-2099	237	2	intermediate	intermediate	ADJ
eurjchem-2099	237	3	potential	potential	ADJ
eurjchem-2099	237	4	values	value	NOUN
eurjchem-2099	237	5	are	be	AUX
eurjchem-2099	237	6	indicated	indicate	VERB
eurjchem-2099	237	7	by	by	ADP
eurjchem-2099	237	8	yellow	yellow	ADJ
eurjchem-2099	237	9	,	,	PUNCT
eurjchem-2099	237	10	green	green	ADJ
eurjchem-2099	237	11	,	,	PUNCT
eurjchem-2099	237	12	and	and	CCONJ
eurjchem-2099	237	13	light	light	ADJ
eurjchem-2099	237	14	blue	blue	ADJ
eurjchem-2099	237	15	colored	colored	ADJ
eurjchem-2099	237	16	regions	region	NOUN
eurjchem-2099	237	17	.	.	PUNCT
eurjchem-2099	238	1	the	the	DET
eurjchem-2099	238	2	distribution	distribution	NOUN
eurjchem-2099	238	3	of	of	ADP
eurjchem-2099	238	4	electrostatic	electrostatic	ADJ
eurjchem-2099	238	5	potential	potential	NOUN
eurjchem-2099	238	6	on	on	ADP
eurjchem-2099	238	7	the	the	DET
eurjchem-2099	238	8	molecular	molecular	ADJ
eurjchem-2099	238	9	surface	surface	NOUN
eurjchem-2099	238	10	is	be	AUX
eurjchem-2099	238	11	shown	show	VERB
eurjchem-2099	238	12	in	in	ADP
eurjchem-2099	238	13	figure	figure	NOUN
eurjchem-2099	238	14	12	12	NUM
eurjchem-2099	238	15	.	.	PUNCT
eurjchem-2099	239	1	it	it	PRON
eurjchem-2099	239	2	shows	show	VERB
eurjchem-2099	239	3	that	that	SCONJ
eurjchem-2099	239	4	the	the	DET
eurjchem-2099	239	5	negative	negative	ADJ
eurjchem-2099	239	6	electrostatic	electrostatic	ADJ
eurjchem-2099	239	7	potential	potential	NOUN
eurjchem-2099	239	8	is	be	AUX
eurjchem-2099	239	9	spread	spread	VERB
eurjchem-2099	239	10	over	over	ADP
eurjchem-2099	239	11	the	the	DET
eurjchem-2099	239	12	oxygen	oxygen	NOUN
eurjchem-2099	239	13	atom	atom	NOUN
eurjchem-2099	239	14	and	and	CCONJ
eurjchem-2099	239	15	the	the	DET
eurjchem-2099	239	16	positive	positive	ADJ
eurjchem-2099	239	17	electrostatic	electrostatic	ADJ
eurjchem-2099	239	18	potential	potential	NOUN
eurjchem-2099	239	19	is	be	AUX
eurjchem-2099	239	20	concentrated	concentrate	VERB
eurjchem-2099	239	21	around	around	ADP
eurjchem-2099	239	22	the	the	DET
eurjchem-2099	239	23	hydrogen	hydrogen	NOUN
eurjchem-2099	239	24	atom	atom	NOUN
eurjchem-2099	239	25	attached	attach	VERB
eurjchem-2099	239	26	to	to	ADP
eurjchem-2099	239	27	the	the	DET
eurjchem-2099	239	28	phenoxy	phenoxy	PROPN
eurjchem-2099	239	29	ring	ring	NOUN
eurjchem-2099	239	30	.	.	PUNCT
eurjchem-2099	240	1	figure	figure	NOUN
eurjchem-2099	240	2	12	12	NUM
eurjchem-2099	240	3	.	.	PUNCT
eurjchem-2099	241	1	molecular	molecular	ADJ
eurjchem-2099	241	2	electrostatic	electrostatic	ADJ
eurjchem-2099	241	3	potential	potential	ADJ
eurjchem-2099	241	4	map	map	NOUN
eurjchem-2099	241	5	of	of	ADP
eurjchem-2099	241	6	the	the	DET
eurjchem-2099	241	7	molecule	molecule	NOUN
eurjchem-2099	241	8	.	.	PUNCT
eurjchem-2099	242	1	312	312	NUM
eurjchem-2099	242	2	prabhuswamy	prabhuswamy	ADJ
eurjchem-2099	242	3	et	et	PROPN
eurjchem-2099	242	4	al	al	PROPN
eurjchem-2099	242	5	.	.	PUNCT
eurjchem-2099	242	6	/	/	SYM
eurjchem-2099	242	7	european	european	PROPN
eurjchem-2099	242	8	journal	journal	PROPN
eurjchem-2099	242	9	of	of	ADP
eurjchem-2099	242	10	chemistry	chemistry	NOUN
eurjchem-2099	242	11	12	12	NUM
eurjchem-2099	242	12	(	(	PUNCT
eurjchem-2099	242	13	3	3	NUM
eurjchem-2099	242	14	)	)	PUNCT
eurjchem-2099	242	15	(	(	PUNCT
eurjchem-2099	242	16	2021	2021	NUM
eurjchem-2099	242	17	)	)	PUNCT
eurjchem-2099	242	18	304	304	NUM
eurjchem-2099	242	19	-	-	SYM
eurjchem-2099	242	20	313	313	NUM
eurjchem-2099	242	21	2021	2021	NUM
eurjchem-2099	242	22	–	–	PUNCT
eurjchem-2099	242	23	european	european	ADJ
eurjchem-2099	242	24	journal	journal	NOUN
eurjchem-2099	242	25	of	of	ADP
eurjchem-2099	242	26	chemistry	chemistry	NOUN
eurjchem-2099	242	27	–	–	PUNCT
eurjchem-2099	242	28	cc	cc	NOUN
eurjchem-2099	242	29	by	by	ADP
eurjchem-2099	242	30	nc	nc	PROPN
eurjchem-2099	242	31	–	–	PUNCT
eurjchem-2099	242	32	doi	doi	PROPN
eurjchem-2099	242	33	:	:	PUNCT
eurjchem-2099	242	34	10.5155	10.5155	NUM
eurjchem-2099	242	35	/	/	SYM
eurjchem-2099	242	36	eurjchem.12.3.304	eurjchem.12.3.304	NOUN
eurjchem-2099	242	37	-	-	SYM
eurjchem-2099	242	38	313.2099	313.2099	NUM
eurjchem-2099	242	39	4	4	NUM
eurjchem-2099	242	40	.	.	PUNCT
eurjchem-2099	242	41	conclusions	conclusion	NOUN
eurjchem-2099	242	42	the	the	DET
eurjchem-2099	242	43	molecule	molecule	NOUN
eurjchem-2099	242	44	,	,	PUNCT
eurjchem-2099	242	45	2-(4	2-(4	NOUN
eurjchem-2099	242	46	-	-	PUNCT
eurjchem-2099	242	47	fluorophenoxy	fluorophenoxy	ADJ
eurjchem-2099	242	48	)	)	PUNCT
eurjchem-2099	242	49	acetic	acetic	ADJ
eurjchem-2099	242	50	acid	acid	NOUN
eurjchem-2099	242	51	,	,	PUNCT
eurjchem-2099	242	52	crystallizes	crystallize	VERB
eurjchem-2099	242	53	in	in	ADP
eurjchem-2099	242	54	the	the	DET
eurjchem-2099	242	55	monoclinic	monoclinic	ADJ
eurjchem-2099	242	56	crystal	crystal	NOUN
eurjchem-2099	242	57	system	system	NOUN
eurjchem-2099	242	58	with	with	ADP
eurjchem-2099	242	59	the	the	DET
eurjchem-2099	242	60	space	space	NOUN
eurjchem-2099	242	61	group	group	NOUN
eurjchem-2099	242	62	p21	p21	PROPN
eurjchem-2099	242	63	/	/	SYM
eurjchem-2099	242	64	c.	c.	PROPN
eurjchem-2099	242	65	hirshfeld	hirshfeld	PROPN
eurjchem-2099	242	66	surface	surface	NOUN
eurjchem-2099	242	67	analysis	analysis	NOUN
eurjchem-2099	242	68	revealed	reveal	VERB
eurjchem-2099	242	69	the	the	DET
eurjchem-2099	242	70	c	c	PROPN
eurjchem-2099	242	71	-	-	PUNCT
eurjchem-2099	242	72	h···o	h···o	NOUN
eurjchem-2099	242	73	intermolecular	intermolecular	ADJ
eurjchem-2099	242	74	interactions	interaction	NOUN
eurjchem-2099	242	75	in	in	ADP
eurjchem-2099	242	76	the	the	DET
eurjchem-2099	242	77	crystal	crystal	NOUN
eurjchem-2099	242	78	.	.	PUNCT
eurjchem-2099	243	1	the	the	DET
eurjchem-2099	243	2	three	three	NUM
eurjchem-2099	243	3	-	-	PUNCT
eurjchem-2099	243	4	dimensional	dimensional	ADJ
eurjchem-2099	243	5	energy	energy	NOUN
eurjchem-2099	243	6	frameworks	framework	NOUN
eurjchem-2099	243	7	indicate	indicate	VERB
eurjchem-2099	243	8	that	that	SCONJ
eurjchem-2099	243	9	the	the	DET
eurjchem-2099	243	10	electrostatic	electrostatic	ADJ
eurjchem-2099	243	11	energy	energy	NOUN
eurjchem-2099	243	12	is	be	AUX
eurjchem-2099	243	13	dominant	dominant	ADJ
eurjchem-2099	243	14	over	over	ADP
eurjchem-2099	243	15	the	the	DET
eurjchem-2099	243	16	dispersion	dispersion	NOUN
eurjchem-2099	243	17	energy	energy	NOUN
eurjchem-2099	243	18	.	.	PUNCT
eurjchem-2099	244	1	dft	dft	PROPN
eurjchem-2099	244	2	calculations	calculation	NOUN
eurjchem-2099	244	3	were	be	AUX
eurjchem-2099	244	4	carried	carry	VERB
eurjchem-2099	244	5	over	over	ADP
eurjchem-2099	244	6	b3lyp/6	b3lyp/6	NOUN
eurjchem-2099	244	7	-	-	X
eurjchem-2099	244	8	31+g(d	31+g(d	PROPN
eurjchem-2099	244	9	,	,	PUNCT
eurjchem-2099	244	10	p	p	NOUN
eurjchem-2099	244	11	)	)	PUNCT
eurjchem-2099	244	12	basis	basis	NOUN
eurjchem-2099	244	13	set	set	NOUN
eurjchem-2099	244	14	infers	infer	NOUN
eurjchem-2099	244	15	that	that	PRON
eurjchem-2099	244	16	the	the	DET
eurjchem-2099	244	17	theoretically	theoretically	ADV
eurjchem-2099	244	18	predicted	predict	VERB
eurjchem-2099	244	19	structural	structural	ADJ
eurjchem-2099	244	20	values	value	NOUN
eurjchem-2099	244	21	are	be	AUX
eurjchem-2099	244	22	in	in	ADP
eurjchem-2099	244	23	good	good	ADJ
eurjchem-2099	244	24	agreement	agreement	NOUN
eurjchem-2099	244	25	between	between	ADP
eurjchem-2099	244	26	the	the	DET
eurjchem-2099	244	27	experimental	experimental	ADJ
eurjchem-2099	244	28	values	value	NOUN
eurjchem-2099	244	29	.	.	PUNCT
eurjchem-2099	245	1	the	the	DET
eurjchem-2099	245	2	energy	energy	NOUN
eurjchem-2099	245	3	gap	gap	NOUN
eurjchem-2099	245	4	between	between	ADP
eurjchem-2099	245	5	homo	homo	NOUN
eurjchem-2099	245	6	and	and	CCONJ
eurjchem-2099	245	7	lumo	lumo	NOUN
eurjchem-2099	245	8	is	be	AUX
eurjchem-2099	245	9	5.51	5.51	NUM
eurjchem-2099	245	10	ev	ev	NOUN
eurjchem-2099	245	11	,	,	PUNCT
eurjchem-2099	245	12	which	which	PRON
eurjchem-2099	245	13	implies	imply	VERB
eurjchem-2099	245	14	the	the	DET
eurjchem-2099	245	15	stability	stability	NOUN
eurjchem-2099	245	16	of	of	ADP
eurjchem-2099	245	17	the	the	DET
eurjchem-2099	245	18	molecule	molecule	NOUN
eurjchem-2099	245	19	.	.	PUNCT
eurjchem-2099	246	1	the	the	DET
eurjchem-2099	246	2	analysis	analysis	NOUN
eurjchem-2099	246	3	of	of	ADP
eurjchem-2099	246	4	the	the	DET
eurjchem-2099	246	5	molecular	molecular	ADJ
eurjchem-2099	246	6	electrostatic	electrostatic	ADJ
eurjchem-2099	246	7	potential	potential	ADJ
eurjchem-2099	246	8	surface	surface	NOUN
eurjchem-2099	246	9	revealed	reveal	VERB
eurjchem-2099	246	10	the	the	DET
eurjchem-2099	246	11	electronegative	electronegative	ADJ
eurjchem-2099	246	12	and	and	CCONJ
eurjchem-2099	246	13	electropositive	electropositive	ADJ
eurjchem-2099	246	14	sites	site	NOUN
eurjchem-2099	246	15	are	be	AUX
eurjchem-2099	246	16	around	around	ADP
eurjchem-2099	246	17	the	the	DET
eurjchem-2099	246	18	oxygen	oxygen	NOUN
eurjchem-2099	246	19	and	and	CCONJ
eurjchem-2099	246	20	hydrogen	hydrogen	NOUN
eurjchem-2099	246	21	atoms	atom	NOUN
eurjchem-2099	246	22	,	,	PUNCT
eurjchem-2099	246	23	respectively	respectively	ADV
eurjchem-2099	246	24	.	.	PUNCT
eurjchem-2099	247	1	acknowledgement	acknowledgement	PROPN
eurjchem-2099	247	2	akhileshwari	akhileshwari	PROPN
eurjchem-2099	247	3	prabhuswamy	prabhuswamy	NOUN
eurjchem-2099	247	4	was	be	AUX
eurjchem-2099	247	5	thankful	thankful	ADJ
eurjchem-2099	247	6	to	to	ADP
eurjchem-2099	247	7	the	the	DET
eurjchem-2099	247	8	karnataka	karnataka	PROPN
eurjchem-2099	247	9	science	science	PROPN
eurjchem-2099	247	10	and	and	CCONJ
eurjchem-2099	247	11	technology	technology	PROPN
eurjchem-2099	247	12	promotion	promotion	NOUN
eurjchem-2099	247	13	society	society	NOUN
eurjchem-2099	247	14	(	(	PUNCT
eurjchem-2099	247	15	ksteps	ksteps	PROPN
eurjchem-2099	247	16	)	)	PUNCT
eurjchem-2099	247	17	,	,	PUNCT
eurjchem-2099	247	18	dst	dst	PROPN
eurjchem-2099	247	19	,	,	PUNCT
eurjchem-2099	247	20	government	government	NOUN
eurjchem-2099	247	21	of	of	ADP
eurjchem-2099	247	22	karnataka	karnataka	NOUN
eurjchem-2099	247	23	for	for	ADP
eurjchem-2099	247	24	providing	provide	VERB
eurjchem-2099	247	25	the	the	DET
eurjchem-2099	247	26	fellowship	fellowship	NOUN
eurjchem-2099	247	27	.	.	PUNCT
eurjchem-2099	248	1	yasser	yasser	PROPN
eurjchem-2099	248	2	hussein	hussein	PROPN
eurjchem-2099	248	3	eissa	eissa	PROPN
eurjchem-2099	248	4	mohammed	mohammed	PROPN
eurjchem-2099	248	5	is	be	AUX
eurjchem-2099	248	6	thankful	thankful	ADJ
eurjchem-2099	248	7	to	to	ADP
eurjchem-2099	248	8	the	the	DET
eurjchem-2099	248	9	university	university	PROPN
eurjchem-2099	248	10	of	of	ADP
eurjchem-2099	248	11	hajjah	hajjah	PROPN
eurjchem-2099	248	12	,	,	PUNCT
eurjchem-2099	248	13	yemen	yemen	PROPN
eurjchem-2099	248	14	.	.	PUNCT
eurjchem-2099	249	1	fares	fare	NOUN
eurjchem-2099	249	2	hezam	hezam	PROPN
eurjchem-2099	249	3	al	al	PROPN
eurjchem-2099	249	4	-	-	PUNCT
eurjchem-2099	249	5	ostoot	ostoot	NOUN
eurjchem-2099	249	6	thanks	thank	NOUN
eurjchem-2099	249	7	the	the	DET
eurjchem-2099	249	8	government	government	NOUN
eurjchem-2099	249	9	of	of	ADP
eurjchem-2099	249	10	yemen	yemen	PROPN
eurjchem-2099	249	11	and	and	CCONJ
eurjchem-2099	249	12	al	al	PROPN
eurjchem-2099	249	13	-	-	PUNCT
eurjchem-2099	249	14	baydha	baydha	PROPN
eurjchem-2099	249	15	university	university	PROPN
eurjchem-2099	249	16	,	,	PUNCT
eurjchem-2099	249	17	yemen	yemen	PROPN
eurjchem-2099	249	18	,	,	PUNCT
eurjchem-2099	249	19	for	for	ADP
eurjchem-2099	249	20	providing	provide	VERB
eurjchem-2099	249	21	financial	financial	ADJ
eurjchem-2099	249	22	assistance	assistance	NOUN
eurjchem-2099	249	23	under	under	ADP
eurjchem-2099	249	24	the	the	DET
eurjchem-2099	249	25	teacher	teacher	NOUN
eurjchem-2099	249	26	's	's	PART
eurjchem-2099	249	27	fellowship	fellowship	NOUN
eurjchem-2099	249	28	and	and	CCONJ
eurjchem-2099	249	29	mysore	mysore	NOUN
eurjchem-2099	249	30	university	university	NOUN
eurjchem-2099	249	31	,	,	PUNCT
eurjchem-2099	249	32	mysuru	mysuru	PROPN
eurjchem-2099	249	33	,	,	PUNCT
eurjchem-2099	249	34	india	india	PROPN
eurjchem-2099	249	35	.	.	PROPN
eurjchem-2099	250	1	shaukath	shaukath	PROPN
eurjchem-2099	250	2	ara	ara	PROPN
eurjchem-2099	250	3	khanum	khanum	PROPN
eurjchem-2099	250	4	thanks	thank	NOUN
eurjchem-2099	250	5	the	the	DET
eurjchem-2099	250	6	financial	financial	ADJ
eurjchem-2099	250	7	support	support	NOUN
eurjchem-2099	250	8	provided	provide	VERB
eurjchem-2099	250	9	by	by	ADP
eurjchem-2099	250	10	vgst	vgst	PROPN
eurjchem-2099	250	11	,	,	PUNCT
eurjchem-2099	250	12	bengaluru	bengaluru	PROPN
eurjchem-2099	250	13	,	,	PUNCT
eurjchem-2099	250	14	under	under	ADP
eurjchem-2099	250	15	the	the	DET
eurjchem-2099	250	16	cisee	cisee	NOUN
eurjchem-2099	250	17	program	program	NOUN
eurjchem-2099	250	18	[	[	X
eurjchem-2099	250	19	project	project	NOUN
eurjchem-2099	250	20	sanction	sanction	NOUN
eurjchem-2099	250	21	order	order	NOUN
eurjchem-2099	250	22	:	:	PUNCT
eurjchem-2099	250	23	no	no	INTJ
eurjchem-2099	250	24	.	.	PUNCT
eurjchem-2099	250	25	vgst	vgst	PROPN
eurjchem-2099	250	26	/	/	SYM
eurjchem-2099	250	27	cisee/282	cisee/282	PROPN
eurjchem-2099	250	28	]	]	PUNCT
eurjchem-2099	250	29	.	.	PUNCT
eurjchem-2099	251	1	supporting	support	VERB
eurjchem-2099	251	2	information	information	NOUN
eurjchem-2099	251	3	ccdc-1949545	ccdc-1949545	NOUN
eurjchem-2099	251	4	contains	contain	VERB
eurjchem-2099	251	5	the	the	DET
eurjchem-2099	251	6	supplementary	supplementary	ADJ
eurjchem-2099	251	7	crystallographic	crystallographic	ADJ
eurjchem-2099	251	8	data	datum	NOUN
eurjchem-2099	251	9	for	for	ADP
eurjchem-2099	251	10	this	this	DET
eurjchem-2099	251	11	paper	paper	NOUN
eurjchem-2099	251	12	.	.	PUNCT
eurjchem-2099	252	1	these	these	DET
eurjchem-2099	252	2	data	datum	NOUN
eurjchem-2099	252	3	can	can	AUX
eurjchem-2099	252	4	be	be	AUX
eurjchem-2099	252	5	obtained	obtain	VERB
eurjchem-2099	252	6	free	free	ADJ
eurjchem-2099	252	7	of	of	ADP
eurjchem-2099	252	8	charge	charge	NOUN
eurjchem-2099	252	9	via	via	ADP
eurjchem-2099	252	10	https://www.ccdc.cam.ac.uk/structures/	https://www.ccdc.cam.ac.uk/structures/	PROPN
eurjchem-2099	252	11	or	or	CCONJ
eurjchem-2099	252	12	by	by	ADP
eurjchem-2099	252	13	emailing	email	VERB
eurjchem-2099	252	14	data_request@ccdc.cam.ac.uk	data_request@ccdc.cam.ac.uk	PROPN
eurjchem-2099	252	15	or	or	CCONJ
eurjchem-2099	252	16	by	by	ADP
eurjchem-2099	252	17	contacting	contact	VERB
eurjchem-2099	252	18	the	the	DET
eurjchem-2099	252	19	cambridge	cambridge	PROPN
eurjchem-2099	252	20	crystallographic	crystallographic	PROPN
eurjchem-2099	252	21	data	data	PROPN
eurjchem-2099	252	22	centre	centre	NOUN
eurjchem-2099	252	23	,	,	PUNCT
eurjchem-2099	252	24	12	12	NUM
eurjchem-2099	252	25	union	union	NOUN
eurjchem-2099	252	26	road	road	NOUN
eurjchem-2099	252	27	,	,	PUNCT
eurjchem-2099	252	28	cambridge	cambridge	PROPN
eurjchem-2099	252	29	cb2	cb2	PROPN
eurjchem-2099	252	30	1ez	1ez	PROPN
eurjchem-2099	252	31	,	,	PUNCT
eurjchem-2099	252	32	uk	uk	PROPN
eurjchem-2099	252	33	;	;	PUNCT
eurjchem-2099	252	34	fax	fax	NOUN
eurjchem-2099	252	35	:	:	PUNCT
eurjchem-2099	252	36	+44(0)1223	+44(0)1223	PROPN
eurjchem-2099	252	37	-	-	PUNCT
eurjchem-2099	252	38	336033	336033	NUM
eurjchem-2099	252	39	.	.	PUNCT
eurjchem-2099	253	1	disclosure	disclosure	NOUN
eurjchem-2099	253	2	statement	statement	NOUN
eurjchem-2099	253	3	conflict	conflict	NOUN
eurjchem-2099	253	4	of	of	ADP
eurjchem-2099	253	5	interests	interest	NOUN
eurjchem-2099	253	6	:	:	PUNCT
eurjchem-2099	253	7	the	the	DET
eurjchem-2099	253	8	authors	author	NOUN
eurjchem-2099	253	9	declare	declare	VERB
eurjchem-2099	253	10	that	that	SCONJ
eurjchem-2099	253	11	they	they	PRON
eurjchem-2099	253	12	have	have	VERB
eurjchem-2099	253	13	no	no	DET
eurjchem-2099	253	14	conflict	conflict	NOUN
eurjchem-2099	253	15	of	of	ADP
eurjchem-2099	253	16	interest	interest	NOUN
eurjchem-2099	253	17	.	.	PUNCT
eurjchem-2099	254	1	author	author	NOUN
eurjchem-2099	254	2	contributions	contribution	NOUN
eurjchem-2099	254	3	:	:	PUNCT
eurjchem-2099	254	4	all	all	DET
eurjchem-2099	254	5	authors	author	NOUN
eurjchem-2099	254	6	contributed	contribute	VERB
eurjchem-2099	254	7	equally	equally	ADV
eurjchem-2099	254	8	to	to	ADP
eurjchem-2099	254	9	this	this	DET
eurjchem-2099	254	10	work	work	NOUN
eurjchem-2099	254	11	.	.	PUNCT
eurjchem-2099	255	1	ethical	ethical	ADJ
eurjchem-2099	255	2	approval	approval	NOUN
eurjchem-2099	255	3	:	:	PUNCT
eurjchem-2099	256	1	all	all	DET
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eurjchem-2099	256	3	guidelines	guideline	NOUN
eurjchem-2099	256	4	have	have	AUX
eurjchem-2099	256	5	been	be	AUX
eurjchem-2099	256	6	adhered	adhere	VERB
eurjchem-2099	256	7	.	.	PUNCT
eurjchem-2099	257	1	sample	sample	NOUN
eurjchem-2099	257	2	availability	availability	NOUN
eurjchem-2099	257	3	:	:	PUNCT
eurjchem-2099	257	4	samples	sample	NOUN
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eurjchem-2099	257	6	the	the	DET
eurjchem-2099	257	7	compounds	compound	NOUN
eurjchem-2099	257	8	are	be	AUX
eurjchem-2099	257	9	available	available	ADJ
eurjchem-2099	257	10	from	from	ADP
eurjchem-2099	257	11	the	the	DET
eurjchem-2099	257	12	author	author	NOUN
eurjchem-2099	257	13	.	.	PUNCT
eurjchem-2099	258	1	orcid	orcid	NOUN
eurjchem-2099	258	2	akhileshwari	akhileshwari	ADJ
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eurjchem-2099	258	5	yasser	yasser	PROPN
eurjchem-2099	258	6	hussein	hussein	PROPN
eurjchem-2099	258	7	eissa	eissa	PROPN
eurjchem-2099	258	8	mohammed	mohammed	PROPN
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eurjchem-2099	258	12	al	al	PROPN
eurjchem-2099	258	13	-	-	PUNCT
eurjchem-2099	258	14	ostoot	ostoot	NOUN
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eurjchem-2099	258	16	geetha	geetha	PROPN
eurjchem-2099	258	17	doddanahalli	doddanahalli	PROPN
eurjchem-2099	258	18	venkatesh	venkatesh	PROPN
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eurjchem-2099	258	20	sridhar	sridhar	PROPN
eurjchem-2099	258	21	mandayam	mandayam	PROPN
eurjchem-2099	258	22	anandalwar	anandalwar	PROPN
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eurjchem-2099	258	25	ara	ara	PROPN
eurjchem-2099	258	26	khanum	khanum	PROPN
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eurjchem-2099	258	28	lokanath	lokanath	PROPN
eurjchem-2099	258	29	neratur	neratur	PROPN
eurjchem-2099	258	30	krishnappagowda	krishnappagowda	PROPN
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eurjchem-2099	258	32	references	reference	NOUN
eurjchem-2099	258	33	[	[	X
eurjchem-2099	258	34	1	1	NUM
eurjchem-2099	258	35	]	]	PUNCT
eurjchem-2099	258	36	.	.	PUNCT
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eurjchem-2099	259	2	,	,	PUNCT
eurjchem-2099	259	3	d.	d.	PROPN
eurjchem-2099	259	4	v.	v.	PROPN
eurjchem-2099	259	5	;	;	PUNCT
eurjchem-2099	259	6	al	al	PROPN
eurjchem-2099	259	7	-	-	PUNCT
eurjchem-2099	259	8	ostoot	ostoot	PROPN
eurjchem-2099	259	9	,	,	PUNCT
eurjchem-2099	259	10	f.	f.	PROPN
eurjchem-2099	259	11	h.	h.	PROPN
eurjchem-2099	259	12	;	;	PUNCT
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eurjchem-2099	259	18	;	;	PUNCT
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eurjchem-2099	259	22	a.	a.	PROPN
eurjchem-2099	259	23	;	;	PUNCT
eurjchem-2099	259	24	khanum	khanum	PROPN
eurjchem-2099	259	25	,	,	PUNCT
eurjchem-2099	259	26	s.	s.	PROPN
eurjchem-2099	259	27	a.	a.	PROPN
eurjchem-2099	259	28	;	;	PUNCT
eurjchem-2099	259	29	lokanath	lokanath	PROPN
eurjchem-2099	259	30	,	,	PUNCT
eurjchem-2099	259	31	n.	n.	PROPN
eurjchem-2099	259	32	k.	k.	PROPN
eurjchem-2099	260	1	j.	j.	PROPN
eurjchem-2099	260	2	mol	mol	PROPN
eurjchem-2099	260	3	.	.	PROPN
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eurjchem-2099	260	5	.	.	PUNCT
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eurjchem-2099	261	2	,	,	PUNCT
eurjchem-2099	261	3	1178	1178	NUM
eurjchem-2099	261	4	,	,	PUNCT
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eurjchem-2099	261	6	.	.	PUNCT
eurjchem-2099	262	1	[	[	X
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eurjchem-2099	262	3	]	]	PUNCT
eurjchem-2099	262	4	.	.	PUNCT
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eurjchem-2099	262	6	,	,	PUNCT
eurjchem-2099	262	7	g.	g.	PROPN
eurjchem-2099	262	8	;	;	PUNCT
eurjchem-2099	262	9	anthal	anthal	NOUN
eurjchem-2099	262	10	,	,	PUNCT
eurjchem-2099	262	11	s.	s.	PROPN
eurjchem-2099	262	12	;	;	PUNCT
eurjchem-2099	262	13	geetha	geetha	PROPN
eurjchem-2099	262	14	,	,	PUNCT
eurjchem-2099	262	15	d.	d.	PROPN
eurjchem-2099	262	16	v.	v.	PROPN
eurjchem-2099	262	17	;	;	PUNCT
eurjchem-2099	262	18	al	al	PROPN
eurjchem-2099	262	19	-	-	PUNCT
eurjchem-2099	262	20	ostoot	ostoot	PROPN
eurjchem-2099	262	21	,	,	PUNCT
eurjchem-2099	262	22	f.	f.	PROPN
eurjchem-2099	262	23	h.	h.	PROPN
eurjchem-2099	262	24	;	;	PUNCT
eurjchem-2099	262	25	hussein	hussein	PROPN
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eurjchem-2099	262	28	,	,	PUNCT
eurjchem-2099	262	29	y.	y.	PROPN
eurjchem-2099	262	30	;	;	PUNCT
eurjchem-2099	262	31	ara	ara	PROPN
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eurjchem-2099	262	33	,	,	PUNCT
eurjchem-2099	262	34	s.	s.	PROPN
eurjchem-2099	262	35	;	;	PUNCT
eurjchem-2099	262	36	sridhar	sridhar	PROPN
eurjchem-2099	262	37	,	,	PUNCT
eurjchem-2099	262	38	m.	m.	NOUN
eurjchem-2099	262	39	a.	a.	PROPN
eurjchem-2099	262	40	;	;	PUNCT
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eurjchem-2099	265	2	.	.	PUNCT
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eurjchem-2099	266	2	,	,	PUNCT
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eurjchem-2099	266	6	)	)	PUNCT
eurjchem-2099	266	7	,	,	PUNCT
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eurjchem-2099	266	9	.	.	PUNCT
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eurjchem-2099	267	2	3	3	NUM
eurjchem-2099	267	3	]	]	PUNCT
eurjchem-2099	267	4	.	.	PUNCT
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eurjchem-2099	268	2	,	,	PUNCT
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eurjchem-2099	268	4	h.	h.	PROPN
eurjchem-2099	268	5	e.	e.	PROPN
eurjchem-2099	268	6	;	;	PUNCT
eurjchem-2099	268	7	malojirao	malojirao	PROPN
eurjchem-2099	268	8	,	,	PUNCT
eurjchem-2099	268	9	v.	v.	PROPN
eurjchem-2099	268	10	h.	h.	PROPN
eurjchem-2099	268	11	;	;	PUNCT
eurjchem-2099	268	12	thirusangu	thirusangu	PROPN
eurjchem-2099	268	13	,	,	PUNCT
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eurjchem-2099	268	15	;	;	PUNCT
eurjchem-2099	268	16	al	al	PROPN
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eurjchem-2099	268	21	;	;	PUNCT
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eurjchem-2099	268	24	b.	b.	PROPN
eurjchem-2099	268	25	t.	t.	PROPN
eurjchem-2099	268	26	;	;	PUNCT
eurjchem-2099	268	27	khanum	khanum	PROPN
eurjchem-2099	268	28	,	,	PUNCT
eurjchem-2099	268	29	s.	s.	PROPN
eurjchem-2099	268	30	a.	a.	PROPN
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eurjchem-2099	268	32	.	.	PUNCT
eurjchem-2099	269	1	j.	j.	PROPN
eurjchem-2099	269	2	med	med	PROPN
eurjchem-2099	269	3	.	.	PROPN
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eurjchem-2099	269	5	.	.	PUNCT
eurjchem-2099	270	1	2018	2018	NUM
eurjchem-2099	270	2	,	,	PUNCT
eurjchem-2099	270	3	143	143	NUM
eurjchem-2099	270	4	,	,	PUNCT
eurjchem-2099	270	5	1826	1826	NUM
eurjchem-2099	270	6	–	–	PUNCT
eurjchem-2099	270	7	1839	1839	NUM
eurjchem-2099	270	8	.	.	PUNCT
eurjchem-2099	271	1	[	[	X
eurjchem-2099	271	2	4	4	NUM
eurjchem-2099	271	3	]	]	PUNCT
eurjchem-2099	271	4	.	.	PUNCT
eurjchem-2099	272	1	haupt	haupt	PROPN
eurjchem-2099	272	2	,	,	PUNCT
eurjchem-2099	272	3	k.	k.	PROPN
eurjchem-2099	272	4	;	;	PUNCT
eurjchem-2099	272	5	dzgoev	dzgoev	NOUN
eurjchem-2099	272	6	,	,	PUNCT
eurjchem-2099	272	7	a.	a.	NOUN
eurjchem-2099	272	8	;	;	PUNCT
eurjchem-2099	272	9	mosbach	mosbach	NOUN
eurjchem-2099	272	10	,	,	PUNCT
eurjchem-2099	272	11	k.	k.	PROPN
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eurjchem-2099	272	13	.	.	PUNCT
eurjchem-2099	273	1	chem	chem	PROPN
eurjchem-2099	273	2	.	.	PUNCT
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eurjchem-2099	274	2	,	,	PUNCT
eurjchem-2099	274	3	70	70	NUM
eurjchem-2099	274	4	(	(	PUNCT
eurjchem-2099	274	5	3	3	NUM
eurjchem-2099	274	6	)	)	PUNCT
eurjchem-2099	274	7	,	,	PUNCT
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eurjchem-2099	274	9	.	.	PUNCT
eurjchem-2099	275	1	[	[	X
eurjchem-2099	275	2	5	5	NUM
eurjchem-2099	275	3	]	]	PUNCT
eurjchem-2099	275	4	.	.	PUNCT
eurjchem-2099	276	1	zhang	zhang	PROPN
eurjchem-2099	276	2	,	,	PUNCT
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eurjchem-2099	276	4	;	;	PUNCT
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eurjchem-2099	276	6	,	,	PUNCT
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eurjchem-2099	276	8	;	;	PUNCT
eurjchem-2099	276	9	zong	zong	PROPN
eurjchem-2099	276	10	,	,	PUNCT
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eurjchem-2099	276	12	;	;	PUNCT
eurjchem-2099	276	13	chen	chen	PROPN
eurjchem-2099	276	14	,	,	PUNCT
eurjchem-2099	276	15	t.	t.	PROPN
eurjchem-2099	276	16	;	;	PUNCT
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eurjchem-2099	278	2	.	.	PROPN
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eurjchem-2099	278	4	,	,	PUNCT
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eurjchem-2099	278	7	1	1	NUM
eurjchem-2099	278	8	)	)	PUNCT
eurjchem-2099	278	9	,	,	PUNCT
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eurjchem-2099	278	11	.	.	PUNCT
eurjchem-2099	279	1	[	[	X
eurjchem-2099	279	2	6	6	NUM
eurjchem-2099	279	3	]	]	PUNCT
eurjchem-2099	279	4	.	.	PUNCT
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eurjchem-2099	280	2	,	,	PUNCT
eurjchem-2099	280	3	s.	s.	PROPN
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eurjchem-2099	280	5	;	;	PUNCT
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eurjchem-2099	280	7	,	,	PUNCT
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eurjchem-2099	280	10	;	;	PUNCT
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eurjchem-2099	280	12	,	,	PUNCT
eurjchem-2099	280	13	n.	n.	PROPN
eurjchem-2099	280	14	s.	s.	PROPN
eurjchem-2099	280	15	;	;	PUNCT
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eurjchem-2099	280	20	;	;	PUNCT
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eurjchem-2099	280	25	;	;	PUNCT
eurjchem-2099	280	26	bhavale	bhavale	PROPN
eurjchem-2099	280	27	,	,	PUNCT
eurjchem-2099	280	28	s.	s.	PROPN
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eurjchem-2099	280	30	;	;	PUNCT
eurjchem-2099	280	31	begum	begum	PROPN
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eurjchem-2099	280	34	bioorg	bioorg	PROPN
eurjchem-2099	280	35	.	.	PUNCT
eurjchem-2099	281	1	med	med	PROPN
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eurjchem-2099	283	2	,	,	PUNCT
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eurjchem-2099	283	4	(	(	PUNCT
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eurjchem-2099	283	7	,	,	PUNCT
eurjchem-2099	283	8	2155	2155	NUM
eurjchem-2099	283	9	–	–	PUNCT
eurjchem-2099	283	10	2158	2158	NUM
eurjchem-2099	283	11	.	.	PUNCT
eurjchem-2099	284	1	[	[	X
eurjchem-2099	284	2	7	7	NUM
eurjchem-2099	284	3	]	]	PUNCT
eurjchem-2099	284	4	.	.	PUNCT
eurjchem-2099	285	1	begum	begum	PROPN
eurjchem-2099	285	2	,	,	PUNCT
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eurjchem-2099	285	4	;	;	PUNCT
eurjchem-2099	285	5	bharathi	bharathi	PROPN
eurjchem-2099	285	6	,	,	PUNCT
eurjchem-2099	285	7	k.	k.	PROPN
eurjchem-2099	285	8	;	;	PUNCT
eurjchem-2099	285	9	prasad	prasad	PROPN
eurjchem-2099	285	10	,	,	PUNCT
eurjchem-2099	285	11	k.	k.	PROPN
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eurjchem-2099	288	7	10	10	NUM
eurjchem-2099	288	8	)	)	PUNCT
eurjchem-2099	288	9	,	,	PUNCT
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eurjchem-2099	289	2	8	8	NUM
eurjchem-2099	289	3	]	]	PUNCT
eurjchem-2099	289	4	.	.	PUNCT
eurjchem-2099	290	1	wang	wang	PROPN
eurjchem-2099	290	2	,	,	PUNCT
eurjchem-2099	290	3	x.	x.	PROPN
eurjchem-2099	290	4	;	;	PUNCT
eurjchem-2099	290	5	zhao	zhao	X
eurjchem-2099	290	6	,	,	PUNCT
eurjchem-2099	290	7	t.	t.	PROPN
eurjchem-2099	290	8	;	;	PUNCT
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eurjchem-2099	290	20	;	;	PUNCT
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eurjchem-2099	290	26	,	,	PUNCT
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eurjchem-2099	290	28	;	;	PUNCT
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eurjchem-2099	290	30	,	,	PUNCT
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eurjchem-2099	290	32	;	;	PUNCT
eurjchem-2099	290	33	huang	huang	PROPN
eurjchem-2099	290	34	,	,	PUNCT
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eurjchem-2099	290	36	;	;	PUNCT
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eurjchem-2099	290	38	,	,	PUNCT
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eurjchem-2099	290	41	.	.	PUNCT
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eurjchem-2099	291	4	.	.	PUNCT
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eurjchem-2099	292	2	,	,	PUNCT
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eurjchem-2099	292	4	(	(	PUNCT
eurjchem-2099	292	5	1	1	NUM
eurjchem-2099	292	6	)	)	PUNCT
eurjchem-2099	292	7	,	,	PUNCT
eurjchem-2099	292	8	132–140	132–140	NUM
eurjchem-2099	292	9	.	.	PUNCT
eurjchem-2099	293	1	[	[	X
eurjchem-2099	293	2	9	9	NUM
eurjchem-2099	293	3	]	]	PUNCT
eurjchem-2099	293	4	.	.	PUNCT
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eurjchem-2099	293	6	,	,	PUNCT
eurjchem-2099	293	7	k.	k.	PROPN
eurjchem-2099	293	8	;	;	PUNCT
eurjchem-2099	293	9	al	al	PROPN
eurjchem-2099	293	10	-	-	PUNCT
eurjchem-2099	293	11	ostoot	ostoot	PROPN
eurjchem-2099	293	12	,	,	PUNCT
eurjchem-2099	293	13	f.	f.	PROPN
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eurjchem-2099	293	23	,	,	PUNCT
eurjchem-2099	293	24	s.	s.	PROPN
eurjchem-2099	293	25	a.	a.	PROPN
eurjchem-2099	293	26	;	;	PUNCT
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eurjchem-2099	293	28	,	,	PUNCT
eurjchem-2099	293	29	n.	n.	PROPN
eurjchem-2099	293	30	k.	k.	PROPN
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eurjchem-2099	295	2	,	,	PUNCT
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eurjchem-2099	295	4	(	(	PUNCT
eurjchem-2099	295	5	100195	100195	NUM
eurjchem-2099	295	6	)	)	PUNCT
eurjchem-2099	295	7	,	,	PUNCT
eurjchem-2099	295	8	100195	100195	NUM
eurjchem-2099	295	9	.	.	PUNCT
eurjchem-2099	296	1	[	[	X
eurjchem-2099	296	2	10	10	NUM
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eurjchem-2099	296	4	.	.	PUNCT
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eurjchem-2099	297	2	,	,	PUNCT
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eurjchem-2099	297	4	;	;	PUNCT
eurjchem-2099	297	5	kawagoe	kawagoe	VERB
eurjchem-2099	297	6	,	,	PUNCT
eurjchem-2099	297	7	k.	k.	PROPN
eurjchem-2099	297	8	;	;	PUNCT
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eurjchem-2099	297	11	a.	a.	PROPN
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eurjchem-2099	297	14	,	,	PUNCT
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eurjchem-2099	297	16	;	;	PUNCT
eurjchem-2099	297	17	hosokami	hosokami	NOUN
eurjchem-2099	297	18	,	,	PUNCT
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eurjchem-2099	297	20	;	;	PUNCT
eurjchem-2099	297	21	ogihara	ogihara	PROPN
eurjchem-2099	297	22	,	,	PUNCT
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eurjchem-2099	297	24	;	;	PUNCT
eurjchem-2099	297	25	honda	honda	NOUN
eurjchem-2099	297	26	,	,	PUNCT
eurjchem-2099	297	27	y.	y.	PROPN
eurjchem-2099	297	28	;	;	PUNCT
eurjchem-2099	297	29	yokohama	yokohama	PROPN
eurjchem-2099	297	30	,	,	PUNCT
eurjchem-2099	297	31	s.	s.	PROPN
eurjchem-2099	297	32	chem	chem	PROPN
eurjchem-2099	297	33	.	.	PUNCT
eurjchem-2099	298	1	pharm	pharm	NOUN
eurjchem-2099	298	2	.	.	PUNCT
eurjchem-2099	299	1	bull	bull	NOUN
eurjchem-2099	299	2	.	.	PUNCT
eurjchem-2099	300	1	(	(	PUNCT
eurjchem-2099	300	2	tokyo	tokyo	PROPN
eurjchem-2099	300	3	)	)	PUNCT
eurjchem-2099	300	4	1998	1998	NUM
eurjchem-2099	300	5	,	,	PUNCT
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eurjchem-2099	300	7	(	(	PUNCT
eurjchem-2099	300	8	3	3	NUM
eurjchem-2099	300	9	)	)	PUNCT
eurjchem-2099	300	10	,	,	PUNCT
eurjchem-2099	300	11	434–444	434–444	NUM
eurjchem-2099	300	12	.	.	PUNCT
eurjchem-2099	301	1	[	[	X
eurjchem-2099	301	2	11	11	NUM
eurjchem-2099	301	3	]	]	PUNCT
eurjchem-2099	301	4	.	.	PUNCT
eurjchem-2099	302	1	dahiya	dahiya	PROPN
eurjchem-2099	302	2	,	,	PUNCT
eurjchem-2099	302	3	r.	r.	PROPN
eurjchem-2099	302	4	;	;	PUNCT
eurjchem-2099	302	5	kaur	kaur	PROPN
eurjchem-2099	302	6	,	,	PUNCT
eurjchem-2099	302	7	r.	r.	PROPN
eurjchem-2099	302	8	aust	aust	PROPN
eurjchem-2099	302	9	.	.	PUNCT
eurjchem-2099	303	1	j.	j.	PROPN
eurjchem-2099	303	2	basic	basic	PROPN
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eurjchem-2099	303	4	.	.	PUNCT
eurjchem-2099	304	1	sci	sci	PROPN
eurjchem-2099	304	2	.	.	PROPN
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eurjchem-2099	304	4	,	,	PUNCT
eurjchem-2099	304	5	1	1	NUM
eurjchem-2099	304	6	(	(	PUNCT
eurjchem-2099	304	7	4	4	NUM
eurjchem-2099	304	8	)	)	PUNCT
eurjchem-2099	304	9	,	,	PUNCT
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eurjchem-2099	304	11	-	-	SYM
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eurjchem-2099	304	13	.	.	PUNCT
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eurjchem-2099	305	5	31	31	NUM
eurjchem-2099	305	6	,	,	PUNCT
eurjchem-2099	305	7	2021	2021	NUM
eurjchem-2099	305	8	)	)	PUNCT
eurjchem-2099	305	9	.	.	PUNCT
eurjchem-2099	306	1	[	[	X
eurjchem-2099	306	2	12	12	NUM
eurjchem-2099	306	3	]	]	PUNCT
eurjchem-2099	306	4	.	.	PUNCT
eurjchem-2099	307	1	shahar	shahar	PROPN
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eurjchem-2099	307	3	,	,	PUNCT
eurjchem-2099	307	4	m.	m.	NOUN
eurjchem-2099	307	5	;	;	PUNCT
eurjchem-2099	307	6	bakht	bakht	NOUN
eurjchem-2099	307	7	,	,	PUNCT
eurjchem-2099	307	8	m.	m.	NOUN
eurjchem-2099	307	9	a.	a.	PROPN
eurjchem-2099	307	10	;	;	PUNCT
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eurjchem-2099	307	12	,	,	PUNCT
eurjchem-2099	307	13	a.	a.	NOUN
eurjchem-2099	307	14	a.	a.	PROPN
eurjchem-2099	307	15	;	;	PUNCT
eurjchem-2099	307	16	abdullah	abdullah	PROPN
eurjchem-2099	307	17	,	,	PUNCT
eurjchem-2099	307	18	m.	m.	NOUN
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eurjchem-2099	307	20	;	;	PUNCT
eurjchem-2099	307	21	de	de	X
eurjchem-2099	307	22	clercq	clercq	PROPN
eurjchem-2099	307	23	,	,	PUNCT
eurjchem-2099	307	24	e.	e.	PROPN
eurjchem-2099	307	25	j.	j.	PROPN
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eurjchem-2099	307	28	.	.	PUNCT
eurjchem-2099	308	1	med	med	PROPN
eurjchem-2099	308	2	.	.	PROPN
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eurjchem-2099	308	4	.	.	PUNCT
eurjchem-2099	309	1	2009	2009	NUM
eurjchem-2099	309	2	,	,	PUNCT
eurjchem-2099	309	3	24	24	NUM
eurjchem-2099	309	4	(	(	PUNCT
eurjchem-2099	309	5	3	3	NUM
eurjchem-2099	309	6	)	)	PUNCT
eurjchem-2099	309	7	,	,	PUNCT
eurjchem-2099	309	8	876–882	876–882	NUM
eurjchem-2099	309	9	.	.	PUNCT
eurjchem-2099	310	1	[	[	X
eurjchem-2099	310	2	13	13	NUM
eurjchem-2099	310	3	]	]	SYM
eurjchem-2099	310	4	.	.	PUNCT
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eurjchem-2099	310	6	,	,	PUNCT
eurjchem-2099	310	7	p.	p.	NOUN
eurjchem-2099	310	8	m.	m.	NOUN
eurjchem-2099	310	9	;	;	PUNCT
eurjchem-2099	310	10	yakaiah	yakaiah	PROPN
eurjchem-2099	310	11	,	,	PUNCT
eurjchem-2099	310	12	t.	t.	PROPN
eurjchem-2099	310	13	;	;	PUNCT
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eurjchem-2099	310	15	,	,	PUNCT
eurjchem-2099	310	16	a.	a.	PROPN
eurjchem-2099	310	17	r.	r.	PROPN
eurjchem-2099	310	18	r.	r.	PROPN
eurjchem-2099	310	19	;	;	PUNCT
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eurjchem-2099	310	21	,	,	PUNCT
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eurjchem-2099	310	23	;	;	PUNCT
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eurjchem-2099	310	25	,	,	PUNCT
eurjchem-2099	310	26	n.	n.	PROPN
eurjchem-2099	310	27	c.	c.	PROPN
eurjchem-2099	310	28	;	;	PUNCT
eurjchem-2099	310	29	sridhar	sridhar	PROPN
eurjchem-2099	310	30	,	,	PUNCT
eurjchem-2099	310	31	v.	v.	PROPN
eurjchem-2099	310	32	;	;	PUNCT
eurjchem-2099	310	33	rao	rao	PROPN
eurjchem-2099	310	34	,	,	PUNCT
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eurjchem-2099	310	38	.	.	PUNCT
eurjchem-2099	311	1	j.	j.	PROPN
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eurjchem-2099	311	3	.	.	PROPN
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eurjchem-2099	311	5	.	.	PUNCT
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eurjchem-2099	312	2	,	,	PUNCT
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eurjchem-2099	312	4	(	(	PUNCT
eurjchem-2099	312	5	4	4	NUM
eurjchem-2099	312	6	)	)	PUNCT
eurjchem-2099	312	7	,	,	PUNCT
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eurjchem-2099	312	9	.	.	PUNCT
eurjchem-2099	313	1	[	[	X
eurjchem-2099	313	2	14	14	NUM
eurjchem-2099	313	3	]	]	PUNCT
eurjchem-2099	313	4	.	.	PUNCT
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eurjchem-2099	314	2	,	,	PUNCT
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eurjchem-2099	314	4	;	;	PUNCT
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eurjchem-2099	314	6	,	,	PUNCT
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eurjchem-2099	314	8	,	,	PUNCT
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eurjchem-2099	314	14	,	,	PUNCT
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eurjchem-2099	314	16	;	;	PUNCT
eurjchem-2099	314	17	hashim	hashim	PROPN
eurjchem-2099	314	18	,	,	PUNCT
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eurjchem-2099	314	20	,	,	PUNCT
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eurjchem-2099	314	22	.	.	PUNCT
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eurjchem-2099	316	2	.	.	PUNCT
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eurjchem-2099	317	2	,	,	PUNCT
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eurjchem-2099	317	5	4	4	NUM
eurjchem-2099	317	6	)	)	PUNCT
eurjchem-2099	317	7	,	,	PUNCT
eurjchem-2099	317	8	405–415	405–415	NUM
eurjchem-2099	317	9	.	.	PUNCT
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eurjchem-2099	318	4	.	.	PUNCT
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eurjchem-2099	319	5	;	;	PUNCT
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eurjchem-2099	319	10	;	;	PUNCT
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eurjchem-2099	319	20	;	;	PUNCT
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eurjchem-2099	319	25	;	;	PUNCT
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eurjchem-2099	319	30	;	;	PUNCT
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eurjchem-2099	319	45	;	;	PUNCT
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eurjchem-2099	321	2	,	,	PUNCT
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eurjchem-2099	321	4	(	(	PUNCT
eurjchem-2099	321	5	17	17	NUM
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eurjchem-2099	321	7	,	,	PUNCT
eurjchem-2099	321	8	6287–6300	6287–6300	NUM
eurjchem-2099	321	9	.	.	PUNCT
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eurjchem-2099	322	2	16	16	NUM
eurjchem-2099	322	3	]	]	PUNCT
eurjchem-2099	322	4	.	.	PUNCT
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eurjchem-2099	323	2	,	,	PUNCT
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eurjchem-2099	323	4	;	;	PUNCT
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eurjchem-2099	323	6	,	,	PUNCT
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eurjchem-2099	323	8	;	;	PUNCT
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eurjchem-2099	330	4	.	.	PUNCT
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eurjchem-2099	332	2	,	,	PUNCT
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eurjchem-2099	333	4	.	.	PUNCT
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eurjchem-2099	364	2	,	,	PUNCT
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eurjchem-2099	364	7	,	,	PUNCT
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eurjchem-2099	365	2	26	26	NUM
eurjchem-2099	365	3	]	]	PUNCT
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eurjchem-2099	367	4	,	,	PUNCT
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eurjchem-2099	367	7	2	2	NUM
eurjchem-2099	367	8	)	)	PUNCT
eurjchem-2099	367	9	,	,	PUNCT
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eurjchem-2099	367	11	.	.	PUNCT
eurjchem-2099	368	1	[	[	X
eurjchem-2099	368	2	27	27	NUM
eurjchem-2099	368	3	]	]	PUNCT
eurjchem-2099	368	4	.	.	PUNCT
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eurjchem-2099	369	30	a.	a.	PROPN
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eurjchem-2099	369	34	s.	s.	PROPN
eurjchem-2099	369	35	a.	a.	PROPN
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eurjchem-2099	371	7	,	,	PUNCT
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eurjchem-2099	372	1	[	[	X
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eurjchem-2099	372	3	]	]	PUNCT
eurjchem-2099	372	4	.	.	PUNCT
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eurjchem-2099	373	29	s.	s.	PROPN
eurjchem-2099	373	30	a.	a.	PROPN
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eurjchem-2099	376	30	;	;	PUNCT
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eurjchem-2099	387	7	,	,	PUNCT
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eurjchem-2099	434	1	j.	j.	PROPN
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eurjchem-2099	435	7	,	,	PUNCT
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eurjchem-2099	435	9	.	.	PUNCT
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eurjchem-2099	444	53	european	european	PROPN
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eurjchem-2099	445	1	no	no	DET
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eurjchem-2099	446	4	use	use	NOUN
eurjchem-2099	446	5	of	of	ADP
eurjchem-2099	446	6	this	this	DET
eurjchem-2099	446	7	work	work	NOUN
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eurjchem-2099	446	14	(	(	PUNCT
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eurjchem-2099	446	25	european	european	PROPN
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eurjchem-2099	450	1	x	x	X
eurjchem-2099	450	2	-	-	PUNCT
eurjchem-2099	450	3	ray	ray	NOUN
eurjchem-2099	450	4	diffraction	diffraction	NOUN
eurjchem-2099	450	5	analysis	analysis	NOUN
eurjchem-2099	450	6	3	3	NUM
eurjchem-2099	450	7	.	.	NOUN
eurjchem-2099	450	8	results	result	NOUN
eurjchem-2099	450	9	and	and	CCONJ
eurjchem-2099	450	10	discussions	discussion	NOUN
eurjchem-2099	450	11	3.1	3.1	NUM
eurjchem-2099	450	12	.	.	PUNCT
eurjchem-2099	451	1	crystal	crystal	NOUN
eurjchem-2099	451	2	structure	structure	NOUN
eurjchem-2099	451	3	description	description	NOUN
eurjchem-2099	451	4	3.2	3.2	NUM
eurjchem-2099	451	5	.	.	PUNCT
eurjchem-2099	452	1	hirshfeld	hirshfeld	PROPN
eurjchem-2099	452	2	surface	surface	PROPN
eurjchem-2099	452	3	analysis	analysis	NOUN
eurjchem-2099	452	4	3.3	3.3	NUM
eurjchem-2099	452	5	.	.	PUNCT
eurjchem-2099	453	1	shape	shape	NOUN
eurjchem-2099	453	2	index	index	NOUN
eurjchem-2099	453	3	,	,	PUNCT
eurjchem-2099	453	4	curvedness	curvedness	ADJ
eurjchem-2099	453	5	,	,	PUNCT
eurjchem-2099	453	6	and	and	CCONJ
eurjchem-2099	453	7	electrostatic	electrostatic	ADJ
eurjchem-2099	453	8	potential	potential	ADJ
eurjchem-2099	453	9	3.4	3.4	NUM
eurjchem-2099	453	10	.	.	PUNCT
eurjchem-2099	454	1	3d	3d	NUM
eurjchem-2099	454	2	energy	energy	NOUN
eurjchem-2099	454	3	frameworks	framework	NOUN
eurjchem-2099	454	4	3.5	3.5	NUM
eurjchem-2099	454	5	.	.	PUNCT
eurjchem-2099	455	1	density	density	NOUN
eurjchem-2099	455	2	functional	functional	ADJ
eurjchem-2099	455	3	theory	theory	NOUN
eurjchem-2099	455	4	3.6	3.6	NUM
eurjchem-2099	455	5	.	.	PUNCT
eurjchem-2099	456	1	frontier	frontier	NOUN
eurjchem-2099	456	2	molecular	molecular	ADJ
eurjchem-2099	456	3	orbitals	orbital	NOUN
eurjchem-2099	456	4	3.7	3.7	NUM
eurjchem-2099	456	5	.	.	PUNCT
eurjchem-2099	457	1	molecular	molecular	ADJ
eurjchem-2099	457	2	electrostatic	electrostatic	ADJ
eurjchem-2099	457	3	potential	potential	ADJ
eurjchem-2099	457	4	4	4	NUM
eurjchem-2099	457	5	.	.	PUNCT
eurjchem-2099	458	1	conclusions	conclusion	NOUN
eurjchem-2099	458	2	acknowledgement	acknowledgement	NOUN
eurjchem-2099	458	3	supporting	support	VERB
eurjchem-2099	458	4	information	information	NOUN
eurjchem-2099	458	5	disclosure	disclosure	NOUN
eurjchem-2099	458	6	statement	statement	NOUN
eurjchem-2099	458	7	orcid	orcid	PROPN
eurjchem-2099	458	8	references	reference	NOUN
eurjchem-2099	458	9	printfield10	printfield10	NOUN
eurjchem-2099	458	10	:	:	PUNCT
eurjchem-2099	458	11	printfield11	printfield11	NOUN
eurjchem-2099	458	12	:	:	PUNCT
eurjchem-2099	458	13	printfield12	printfield12	PROPN
eurjchem-2099	458	14	:	:	PUNCT
eurjchem-2099	458	15	printfield13	printfield13	VERB
eurjchem-2099	458	16	:	:	PUNCT
eurjchem-2099	458	17	printfield14	printfield14	NOUN
eurjchem-2099	458	18	:	:	PUNCT
eurjchem-2099	458	19	printfield15	printfield15	NOUN
eurjchem-2099	458	20	:	:	PUNCT
eurjchem-2099	458	21	printfield16	printfield16	ADJ
eurjchem-2099	458	22	:	:	PUNCT
eurjchem-2099	458	23	printfield17	printfield17	NOUN
eurjchem-2099	458	24	:	:	PUNCT
eurjchem-2099	458	25	printfield18	printfield18	NOUN
eurjchem-2099	458	26	:	:	PUNCT
eurjchem-2099	458	27	printfield19	printfield19	NOUN
eurjchem-2099	458	28	:	:	PUNCT
eurjchem-2099	458	29	printfield20	printfield20	PROPN
eurjchem-2099	458	30	:	:	PUNCT
eurjchem-2099	458	31	printfield21	printfield21	ADJ
eurjchem-2099	458	32	:	:	PUNCT
eurjchem-2099	458	33	printfield22	printfield22	NOUN
eurjchem-2099	458	34	:	:	PUNCT
eurjchem-2099	458	35	printfield23	printfield23	NOUN
eurjchem-2099	458	36	:	:	PUNCT
eurjchem-2099	458	37	printfield24	printfield24	NOUN
eurjchem-2099	458	38	:	:	PUNCT
eurjchem-2099	458	39	printfield25	printfield25	NOUN
eurjchem-2099	458	40	:	:	PUNCT
eurjchem-2099	458	41	printfield26	printfield26	ADJ
eurjchem-2099	458	42	:	:	PUNCT
eurjchem-2099	458	43	printfield27	printfield27	NOUN
eurjchem-2099	458	44	:	:	PUNCT
eurjchem-2099	458	45	printfield28	printfield28	NOUN
eurjchem-2099	458	46	:	:	PUNCT
eurjchem-2099	458	47	printfield29	printfield29	ADV
eurjchem-2099	458	48	:	:	PUNCT