id	sid	tid	token	lemma	pos
eurjchem-2067	1	1	synthesis	synthesis	NOUN
eurjchem-2067	1	2	and	and	CCONJ
eurjchem-2067	1	3	detailed	detailed	ADJ
eurjchem-2067	1	4	characterization	characterization	NOUN
eurjchem-2067	1	5	of	of	ADP
eurjchem-2067	1	6	a	a	DET
eurjchem-2067	1	7	newly	newly	ADV
eurjchem-2067	1	8	synthesized	synthesize	VERB
eurjchem-2067	1	9	chalcone	chalcone	NOUN
eurjchem-2067	1	10	,	,	PUNCT
eurjchem-2067	1	11	3-(2,5	3-(2,5	NUM
eurjchem-2067	1	12	-	-	PUNCT
eurjchem-2067	1	13	dimethoxyphenyl)-1-(naphthalen-2	dimethoxyphenyl)-1-(naphthalen-2	NOUN
eurjchem-2067	1	14	-	-	PUNCT
eurjchem-2067	1	15	yl)prop-2	yl)prop-2	NOUN
eurjchem-2067	1	16	-	-	PUNCT
eurjchem-2067	1	17	en-1	en-1	NOUN
eurjchem-2067	1	18	-	-	PUNCT
eurjchem-2067	1	19	one	one	NUM
eurjchem-2067	1	20	european	european	ADJ
eurjchem-2067	1	21	journal	journal	NOUN
eurjchem-2067	1	22	of	of	ADP
eurjchem-2067	1	23	chemistry	chemistry	NOUN
eurjchem-2067	1	24	12	12	NUM
eurjchem-2067	1	25	(	(	PUNCT
eurjchem-2067	1	26	1	1	NUM
eurjchem-2067	1	27	)	)	PUNCT
eurjchem-2067	1	28	(	(	PUNCT
eurjchem-2067	1	29	2021	2021	NUM
eurjchem-2067	1	30	)	)	PUNCT
eurjchem-2067	1	31	69	69	NUM
eurjchem-2067	1	32	-	-	SYM
eurjchem-2067	1	33	76	76	NUM
eurjchem-2067	1	34	european	european	ADJ
eurjchem-2067	1	35	journal	journal	NOUN
eurjchem-2067	1	36	of	of	ADP
eurjchem-2067	1	37	chemistry	chemistry	NOUN
eurjchem-2067	1	38	issn	issn	VERB
eurjchem-2067	1	39	2153	2153	NUM
eurjchem-2067	1	40	-	-	SYM
eurjchem-2067	1	41	2249	2249	NUM
eurjchem-2067	1	42	(	(	PUNCT
eurjchem-2067	1	43	print	print	NOUN
eurjchem-2067	1	44	)	)	PUNCT
eurjchem-2067	1	45	/	/	PUNCT
eurjchem-2067	1	46	issn	issn	PROPN
eurjchem-2067	1	47	2153	2153	NUM
eurjchem-2067	1	48	-	-	SYM
eurjchem-2067	1	49	2257	2257	NUM
eurjchem-2067	1	50	(	(	PUNCT
eurjchem-2067	1	51	online	online	ADJ
eurjchem-2067	1	52	)	)	PUNCT
eurjchem-2067	1	53	–	–	PUNCT
eurjchem-2067	2	1	copyright	copyright	NOUN
eurjchem-2067	2	2	©	©	PROPN
eurjchem-2067	2	3	2021	2021	NUM
eurjchem-2067	2	4	the	the	DET
eurjchem-2067	2	5	authors	author	NOUN
eurjchem-2067	2	6	–	–	PUNCT
eurjchem-2067	2	7	atlanta	atlanta	PROPN
eurjchem-2067	2	8	publishing	publishing	PROPN
eurjchem-2067	2	9	house	house	PROPN
eurjchem-2067	2	10	llc	llc	PROPN
eurjchem-2067	2	11	–	–	PUNCT
eurjchem-2067	2	12	printed	print	VERB
eurjchem-2067	2	13	in	in	ADP
eurjchem-2067	2	14	the	the	DET
eurjchem-2067	2	15	usa	usa	PROPN
eurjchem-2067	2	16	.	.	PUNCT
eurjchem-2067	3	1	this	this	DET
eurjchem-2067	3	2	work	work	NOUN
eurjchem-2067	3	3	is	be	AUX
eurjchem-2067	3	4	published	publish	VERB
eurjchem-2067	3	5	and	and	CCONJ
eurjchem-2067	3	6	licensed	license	VERB
eurjchem-2067	3	7	by	by	ADP
eurjchem-2067	3	8	atlanta	atlanta	PROPN
eurjchem-2067	3	9	publishing	publishing	PROPN
eurjchem-2067	3	10	house	house	PROPN
eurjchem-2067	3	11	llc	llc	PROPN
eurjchem-2067	3	12	–	–	PUNCT
eurjchem-2067	3	13	cc	cc	PROPN
eurjchem-2067	3	14	by	by	ADP
eurjchem-2067	3	15	nc	nc	PROPN
eurjchem-2067	3	16	–	–	PUNCT
eurjchem-2067	3	17	some	some	DET
eurjchem-2067	3	18	rights	right	NOUN
eurjchem-2067	3	19	reserved	reserve	VERB
eurjchem-2067	3	20	.	.	PUNCT
eurjchem-2067	4	1	https://dx.doi.org/10.5155/eurjchem.12.1.69-76.2067	https://dx.doi.org/10.5155/eurjchem.12.1.69-76.2067	PROPN
eurjchem-2067	4	2	european	european	ADJ
eurjchem-2067	4	3	journal	journal	PROPN
eurjchem-2067	4	4	of	of	ADP
eurjchem-2067	4	5	chemistry	chemistry	NOUN
eurjchem-2067	4	6	view	view	NOUN
eurjchem-2067	4	7	journal	journal	PROPN
eurjchem-2067	4	8	online	online	PROPN
eurjchem-2067	4	9	view	view	NOUN
eurjchem-2067	4	10	article	article	NOUN
eurjchem-2067	4	11	online	online	ADJ
eurjchem-2067	4	12	synthesis	synthesis	NOUN
eurjchem-2067	4	13	and	and	CCONJ
eurjchem-2067	4	14	detailed	detailed	ADJ
eurjchem-2067	4	15	characterization	characterization	NOUN
eurjchem-2067	4	16	of	of	ADP
eurjchem-2067	4	17	a	a	DET
eurjchem-2067	4	18	newly	newly	ADV
eurjchem-2067	4	19	synthesized	synthesize	VERB
eurjchem-2067	4	20	chalcone	chalcone	NOUN
eurjchem-2067	4	21	,	,	PUNCT
eurjchem-2067	4	22	3-(2,5	3-(2,5	NUM
eurjchem-2067	4	23	-	-	PUNCT
eurjchem-2067	4	24	dimethoxyphenyl)-1-(naphthalen-2	dimethoxyphenyl)-1-(naphthalen-2	NOUN
eurjchem-2067	4	25	-	-	PUNCT
eurjchem-2067	4	26	yl)prop-2	yl)prop-2	NOUN
eurjchem-2067	4	27	-	-	PUNCT
eurjchem-2067	4	28	en-1	en-1	NOUN
eurjchem-2067	4	29	-	-	PUNCT
eurjchem-2067	4	30	one	one	NUM
eurjchem-2067	4	31	madhu	madhu	NOUN
eurjchem-2067	4	32	kumar	kumar	PROPN
eurjchem-2067	4	33	dogganal	dogganal	PROPN
eurjchem-2067	4	34	jayappa	jayappa	PROPN
eurjchem-2067	4	35	1	1	NUM
eurjchem-2067	4	36	,	,	PUNCT
eurjchem-2067	4	37	prabhuswamy	prabhuswamy	ADJ
eurjchem-2067	4	38	akhileshwari	akhileshwari	NOUN
eurjchem-2067	4	39	2	2	NUM
eurjchem-2067	4	40	,	,	PUNCT
eurjchem-2067	4	41	mandayam	mandayam	ADP
eurjchem-2067	4	42	anandalwar	anandalwar	ADV
eurjchem-2067	4	43	sridhar	sridhar	PROPN
eurjchem-2067	4	44	2	2	NUM
eurjchem-2067	4	45	,	,	PUNCT
eurjchem-2067	4	46	*	*	NOUN
eurjchem-2067	4	47	,	,	PUNCT
eurjchem-2067	4	48	lohith	lohith	PROPN
eurjchem-2067	4	49	tumakuru	tumakuru	PROPN
eurjchem-2067	4	50	nagarajappa	nagarajappa	NOUN
eurjchem-2067	4	51	2	2	NUM
eurjchem-2067	4	52	,	,	PUNCT
eurjchem-2067	4	53	shivegowda	shivegowda	X
eurjchem-2067	4	54	nagaraju	nagaraju	ADJ
eurjchem-2067	4	55	3	3	NUM
eurjchem-2067	4	56	,	,	PUNCT
eurjchem-2067	4	57	subrayachar	subrayachar	NOUN
eurjchem-2067	4	58	raghavendra	raghavendra	PROPN
eurjchem-2067	4	59	3	3	PROPN
eurjchem-2067	4	60	and	and	CCONJ
eurjchem-2067	4	61	manasa	manasa	PROPN
eurjchem-2067	4	62	dogganal	dogganal	PROPN
eurjchem-2067	4	63	jayappa	jayappa	PROPN
eurjchem-2067	4	64	4	4	NUM
eurjchem-2067	4	65	1	1	NUM
eurjchem-2067	4	66	faculty	faculty	NOUN
eurjchem-2067	4	67	of	of	ADP
eurjchem-2067	4	68	pharmacy	pharmacy	NOUN
eurjchem-2067	4	69	,	,	PUNCT
eurjchem-2067	4	70	ramaiah	ramaiah	PROPN
eurjchem-2067	4	71	institute	institute	PROPN
eurjchem-2067	4	72	of	of	ADP
eurjchem-2067	4	73	applied	apply	VERB
eurjchem-2067	4	74	sciences	science	NOUN
eurjchem-2067	4	75	,	,	PUNCT
eurjchem-2067	4	76	bengaluru	bengaluru	PROPN
eurjchem-2067	4	77	560	560	NUM
eurjchem-2067	4	78	054	054	NUM
eurjchem-2067	4	79	,	,	PUNCT
eurjchem-2067	4	80	india	india	PROPN
eurjchem-2067	4	81	madhuvandj@gmail.com	madhuvandj@gmail.com	PROPN
eurjchem-2067	4	82	(	(	PUNCT
eurjchem-2067	4	83	m.k.d.j	m.k.d.j	PROPN
eurjchem-2067	4	84	.	.	PUNCT
eurjchem-2067	4	85	)	)	PUNCT
eurjchem-2067	5	1	2	2	NUM
eurjchem-2067	5	2	department	department	NOUN
eurjchem-2067	5	3	of	of	ADP
eurjchem-2067	5	4	studies	study	NOUN
eurjchem-2067	5	5	in	in	ADP
eurjchem-2067	5	6	physics	physics	PROPN
eurjchem-2067	5	7	,	,	PUNCT
eurjchem-2067	5	8	manasagangotri	manasagangotri	NOUN
eurjchem-2067	5	9	,	,	PUNCT
eurjchem-2067	5	10	university	university	NOUN
eurjchem-2067	5	11	of	of	ADP
eurjchem-2067	5	12	mysore	mysore	NOUN
eurjchem-2067	5	13	,	,	PUNCT
eurjchem-2067	5	14	mysuru	mysuru	NOUN
eurjchem-2067	5	15	570	570	NUM
eurjchem-2067	5	16	006	006	NUM
eurjchem-2067	5	17	,	,	PUNCT
eurjchem-2067	5	18	india	india	PROPN
eurjchem-2067	5	19	akhila@uomphysics.net	akhila@uomphysics.net	PROPN
eurjchem-2067	5	20	(	(	PUNCT
eurjchem-2067	5	21	p.a	p.a	PROPN
eurjchem-2067	5	22	.	.	PROPN
eurjchem-2067	5	23	)	)	PUNCT
eurjchem-2067	5	24	,	,	PUNCT
eurjchem-2067	5	25	mas@physics.uni-mysore.ac.in	mas@physics.uni-mysore.ac.in	PROPN
eurjchem-2067	5	26	(	(	PUNCT
eurjchem-2067	5	27	m.a.s	m.a.s	PROPN
eurjchem-2067	5	28	.	.	PROPN
eurjchem-2067	5	29	)	)	PUNCT
eurjchem-2067	5	30	,	,	PUNCT
eurjchem-2067	5	31	lohith@uomphysics.net	lohith@uomphysics.net	PROPN
eurjchem-2067	5	32	(	(	PUNCT
eurjchem-2067	5	33	l.t.n	l.t.n	ADJ
eurjchem-2067	5	34	.	.	PUNCT
eurjchem-2067	5	35	)	)	PUNCT
eurjchem-2067	6	1	3	3	NUM
eurjchem-2067	6	2	department	department	NOUN
eurjchem-2067	6	3	of	of	ADP
eurjchem-2067	6	4	engineering	engineering	PROPN
eurjchem-2067	6	5	physics	physics	PROPN
eurjchem-2067	6	6	,	,	PUNCT
eurjchem-2067	6	7	adichunchanagiri	adichunchanagiri	PROPN
eurjchem-2067	6	8	institute	institute	PROPN
eurjchem-2067	6	9	of	of	ADP
eurjchem-2067	6	10	technology	technology	PROPN
eurjchem-2067	6	11	,	,	PUNCT
eurjchem-2067	6	12	chikkamagaluru	chikkamagaluru	VERB
eurjchem-2067	6	13	577	577	NUM
eurjchem-2067	6	14	102	102	NUM
eurjchem-2067	6	15	,	,	PUNCT
eurjchem-2067	6	16	india	india	PROPN
eurjchem-2067	6	17	nagubss@gmail.com	nagubss@gmail.com	PROPN
eurjchem-2067	6	18	(	(	PUNCT
eurjchem-2067	6	19	s.n	s.n	PROPN
eurjchem-2067	6	20	.	.	PROPN
eurjchem-2067	6	21	)	)	PUNCT
eurjchem-2067	6	22	,	,	PUNCT
eurjchem-2067	7	1	raghuphotonics@gmail.com	raghuphotonics@gmail.com	X
eurjchem-2067	8	1	(	(	PUNCT
eurjchem-2067	8	2	s.r	s.r	PROPN
eurjchem-2067	8	3	.	.	PROPN
eurjchem-2067	8	4	)	)	PUNCT
eurjchem-2067	9	1	4	4	NUM
eurjchem-2067	9	2	department	department	NOUN
eurjchem-2067	9	3	of	of	ADP
eurjchem-2067	9	4	applied	apply	VERB
eurjchem-2067	9	5	botany	botany	NOUN
eurjchem-2067	9	6	,	,	PUNCT
eurjchem-2067	9	7	davanagere	davanagere	ADJ
eurjchem-2067	9	8	university	university	NOUN
eurjchem-2067	9	9	,	,	PUNCT
eurjchem-2067	9	10	davanagere	davanagere	ADJ
eurjchem-2067	9	11	577	577	NUM
eurjchem-2067	9	12	007	007	NUM
eurjchem-2067	9	13	,	,	PUNCT
eurjchem-2067	9	14	india	india	PROPN
eurjchem-2067	9	15	manasadj310@gmail.com	manasadj310@gmail.com	PROPN
eurjchem-2067	9	16	(	(	PUNCT
eurjchem-2067	9	17	m.d.j	m.d.j	NOUN
eurjchem-2067	9	18	.	.	PUNCT
eurjchem-2067	9	19	)	)	PUNCT
eurjchem-2067	10	1	*	*	PUNCT
eurjchem-2067	10	2	corresponding	correspond	VERB
eurjchem-2067	10	3	author	author	NOUN
eurjchem-2067	10	4	at	at	ADP
eurjchem-2067	10	5	:	:	PUNCT
eurjchem-2067	10	6	department	department	NOUN
eurjchem-2067	10	7	of	of	ADP
eurjchem-2067	10	8	studies	study	NOUN
eurjchem-2067	10	9	in	in	ADP
eurjchem-2067	10	10	physics	physics	PROPN
eurjchem-2067	10	11	,	,	PUNCT
eurjchem-2067	10	12	manasagangotri	manasagangotri	NOUN
eurjchem-2067	10	13	,	,	PUNCT
eurjchem-2067	10	14	university	university	NOUN
eurjchem-2067	10	15	of	of	ADP
eurjchem-2067	10	16	mysore	mysore	NOUN
eurjchem-2067	10	17	,	,	PUNCT
eurjchem-2067	10	18	mysuru	mysuru	NOUN
eurjchem-2067	10	19	570	570	NUM
eurjchem-2067	10	20	006	006	NUM
eurjchem-2067	10	21	,	,	PUNCT
eurjchem-2067	10	22	india	india	PROPN
eurjchem-2067	10	23	.	.	PUNCT
eurjchem-2067	11	1	e	e	X
eurjchem-2067	11	2	-	-	NOUN
eurjchem-2067	11	3	mail	mail	NOUN
eurjchem-2067	11	4	:	:	PUNCT
eurjchem-2067	11	5	mas@physics.uni-mysore.ac.in	mas@physics.uni-mysore.ac.in	PROPN
eurjchem-2067	11	6	(	(	PUNCT
eurjchem-2067	11	7	m.a	m.a	PROPN
eurjchem-2067	11	8	.	.	PROPN
eurjchem-2067	11	9	sridhar	sridhar	PROPN
eurjchem-2067	11	10	)	)	PUNCT
eurjchem-2067	11	11	.	.	PUNCT
eurjchem-2067	12	1	10.5155	10.5155	NUM
eurjchem-2067	12	2	/	/	SYM
eurjchem-2067	12	3	eurjchem.12.1.69	eurjchem.12.1.69	NOUN
eurjchem-2067	12	4	-	-	PUNCT
eurjchem-2067	12	5	76.2067	76.2067	NUM
eurjchem-2067	12	6	received	receive	VERB
eurjchem-2067	12	7	:	:	PUNCT
eurjchem-2067	12	8	12	12	NUM
eurjchem-2067	12	9	january	january	NOUN
eurjchem-2067	12	10	2021	2021	NUM
eurjchem-2067	12	11	received	receive	VERB
eurjchem-2067	12	12	in	in	ADP
eurjchem-2067	12	13	revised	revise	VERB
eurjchem-2067	12	14	form	form	NOUN
eurjchem-2067	12	15	:	:	PUNCT
eurjchem-2067	12	16	11	11	NUM
eurjchem-2067	12	17	february	february	NOUN
eurjchem-2067	12	18	2021	2021	NUM
eurjchem-2067	12	19	accepted	accept	VERB
eurjchem-2067	12	20	:	:	PUNCT
eurjchem-2067	12	21	18	18	NUM
eurjchem-2067	12	22	february	february	NOUN
eurjchem-2067	12	23	2021	2021	NUM
eurjchem-2067	12	24	published	publish	VERB
eurjchem-2067	12	25	online	online	ADV
eurjchem-2067	12	26	:	:	PUNCT
eurjchem-2067	12	27	31	31	NUM
eurjchem-2067	12	28	march	march	NOUN
eurjchem-2067	12	29	2021	2021	NUM
eurjchem-2067	12	30	printed	print	VERB
eurjchem-2067	12	31	:	:	PUNCT
eurjchem-2067	12	32	31	31	NUM
eurjchem-2067	12	33	march	march	NOUN
eurjchem-2067	12	34	2021	2021	NUM
eurjchem-2067	12	35	chalcones	chalcone	NOUN
eurjchem-2067	12	36	are	be	AUX
eurjchem-2067	12	37	the	the	DET
eurjchem-2067	12	38	main	main	ADJ
eurjchem-2067	12	39	component	component	NOUN
eurjchem-2067	12	40	of	of	ADP
eurjchem-2067	12	41	some	some	DET
eurjchem-2067	12	42	natural	natural	ADJ
eurjchem-2067	12	43	compounds	compound	NOUN
eurjchem-2067	12	44	.	.	PUNCT
eurjchem-2067	13	1	the	the	DET
eurjchem-2067	13	2	title	title	NOUN
eurjchem-2067	13	3	compound	compound	NOUN
eurjchem-2067	13	4	,	,	PUNCT
eurjchem-2067	13	5	3-(2,5dimethoxyphenyl)-1-(naphthalen-2	3-(2,5dimethoxyphenyl)-1-(naphthalen-2	NOUN
eurjchem-2067	13	6	-	-	SYM
eurjchem-2067	13	7	yl)prop-2	yl)prop-2	NOUN
eurjchem-2067	13	8	-	-	PUNCT
eurjchem-2067	13	9	en-1	en-1	NOUN
eurjchem-2067	13	10	-	-	PUNCT
eurjchem-2067	13	11	one	one	NUM
eurjchem-2067	13	12	,	,	PUNCT
eurjchem-2067	13	13	was	be	AUX
eurjchem-2067	13	14	synthesized	synthesize	VERB
eurjchem-2067	13	15	and	and	CCONJ
eurjchem-2067	13	16	characterized	characterize	VERB
eurjchem-2067	13	17	.	.	PUNCT
eurjchem-2067	14	1	the	the	DET
eurjchem-2067	14	2	compound	compound	NOUN
eurjchem-2067	14	3	(	(	PUNCT
eurjchem-2067	14	4	c21h18o3	c21h18o3	PROPN
eurjchem-2067	14	5	)	)	PUNCT
eurjchem-2067	14	6	crystallizes	crystallize	VERB
eurjchem-2067	14	7	in	in	ADP
eurjchem-2067	14	8	the	the	DET
eurjchem-2067	14	9	triclinic	triclinic	ADJ
eurjchem-2067	14	10	system	system	NOUN
eurjchem-2067	14	11	with	with	ADP
eurjchem-2067	14	12	the	the	DET
eurjchem-2067	14	13	space	space	NOUN
eurjchem-2067	14	14	group	group	NOUN
eurjchem-2067	14	15	of	of	ADP
eurjchem-2067	14	16	p-1	p-1	NOUN
eurjchem-2067	14	17	(	(	PUNCT
eurjchem-2067	14	18	no	no	INTJ
eurjchem-2067	14	19	.	.	NOUN
eurjchem-2067	14	20	2	2	NUM
eurjchem-2067	14	21	)	)	PUNCT
eurjchem-2067	14	22	,	,	PUNCT
eurjchem-2067	14	23	a	a	DET
eurjchem-2067	14	24	=	=	NOUN
eurjchem-2067	14	25	7.7705(4	7.7705(4	NOUN
eurjchem-2067	14	26	)	)	PUNCT
eurjchem-2067	14	27	å	å	NOUN
eurjchem-2067	14	28	,	,	PUNCT
eurjchem-2067	14	29	b	b	X
eurjchem-2067	14	30	=	=	SYM
eurjchem-2067	14	31	10.2634(6	10.2634(6	PROPN
eurjchem-2067	14	32	)	)	PUNCT
eurjchem-2067	14	33	å	å	NOUN
eurjchem-2067	14	34	,	,	PUNCT
eurjchem-2067	14	35	c	c	NOUN
eurjchem-2067	14	36	=	=	SYM
eurjchem-2067	14	37	11.2487(6	11.2487(6	NUM
eurjchem-2067	14	38	)	)	PUNCT
eurjchem-2067	14	39	å	å	PROPN
eurjchem-2067	14	40	,	,	PUNCT
eurjchem-2067	14	41	α	α	NOUN
eurjchem-2067	14	42	=	=	PUNCT
eurjchem-2067	14	43	79.655(5	79.655(5	PROPN
eurjchem-2067	14	44	)	)	PUNCT
eurjchem-2067	14	45	°	°	PROPN
eurjchem-2067	14	46	,	,	PUNCT
eurjchem-2067	14	47	β	β	NOUN
eurjchem-2067	14	48	=	=	SYM
eurjchem-2067	14	49	81.500(5	81.500(5	NOUN
eurjchem-2067	14	50	)	)	PUNCT
eurjchem-2067	14	51	°	°	PROPN
eurjchem-2067	14	52	,	,	PUNCT
eurjchem-2067	14	53	γ	γ	NOUN
eurjchem-2067	14	54	=	=	SYM
eurjchem-2067	14	55	68.039(5	68.039(5	NOUN
eurjchem-2067	14	56	)	)	PUNCT
eurjchem-2067	14	57	°	°	PROPN
eurjchem-2067	14	58	,	,	PUNCT
eurjchem-2067	14	59	v	v	NOUN
eurjchem-2067	14	60	=	=	SYM
eurjchem-2067	14	61	815.28(9	815.28(9	NUM
eurjchem-2067	14	62	)	)	PUNCT
eurjchem-2067	14	63	å3	å3	PROPN
eurjchem-2067	14	64	,	,	PUNCT
eurjchem-2067	14	65	z	z	NOUN
eurjchem-2067	14	66	=	=	SYM
eurjchem-2067	14	67	2	2	NUM
eurjchem-2067	14	68	,	,	PUNCT
eurjchem-2067	14	69	t	t	NOUN
eurjchem-2067	14	70	=	=	SYM
eurjchem-2067	14	71	293(2	293(2	NUM
eurjchem-2067	14	72	)	)	PUNCT
eurjchem-2067	14	73	k	k	NOUN
eurjchem-2067	14	74	,	,	PUNCT
eurjchem-2067	14	75	μ(mokα	μ(mokα	NOUN
eurjchem-2067	14	76	)	)	PUNCT
eurjchem-2067	14	77	=	=	SYM
eurjchem-2067	14	78	0.086	0.086	NUM
eurjchem-2067	14	79	mm-1	mm-1	NOUN
eurjchem-2067	14	80	,	,	PUNCT
eurjchem-2067	14	81	dcalc	dcalc	NOUN
eurjchem-2067	14	82	=	=	PUNCT
eurjchem-2067	14	83	1.297	1.297	NUM
eurjchem-2067	14	84	g	g	NOUN
eurjchem-2067	14	85	/	/	SYM
eurjchem-2067	14	86	cm3	cm3	NOUN
eurjchem-2067	14	87	,	,	PUNCT
eurjchem-2067	14	88	9126	9126	NUM
eurjchem-2067	14	89	reflections	reflection	NOUN
eurjchem-2067	14	90	measured	measure	VERB
eurjchem-2067	14	91	(	(	PUNCT
eurjchem-2067	14	92	4.318	4.318	NUM
eurjchem-2067	14	93	°	°	NOUN
eurjchem-2067	14	94	≤	≤	NUM
eurjchem-2067	14	95	2θ	2θ	NUM
eurjchem-2067	14	96	≤	≤	NUM
eurjchem-2067	14	97	52.728	52.728	NUM
eurjchem-2067	14	98	°	°	NOUN
eurjchem-2067	14	99	)	)	PUNCT
eurjchem-2067	14	100	,	,	PUNCT
eurjchem-2067	14	101	3302	3302	NUM
eurjchem-2067	14	102	unique	unique	ADJ
eurjchem-2067	14	103	(	(	PUNCT
eurjchem-2067	14	104	rint	rint	NOUN
eurjchem-2067	14	105	=	=	SYM
eurjchem-2067	14	106	0.0466	0.0466	NUM
eurjchem-2067	14	107	,	,	PUNCT
eurjchem-2067	14	108	rsigma	rsigma	ADJ
eurjchem-2067	14	109	=	=	SYM
eurjchem-2067	14	110	0.0528	0.0528	NUM
eurjchem-2067	14	111	)	)	PUNCT
eurjchem-2067	14	112	which	which	PRON
eurjchem-2067	14	113	were	be	AUX
eurjchem-2067	14	114	used	use	VERB
eurjchem-2067	14	115	in	in	ADP
eurjchem-2067	14	116	all	all	DET
eurjchem-2067	14	117	calculations	calculation	NOUN
eurjchem-2067	14	118	.	.	PUNCT
eurjchem-2067	15	1	the	the	DET
eurjchem-2067	15	2	final	final	ADJ
eurjchem-2067	15	3	r1	r1	NOUN
eurjchem-2067	15	4	was	be	AUX
eurjchem-2067	15	5	0.0568	0.0568	NUM
eurjchem-2067	15	6	(	(	PUNCT
eurjchem-2067	15	7	i	i	X
eurjchem-2067	15	8	>	>	X
eurjchem-2067	15	9	2σ(i	2σ(i	NUM
eurjchem-2067	15	10	)	)	PUNCT
eurjchem-2067	15	11	)	)	PUNCT
eurjchem-2067	16	1	and	and	CCONJ
eurjchem-2067	16	2	wr2	wr2	PROPN
eurjchem-2067	16	3	was	be	AUX
eurjchem-2067	16	4	0.1667	0.1667	NUM
eurjchem-2067	16	5	(	(	PUNCT
eurjchem-2067	16	6	all	all	DET
eurjchem-2067	16	7	data	datum	NOUN
eurjchem-2067	16	8	)	)	PUNCT
eurjchem-2067	16	9	.	.	PUNCT
eurjchem-2067	17	1	the	the	DET
eurjchem-2067	17	2	crystal	crystal	NOUN
eurjchem-2067	17	3	structure	structure	NOUN
eurjchem-2067	17	4	is	be	AUX
eurjchem-2067	17	5	stabilized	stabilize	VERB
eurjchem-2067	17	6	by	by	ADP
eurjchem-2067	17	7	both	both	PRON
eurjchem-2067	17	8	short	short	ADJ
eurjchem-2067	17	9	c	c	PROPN
eurjchem-2067	17	10	-	-	PUNCT
eurjchem-2067	17	11	h···o	h···o	NOUN
eurjchem-2067	17	12	interand	interand	VERB
eurjchem-2067	17	13	intramolecular	intramolecular	ADJ
eurjchem-2067	17	14	interactions	interaction	NOUN
eurjchem-2067	17	15	.	.	PUNCT
eurjchem-2067	18	1	in	in	ADP
eurjchem-2067	18	2	addition	addition	NOUN
eurjchem-2067	18	3	,	,	PUNCT
eurjchem-2067	18	4	the	the	DET
eurjchem-2067	18	5	crystal	crystal	NOUN
eurjchem-2067	18	6	structure	structure	NOUN
eurjchem-2067	18	7	is	be	AUX
eurjchem-2067	18	8	reinforced	reinforce	VERB
eurjchem-2067	18	9	by	by	ADP
eurjchem-2067	18	10	π	π	PROPN
eurjchem-2067	18	11	-	-	PROPN
eurjchem-2067	18	12	π	π	ADJ
eurjchem-2067	18	13	interactions	interaction	NOUN
eurjchem-2067	18	14	.	.	PUNCT
eurjchem-2067	19	1	hirshfeld	hirshfeld	PROPN
eurjchem-2067	19	2	surface	surface	NOUN
eurjchem-2067	19	3	analysis	analysis	NOUN
eurjchem-2067	19	4	confirmed	confirm	VERB
eurjchem-2067	19	5	the	the	DET
eurjchem-2067	19	6	presence	presence	NOUN
eurjchem-2067	19	7	of	of	ADP
eurjchem-2067	19	8	c	c	NOUN
eurjchem-2067	19	9	-	-	PUNCT
eurjchem-2067	19	10	h···o	h···o	NOUN
eurjchem-2067	19	11	intermolecular	intermolecular	ADJ
eurjchem-2067	19	12	interactions	interaction	NOUN
eurjchem-2067	19	13	.	.	PUNCT
eurjchem-2067	20	1	the	the	DET
eurjchem-2067	20	2	two	two	NUM
eurjchem-2067	20	3	-	-	PUNCT
eurjchem-2067	20	4	dimensional	dimensional	ADJ
eurjchem-2067	20	5	fingerprint	fingerprint	NOUN
eurjchem-2067	20	6	plots	plot	NOUN
eurjchem-2067	20	7	are	be	AUX
eurjchem-2067	20	8	used	use	VERB
eurjchem-2067	20	9	to	to	PART
eurjchem-2067	20	10	visualize	visualize	VERB
eurjchem-2067	20	11	the	the	DET
eurjchem-2067	20	12	individual	individual	ADJ
eurjchem-2067	20	13	interactions	interaction	NOUN
eurjchem-2067	20	14	present	present	ADJ
eurjchem-2067	20	15	in	in	ADP
eurjchem-2067	20	16	the	the	DET
eurjchem-2067	20	17	molecule	molecule	NOUN
eurjchem-2067	20	18	.	.	PUNCT
eurjchem-2067	21	1	dft	dft	PROPN
eurjchem-2067	21	2	calculations	calculation	NOUN
eurjchem-2067	21	3	were	be	AUX
eurjchem-2067	21	4	performed	perform	VERB
eurjchem-2067	21	5	to	to	PART
eurjchem-2067	21	6	know	know	VERB
eurjchem-2067	21	7	the	the	DET
eurjchem-2067	21	8	energy	energy	NOUN
eurjchem-2067	21	9	levels	level	NOUN
eurjchem-2067	21	10	of	of	ADP
eurjchem-2067	21	11	the	the	DET
eurjchem-2067	21	12	frontier	frontier	NOUN
eurjchem-2067	21	13	molecular	molecular	ADJ
eurjchem-2067	21	14	orbitals	orbital	NOUN
eurjchem-2067	21	15	(	(	PUNCT
eurjchem-2067	21	16	homo	homo	NOUN
eurjchem-2067	21	17	-	-	PUNCT
eurjchem-2067	21	18	lumo	lumo	NOUN
eurjchem-2067	21	19	)	)	PUNCT
eurjchem-2067	21	20	.	.	PUNCT
eurjchem-2067	22	1	the	the	DET
eurjchem-2067	22	2	energy	energy	NOUN
eurjchem-2067	22	3	gap	gap	NOUN
eurjchem-2067	22	4	between	between	ADP
eurjchem-2067	22	5	the	the	DET
eurjchem-2067	22	6	frontier	frontier	NOUN
eurjchem-2067	22	7	molecular	molecular	ADJ
eurjchem-2067	22	8	orbitals	orbital	NOUN
eurjchem-2067	22	9	shows	show	VERB
eurjchem-2067	22	10	the	the	DET
eurjchem-2067	22	11	kinetic	kinetic	ADJ
eurjchem-2067	22	12	stability	stability	NOUN
eurjchem-2067	22	13	of	of	ADP
eurjchem-2067	22	14	the	the	DET
eurjchem-2067	22	15	molecule	molecule	NOUN
eurjchem-2067	22	16	.	.	PUNCT
eurjchem-2067	23	1	the	the	DET
eurjchem-2067	23	2	chemical	chemical	ADJ
eurjchem-2067	23	3	reactive	reactive	ADJ
eurjchem-2067	23	4	sites	site	NOUN
eurjchem-2067	23	5	are	be	AUX
eurjchem-2067	23	6	observed	observe	VERB
eurjchem-2067	23	7	by	by	ADP
eurjchem-2067	23	8	generating	generate	VERB
eurjchem-2067	23	9	mep	mep	PROPN
eurjchem-2067	23	10	surface	surface	NOUN
eurjchem-2067	23	11	.	.	PUNCT
eurjchem-2067	24	1	non	non	ADJ
eurjchem-2067	24	2	-	-	ADJ
eurjchem-2067	24	3	covalent	covalent	ADJ
eurjchem-2067	24	4	interactions	interaction	NOUN
eurjchem-2067	24	5	(	(	PUNCT
eurjchem-2067	24	6	ncis	ncis	NOUN
eurjchem-2067	24	7	)	)	PUNCT
eurjchem-2067	24	8	are	be	AUX
eurjchem-2067	24	9	analyzed	analyze	VERB
eurjchem-2067	24	10	using	use	VERB
eurjchem-2067	24	11	reduced	reduce	VERB
eurjchem-2067	24	12	density	density	NOUN
eurjchem-2067	24	13	gradient	gradient	NOUN
eurjchem-2067	24	14	(	(	PUNCT
eurjchem-2067	24	15	rdg	rdg	NOUN
eurjchem-2067	24	16	)	)	PUNCT
eurjchem-2067	24	17	analysis	analysis	NOUN
eurjchem-2067	24	18	.	.	PUNCT
eurjchem-2067	25	1	chalcone	chalcone	NOUN
eurjchem-2067	25	2	single	single	ADJ
eurjchem-2067	25	3	crystal	crystal	NOUN
eurjchem-2067	25	4	structure	structure	NOUN
eurjchem-2067	25	5	reduced	reduce	VERB
eurjchem-2067	25	6	density	density	NOUN
eurjchem-2067	25	7	gradient	gradient	PROPN
eurjchem-2067	25	8	hirshfeld	hirshfeld	PROPN
eurjchem-2067	25	9	surface	surface	PROPN
eurjchem-2067	25	10	analysis	analysis	NOUN
eurjchem-2067	25	11	frontier	frontier	NOUN
eurjchem-2067	25	12	molecular	molecular	ADJ
eurjchem-2067	25	13	orbitals	orbital	NOUN
eurjchem-2067	25	14	molecular	molecular	ADJ
eurjchem-2067	25	15	electrostatic	electrostatic	ADJ
eurjchem-2067	25	16	potential	potential	NOUN
eurjchem-2067	25	17	cite	cite	VERB
eurjchem-2067	25	18	this	this	PRON
eurjchem-2067	25	19	:	:	PUNCT
eurjchem-2067	25	20	eur	eur	PROPN
eurjchem-2067	25	21	.	.	PUNCT
eurjchem-2067	26	1	j.	j.	PROPN
eurjchem-2067	26	2	chem	chem	PROPN
eurjchem-2067	26	3	.	.	PUNCT
eurjchem-2067	27	1	2021	2021	NUM
eurjchem-2067	27	2	,	,	PUNCT
eurjchem-2067	27	3	12(1	12(1	NUM
eurjchem-2067	27	4	)	)	PUNCT
eurjchem-2067	27	5	,	,	PUNCT
eurjchem-2067	27	6	69	69	NUM
eurjchem-2067	27	7	-	-	SYM
eurjchem-2067	27	8	76	76	NUM
eurjchem-2067	27	9	journal	journal	NOUN
eurjchem-2067	27	10	website	website	NOUN
eurjchem-2067	27	11	:	:	PUNCT
eurjchem-2067	27	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2067	27	13	1	1	X
eurjchem-2067	27	14	.	.	X
eurjchem-2067	27	15	introduction	introduction	NOUN
eurjchem-2067	27	16	chalcone	chalcone	NOUN
eurjchem-2067	27	17	is	be	AUX
eurjchem-2067	27	18	an	an	DET
eurjchem-2067	27	19	aromatic	aromatic	ADJ
eurjchem-2067	27	20	ketone	ketone	NOUN
eurjchem-2067	27	21	that	that	PRON
eurjchem-2067	27	22	forms	form	VERB
eurjchem-2067	27	23	the	the	DET
eurjchem-2067	27	24	central	central	ADJ
eurjchem-2067	27	25	core	core	NOUN
eurjchem-2067	27	26	for	for	ADP
eurjchem-2067	27	27	a	a	DET
eurjchem-2067	27	28	variety	variety	NOUN
eurjchem-2067	27	29	of	of	ADP
eurjchem-2067	27	30	important	important	ADJ
eurjchem-2067	27	31	biological	biological	ADJ
eurjchem-2067	27	32	compounds	compound	NOUN
eurjchem-2067	27	33	[	[	X
eurjchem-2067	27	34	1,2	1,2	NUM
eurjchem-2067	27	35	]	]	PUNCT
eurjchem-2067	27	36	.	.	PUNCT
eurjchem-2067	28	1	the	the	DET
eurjchem-2067	28	2	term	term	NOUN
eurjchem-2067	28	3	“	"	PUNCT
eurjchem-2067	28	4	chalcone	chalcone	NOUN
eurjchem-2067	28	5	”	"	PUNCT
eurjchem-2067	28	6	is	be	AUX
eurjchem-2067	28	7	used	use	VERB
eurjchem-2067	28	8	to	to	PART
eurjchem-2067	28	9	describe	describe	VERB
eurjchem-2067	28	10	compounds	compound	NOUN
eurjchem-2067	28	11	with	with	ADP
eurjchem-2067	28	12	the	the	DET
eurjchem-2067	28	13	1,3diphenylprop-2	1,3diphenylprop-2	NUM
eurjchem-2067	28	14	-	-	PUNCT
eurjchem-2067	28	15	en-1	en-1	ADP
eurjchem-2067	28	16	-	-	PUNCT
eurjchem-2067	28	17	one	one	NUM
eurjchem-2067	28	18	framework	framework	NOUN
eurjchem-2067	28	19	.	.	PUNCT
eurjchem-2067	29	1	they	they	PRON
eurjchem-2067	29	2	are	be	AUX
eurjchem-2067	29	3	naturally	naturally	ADV
eurjchem-2067	29	4	occurring	occur	VERB
eurjchem-2067	29	5	compounds	compound	NOUN
eurjchem-2067	29	6	found	find	VERB
eurjchem-2067	29	7	in	in	ADP
eurjchem-2067	29	8	various	various	ADJ
eurjchem-2067	29	9	plant	plant	NOUN
eurjchem-2067	29	10	species	specie	NOUN
eurjchem-2067	29	11	like	like	ADP
eurjchem-2067	29	12	angelica	angelica	PROPN
eurjchem-2067	29	13	,	,	PUNCT
eurjchem-2067	29	14	glycyrrhiza	glycyrrhiza	PROPN
eurjchem-2067	29	15	,	,	PUNCT
eurjchem-2067	29	16	humulus	humulus	PROPN
eurjchem-2067	29	17	,	,	PUNCT
eurjchem-2067	29	18	and	and	CCONJ
eurjchem-2067	29	19	scutellaria	scutellaria	NOUN
eurjchem-2067	29	20	,	,	PUNCT
eurjchem-2067	29	21	which	which	PRON
eurjchem-2067	29	22	are	be	AUX
eurjchem-2067	29	23	widely	widely	ADV
eurjchem-2067	29	24	used	use	VERB
eurjchem-2067	29	25	in	in	ADP
eurjchem-2067	29	26	folk	folk	NOUN
eurjchem-2067	29	27	remedies	remedy	NOUN
eurjchem-2067	29	28	[	[	X
eurjchem-2067	29	29	3	3	NUM
eurjchem-2067	29	30	-	-	SYM
eurjchem-2067	29	31	6	6	NUM
eurjchem-2067	29	32	]	]	PUNCT
eurjchem-2067	29	33	.	.	PUNCT
eurjchem-2067	30	1	the	the	DET
eurjchem-2067	30	2	products	product	NOUN
eurjchem-2067	30	3	used	use	VERB
eurjchem-2067	30	4	daily	daily	ADV
eurjchem-2067	30	5	as	as	ADP
eurjchem-2067	30	6	fruits	fruit	NOUN
eurjchem-2067	30	7	,	,	PUNCT
eurjchem-2067	30	8	spices	spice	NOUN
eurjchem-2067	30	9	,	,	PUNCT
eurjchem-2067	30	10	tea	tea	NOUN
eurjchem-2067	30	11	,	,	PUNCT
eurjchem-2067	30	12	vegetables	vegetable	NOUN
eurjchem-2067	30	13	,	,	PUNCT
eurjchem-2067	30	14	and	and	CCONJ
eurjchem-2067	30	15	soybean	soybean	NOUN
eurjchem-2067	30	16	-	-	PUNCT
eurjchem-2067	30	17	based	base	VERB
eurjchem-2067	30	18	food	food	NOUN
eurjchem-2067	30	19	items	item	NOUN
eurjchem-2067	30	20	contain	contain	VERB
eurjchem-2067	30	21	derivatives	derivative	NOUN
eurjchem-2067	30	22	of	of	ADP
eurjchem-2067	30	23	chalcone	chalcone	NOUN
eurjchem-2067	31	1	[	[	X
eurjchem-2067	31	2	7	7	NUM
eurjchem-2067	31	3	]	]	PUNCT
eurjchem-2067	31	4	.	.	PUNCT
eurjchem-2067	32	1	chalcones	chalcone	NOUN
eurjchem-2067	32	2	are	be	AUX
eurjchem-2067	32	3	intermediates	intermediate	NOUN
eurjchem-2067	32	4	in	in	ADP
eurjchem-2067	32	5	the	the	DET
eurjchem-2067	32	6	biosynthesis	biosynthesis	NOUN
eurjchem-2067	32	7	of	of	ADP
eurjchem-2067	32	8	flavonoids	flavonoid	NOUN
eurjchem-2067	32	9	,	,	PUNCT
eurjchem-2067	32	10	substances	substance	NOUN
eurjchem-2067	32	11	which	which	PRON
eurjchem-2067	32	12	are	be	AUX
eurjchem-2067	32	13	widespread	widespread	ADJ
eurjchem-2067	32	14	in	in	ADP
eurjchem-2067	32	15	compounds	compound	NOUN
eurjchem-2067	32	16	,	,	PUNCT
eurjchem-2067	32	17	exhibiting	exhibit	VERB
eurjchem-2067	32	18	an	an	DET
eurjchem-2067	32	19	array	array	NOUN
eurjchem-2067	32	20	of	of	ADP
eurjchem-2067	32	21	biological	biological	ADJ
eurjchem-2067	32	22	activities	activity	NOUN
eurjchem-2067	32	23	[	[	X
eurjchem-2067	32	24	8	8	NUM
eurjchem-2067	32	25	]	]	PUNCT
eurjchem-2067	32	26	.	.	PUNCT
eurjchem-2067	33	1	the	the	DET
eurjchem-2067	33	2	chalcone	chalcone	NOUN
eurjchem-2067	33	3	derivatives	derivative	NOUN
eurjchem-2067	33	4	have	have	AUX
eurjchem-2067	33	5	attracted	attract	VERB
eurjchem-2067	33	6	increasing	increase	VERB
eurjchem-2067	33	7	attention	attention	NOUN
eurjchem-2067	33	8	due	due	ADP
eurjchem-2067	33	9	to	to	ADP
eurjchem-2067	33	10	their	their	PRON
eurjchem-2067	33	11	diverse	diverse	ADJ
eurjchem-2067	33	12	biological	biological	ADJ
eurjchem-2067	33	13	activities	activity	NOUN
eurjchem-2067	33	14	such	such	ADJ
eurjchem-2067	33	15	as	as	ADP
eurjchem-2067	33	16	anti	anti	ADJ
eurjchem-2067	33	17	-	-	ADJ
eurjchem-2067	33	18	malarial	malarial	ADJ
eurjchem-2067	33	19	,	,	PUNCT
eurjchem-2067	33	20	anticancer	anticancer	NOUN
eurjchem-2067	33	21	,	,	PUNCT
eurjchem-2067	33	22	anti	anti	ADJ
eurjchem-2067	33	23	-	-	ADJ
eurjchem-2067	33	24	inflammatory	inflammatory	ADJ
eurjchem-2067	33	25	,	,	PUNCT
eurjchem-2067	33	26	antioxidant	antioxidant	ADJ
eurjchem-2067	33	27	,	,	PUNCT
eurjchem-2067	33	28	antiprotozoal	antiprotozoal	ADJ
eurjchem-2067	33	29	,	,	PUNCT
eurjchem-2067	33	30	antiulcer	antiulcer	NOUN
eurjchem-2067	33	31	,	,	PUNCT
eurjchem-2067	33	32	and	and	CCONJ
eurjchem-2067	33	33	antibacterial	antibacterial	ADJ
eurjchem-2067	33	34	[	[	X
eurjchem-2067	33	35	9	9	NUM
eurjchem-2067	33	36	-	-	SYM
eurjchem-2067	33	37	11	11	NUM
eurjchem-2067	33	38	]	]	PUNCT
eurjchem-2067	33	39	.	.	PUNCT
eurjchem-2067	34	1	some	some	DET
eurjchem-2067	34	2	biological	biological	ADJ
eurjchem-2067	34	3	compounds	compound	NOUN
eurjchem-2067	34	4	with	with	ADP
eurjchem-2067	34	5	embedding	embed	VERB
eurjchem-2067	34	6	chalcone	chalcone	NOUN
eurjchem-2067	34	7	core	core	NOUN
eurjchem-2067	34	8	are	be	AUX
eurjchem-2067	34	9	shown	show	VERB
eurjchem-2067	34	10	in	in	ADP
eurjchem-2067	34	11	figure	figure	NOUN
eurjchem-2067	34	12	1	1	NUM
eurjchem-2067	34	13	.	.	PUNCT
eurjchem-2067	35	1	they	they	PRON
eurjchem-2067	35	2	also	also	ADV
eurjchem-2067	35	3	exhibit	exhibit	VERB
eurjchem-2067	35	4	many	many	ADJ
eurjchem-2067	35	5	pharmacological	pharmacological	ADJ
eurjchem-2067	35	6	activities	activity	NOUN
eurjchem-2067	35	7	such	such	ADJ
eurjchem-2067	35	8	as	as	ADP
eurjchem-2067	35	9	cytotoxic	cytotoxic	ADJ
eurjchem-2067	35	10	agents	agent	NOUN
eurjchem-2067	35	11	,	,	PUNCT
eurjchem-2067	35	12	antiviral	antiviral	NOUN
eurjchem-2067	35	13	,	,	PUNCT
eurjchem-2067	35	14	anesthetics	anesthetic	NOUN
eurjchem-2067	35	15	,	,	PUNCT
eurjchem-2067	35	16	mydriaties	mydriatie	NOUN
eurjchem-2067	35	17	,	,	PUNCT
eurjchem-2067	35	18	etc	etc	X
eurjchem-2067	35	19	.	.	X
eurjchem-2067	36	1	[	[	X
eurjchem-2067	36	2	12	12	NUM
eurjchem-2067	36	3	]	]	PUNCT
eurjchem-2067	36	4	.	.	PUNCT
eurjchem-2067	37	1	in	in	ADP
eurjchem-2067	37	2	view	view	NOUN
eurjchem-2067	37	3	of	of	ADP
eurjchem-2067	37	4	the	the	DET
eurjchem-2067	37	5	varied	varied	ADJ
eurjchem-2067	37	6	biological	biological	ADJ
eurjchem-2067	37	7	and	and	CCONJ
eurjchem-2067	37	8	pharmacological	pharmacological	ADJ
eurjchem-2067	37	9	applications	application	NOUN
eurjchem-2067	37	10	,	,	PUNCT
eurjchem-2067	37	11	the	the	DET
eurjchem-2067	37	12	title	title	NOUN
eurjchem-2067	37	13	compound	compound	NOUN
eurjchem-2067	37	14	was	be	AUX
eurjchem-2067	37	15	synthesized	synthesize	VERB
eurjchem-2067	37	16	.	.	PUNCT
eurjchem-2067	38	1	the	the	DET
eurjchem-2067	38	2	single	single	ADJ
eurjchem-2067	38	3	crystal	crystal	NOUN
eurjchem-2067	38	4	x	x	PROPN
eurjchem-2067	38	5	-	-	NOUN
eurjchem-2067	38	6	ray	ray	NOUN
eurjchem-2067	38	7	diffraction	diffraction	NOUN
eurjchem-2067	38	8	studies	study	NOUN
eurjchem-2067	38	9	revealed	reveal	VERB
eurjchem-2067	38	10	the	the	DET
eurjchem-2067	38	11	structure	structure	NOUN
eurjchem-2067	38	12	parameters	parameter	NOUN
eurjchem-2067	38	13	.	.	PUNCT
eurjchem-2067	39	1	quantum	quantum	PROPN
eurjchem-2067	39	2	chemical	chemical	NOUN
eurjchem-2067	39	3	computations	computation	NOUN
eurjchem-2067	39	4	were	be	AUX
eurjchem-2067	39	5	done	do	VERB
eurjchem-2067	39	6	to	to	PART
eurjchem-2067	39	7	know	know	VERB
eurjchem-2067	39	8	the	the	DET
eurjchem-2067	39	9	properties	property	NOUN
eurjchem-2067	39	10	of	of	ADP
eurjchem-2067	39	11	the	the	DET
eurjchem-2067	39	12	molecule	molecule	NOUN
eurjchem-2067	39	13	.	.	PUNCT
eurjchem-2067	40	1	2	2	X
eurjchem-2067	40	2	.	.	X
eurjchem-2067	40	3	experimental	experimental	ADJ
eurjchem-2067	40	4	2.1	2.1	NUM
eurjchem-2067	40	5	.	.	PUNCT
eurjchem-2067	40	6	synthesis	synthesis	NOUN
eurjchem-2067	40	7	of	of	ADP
eurjchem-2067	40	8	3-(2,5	3-(2,5	NUM
eurjchem-2067	40	9	-	-	PUNCT
eurjchem-2067	40	10	dimethoxyphenyl)-1-(naphthalen-2yl)prop-2	dimethoxyphenyl)-1-(naphthalen-2yl)prop-2	NOUN
eurjchem-2067	40	11	-	-	PUNCT
eurjchem-2067	40	12	en-1	en-1	NOUN
eurjchem-2067	40	13	-	-	PUNCT
eurjchem-2067	40	14	one	one	NUM
eurjchem-2067	40	15	a	a	DET
eurjchem-2067	40	16	mixture	mixture	NOUN
eurjchem-2067	40	17	of	of	ADP
eurjchem-2067	40	18	equimolar	equimolar	NOUN
eurjchem-2067	40	19	amount	amount	NOUN
eurjchem-2067	40	20	1-(naphthalen-2yl)ethenone	1-(naphthalen-2yl)ethenone	NUM
eurjchem-2067	40	21	(	(	PUNCT
eurjchem-2067	40	22	0.1	0.1	NUM
eurjchem-2067	40	23	mol	mol	NOUN
eurjchem-2067	40	24	)	)	PUNCT
eurjchem-2067	40	25	was	be	AUX
eurjchem-2067	40	26	dissolved	dissolve	VERB
eurjchem-2067	40	27	in	in	ADP
eurjchem-2067	40	28	methanol	methanol	NOUN
eurjchem-2067	40	29	followed	follow	VERB
eurjchem-2067	40	30	by	by	ADP
eurjchem-2067	40	31	abstract	abstract	ADJ
eurjchem-2067	40	32	research	research	NOUN
eurjchem-2067	40	33	article	article	NOUN
eurjchem-2067	40	34	keywords	keyword	VERB
eurjchem-2067	40	35	https://dx.doi.org/10.5155/eurjchem.12.1.69-76.2067	https://dx.doi.org/10.5155/eurjchem.12.1.69-76.2067	PROPN
eurjchem-2067	40	36	https://www.eurjchem.com/	https://www.eurjchem.com/	ADJ
eurjchem-2067	40	37	https://dx.doi.org/10.5155/eurjchem.12.1.69-76.2067	https://dx.doi.org/10.5155/eurjchem.12.1.69-76.2067	PROPN
eurjchem-2067	40	38	mailto:madhuvandj@gmail.com	mailto:madhuvandj@gmail.com	PROPN
eurjchem-2067	40	39	mailto:akhila@uomphysics.net	mailto:akhila@uomphysics.net	PROPN
eurjchem-2067	40	40	mailto:mas@physics.uni-mysore.ac.in	mailto:mas@physics.uni-mysore.ac.in	PROPN
eurjchem-2067	40	41	mailto:lohith@uomphysics.net	mailto:lohith@uomphysics.net	PROPN
eurjchem-2067	40	42	mailto:nagubss@gmail.com	mailto:nagubss@gmail.com	X
eurjchem-2067	41	1	mailto:raghuphotonics@gmail.com	mailto:raghuphotonics@gmail.com	PROPN
eurjchem-2067	42	1	mailto:manasadj310@gmail.com	mailto:manasadj310@gmail.com	PROPN
eurjchem-2067	42	2	mailto:mas@physics.uni-mysore.ac.in	mailto:mas@physics.uni-mysore.ac.in	PROPN
eurjchem-2067	42	3	http://www.eurjchem.com/	http://www.eurjchem.com/	PROPN
eurjchem-2067	42	4	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.12.1.69-76.2067&domain=pdf&date_stamp=2021-03-31	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.12.1.69-76.2067&domain=pdf&date_stamp=2021-03-31	PROPN
eurjchem-2067	42	5	70	70	NUM
eurjchem-2067	42	6	jayappa	jayappa	PROPN
eurjchem-2067	42	7	et	et	PROPN
eurjchem-2067	42	8	al	al	PROPN
eurjchem-2067	42	9	.	.	PUNCT
eurjchem-2067	42	10	/	/	SYM
eurjchem-2067	42	11	european	european	PROPN
eurjchem-2067	42	12	journal	journal	PROPN
eurjchem-2067	42	13	of	of	ADP
eurjchem-2067	42	14	chemistry	chemistry	NOUN
eurjchem-2067	42	15	12	12	NUM
eurjchem-2067	42	16	(	(	PUNCT
eurjchem-2067	42	17	1	1	NUM
eurjchem-2067	42	18	)	)	PUNCT
eurjchem-2067	42	19	(	(	PUNCT
eurjchem-2067	42	20	2021	2021	NUM
eurjchem-2067	42	21	)	)	PUNCT
eurjchem-2067	42	22	69	69	NUM
eurjchem-2067	42	23	-	-	SYM
eurjchem-2067	42	24	76	76	NUM
eurjchem-2067	42	25	2021	2021	NUM
eurjchem-2067	42	26	–	–	PUNCT
eurjchem-2067	42	27	european	european	ADJ
eurjchem-2067	42	28	journal	journal	NOUN
eurjchem-2067	42	29	of	of	ADP
eurjchem-2067	42	30	chemistry	chemistry	NOUN
eurjchem-2067	42	31	–	–	PUNCT
eurjchem-2067	42	32	cc	cc	NOUN
eurjchem-2067	42	33	by	by	ADP
eurjchem-2067	42	34	nc	nc	PROPN
eurjchem-2067	42	35	–	–	PUNCT
eurjchem-2067	42	36	doi	doi	NOUN
eurjchem-2067	42	37	:	:	PUNCT
eurjchem-2067	42	38	10.5155	10.5155	NUM
eurjchem-2067	42	39	/	/	SYM
eurjchem-2067	42	40	eurjchem.12.1.69	eurjchem.12.1.69	NOUN
eurjchem-2067	42	41	-	-	PUNCT
eurjchem-2067	42	42	76.2067	76.2067	NUM
eurjchem-2067	42	43	o	o	NOUN
eurjchem-2067	42	44	core	core	NOUN
eurjchem-2067	42	45	structure	structure	NOUN
eurjchem-2067	42	46	of	of	ADP
eurjchem-2067	42	47	a	a	DET
eurjchem-2067	42	48	chalone	chalone	NOUN
eurjchem-2067	43	1	o	o	NOUN
eurjchem-2067	43	2	o	o	X
eurjchem-2067	44	1	o	o	X
eurjchem-2067	45	1	o	o	X
eurjchem-2067	46	1	o	o	X
eurjchem-2067	47	1	o	o	X
eurjchem-2067	47	2	o	o	X
eurjchem-2067	47	3	o	o	X
eurjchem-2067	47	4	ho	ho	PROPN
eurjchem-2067	47	5	o	o	PROPN
eurjchem-2067	47	6	sofalcone	sofalcone	NOUN
eurjchem-2067	47	7	,	,	PUNCT
eurjchem-2067	47	8	antiulcer	antiulcer	NOUN
eurjchem-2067	47	9	drug	drug	NOUN
eurjchem-2067	47	10	metochalcone	metochalcone	NOUN
eurjchem-2067	47	11	,	,	PUNCT
eurjchem-2067	47	12	choleretic	choleretic	ADJ
eurjchem-2067	47	13	drug	drug	NOUN
eurjchem-2067	48	1	oh	oh	INTJ
eurjchem-2067	48	2	o	o	INTJ
eurjchem-2067	49	1	o	o	X
eurjchem-2067	50	1	a	a	DET
eurjchem-2067	50	2	o	o	NOUN
eurjchem-2067	51	1	oh	oh	INTJ
eurjchem-2067	51	2	o	o	INTJ
eurjchem-2067	51	3	o	o	INTJ
eurjchem-2067	52	1	oh	oh	INTJ
eurjchem-2067	52	2	ho	ho	INTJ
eurjchem-2067	52	3	ho	ho	PROPN
eurjchem-2067	53	1	o	o	X
eurjchem-2067	53	2	o	o	NOUN
eurjchem-2067	54	1	oh	oh	INTJ
eurjchem-2067	54	2	oh	oh	INTJ
eurjchem-2067	54	3	hesperidin	hesperidin	VERB
eurjchem-2067	54	4	methyl	methyl	NOUN
eurjchem-2067	54	5	chalcone	chalcone	NOUN
eurjchem-2067	54	6	,	,	PUNCT
eurjchem-2067	54	7	venous	venous	ADJ
eurjchem-2067	54	8	disease	disease	NOUN
eurjchem-2067	54	9	figure	figure	NOUN
eurjchem-2067	54	10	1	1	NUM
eurjchem-2067	54	11	.	.	PUNCT
eurjchem-2067	55	1	some	some	DET
eurjchem-2067	55	2	biological	biological	ADJ
eurjchem-2067	55	3	compounds	compound	NOUN
eurjchem-2067	55	4	with	with	ADP
eurjchem-2067	55	5	embedding	embed	VERB
eurjchem-2067	55	6	chalcone	chalcone	NOUN
eurjchem-2067	55	7	core	core	NOUN
eurjchem-2067	55	8	.	.	PUNCT
eurjchem-2067	56	1	ch3	ch3	PROPN
eurjchem-2067	57	1	o	o	X
eurjchem-2067	58	1	o	o	X
eurjchem-2067	59	1	o	o	X
eurjchem-2067	60	1	o	o	X
eurjchem-2067	60	2	o	o	X
eurjchem-2067	60	3	o	o	X
eurjchem-2067	61	1	o	o	X
eurjchem-2067	61	2	+	+	CCONJ
eurjchem-2067	61	3	ch3oh	ch3oh	NUM
eurjchem-2067	61	4	40	40	NUM
eurjchem-2067	61	5	%	%	NOUN
eurjchem-2067	61	6	naoh	naoh	NOUN
eurjchem-2067	61	7	h	h	NOUN
eurjchem-2067	61	8	figure	figure	NOUN
eurjchem-2067	61	9	2	2	NUM
eurjchem-2067	61	10	.	.	PUNCT
eurjchem-2067	61	11	synthesis	synthesis	NOUN
eurjchem-2067	61	12	of	of	ADP
eurjchem-2067	61	13	3-(2,5	3-(2,5	NUM
eurjchem-2067	61	14	-	-	PUNCT
eurjchem-2067	61	15	dimethoxyphenyl)-1-(naphthalen-2	dimethoxyphenyl)-1-(naphthalen-2	NOUN
eurjchem-2067	61	16	-	-	PUNCT
eurjchem-2067	61	17	yl)prop-2	yl)prop-2	NOUN
eurjchem-2067	61	18	-	-	PUNCT
eurjchem-2067	61	19	en-1	en-1	NOUN
eurjchem-2067	61	20	-	-	PUNCT
eurjchem-2067	61	21	one	one	NUM
eurjchem-2067	61	22	.	.	PUNCT
eurjchem-2067	62	1	addition	addition	NOUN
eurjchem-2067	62	2	of	of	ADP
eurjchem-2067	62	3	10	10	NUM
eurjchem-2067	62	4	ml	ml	NOUN
eurjchem-2067	62	5	of	of	ADP
eurjchem-2067	62	6	40	40	NUM
eurjchem-2067	62	7	%	%	NOUN
eurjchem-2067	62	8	sodium	sodium	NOUN
eurjchem-2067	62	9	hydroxide	hydroxide	NOUN
eurjchem-2067	62	10	(	(	PUNCT
eurjchem-2067	62	11	naoh	naoh	NOUN
eurjchem-2067	62	12	)	)	PUNCT
eurjchem-2067	62	13	solution	solution	NOUN
eurjchem-2067	62	14	under	under	ADP
eurjchem-2067	62	15	stirring	stirring	NOUN
eurjchem-2067	62	16	and	and	CCONJ
eurjchem-2067	62	17	a	a	DET
eurjchem-2067	62	18	solution	solution	NOUN
eurjchem-2067	62	19	of	of	ADP
eurjchem-2067	62	20	2,5	2,5	NUM
eurjchem-2067	62	21	-	-	PUNCT
eurjchem-2067	62	22	dimethoxy	dimethoxy	ADJ
eurjchem-2067	62	23	benzaldehyde	benzaldehyde	NOUN
eurjchem-2067	62	24	(	(	PUNCT
eurjchem-2067	62	25	0.1	0.1	NUM
eurjchem-2067	62	26	mol	mol	NOUN
eurjchem-2067	62	27	)	)	PUNCT
eurjchem-2067	62	28	in	in	ADP
eurjchem-2067	62	29	methanol	methanol	NOUN
eurjchem-2067	62	30	was	be	AUX
eurjchem-2067	62	31	added	add	VERB
eurjchem-2067	62	32	.	.	PUNCT
eurjchem-2067	63	1	stirring	stirring	NOUN
eurjchem-2067	63	2	was	be	AUX
eurjchem-2067	63	3	continued	continue	VERB
eurjchem-2067	63	4	for	for	ADP
eurjchem-2067	63	5	68	68	NUM
eurjchem-2067	63	6	hours	hour	NOUN
eurjchem-2067	63	7	[	[	X
eurjchem-2067	63	8	13	13	NUM
eurjchem-2067	63	9	]	]	PUNCT
eurjchem-2067	63	10	.	.	PUNCT
eurjchem-2067	64	1	the	the	DET
eurjchem-2067	64	2	completion	completion	NOUN
eurjchem-2067	64	3	of	of	ADP
eurjchem-2067	64	4	the	the	DET
eurjchem-2067	64	5	reaction	reaction	NOUN
eurjchem-2067	64	6	was	be	AUX
eurjchem-2067	64	7	monitored	monitor	VERB
eurjchem-2067	64	8	by	by	ADP
eurjchem-2067	64	9	thin	thin	ADJ
eurjchem-2067	64	10	layer	layer	NOUN
eurjchem-2067	64	11	liquid	liquid	NOUN
eurjchem-2067	64	12	chromatography	chromatography	NOUN
eurjchem-2067	64	13	(	(	PUNCT
eurjchem-2067	64	14	tlc	tlc	NOUN
eurjchem-2067	64	15	)	)	PUNCT
eurjchem-2067	64	16	method	method	NOUN
eurjchem-2067	64	17	and	and	CCONJ
eurjchem-2067	64	18	the	the	DET
eurjchem-2067	64	19	reaction	reaction	NOUN
eurjchem-2067	64	20	mixture	mixture	NOUN
eurjchem-2067	64	21	was	be	AUX
eurjchem-2067	64	22	cooled	cool	VERB
eurjchem-2067	64	23	and	and	CCONJ
eurjchem-2067	64	24	poured	pour	VERB
eurjchem-2067	64	25	into	into	ADP
eurjchem-2067	64	26	ice	ice	NOUN
eurjchem-2067	64	27	-	-	PUNCT
eurjchem-2067	64	28	cold	cold	ADJ
eurjchem-2067	64	29	water	water	NOUN
eurjchem-2067	64	30	.	.	PUNCT
eurjchem-2067	65	1	the	the	DET
eurjchem-2067	65	2	precipitate	precipitate	NOUN
eurjchem-2067	65	3	was	be	AUX
eurjchem-2067	65	4	filtered	filter	VERB
eurjchem-2067	65	5	,	,	PUNCT
eurjchem-2067	65	6	washed	wash	VERB
eurjchem-2067	65	7	,	,	PUNCT
eurjchem-2067	65	8	and	and	CCONJ
eurjchem-2067	65	9	recrystallized	recrystallize	VERB
eurjchem-2067	65	10	from	from	ADP
eurjchem-2067	65	11	hot	hot	ADJ
eurjchem-2067	65	12	ethanol	ethanol	NOUN
eurjchem-2067	65	13	and	and	CCONJ
eurjchem-2067	65	14	little	little	ADJ
eurjchem-2067	65	15	dimethylformamide	dimethylformamide	NOUN
eurjchem-2067	65	16	(	(	PUNCT
eurjchem-2067	65	17	dmf	dmf	PROPN
eurjchem-2067	65	18	)	)	PUNCT
eurjchem-2067	65	19	.	.	PUNCT
eurjchem-2067	66	1	the	the	DET
eurjchem-2067	66	2	crystals	crystal	NOUN
eurjchem-2067	66	3	obtained	obtain	VERB
eurjchem-2067	66	4	were	be	AUX
eurjchem-2067	66	5	used	use	VERB
eurjchem-2067	66	6	for	for	ADP
eurjchem-2067	66	7	single	single	ADJ
eurjchem-2067	66	8	crystal	crystal	NOUN
eurjchem-2067	66	9	x	x	PROPN
eurjchem-2067	66	10	-	-	NOUN
eurjchem-2067	66	11	ray	ray	NOUN
eurjchem-2067	66	12	diffraction	diffraction	NOUN
eurjchem-2067	66	13	studies	study	NOUN
eurjchem-2067	66	14	.	.	PUNCT
eurjchem-2067	67	1	the	the	DET
eurjchem-2067	67	2	reaction	reaction	NOUN
eurjchem-2067	67	3	scheme	scheme	NOUN
eurjchem-2067	67	4	for	for	ADP
eurjchem-2067	67	5	the	the	DET
eurjchem-2067	67	6	synthesized	synthesize	VERB
eurjchem-2067	67	7	compound	compound	NOUN
eurjchem-2067	67	8	is	be	AUX
eurjchem-2067	67	9	shown	show	VERB
eurjchem-2067	67	10	in	in	ADP
eurjchem-2067	67	11	figure	figure	NOUN
eurjchem-2067	67	12	2	2	NUM
eurjchem-2067	67	13	.	.	NUM
eurjchem-2067	67	14	2.2	2.2	NUM
eurjchem-2067	67	15	.	.	PUNCT
eurjchem-2067	68	1	x	x	X
eurjchem-2067	68	2	-	-	PUNCT
eurjchem-2067	68	3	ray	ray	NOUN
eurjchem-2067	68	4	diffraction	diffraction	NOUN
eurjchem-2067	68	5	analysis	analysis	NOUN
eurjchem-2067	68	6	a	a	DET
eurjchem-2067	68	7	white	white	ADJ
eurjchem-2067	68	8	colored	colored	ADJ
eurjchem-2067	68	9	rectangular	rectangular	ADJ
eurjchem-2067	68	10	block	block	NOUN
eurjchem-2067	68	11	of	of	ADP
eurjchem-2067	68	12	the	the	DET
eurjchem-2067	68	13	crystal	crystal	NOUN
eurjchem-2067	68	14	with	with	ADP
eurjchem-2067	68	15	approximate	approximate	ADJ
eurjchem-2067	68	16	dimensions	dimension	NOUN
eurjchem-2067	68	17	of	of	ADP
eurjchem-2067	68	18	0.31	0.31	NUM
eurjchem-2067	68	19	×	×	NOUN
eurjchem-2067	68	20	0.24	0.24	NUM
eurjchem-2067	68	21	×	×	NOUN
eurjchem-2067	68	22	0.23	0.23	NUM
eurjchem-2067	68	23	mm	mm	NOUN
eurjchem-2067	68	24	was	be	AUX
eurjchem-2067	68	25	selected	select	VERB
eurjchem-2067	68	26	for	for	ADP
eurjchem-2067	68	27	the	the	DET
eurjchem-2067	68	28	x	x	ADJ
eurjchem-2067	68	29	-	-	NOUN
eurjchem-2067	68	30	ray	ray	NOUN
eurjchem-2067	68	31	diffraction	diffraction	NOUN
eurjchem-2067	68	32	study	study	NOUN
eurjchem-2067	68	33	.	.	PUNCT
eurjchem-2067	69	1	the	the	DET
eurjchem-2067	69	2	x	x	NOUN
eurjchem-2067	69	3	-	-	NOUN
eurjchem-2067	69	4	ray	ray	NOUN
eurjchem-2067	69	5	intensity	intensity	NOUN
eurjchem-2067	69	6	data	datum	NOUN
eurjchem-2067	69	7	for	for	ADP
eurjchem-2067	69	8	the	the	DET
eurjchem-2067	69	9	compound	compound	NOUN
eurjchem-2067	69	10	were	be	AUX
eurjchem-2067	69	11	collected	collect	VERB
eurjchem-2067	69	12	at	at	ADP
eurjchem-2067	69	13	the	the	DET
eurjchem-2067	69	14	temperature	temperature	NOUN
eurjchem-2067	69	15	of	of	ADP
eurjchem-2067	69	16	293(2	293(2	NUM
eurjchem-2067	69	17	)	)	PUNCT
eurjchem-2067	69	18	k	k	NOUN
eurjchem-2067	69	19	on	on	ADP
eurjchem-2067	69	20	a	a	DET
eurjchem-2067	69	21	rigaku	rigaku	NOUN
eurjchem-2067	69	22	saturn	saturn	NOUN
eurjchem-2067	69	23	724	724	NUM
eurjchem-2067	69	24	diffractometer	diffractometer	NOUN
eurjchem-2067	69	25	using	use	VERB
eurjchem-2067	69	26	graphite	graphite	NOUN
eurjchem-2067	69	27	monochromat	monochromat	NOUN
eurjchem-2067	69	28	ed	ed	PROPN
eurjchem-2067	69	29	mokα	mokα	ADJ
eurjchem-2067	69	30	radiation	radiation	NOUN
eurjchem-2067	69	31	.	.	PUNCT
eurjchem-2067	70	1	all	all	DET
eurjchem-2067	70	2	frames	frame	NOUN
eurjchem-2067	70	3	were	be	AUX
eurjchem-2067	70	4	indexed	index	VERB
eurjchem-2067	70	5	using	use	VERB
eurjchem-2067	70	6	the	the	DET
eurjchem-2067	70	7	triclinic	triclinic	ADJ
eurjchem-2067	70	8	system	system	NOUN
eurjchem-2067	70	9	in	in	ADP
eurjchem-2067	70	10	the	the	DET
eurjchem-2067	70	11	space	space	NOUN
eurjchem-2067	70	12	group	group	NOUN
eurjchem-2067	70	13	p-1	p-1	NOUN
eurjchem-2067	70	14	.	.	PUNCT
eurjchem-2067	71	1	the	the	DET
eurjchem-2067	71	2	complete	complete	ADJ
eurjchem-2067	71	3	data	datum	NOUN
eurjchem-2067	71	4	set	set	VERB
eurjchem-2067	71	5	was	be	AUX
eurjchem-2067	71	6	processed	process	VERB
eurjchem-2067	71	7	using	use	VERB
eurjchem-2067	71	8	crystalclear	crystalclear	NOUN
eurjchem-2067	71	9	[	[	X
eurjchem-2067	71	10	14	14	NUM
eurjchem-2067	71	11	]	]	PUNCT
eurjchem-2067	71	12	.	.	PUNCT
eurjchem-2067	72	1	the	the	DET
eurjchem-2067	72	2	structure	structure	NOUN
eurjchem-2067	72	3	was	be	AUX
eurjchem-2067	72	4	solved	solve	VERB
eurjchem-2067	72	5	by	by	ADP
eurjchem-2067	72	6	direct	direct	ADJ
eurjchem-2067	72	7	methods	method	NOUN
eurjchem-2067	72	8	and	and	CCONJ
eurjchem-2067	72	9	refined	refine	VERB
eurjchem-2067	72	10	by	by	ADP
eurjchem-2067	72	11	full	full	ADJ
eurjchem-2067	72	12	-	-	PUNCT
eurjchem-2067	72	13	matrix	matrix	NOUN
eurjchem-2067	72	14	least	least	ADJ
eurjchem-2067	72	15	-	-	PUNCT
eurjchem-2067	72	16	squares	square	NOUN
eurjchem-2067	72	17	on	on	ADP
eurjchem-2067	72	18	f2	f2	PROPN
eurjchem-2067	72	19	using	use	VERB
eurjchem-2067	72	20	shelxs	shelxs	NOUN
eurjchem-2067	72	21	and	and	CCONJ
eurjchem-2067	72	22	shelxl	shelxl	NOUN
eurjchem-2067	72	23	[	[	X
eurjchem-2067	72	24	15	15	NUM
eurjchem-2067	72	25	]	]	PUNCT
eurjchem-2067	72	26	programs	program	NOUN
eurjchem-2067	72	27	,	,	PUNCT
eurjchem-2067	72	28	respectively	respectively	ADV
eurjchem-2067	72	29	.	.	PUNCT
eurjchem-2067	73	1	the	the	DET
eurjchem-2067	73	2	ortep	ortep	NOUN
eurjchem-2067	73	3	[	[	X
eurjchem-2067	73	4	16	16	NUM
eurjchem-2067	73	5	]	]	PUNCT
eurjchem-2067	73	6	and	and	CCONJ
eurjchem-2067	73	7	packing	pack	VERB
eurjchem-2067	73	8	diagrams	diagram	NOUN
eurjchem-2067	73	9	were	be	AUX
eurjchem-2067	73	10	generated	generate	VERB
eurjchem-2067	73	11	using	use	VERB
eurjchem-2067	73	12	the	the	DET
eurjchem-2067	73	13	mercury	mercury	NOUN
eurjchem-2067	73	14	[	[	X
eurjchem-2067	73	15	17	17	NUM
eurjchem-2067	73	16	]	]	PUNCT
eurjchem-2067	73	17	software	software	NOUN
eurjchem-2067	73	18	.	.	PUNCT
eurjchem-2067	74	1	all	all	DET
eurjchem-2067	74	2	non	non	ADJ
eurjchem-2067	74	3	-	-	ADJ
eurjchem-2067	74	4	hydrogen	hydrogen	ADJ
eurjchem-2067	74	5	atoms	atom	NOUN
eurjchem-2067	74	6	were	be	AUX
eurjchem-2067	74	7	revealed	reveal	VERB
eurjchem-2067	74	8	in	in	ADP
eurjchem-2067	74	9	the	the	DET
eurjchem-2067	74	10	first	first	ADJ
eurjchem-2067	74	11	fourier	fourier	NOUN
eurjchem-2067	74	12	map	map	NOUN
eurjchem-2067	74	13	itself	itself	PRON
eurjchem-2067	74	14	.	.	PUNCT
eurjchem-2067	75	1	the	the	DET
eurjchem-2067	75	2	hydrogen	hydrogen	NOUN
eurjchem-2067	75	3	atoms	atom	NOUN
eurjchem-2067	75	4	were	be	AUX
eurjchem-2067	75	5	positioned	position	VERB
eurjchem-2067	75	6	geometrically	geometrically	ADV
eurjchem-2067	75	7	and	and	CCONJ
eurjchem-2067	75	8	were	be	AUX
eurjchem-2067	75	9	allowed	allow	VERB
eurjchem-2067	75	10	to	to	PART
eurjchem-2067	75	11	ride	ride	VERB
eurjchem-2067	75	12	on	on	ADP
eurjchem-2067	75	13	their	their	PRON
eurjchem-2067	75	14	parent	parent	NOUN
eurjchem-2067	75	15	atoms	atom	NOUN
eurjchem-2067	75	16	.	.	PUNCT
eurjchem-2067	76	1	219	219	NUM
eurjchem-2067	76	2	parameters	parameter	NOUN
eurjchem-2067	76	3	were	be	AUX
eurjchem-2067	76	4	refined	refine	VERB
eurjchem-2067	76	5	with	with	ADP
eurjchem-2067	76	6	3302	3302	NUM
eurjchem-2067	76	7	unique	unique	ADJ
eurjchem-2067	76	8	reflections	reflection	NOUN
eurjchem-2067	76	9	.	.	PUNCT
eurjchem-2067	77	1	the	the	DET
eurjchem-2067	77	2	final	final	ADJ
eurjchem-2067	77	3	residual	residual	ADJ
eurjchem-2067	77	4	value	value	NOUN
eurjchem-2067	77	5	converged	converge	VERB
eurjchem-2067	77	6	to	to	ADP
eurjchem-2067	77	7	r	r	NOUN
eurjchem-2067	77	8	=	=	PUNCT
eurjchem-2067	77	9	0.0568	0.0568	NUM
eurjchem-2067	77	10	with	with	ADP
eurjchem-2067	77	11	a	a	DET
eurjchem-2067	77	12	goodness	goodness	NOUN
eurjchem-2067	77	13	of	of	ADP
eurjchem-2067	77	14	fit	fit	ADJ
eurjchem-2067	77	15	1.050	1.050	NUM
eurjchem-2067	77	16	.	.	PUNCT
eurjchem-2067	78	1	3	3	X
eurjchem-2067	78	2	.	.	NOUN
eurjchem-2067	78	3	results	result	NOUN
eurjchem-2067	78	4	and	and	CCONJ
eurjchem-2067	78	5	discussion	discussion	NOUN
eurjchem-2067	78	6	3.1	3.1	NUM
eurjchem-2067	78	7	molecular	molecular	ADJ
eurjchem-2067	78	8	structure	structure	NOUN
eurjchem-2067	78	9	description	description	NOUN
eurjchem-2067	78	10	the	the	DET
eurjchem-2067	78	11	unit	unit	NOUN
eurjchem-2067	78	12	cell	cell	NOUN
eurjchem-2067	78	13	parameters	parameter	NOUN
eurjchem-2067	78	14	are	be	AUX
eurjchem-2067	78	15	a	a	DET
eurjchem-2067	78	16	=	=	NOUN
eurjchem-2067	78	17	7.7705(4	7.7705(4	NOUN
eurjchem-2067	78	18	)	)	PUNCT
eurjchem-2067	78	19	å	å	NOUN
eurjchem-2067	78	20	,	,	PUNCT
eurjchem-2067	78	21	b	b	X
eurjchem-2067	78	22	=	=	SYM
eurjchem-2067	78	23	10.2634(6	10.2634(6	PROPN
eurjchem-2067	78	24	)	)	PUNCT
eurjchem-2067	78	25	å	å	NOUN
eurjchem-2067	78	26	,	,	PUNCT
eurjchem-2067	78	27	c	c	NOUN
eurjchem-2067	78	28	=	=	SYM
eurjchem-2067	78	29	11.2487(6	11.2487(6	NUM
eurjchem-2067	78	30	)	)	PUNCT
eurjchem-2067	78	31	å	å	PROPN
eurjchem-2067	78	32	,	,	PUNCT
eurjchem-2067	78	33	α	α	NOUN
eurjchem-2067	78	34	=	=	PUNCT
eurjchem-2067	78	35	79.655(5	79.655(5	PROPN
eurjchem-2067	78	36	)	)	PUNCT
eurjchem-2067	78	37	°	°	NOUN
eurjchem-2067	78	38	,	,	PUNCT
eurjchem-2067	78	39	β	β	NOUN
eurjchem-2067	78	40	=	=	SYM
eurjchem-2067	78	41	81.500(5	81.500(5	NOUN
eurjchem-2067	78	42	)	)	PUNCT
eurjchem-2067	78	43	°	°	VERB
eurjchem-2067	78	44	γ	γ	X
eurjchem-2067	78	45	=	=	SYM
eurjchem-2067	78	46	68.039(5	68.039(5	NOUN
eurjchem-2067	78	47	)	)	PUNCT
eurjchem-2067	79	1	°	°	PROPN
eurjchem-2067	79	2	with	with	ADP
eurjchem-2067	79	3	z	z	NOUN
eurjchem-2067	79	4	=	=	SYM
eurjchem-2067	79	5	2	2	NUM
eurjchem-2067	79	6	.	.	PUNCT
eurjchem-2067	80	1	the	the	DET
eurjchem-2067	80	2	asymmetric	asymmetric	ADJ
eurjchem-2067	80	3	unit	unit	NOUN
eurjchem-2067	80	4	contains	contain	VERB
eurjchem-2067	80	5	one	one	NUM
eurjchem-2067	80	6	molecule	molecule	NOUN
eurjchem-2067	80	7	.	.	PUNCT
eurjchem-2067	81	1	the	the	DET
eurjchem-2067	81	2	details	detail	NOUN
eurjchem-2067	81	3	of	of	ADP
eurjchem-2067	81	4	the	the	DET
eurjchem-2067	81	5	crystal	crystal	NOUN
eurjchem-2067	81	6	structure	structure	NOUN
eurjchem-2067	81	7	and	and	CCONJ
eurjchem-2067	81	8	data	datum	NOUN
eurjchem-2067	81	9	refinement	refinement	NOUN
eurjchem-2067	81	10	are	be	AUX
eurjchem-2067	81	11	given	give	VERB
eurjchem-2067	81	12	in	in	ADP
eurjchem-2067	81	13	table	table	NOUN
eurjchem-2067	81	14	1	1	NUM
eurjchem-2067	81	15	.	.	PUNCT
eurjchem-2067	82	1	the	the	DET
eurjchem-2067	82	2	bond	bond	NOUN
eurjchem-2067	82	3	lengths	length	NOUN
eurjchem-2067	82	4	and	and	CCONJ
eurjchem-2067	82	5	bond	bond	NOUN
eurjchem-2067	82	6	angles	angle	NOUN
eurjchem-2067	82	7	are	be	AUX
eurjchem-2067	82	8	in	in	ADP
eurjchem-2067	82	9	good	good	ADJ
eurjchem-2067	82	10	agreement	agreement	NOUN
eurjchem-2067	82	11	with	with	ADP
eurjchem-2067	82	12	the	the	DET
eurjchem-2067	82	13	standard	standard	ADJ
eurjchem-2067	82	14	values	value	NOUN
eurjchem-2067	82	15	[	[	X
eurjchem-2067	82	16	18	18	NUM
eurjchem-2067	82	17	]	]	PUNCT
eurjchem-2067	82	18	.	.	PUNCT
eurjchem-2067	83	1	the	the	DET
eurjchem-2067	83	2	list	list	NOUN
eurjchem-2067	83	3	of	of	ADP
eurjchem-2067	83	4	selected	select	VERB
eurjchem-2067	83	5	bond	bond	NOUN
eurjchem-2067	83	6	lengths	length	NOUN
eurjchem-2067	83	7	,	,	PUNCT
eurjchem-2067	83	8	bond	bond	NOUN
eurjchem-2067	83	9	angles	angle	NOUN
eurjchem-2067	83	10	,	,	PUNCT
eurjchem-2067	83	11	and	and	CCONJ
eurjchem-2067	83	12	torsion	torsion	NOUN
eurjchem-2067	83	13	angles	angle	NOUN
eurjchem-2067	83	14	are	be	AUX
eurjchem-2067	83	15	given	give	VERB
eurjchem-2067	83	16	in	in	ADP
eurjchem-2067	83	17	tables	table	NOUN
eurjchem-2067	83	18	2	2	NUM
eurjchem-2067	83	19	-	-	SYM
eurjchem-2067	83	20	3	3	NUM
eurjchem-2067	83	21	,	,	PUNCT
eurjchem-2067	83	22	respectively	respectively	ADV
eurjchem-2067	83	23	.	.	PUNCT
eurjchem-2067	84	1	the	the	DET
eurjchem-2067	84	2	ortep	ortep	NOUN
eurjchem-2067	84	3	of	of	ADP
eurjchem-2067	84	4	the	the	DET
eurjchem-2067	84	5	molecule	molecule	NOUN
eurjchem-2067	84	6	with	with	ADP
eurjchem-2067	84	7	thermal	thermal	ADJ
eurjchem-2067	84	8	ellipsoids	ellipsoid	NOUN
eurjchem-2067	84	9	drawn	draw	VERB
eurjchem-2067	84	10	at	at	ADP
eurjchem-2067	84	11	50	50	NUM
eurjchem-2067	84	12	%	%	NOUN
eurjchem-2067	84	13	probability	probability	NOUN
eurjchem-2067	84	14	is	be	AUX
eurjchem-2067	84	15	shown	show	VERB
eurjchem-2067	84	16	in	in	ADP
eurjchem-2067	84	17	figure	figure	NOUN
eurjchem-2067	84	18	3	3	NUM
eurjchem-2067	84	19	.	.	PUNCT
eurjchem-2067	85	1	the	the	DET
eurjchem-2067	85	2	structure	structure	NOUN
eurjchem-2067	85	3	consists	consist	VERB
eurjchem-2067	85	4	of	of	ADP
eurjchem-2067	85	5	2,5	2,5	NUM
eurjchem-2067	85	6	-	-	PUNCT
eurjchem-2067	85	7	dimethoxyphenyl	dimethoxyphenyl	NOUN
eurjchem-2067	85	8	and	and	CCONJ
eurjchem-2067	85	9	a	a	DET
eurjchem-2067	85	10	naphthalene	naphthalene	NOUN
eurjchem-2067	85	11	moiety	moiety	NOUN
eurjchem-2067	85	12	,	,	PUNCT
eurjchem-2067	85	13	connected	connect	VERB
eurjchem-2067	85	14	via	via	ADP
eurjchem-2067	85	15	a	a	DET
eurjchem-2067	85	16	propenone	propenone	NOUN
eurjchem-2067	85	17	chain	chain	NOUN
eurjchem-2067	85	18	.	.	PUNCT
eurjchem-2067	86	1	the	the	DET
eurjchem-2067	86	2	rings	ring	NOUN
eurjchem-2067	86	3	in	in	ADP
eurjchem-2067	86	4	the	the	DET
eurjchem-2067	86	5	molecule	molecule	NOUN
eurjchem-2067	86	6	are	be	AUX
eurjchem-2067	86	7	sp2	sp2	NOUN
eurjchem-2067	86	8	hybridized	hybridize	VERB
eurjchem-2067	86	9	.	.	PUNCT
eurjchem-2067	87	1	the	the	DET
eurjchem-2067	87	2	dihedral	dihedral	ADJ
eurjchem-2067	87	3	angle	angle	NOUN
eurjchem-2067	87	4	between	between	ADP
eurjchem-2067	87	5	the	the	DET
eurjchem-2067	87	6	phenyl	phenyl	NOUN
eurjchem-2067	87	7	ring	ring	NOUN
eurjchem-2067	87	8	(	(	PUNCT
eurjchem-2067	87	9	c14	c14	NOUN
eurjchem-2067	87	10	-	-	PUNCT
eurjchem-2067	87	11	c15	c15	NOUN
eurjchem-2067	87	12	-	-	PUNCT
eurjchem-2067	87	13	c16	c16	NOUN
eurjchem-2067	87	14	-	-	PUNCT
eurjchem-2067	87	15	c17	c17	NOUN
eurjchem-2067	87	16	-	-	PUNCT
eurjchem-2067	87	17	c18	c18	NOUN
eurjchem-2067	87	18	-	-	PUNCT
eurjchem-2067	87	19	c19	c19	NOUN
eurjchem-2067	87	20	)	)	PUNCT
eurjchem-2067	87	21	and	and	CCONJ
eurjchem-2067	87	22	the	the	DET
eurjchem-2067	87	23	naphthalene	naphthalene	NOUN
eurjchem-2067	87	24	ring	ring	NOUN
eurjchem-2067	87	25	(	(	PUNCT
eurjchem-2067	87	26	c1	c1	PROPN
eurjchem-2067	87	27	-	-	PUNCT
eurjchem-2067	87	28	c2	c2	PROPN
eurjchem-2067	87	29	-	-	PUNCT
eurjchem-2067	87	30	c3	c3	PROPN
eurjchem-2067	87	31	-	-	PUNCT
eurjchem-2067	87	32	c4	c4	NOUN
eurjchem-2067	87	33	-	-	PUNCT
eurjchem-2067	87	34	c5	c5	PROPN
eurjchem-2067	87	35	-	-	PUNCT
eurjchem-2067	87	36	c6	c6	PROPN
eurjchem-2067	87	37	-	-	PUNCT
eurjchem-2067	87	38	7	7	NUM
eurjchem-2067	87	39	-	-	PUNCT
eurjchem-2067	87	40	c8	c8	NOUN
eurjchem-2067	87	41	-	-	PUNCT
eurjchem-2067	87	42	c9	c9	NOUN
eurjchem-2067	87	43	-	-	PUNCT
eurjchem-2067	87	44	c10	c10	VERB
eurjchem-2067	87	45	)	)	PUNCT
eurjchem-2067	87	46	bridged	bridge	VERB
eurjchem-2067	87	47	by	by	ADP
eurjchem-2067	87	48	propenone	propenone	NOUN
eurjchem-2067	87	49	is	be	AUX
eurjchem-2067	87	50	78.83(9)	78.83(9)	NOUN
eurjchem-2067	87	51	°	°	NUM
eurjchem-2067	87	52	.	.	PUNCT
eurjchem-2067	88	1	the	the	DET
eurjchem-2067	88	2	naphthalene	naphthalene	NOUN
eurjchem-2067	88	3	ring	ring	NOUN
eurjchem-2067	88	4	is	be	AUX
eurjchem-2067	88	5	nearly	nearly	ADV
eurjchem-2067	88	6	planar	planar	ADJ
eurjchem-2067	88	7	with	with	ADP
eurjchem-2067	88	8	a	a	DET
eurjchem-2067	88	9	maximum	maximum	ADJ
eurjchem-2067	88	10	rms	rm	NOUN
eurjchem-2067	88	11	deviation	deviation	NOUN
eurjchem-2067	88	12	of	of	ADP
eurjchem-2067	88	13	0.003(2	0.003(2	NUM
eurjchem-2067	88	14	)	)	PUNCT
eurjchem-2067	88	15	å	å	PROPN
eurjchem-2067	88	16	for	for	ADP
eurjchem-2067	88	17	c2	c2	PROPN
eurjchem-2067	88	18	atom	atom	NOUN
eurjchem-2067	88	19	.	.	PUNCT
eurjchem-2067	89	1	the	the	DET
eurjchem-2067	89	2	torsion	torsion	NOUN
eurjchem-2067	89	3	angles	angle	NOUN
eurjchem-2067	89	4	of	of	ADP
eurjchem-2067	89	5	174.9(2	174.9(2	NUM
eurjchem-2067	89	6	)	)	PUNCT
eurjchem-2067	89	7	°	°	NOUN
eurjchem-2067	89	8	for	for	ADP
eurjchem-2067	89	9	the	the	DET
eurjchem-2067	89	10	atoms	atom	NOUN
eurjchem-2067	89	11	c11	c11	NOUN
eurjchem-2067	89	12	-	-	PUNCT
eurjchem-2067	89	13	c12c13	c12c13	NOUN
eurjchem-2067	89	14	-	-	PUNCT
eurjchem-2067	89	15	c14	c14	NOUN
eurjchem-2067	89	16	indicate	indicate	VERB
eurjchem-2067	89	17	that	that	SCONJ
eurjchem-2067	89	18	the	the	DET
eurjchem-2067	89	19	propenone	propenone	NOUN
eurjchem-2067	89	20	chain	chain	NOUN
eurjchem-2067	89	21	is	be	AUX
eurjchem-2067	89	22	oriented	orient	VERB
eurjchem-2067	89	23	in	in	ADP
eurjchem-2067	89	24	a	a	DET
eurjchem-2067	89	25	+	+	ADJ
eurjchem-2067	89	26	anti	anti	ADJ
eurjchem-2067	89	27	-	-	ADJ
eurjchem-2067	89	28	periplanar	periplanar	ADJ
eurjchem-2067	89	29	conformation	conformation	NOUN
eurjchem-2067	89	30	.	.	PUNCT
eurjchem-2067	90	1	the	the	DET
eurjchem-2067	90	2	methoxy	methoxy	ADJ
eurjchem-2067	90	3	groups	group	NOUN
eurjchem-2067	90	4	are	be	AUX
eurjchem-2067	90	5	substituted	substitute	VERB
eurjchem-2067	90	6	at	at	ADP
eurjchem-2067	90	7	the	the	DET
eurjchem-2067	90	8	c16	c16	PROPN
eurjchem-2067	90	9	and	and	CCONJ
eurjchem-2067	90	10	c19	c19	NOUN
eurjchem-2067	90	11	positions	position	NOUN
eurjchem-2067	90	12	of	of	ADP
eurjchem-2067	90	13	the	the	DET
eurjchem-2067	90	14	phenyl	phenyl	NOUN
eurjchem-2067	90	15	ring	ring	NOUN
eurjchem-2067	90	16	.	.	PUNCT
eurjchem-2067	91	1	jayappa	jayappa	PROPN
eurjchem-2067	91	2	et	et	PROPN
eurjchem-2067	91	3	al	al	PROPN
eurjchem-2067	91	4	.	.	PUNCT
eurjchem-2067	91	5	/	/	SYM
eurjchem-2067	91	6	european	european	PROPN
eurjchem-2067	91	7	journal	journal	PROPN
eurjchem-2067	91	8	of	of	ADP
eurjchem-2067	91	9	chemistry	chemistry	NOUN
eurjchem-2067	91	10	12	12	NUM
eurjchem-2067	91	11	(	(	PUNCT
eurjchem-2067	91	12	1	1	NUM
eurjchem-2067	91	13	)	)	PUNCT
eurjchem-2067	91	14	(	(	PUNCT
eurjchem-2067	91	15	2021	2021	NUM
eurjchem-2067	91	16	)	)	PUNCT
eurjchem-2067	91	17	69	69	NUM
eurjchem-2067	91	18	-	-	SYM
eurjchem-2067	91	19	76	76	NUM
eurjchem-2067	91	20	71	71	NUM
eurjchem-2067	91	21	2021	2021	NUM
eurjchem-2067	91	22	–	–	PUNCT
eurjchem-2067	91	23	european	european	ADJ
eurjchem-2067	91	24	journal	journal	NOUN
eurjchem-2067	91	25	of	of	ADP
eurjchem-2067	91	26	chemistry	chemistry	NOUN
eurjchem-2067	91	27	–	–	PUNCT
eurjchem-2067	91	28	cc	cc	NOUN
eurjchem-2067	91	29	by	by	ADP
eurjchem-2067	91	30	nc	nc	PROPN
eurjchem-2067	91	31	–	–	PUNCT
eurjchem-2067	91	32	doi	doi	NOUN
eurjchem-2067	91	33	:	:	PUNCT
eurjchem-2067	91	34	10.5155	10.5155	NUM
eurjchem-2067	91	35	/	/	SYM
eurjchem-2067	91	36	eurjchem.12.1.69	eurjchem.12.1.69	NOUN
eurjchem-2067	91	37	-	-	PUNCT
eurjchem-2067	91	38	76.2067	76.2067	NUM
eurjchem-2067	91	39	table	table	NOUN
eurjchem-2067	91	40	1	1	NUM
eurjchem-2067	91	41	.	.	PUNCT
eurjchem-2067	92	1	crystal	crystal	NOUN
eurjchem-2067	92	2	data	datum	NOUN
eurjchem-2067	92	3	and	and	CCONJ
eurjchem-2067	92	4	structure	structure	NOUN
eurjchem-2067	92	5	refinement	refinement	NOUN
eurjchem-2067	92	6	details	detail	NOUN
eurjchem-2067	92	7	for	for	ADP
eurjchem-2067	92	8	the	the	DET
eurjchem-2067	92	9	compound	compound	NOUN
eurjchem-2067	92	10	.	.	PUNCT
eurjchem-2067	93	1	empirical	empirical	ADJ
eurjchem-2067	93	2	formula	formula	NOUN
eurjchem-2067	93	3	c21h18o3	c21h18o3	PROPN
eurjchem-2067	93	4	formula	formula	VERB
eurjchem-2067	93	5	weight	weight	NOUN
eurjchem-2067	93	6	318.35	318.35	NUM
eurjchem-2067	93	7	temperature	temperature	NOUN
eurjchem-2067	93	8	(	(	PUNCT
eurjchem-2067	93	9	k	k	NOUN
eurjchem-2067	93	10	)	)	PUNCT
eurjchem-2067	93	11	293(2	293(2	NUM
eurjchem-2067	93	12	)	)	PUNCT
eurjchem-2067	93	13	crystal	crystal	NOUN
eurjchem-2067	93	14	system	system	NOUN
eurjchem-2067	93	15	triclinic	triclinic	ADJ
eurjchem-2067	93	16	space	space	NOUN
eurjchem-2067	93	17	group	group	NOUN
eurjchem-2067	93	18	p-1	p-1	NOUN
eurjchem-2067	93	19	a	a	DET
eurjchem-2067	93	20	(	(	PUNCT
eurjchem-2067	93	21	å	å	NOUN
eurjchem-2067	93	22	)	)	PUNCT
eurjchem-2067	93	23	7.7705(4	7.7705(4	NOUN
eurjchem-2067	93	24	)	)	PUNCT
eurjchem-2067	93	25	b	b	NOUN
eurjchem-2067	93	26	(	(	PUNCT
eurjchem-2067	93	27	å	å	NOUN
eurjchem-2067	93	28	)	)	PUNCT
eurjchem-2067	93	29	10.2634(6	10.2634(6	NOUN
eurjchem-2067	93	30	)	)	PUNCT
eurjchem-2067	93	31	c	c	NOUN
eurjchem-2067	93	32	(	(	PUNCT
eurjchem-2067	93	33	å	å	NOUN
eurjchem-2067	93	34	)	)	PUNCT
eurjchem-2067	93	35	11.2487(6	11.2487(6	NUM
eurjchem-2067	93	36	)	)	PUNCT
eurjchem-2067	93	37	α	α	PROPN
eurjchem-2067	93	38	(	(	PUNCT
eurjchem-2067	93	39	°	°	ADJ
eurjchem-2067	93	40	)	)	PUNCT
eurjchem-2067	93	41	79.655(5	79.655(5	NOUN
eurjchem-2067	93	42	)	)	PUNCT
eurjchem-2067	93	43	β	β	X
eurjchem-2067	93	44	(	(	PUNCT
eurjchem-2067	93	45	°	°	NOUN
eurjchem-2067	93	46	)	)	PUNCT
eurjchem-2067	93	47	81.500(5	81.500(5	NOUN
eurjchem-2067	93	48	)	)	PUNCT
eurjchem-2067	93	49	γ	γ	PROPN
eurjchem-2067	93	50	(	(	PUNCT
eurjchem-2067	93	51	°	°	NOUN
eurjchem-2067	93	52	)	)	PUNCT
eurjchem-2067	93	53	68.039(5	68.039(5	NOUN
eurjchem-2067	93	54	)	)	PUNCT
eurjchem-2067	93	55	volume	volume	NOUN
eurjchem-2067	93	56	(	(	PUNCT
eurjchem-2067	93	57	å3	å3	PROPN
eurjchem-2067	93	58	)	)	PUNCT
eurjchem-2067	93	59	815.28(9	815.28(9	NUM
eurjchem-2067	93	60	)	)	PUNCT
eurjchem-2067	93	61	z	z	NOUN
eurjchem-2067	93	62	2	2	NUM
eurjchem-2067	93	63	ρcalc	ρcalc	NOUN
eurjchem-2067	93	64	(	(	PUNCT
eurjchem-2067	93	65	g	g	NOUN
eurjchem-2067	93	66	/	/	SYM
eurjchem-2067	93	67	cm3	cm3	NOUN
eurjchem-2067	93	68	)	)	PUNCT
eurjchem-2067	93	69	1.297	1.297	NUM
eurjchem-2067	93	70	μ	μ	NOUN
eurjchem-2067	93	71	(	(	PUNCT
eurjchem-2067	93	72	mm-1	mm-1	PROPN
eurjchem-2067	93	73	)	)	PUNCT
eurjchem-2067	93	74	0.086	0.086	NUM
eurjchem-2067	93	75	f(000	f(000	PROPN
eurjchem-2067	93	76	)	)	PUNCT
eurjchem-2067	93	77	336.0	336.0	NUM
eurjchem-2067	93	78	crystal	crystal	NOUN
eurjchem-2067	93	79	size	size	NOUN
eurjchem-2067	93	80	(	(	PUNCT
eurjchem-2067	93	81	mm3	mm3	PROPN
eurjchem-2067	93	82	)	)	PUNCT
eurjchem-2067	93	83	0.310	0.310	NUM
eurjchem-2067	93	84	×	×	NOUN
eurjchem-2067	93	85	0.240	0.240	NUM
eurjchem-2067	93	86	×	×	NOUN
eurjchem-2067	93	87	0.230	0.230	NUM
eurjchem-2067	93	88	radiation	radiation	NOUN
eurjchem-2067	93	89	mokα	mokα	NOUN
eurjchem-2067	93	90	(	(	PUNCT
eurjchem-2067	93	91	λ	λ	X
eurjchem-2067	93	92	=	=	SYM
eurjchem-2067	93	93	0.71073	0.71073	NUM
eurjchem-2067	93	94	)	)	PUNCT
eurjchem-2067	93	95	2θ	2θ	NUM
eurjchem-2067	93	96	range	range	VERB
eurjchem-2067	93	97	for	for	ADP
eurjchem-2067	93	98	data	data	NOUN
eurjchem-2067	93	99	collection	collection	NOUN
eurjchem-2067	93	100	(	(	PUNCT
eurjchem-2067	93	101	°	°	PROPN
eurjchem-2067	93	102	)	)	PUNCT
eurjchem-2067	93	103	4.318	4.318	NUM
eurjchem-2067	93	104	to	to	ADP
eurjchem-2067	93	105	52.728	52.728	NUM
eurjchem-2067	93	106	index	index	NOUN
eurjchem-2067	93	107	ranges	range	VERB
eurjchem-2067	93	108	-9	-9	PUNCT
eurjchem-2067	93	109	≤	≤	NUM
eurjchem-2067	93	110	h	h	NOUN
eurjchem-2067	93	111	≤	≤	NOUN
eurjchem-2067	93	112	9	9	NUM
eurjchem-2067	93	113	,	,	PUNCT
eurjchem-2067	93	114	-11	-11	PUNCT
eurjchem-2067	93	115	≤	≤	NUM
eurjchem-2067	94	1	k	k	X
eurjchem-2067	94	2	≤	≤	NUM
eurjchem-2067	94	3	12	12	NUM
eurjchem-2067	94	4	,	,	PUNCT
eurjchem-2067	94	5	-14	-14	PUNCT
eurjchem-2067	94	6	≤	≤	NUM
eurjchem-2067	94	7	l	l	NOUN
eurjchem-2067	94	8	≤	≤	NUM
eurjchem-2067	94	9	14	14	NUM
eurjchem-2067	94	10	reflections	reflection	NOUN
eurjchem-2067	94	11	collected	collect	VERB
eurjchem-2067	94	12	9126	9126	NUM
eurjchem-2067	94	13	independent	independent	ADJ
eurjchem-2067	94	14	reflections	reflection	NOUN
eurjchem-2067	94	15	3302	3302	NUM
eurjchem-2067	95	1	[	[	X
eurjchem-2067	95	2	rint	rint	X
eurjchem-2067	95	3	=	=	SYM
eurjchem-2067	95	4	0.0466	0.0466	NUM
eurjchem-2067	95	5	,	,	PUNCT
eurjchem-2067	95	6	rsigma	rsigma	ADJ
eurjchem-2067	95	7	=	=	PUNCT
eurjchem-2067	95	8	0.0528	0.0528	NUM
eurjchem-2067	95	9	]	]	X
eurjchem-2067	95	10	data	data	NOUN
eurjchem-2067	95	11	/	/	SYM
eurjchem-2067	95	12	restraints	restraint	NOUN
eurjchem-2067	95	13	/	/	SYM
eurjchem-2067	95	14	parameters	parameter	NOUN
eurjchem-2067	95	15	3302/0/219	3302/0/219	NUM
eurjchem-2067	95	16	goodness	goodness	NOUN
eurjchem-2067	95	17	-	-	PUNCT
eurjchem-2067	95	18	of	of	ADP
eurjchem-2067	95	19	-	-	PUNCT
eurjchem-2067	95	20	fit	fit	NOUN
eurjchem-2067	95	21	on	on	ADP
eurjchem-2067	95	22	f2	f2	PROPN
eurjchem-2067	95	23	1.050	1.050	NUM
eurjchem-2067	95	24	final	final	ADJ
eurjchem-2067	95	25	r	r	NOUN
eurjchem-2067	95	26	indexes	index	NOUN
eurjchem-2067	95	27	[	[	X
eurjchem-2067	95	28	i≥2σ	i≥2σ	X
eurjchem-2067	95	29	(	(	PUNCT
eurjchem-2067	95	30	i	i	NOUN
eurjchem-2067	95	31	)	)	PUNCT
eurjchem-2067	95	32	]	]	PUNCT
eurjchem-2067	95	33	r1	r1	PROPN
eurjchem-2067	95	34	=	=	SYM
eurjchem-2067	95	35	0.0568	0.0568	NUM
eurjchem-2067	95	36	,	,	PUNCT
eurjchem-2067	95	37	wr2	wr2	PROPN
eurjchem-2067	95	38	=	=	PROPN
eurjchem-2067	95	39	0.1350	0.1350	NUM
eurjchem-2067	95	40	final	final	ADJ
eurjchem-2067	95	41	r	r	NOUN
eurjchem-2067	95	42	indexes	index	NOUN
eurjchem-2067	95	43	[	[	X
eurjchem-2067	95	44	all	all	DET
eurjchem-2067	95	45	data	datum	NOUN
eurjchem-2067	95	46	]	]	PUNCT
eurjchem-2067	95	47	r1	r1	PROPN
eurjchem-2067	95	48	=	=	PUNCT
eurjchem-2067	95	49	0.0938	0.0938	PROPN
eurjchem-2067	95	50	,	,	PUNCT
eurjchem-2067	96	1	wr2	wr2	PROPN
eurjchem-2067	96	2	=	=	SYM
eurjchem-2067	96	3	0.1667	0.1667	NUM
eurjchem-2067	96	4	largest	large	ADJ
eurjchem-2067	96	5	diff	diff	NOUN
eurjchem-2067	96	6	.	.	PUNCT
eurjchem-2067	96	7	peak	peak	PROPN
eurjchem-2067	96	8	/	/	SYM
eurjchem-2067	96	9	hole	hole	NOUN
eurjchem-2067	96	10	(	(	PUNCT
eurjchem-2067	96	11	e	e	NOUN
eurjchem-2067	96	12	å-3	å-3	NUM
eurjchem-2067	96	13	)	)	PUNCT
eurjchem-2067	96	14	0.17/-0.20	0.17/-0.20	PROPN
eurjchem-2067	96	15	table	table	NOUN
eurjchem-2067	96	16	2	2	NUM
eurjchem-2067	96	17	.	.	PUNCT
eurjchem-2067	96	18	comparison	comparison	NOUN
eurjchem-2067	96	19	of	of	ADP
eurjchem-2067	96	20	bond	bond	NOUN
eurjchem-2067	96	21	lengths	length	NOUN
eurjchem-2067	96	22	of	of	ADP
eurjchem-2067	96	23	selected	select	VERB
eurjchem-2067	96	24	non	non	ADJ
eurjchem-2067	96	25	-	-	ADJ
eurjchem-2067	96	26	hydrogen	hydrogen	ADJ
eurjchem-2067	96	27	atoms	atom	NOUN
eurjchem-2067	96	28	.	.	PUNCT
eurjchem-2067	97	1	atoms	atom	NOUN
eurjchem-2067	97	2	length	length	NOUN
eurjchem-2067	97	3	(	(	PUNCT
eurjchem-2067	97	4	å	å	NOUN
eurjchem-2067	97	5	)	)	PUNCT
eurjchem-2067	97	6	atoms	atom	NOUN
eurjchem-2067	97	7	length	length	NOUN
eurjchem-2067	97	8	(	(	PUNCT
eurjchem-2067	97	9	å	å	NOUN
eurjchem-2067	97	10	)	)	PUNCT
eurjchem-2067	97	11	xrd	xrd	PROPN
eurjchem-2067	97	12	dft	dft	PROPN
eurjchem-2067	97	13	xrd	xrd	PROPN
eurjchem-2067	97	14	dft	dft	PROPN
eurjchem-2067	97	15	o1	o1	PROPN
eurjchem-2067	97	16	-	-	PUNCT
eurjchem-2067	97	17	c11	c11	NOUN
eurjchem-2067	97	18	1.229(2	1.229(2	NUM
eurjchem-2067	97	19	)	)	PUNCT
eurjchem-2067	97	20	1.198	1.198	NUM
eurjchem-2067	97	21	c10	c10	VERB
eurjchem-2067	97	22	-	-	PUNCT
eurjchem-2067	97	23	c11	c11	NOUN
eurjchem-2067	97	24	1.500(3	1.500(3	NUM
eurjchem-2067	97	25	)	)	PUNCT
eurjchem-2067	97	26	1.508	1.508	NUM
eurjchem-2067	97	27	o2	o2	PROPN
eurjchem-2067	97	28	-	-	PUNCT
eurjchem-2067	97	29	c19	c19	NOUN
eurjchem-2067	97	30	1.366(2	1.366(2	NUM
eurjchem-2067	97	31	)	)	PUNCT
eurjchem-2067	97	32	1.353	1.353	NUM
eurjchem-2067	97	33	c12	c12	PROPN
eurjchem-2067	97	34	-	-	PUNCT
eurjchem-2067	97	35	c13	c13	PROPN
eurjchem-2067	97	36	1.330(3	1.330(3	NUM
eurjchem-2067	97	37	)	)	PUNCT
eurjchem-2067	97	38	1.328	1.328	NUM
eurjchem-2067	97	39	o3	o3	PROPN
eurjchem-2067	97	40	-	-	PUNCT
eurjchem-2067	97	41	c16	c16	PROPN
eurjchem-2067	97	42	1.379(3	1.379(3	NUM
eurjchem-2067	97	43	)	)	PUNCT
eurjchem-2067	97	44	1.352	1.352	NUM
eurjchem-2067	97	45	c14	c14	NOUN
eurjchem-2067	97	46	-	-	PUNCT
eurjchem-2067	97	47	c15	c15	NOUN
eurjchem-2067	97	48	1.395(3	1.395(3	NUM
eurjchem-2067	97	49	)	)	PUNCT
eurjchem-2067	97	50	1.392	1.392	NUM
eurjchem-2067	97	51	c4	c4	NOUN
eurjchem-2067	97	52	-	-	PUNCT
eurjchem-2067	97	53	c5	c5	PROPN
eurjchem-2067	97	54	1.419(3	1.419(3	NUM
eurjchem-2067	97	55	)	)	PUNCT
eurjchem-2067	97	56	1.423	1.423	NUM
eurjchem-2067	97	57	c14	c14	NOUN
eurjchem-2067	97	58	-	-	PUNCT
eurjchem-2067	97	59	c19	c19	NOUN
eurjchem-2067	97	60	1.394(3	1.394(3	NUM
eurjchem-2067	97	61	)	)	PUNCT
eurjchem-2067	97	62	1.393	1.393	NUM
eurjchem-2067	97	63	c7	c7	PROPN
eurjchem-2067	97	64	-	-	PUNCT
eurjchem-2067	97	65	c8	c8	PROPN
eurjchem-2067	97	66	1.359(3	1.359(3	NUM
eurjchem-2067	97	67	)	)	PUNCT
eurjchem-2067	97	68	1.359	1.359	NUM
eurjchem-2067	97	69	c16	c16	NOUN
eurjchem-2067	97	70	-	-	PUNCT
eurjchem-2067	97	71	c17	c17	NOUN
eurjchem-2067	97	72	1.378(3	1.378(3	NUM
eurjchem-2067	97	73	)	)	PUNCT
eurjchem-2067	97	74	1.386	1.386	NUM
eurjchem-2067	97	75	c9	c9	NOUN
eurjchem-2067	97	76	-	-	PUNCT
eurjchem-2067	97	77	c10	c10	PROPN
eurjchem-2067	97	78	1.365(3	1.365(3	NUM
eurjchem-2067	97	79	)	)	PUNCT
eurjchem-2067	97	80	1.362	1.362	NUM
eurjchem-2067	97	81	c18	c18	NOUN
eurjchem-2067	97	82	-	-	PUNCT
eurjchem-2067	97	83	c19	c19	NOUN
eurjchem-2067	97	84	1.388(3	1.388(3	NUM
eurjchem-2067	97	85	)	)	PUNCT
eurjchem-2067	97	86	1.388	1.388	NUM
eurjchem-2067	97	87	table	table	NOUN
eurjchem-2067	97	88	3	3	NUM
eurjchem-2067	97	89	.	.	PUNCT
eurjchem-2067	97	90	comparison	comparison	NOUN
eurjchem-2067	97	91	of	of	ADP
eurjchem-2067	97	92	bond	bond	NOUN
eurjchem-2067	97	93	angles	angle	NOUN
eurjchem-2067	97	94	of	of	ADP
eurjchem-2067	97	95	selected	select	VERB
eurjchem-2067	97	96	non	non	ADJ
eurjchem-2067	97	97	-	-	ADJ
eurjchem-2067	97	98	hydrogen	hydrogen	ADJ
eurjchem-2067	97	99	atoms	atom	NOUN
eurjchem-2067	97	100	.	.	PUNCT
eurjchem-2067	98	1	atoms	atom	NOUN
eurjchem-2067	98	2	angle	angle	NOUN
eurjchem-2067	98	3	(	(	PUNCT
eurjchem-2067	98	4	°	°	PROPN
eurjchem-2067	98	5	)	)	PUNCT
eurjchem-2067	98	6	atoms	atom	NOUN
eurjchem-2067	98	7	angle	angle	NOUN
eurjchem-2067	98	8	(	(	PUNCT
eurjchem-2067	98	9	°	°	PROPN
eurjchem-2067	98	10	)	)	PUNCT
eurjchem-2067	98	11	xrd	xrd	PROPN
eurjchem-2067	98	12	dft	dft	PROPN
eurjchem-2067	98	13	xrd	xrd	PROPN
eurjchem-2067	98	14	dft	dft	PROPN
eurjchem-2067	98	15	c19	c19	PROPN
eurjchem-2067	98	16	-	-	PUNCT
eurjchem-2067	98	17	o2	o2	PROPN
eurjchem-2067	98	18	-	-	PUNCT
eurjchem-2067	98	19	c20	c20	NOUN
eurjchem-2067	98	20	118.16(17	118.16(17	NUM
eurjchem-2067	98	21	)	)	PUNCT
eurjchem-2067	98	22	119.7	119.7	NUM
eurjchem-2067	98	23	o1	o1	NOUN
eurjchem-2067	98	24	-	-	PUNCT
eurjchem-2067	98	25	c11	c11	NOUN
eurjchem-2067	98	26	-	-	PUNCT
eurjchem-2067	98	27	c10	c10	NOUN
eurjchem-2067	98	28	120.26(18	120.26(18	PROPN
eurjchem-2067	98	29	)	)	PUNCT
eurjchem-2067	98	30	120.4	120.4	NUM
eurjchem-2067	98	31	c2	c2	PROPN
eurjchem-2067	98	32	-	-	PUNCT
eurjchem-2067	98	33	c1	c1	PROPN
eurjchem-2067	98	34	-	-	PUNCT
eurjchem-2067	98	35	c6	c6	PROPN
eurjchem-2067	98	36	121.0(2	121.0(2	NUM
eurjchem-2067	98	37	)	)	PUNCT
eurjchem-2067	98	38	120.9	120.9	NUM
eurjchem-2067	98	39	o1	o1	NOUN
eurjchem-2067	98	40	-	-	PUNCT
eurjchem-2067	98	41	c11	c11	NOUN
eurjchem-2067	98	42	-	-	PUNCT
eurjchem-2067	98	43	c12	c12	NOUN
eurjchem-2067	98	44	119.26(19	119.26(19	NUM
eurjchem-2067	98	45	)	)	PUNCT
eurjchem-2067	98	46	119.2	119.2	NUM
eurjchem-2067	98	47	c1	c1	PROPN
eurjchem-2067	98	48	-	-	PUNCT
eurjchem-2067	98	49	c2	c2	PROPN
eurjchem-2067	98	50	-	-	PUNCT
eurjchem-2067	98	51	c3	c3	PROPN
eurjchem-2067	98	52	120.5(2	120.5(2	NUM
eurjchem-2067	98	53	)	)	PUNCT
eurjchem-2067	98	54	120.3	120.3	NUM
eurjchem-2067	98	55	c10	c10	VERB
eurjchem-2067	98	56	-	-	PUNCT
eurjchem-2067	98	57	c11	c11	NOUN
eurjchem-2067	98	58	-	-	PUNCT
eurjchem-2067	98	59	c12	c12	NOUN
eurjchem-2067	98	60	120.46(18	120.46(18	NOUN
eurjchem-2067	98	61	)	)	PUNCT
eurjchem-2067	98	62	120.3	120.3	NUM
eurjchem-2067	98	63	c4	c4	NOUN
eurjchem-2067	98	64	-	-	PUNCT
eurjchem-2067	98	65	c5	c5	PROPN
eurjchem-2067	98	66	-	-	PUNCT
eurjchem-2067	98	67	c6	c6	PROPN
eurjchem-2067	98	68	118.29(19	118.29(19	NUM
eurjchem-2067	98	69	)	)	PUNCT
eurjchem-2067	98	70	118.3	118.3	NUM
eurjchem-2067	98	71	c11	c11	NOUN
eurjchem-2067	98	72	-	-	PUNCT
eurjchem-2067	98	73	c12	c12	NOUN
eurjchem-2067	98	74	-	-	PUNCT
eurjchem-2067	98	75	c13	c13	NOUN
eurjchem-2067	98	76	125.4(2	125.4(2	NUM
eurjchem-2067	98	77	)	)	PUNCT
eurjchem-2067	98	78	125.2	125.2	NUM
eurjchem-2067	98	79	c1	c1	NOUN
eurjchem-2067	98	80	-	-	PUNCT
eurjchem-2067	98	81	c6	c6	PROPN
eurjchem-2067	98	82	-	-	PUNCT
eurjchem-2067	98	83	c5	c5	PROPN
eurjchem-2067	98	84	119.1(2	119.1(2	NUM
eurjchem-2067	98	85	)	)	PUNCT
eurjchem-2067	98	86	119.4	119.4	NUM
eurjchem-2067	98	87	o2	o2	PROPN
eurjchem-2067	98	88	-	-	PUNCT
eurjchem-2067	98	89	c19	c19	NOUN
eurjchem-2067	98	90	-	-	PUNCT
eurjchem-2067	98	91	c18	c18	NOUN
eurjchem-2067	98	92	124.29(19	124.29(19	NOUN
eurjchem-2067	98	93	)	)	PUNCT
eurjchem-2067	98	94	124.3	124.3	NUM
eurjchem-2067	98	95	c9	c9	NOUN
eurjchem-2067	98	96	-	-	PUNCT
eurjchem-2067	98	97	c10	c10	VERB
eurjchem-2067	98	98	-	-	PUNCT
eurjchem-2067	98	99	c11	c11	NOUN
eurjchem-2067	98	100	119.10(19	119.10(19	NUM
eurjchem-2067	98	101	)	)	PUNCT
eurjchem-2067	98	102	119.3	119.3	NUM
eurjchem-2067	98	103	c14	c14	NOUN
eurjchem-2067	98	104	-	-	PUNCT
eurjchem-2067	98	105	c19	c19	NOUN
eurjchem-2067	98	106	-	-	PUNCT
eurjchem-2067	98	107	c18	c18	NOUN
eurjchem-2067	98	108	119.8(2	119.8(2	NUM
eurjchem-2067	98	109	)	)	PUNCT
eurjchem-2067	98	110	119.4	119.4	NUM
eurjchem-2067	98	111	figure	figure	NOUN
eurjchem-2067	98	112	3	3	NUM
eurjchem-2067	98	113	.	.	PUNCT
eurjchem-2067	99	1	the	the	DET
eurjchem-2067	99	2	ortep	ortep	NOUN
eurjchem-2067	99	3	of	of	ADP
eurjchem-2067	99	4	the	the	DET
eurjchem-2067	99	5	molecule	molecule	NOUN
eurjchem-2067	99	6	with	with	ADP
eurjchem-2067	99	7	thermal	thermal	ADJ
eurjchem-2067	99	8	ellipsoids	ellipsoid	NOUN
eurjchem-2067	99	9	drawn	draw	VERB
eurjchem-2067	99	10	at	at	ADP
eurjchem-2067	99	11	50	50	NUM
eurjchem-2067	99	12	%	%	NOUN
eurjchem-2067	99	13	probability	probability	NOUN
eurjchem-2067	99	14	.	.	PUNCT
eurjchem-2067	100	1	the	the	DET
eurjchem-2067	100	2	bond	bond	NOUN
eurjchem-2067	100	3	length	length	NOUN
eurjchem-2067	100	4	of	of	ADP
eurjchem-2067	100	5	c11	c11	NOUN
eurjchem-2067	100	6	-	-	PUNCT
eurjchem-2067	100	7	o1	o1	NOUN
eurjchem-2067	100	8	is	be	AUX
eurjchem-2067	100	9	1.228(3	1.228(3	NUM
eurjchem-2067	100	10	)	)	PUNCT
eurjchem-2067	100	11	å	å	NOUN
eurjchem-2067	100	12	,	,	PUNCT
eurjchem-2067	100	13	which	which	PRON
eurjchem-2067	100	14	shows	show	VERB
eurjchem-2067	100	15	similar	similar	ADJ
eurjchem-2067	100	16	bond	bond	NOUN
eurjchem-2067	100	17	length	length	NOUN
eurjchem-2067	100	18	with	with	ADP
eurjchem-2067	100	19	the	the	DET
eurjchem-2067	100	20	other	other	ADJ
eurjchem-2067	100	21	chalcone	chalcone	NOUN
eurjchem-2067	100	22	derivatives	derivative	NOUN
eurjchem-2067	100	23	[	[	X
eurjchem-2067	100	24	19	19	NUM
eurjchem-2067	100	25	]	]	PUNCT
eurjchem-2067	100	26	.	.	PUNCT
eurjchem-2067	101	1	the	the	DET
eurjchem-2067	101	2	torsion	torsion	NOUN
eurjchem-2067	101	3	angles	angle	NOUN
eurjchem-2067	101	4	of	of	ADP
eurjchem-2067	101	5	177.8(2	177.8(2	NUM
eurjchem-2067	101	6	)	)	PUNCT
eurjchem-2067	101	7	°	°	NUM
eurjchem-2067	101	8	and	and	CCONJ
eurjchem-2067	101	9	179.7(2	179.7(2	NUM
eurjchem-2067	101	10	)	)	PUNCT
eurjchem-2067	101	11	°	°	NOUN
eurjchem-2067	101	12	for	for	ADP
eurjchem-2067	101	13	the	the	DET
eurjchem-2067	101	14	atoms	atom	NOUN
eurjchem-2067	101	15	c20	c20	NOUN
eurjchem-2067	101	16	-	-	PUNCT
eurjchem-2067	101	17	o2	o2	PROPN
eurjchem-2067	101	18	-	-	PUNCT
eurjchem-2067	101	19	c19	c19	NOUN
eurjchem-2067	101	20	-	-	PUNCT
eurjchem-2067	101	21	c14	c14	PROPN
eurjchem-2067	101	22	and	and	CCONJ
eurjchem-2067	101	23	c14	c14	NOUN
eurjchem-2067	101	24	-	-	PUNCT
eurjchem-2067	101	25	c15	c15	NOUN
eurjchem-2067	101	26	-	-	PUNCT
eurjchem-2067	101	27	c16	c16	PROPN
eurjchem-2067	101	28	-	-	PUNCT
eurjchem-2067	101	29	o3	o3	PROPN
eurjchem-2067	101	30	showed	show	VERB
eurjchem-2067	101	31	that	that	SCONJ
eurjchem-2067	101	32	they	they	PRON
eurjchem-2067	101	33	were	be	AUX
eurjchem-2067	101	34	oriented	orient	VERB
eurjchem-2067	101	35	in	in	ADP
eurjchem-2067	101	36	+	+	ADJ
eurjchem-2067	101	37	anti	anti	ADJ
eurjchem-2067	101	38	-	-	ADJ
eurjchem-2067	101	39	periplanar	periplanar	ADJ
eurjchem-2067	101	40	conformations	conformation	NOUN
eurjchem-2067	101	41	,	,	PUNCT
eurjchem-2067	101	42	respectively	respectively	ADV
eurjchem-2067	101	43	.	.	PUNCT
eurjchem-2067	102	1	the	the	DET
eurjchem-2067	102	2	structure	structure	NOUN
eurjchem-2067	102	3	exhibits	exhibit	VERB
eurjchem-2067	102	4	c	c	NOUN
eurjchem-2067	102	5	-	-	PUNCT
eurjchem-2067	102	6	h···o	h···o	NOUN
eurjchem-2067	102	7	intermolecular	intermolecular	ADJ
eurjchem-2067	102	8	and	and	CCONJ
eurjchem-2067	102	9	intramolecular	intramolecular	ADJ
eurjchem-2067	102	10	interaction	interaction	NOUN
eurjchem-2067	102	11	.	.	PUNCT
eurjchem-2067	103	1	the	the	DET
eurjchem-2067	103	2	hydrogen	hydrogen	NOUN
eurjchem-2067	103	3	bond	bond	NOUN
eurjchem-2067	103	4	interaction	interaction	NOUN
eurjchem-2067	103	5	is	be	AUX
eurjchem-2067	103	6	listed	list	VERB
eurjchem-2067	103	7	in	in	ADP
eurjchem-2067	103	8	table	table	NOUN
eurjchem-2067	103	9	5	5	NUM
eurjchem-2067	103	10	.	.	PUNCT
eurjchem-2067	104	1	the	the	DET
eurjchem-2067	104	2	packing	packing	NOUN
eurjchem-2067	104	3	of	of	ADP
eurjchem-2067	104	4	the	the	DET
eurjchem-2067	104	5	molecules	molecule	NOUN
eurjchem-2067	104	6	when	when	SCONJ
eurjchem-2067	104	7	viewed	view	VERB
eurjchem-2067	104	8	down	down	ADP
eurjchem-2067	104	9	a	a	DET
eurjchem-2067	104	10	axis	axis	NOUN
eurjchem-2067	104	11	is	be	AUX
eurjchem-2067	104	12	shown	show	VERB
eurjchem-2067	104	13	in	in	ADP
eurjchem-2067	104	14	figure	figure	NOUN
eurjchem-2067	104	15	4	4	NUM
eurjchem-2067	104	16	.	.	PUNCT
eurjchem-2067	104	17	further	far	ADV
eurjchem-2067	104	18	,	,	PUNCT
eurjchem-2067	104	19	the	the	DET
eurjchem-2067	104	20	structure	structure	NOUN
eurjchem-2067	104	21	is	be	AUX
eurjchem-2067	104	22	stabilized	stabilize	VERB
eurjchem-2067	104	23	by	by	ADP
eurjchem-2067	104	24	π	π	PROPN
eurjchem-2067	104	25	-	-	PUNCT
eurjchem-2067	104	26	π	π	ADJ
eurjchem-2067	104	27	interactions	interaction	NOUN
eurjchem-2067	104	28	.	.	PUNCT
eurjchem-2067	105	1	cg	cg	NOUN
eurjchem-2067	105	2	is	be	AUX
eurjchem-2067	105	3	the	the	DET
eurjchem-2067	105	4	centroid	centroid	NOUN
eurjchem-2067	105	5	of	of	ADP
eurjchem-2067	105	6	the	the	DET
eurjchem-2067	105	7	ring	ring	NOUN
eurjchem-2067	105	8	c14	c14	NOUN
eurjchem-2067	105	9	-	-	PUNCT
eurjchem-2067	105	10	c15	c15	NOUN
eurjchem-2067	105	11	-	-	PUNCT
eurjchem-2067	105	12	c16	c16	NOUN
eurjchem-2067	105	13	-	-	PUNCT
eurjchem-2067	105	14	c17c18	c17c18	NOUN
eurjchem-2067	105	15	-	-	PUNCT
eurjchem-2067	105	16	c19	c19	NOUN
eurjchem-2067	105	17	with	with	ADP
eurjchem-2067	105	18	cg⋯cg	cg⋯cg	PROPN
eurjchem-2067	105	19	distance	distance	NOUN
eurjchem-2067	105	20	of	of	ADP
eurjchem-2067	105	21	4.080(14	4.080(14	NUM
eurjchem-2067	105	22	)	)	PUNCT
eurjchem-2067	105	23	å	å	NOUN
eurjchem-2067	105	24	,	,	PUNCT
eurjchem-2067	105	25	and	and	CCONJ
eurjchem-2067	105	26	perpendicular	perpendicular	ADJ
eurjchem-2067	105	27	distance	distance	NOUN
eurjchem-2067	105	28	of	of	ADP
eurjchem-2067	105	29	cg	cg	NOUN
eurjchem-2067	105	30	on	on	ADP
eurjchem-2067	105	31	itself	itself	PRON
eurjchem-2067	105	32	is	be	AUX
eurjchem-2067	105	33	-3.5138(9	-3.5138(9	NOUN
eurjchem-2067	105	34	)	)	PUNCT
eurjchem-2067	105	35	å	å	NOUN
eurjchem-2067	105	36	with	with	ADP
eurjchem-2067	105	37	a	a	DET
eurjchem-2067	105	38	slippage	slippage	NOUN
eurjchem-2067	105	39	value	value	NOUN
eurjchem-2067	105	40	of	of	ADP
eurjchem-2067	105	41	2.073	2.073	NUM
eurjchem-2067	105	42	å	å	NOUN
eurjchem-2067	105	43	.	.	PUNCT
eurjchem-2067	106	1	the	the	DET
eurjchem-2067	106	2	symmetry	symmetry	NOUN
eurjchem-2067	106	3	code	code	NOUN
eurjchem-2067	106	4	for	for	ADP
eurjchem-2067	106	5	the	the	DET
eurjchem-2067	106	6	cg⋯cg	cg⋯cg	PROPN
eurjchem-2067	106	7	interaction	interaction	NOUN
eurjchem-2067	106	8	is	be	AUX
eurjchem-2067	106	9	1	1	NUM
eurjchem-2067	106	10	-	-	PUNCT
eurjchem-2067	106	11	x	x	NOUN
eurjchem-2067	106	12	,	,	PUNCT
eurjchem-2067	106	13	-y	-y	PUNCT
eurjchem-2067	106	14	,	,	PUNCT
eurjchem-2067	106	15	2	2	NUM
eurjchem-2067	106	16	-	-	PUNCT
eurjchem-2067	106	17	z.	z.	NOUN
eurjchem-2067	106	18	the	the	DET
eurjchem-2067	106	19	π⋯π	π⋯π	PROPN
eurjchem-2067	106	20	interaction	interaction	NOUN
eurjchem-2067	106	21	is	be	AUX
eurjchem-2067	106	22	shown	show	VERB
eurjchem-2067	106	23	in	in	ADP
eurjchem-2067	106	24	figure	figure	NOUN
eurjchem-2067	106	25	5	5	NUM
eurjchem-2067	106	26	.	.	NOUN
eurjchem-2067	106	27	3.2	3.2	NUM
eurjchem-2067	106	28	.	.	PUNCT
eurjchem-2067	107	1	hirshfeld	hirshfeld	PROPN
eurjchem-2067	107	2	surface	surface	PROPN
eurjchem-2067	107	3	analysis	analysis	NOUN
eurjchem-2067	107	4	hirshfeld	hirshfeld	PROPN
eurjchem-2067	107	5	surface	surface	NOUN
eurjchem-2067	107	6	analysis	analysis	NOUN
eurjchem-2067	107	7	is	be	AUX
eurjchem-2067	107	8	used	use	VERB
eurjchem-2067	107	9	to	to	PART
eurjchem-2067	107	10	study	study	VERB
eurjchem-2067	107	11	the	the	DET
eurjchem-2067	107	12	interconnectivity	interconnectivity	NOUN
eurjchem-2067	107	13	of	of	ADP
eurjchem-2067	107	14	the	the	DET
eurjchem-2067	107	15	molecules	molecule	NOUN
eurjchem-2067	107	16	.	.	PUNCT
eurjchem-2067	108	1	it	it	PRON
eurjchem-2067	108	2	uses	use	VERB
eurjchem-2067	108	3	‘	'	PUNCT
eurjchem-2067	108	4	stockholder	stockholder	NOUN
eurjchem-2067	108	5	partitioning	partitioning	NOUN
eurjchem-2067	108	6	’	'	PUNCT
eurjchem-2067	108	7	scheme	scheme	NOUN
eurjchem-2067	108	8	to	to	PART
eurjchem-2067	108	9	define	define	VERB
eurjchem-2067	108	10	the	the	DET
eurjchem-2067	108	11	atoms	atom	NOUN
eurjchem-2067	108	12	in	in	ADP
eurjchem-2067	108	13	a	a	DET
eurjchem-2067	108	14	molecule	molecule	NOUN
eurjchem-2067	108	15	.	.	PUNCT
eurjchem-2067	109	1	spackman	spackman	NOUN
eurjchem-2067	109	2	and	and	CCONJ
eurjchem-2067	109	3	byron	byron	PROPN
eurjchem-2067	109	4	introduced	introduce	VERB
eurjchem-2067	109	5	a	a	DET
eurjchem-2067	109	6	new	new	ADJ
eurjchem-2067	109	7	method	method	NOUN
eurjchem-2067	109	8	to	to	PART
eurjchem-2067	109	9	partition	partition	VERB
eurjchem-2067	109	10	the	the	DET
eurjchem-2067	109	11	electron	electron	NOUN
eurjchem-2067	109	12	densities	density	NOUN
eurjchem-2067	109	13	into	into	ADP
eurjchem-2067	109	14	fragment	fragment	ADJ
eurjchem-2067	109	15	contributions	contribution	NOUN
eurjchem-2067	109	16	based	base	VERB
eurjchem-2067	109	17	on	on	ADP
eurjchem-2067	109	18	the	the	DET
eurjchem-2067	109	19	hirshfeld	hirshfeld	PROPN
eurjchem-2067	109	20	stockholder	stockholder	NOUN
eurjchem-2067	109	21	partitioning	partition	VERB
eurjchem-2067	109	22	scheme	scheme	NOUN
eurjchem-2067	109	23	[	[	X
eurjchem-2067	109	24	20,21	20,21	NUM
eurjchem-2067	109	25	]	]	PUNCT
eurjchem-2067	109	26	.	.	PUNCT
eurjchem-2067	110	1	72	72	NUM
eurjchem-2067	110	2	jayappa	jayappa	PROPN
eurjchem-2067	110	3	et	et	PROPN
eurjchem-2067	110	4	al	al	PROPN
eurjchem-2067	110	5	.	.	PUNCT
eurjchem-2067	110	6	/	/	SYM
eurjchem-2067	110	7	european	european	PROPN
eurjchem-2067	110	8	journal	journal	PROPN
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eurjchem-2067	110	11	12	12	NUM
eurjchem-2067	110	12	(	(	PUNCT
eurjchem-2067	110	13	1	1	NUM
eurjchem-2067	110	14	)	)	PUNCT
eurjchem-2067	110	15	(	(	PUNCT
eurjchem-2067	110	16	2021	2021	NUM
eurjchem-2067	110	17	)	)	PUNCT
eurjchem-2067	110	18	69	69	NUM
eurjchem-2067	110	19	-	-	SYM
eurjchem-2067	110	20	76	76	NUM
eurjchem-2067	110	21	2021	2021	NUM
eurjchem-2067	110	22	–	–	PUNCT
eurjchem-2067	110	23	european	european	ADJ
eurjchem-2067	110	24	journal	journal	NOUN
eurjchem-2067	110	25	of	of	ADP
eurjchem-2067	110	26	chemistry	chemistry	NOUN
eurjchem-2067	110	27	–	–	PUNCT
eurjchem-2067	110	28	cc	cc	NOUN
eurjchem-2067	110	29	by	by	ADP
eurjchem-2067	110	30	nc	nc	PROPN
eurjchem-2067	110	31	–	–	PUNCT
eurjchem-2067	110	32	doi	doi	NOUN
eurjchem-2067	110	33	:	:	PUNCT
eurjchem-2067	110	34	10.5155	10.5155	NUM
eurjchem-2067	110	35	/	/	SYM
eurjchem-2067	110	36	eurjchem.12.1.69	eurjchem.12.1.69	NOUN
eurjchem-2067	110	37	-	-	PUNCT
eurjchem-2067	110	38	76.2067	76.2067	NUM
eurjchem-2067	110	39	table	table	NOUN
eurjchem-2067	110	40	4	4	NUM
eurjchem-2067	110	41	.	.	PUNCT
eurjchem-2067	110	42	comparison	comparison	NOUN
eurjchem-2067	110	43	of	of	ADP
eurjchem-2067	110	44	torsion	torsion	NOUN
eurjchem-2067	110	45	angles	angle	NOUN
eurjchem-2067	110	46	of	of	ADP
eurjchem-2067	110	47	selected	select	VERB
eurjchem-2067	110	48	non	non	ADJ
eurjchem-2067	110	49	-	-	ADJ
eurjchem-2067	110	50	hydrogen	hydrogen	ADJ
eurjchem-2067	110	51	atoms	atom	NOUN
eurjchem-2067	110	52	.	.	PUNCT
eurjchem-2067	111	1	atoms	atom	NOUN
eurjchem-2067	111	2	angle	angle	NOUN
eurjchem-2067	111	3	(	(	PUNCT
eurjchem-2067	111	4	°	°	PROPN
eurjchem-2067	111	5	)	)	PUNCT
eurjchem-2067	111	6	atoms	atom	NOUN
eurjchem-2067	111	7	angle	angle	NOUN
eurjchem-2067	111	8	(	(	PUNCT
eurjchem-2067	111	9	°	°	PROPN
eurjchem-2067	111	10	)	)	PUNCT
eurjchem-2067	111	11	xrd	xrd	PROPN
eurjchem-2067	111	12	dft	dft	PROPN
eurjchem-2067	111	13	xrd	xrd	PROPN
eurjchem-2067	111	14	dft	dft	PROPN
eurjchem-2067	111	15	c20	c20	PROPN
eurjchem-2067	111	16	-	-	PUNCT
eurjchem-2067	111	17	o2	o2	PROPN
eurjchem-2067	111	18	-	-	PUNCT
eurjchem-2067	111	19	c19	c19	NOUN
eurjchem-2067	111	20	-	-	PUNCT
eurjchem-2067	111	21	c14	c14	NOUN
eurjchem-2067	111	22	177.80(18	177.80(18	NOUN
eurjchem-2067	111	23	)	)	PUNCT
eurjchem-2067	112	1	-178.4	-178.4	PROPN
eurjchem-2067	112	2	c7	c7	PROPN
eurjchem-2067	112	3	-	-	PUNCT
eurjchem-2067	112	4	c8	c8	PROPN
eurjchem-2067	112	5	-	-	PUNCT
eurjchem-2067	112	6	c9	c9	NOUN
eurjchem-2067	112	7	-	-	PUNCT
eurjchem-2067	112	8	c10	c10	PROPN
eurjchem-2067	112	9	1.6(3	1.6(3	NUM
eurjchem-2067	112	10	)	)	PUNCT
eurjchem-2067	112	11	1.2	1.2	NUM
eurjchem-2067	112	12	c20	c20	NOUN
eurjchem-2067	112	13	-	-	PUNCT
eurjchem-2067	112	14	o2	o2	PROPN
eurjchem-2067	112	15	-	-	PUNCT
eurjchem-2067	112	16	c19	c19	NOUN
eurjchem-2067	112	17	-	-	PUNCT
eurjchem-2067	112	18	c18	c18	NOUN
eurjchem-2067	112	19	−1.0(3	−1.0(3	NOUN
eurjchem-2067	112	20	)	)	PUNCT
eurjchem-2067	112	21	0.9	0.9	NUM
eurjchem-2067	112	22	c11	c11	NOUN
eurjchem-2067	112	23	-	-	PUNCT
eurjchem-2067	112	24	c12	c12	NOUN
eurjchem-2067	112	25	-	-	PUNCT
eurjchem-2067	112	26	c13	c13	PROPN
eurjchem-2067	112	27	-	-	PUNCT
eurjchem-2067	112	28	c14	c14	PROPN
eurjchem-2067	112	29	174.87(19	174.87(19	PROPN
eurjchem-2067	112	30	)	)	PUNCT
eurjchem-2067	112	31	175.1	175.1	NUM
eurjchem-2067	112	32	c2	c2	PROPN
eurjchem-2067	112	33	-	-	PUNCT
eurjchem-2067	112	34	c1	c1	PROPN
eurjchem-2067	112	35	-	-	PUNCT
eurjchem-2067	112	36	c6	c6	PROPN
eurjchem-2067	112	37	-	-	PUNCT
eurjchem-2067	112	38	c7	c7	PROPN
eurjchem-2067	112	39	−179.5(2	−179.5(2	NOUN
eurjchem-2067	112	40	)	)	PUNCT
eurjchem-2067	112	41	-179.9	-179.9	PROPN
eurjchem-2067	112	42	c13	c13	PROPN
eurjchem-2067	112	43	-	-	PUNCT
eurjchem-2067	112	44	c14	c14	NOUN
eurjchem-2067	112	45	-	-	PUNCT
eurjchem-2067	112	46	c15	c15	NOUN
eurjchem-2067	112	47	-	-	PUNCT
eurjchem-2067	112	48	c16	c16	PROPN
eurjchem-2067	112	49	179.52(19	179.52(19	NUM
eurjchem-2067	112	50	)	)	PUNCT
eurjchem-2067	113	1	-179.4	-179.4	PROPN
eurjchem-2067	113	2	c4	c4	NOUN
eurjchem-2067	113	3	-	-	PUNCT
eurjchem-2067	113	4	c5	c5	PROPN
eurjchem-2067	113	5	-	-	PUNCT
eurjchem-2067	113	6	c6	c6	PROPN
eurjchem-2067	113	7	-	-	PUNCT
eurjchem-2067	113	8	c7	c7	PROPN
eurjchem-2067	113	9	178.15(18	178.15(18	NUM
eurjchem-2067	113	10	)	)	PUNCT
eurjchem-2067	113	11	-179.8	-179.8	PROPN
eurjchem-2067	113	12	c14	c14	NOUN
eurjchem-2067	113	13	-	-	PUNCT
eurjchem-2067	113	14	c15	c15	NOUN
eurjchem-2067	113	15	-	-	PUNCT
eurjchem-2067	113	16	c16	c16	PROPN
eurjchem-2067	113	17	-	-	PUNCT
eurjchem-2067	113	18	o3	o3	PROPN
eurjchem-2067	113	19	179.73(18	179.73(18	NUM
eurjchem-2067	113	20	)	)	PUNCT
eurjchem-2067	113	21	179.4	179.4	NUM
eurjchem-2067	113	22	c1	c1	NOUN
eurjchem-2067	113	23	-	-	PUNCT
eurjchem-2067	113	24	c6	c6	PROPN
eurjchem-2067	113	25	-	-	PUNCT
eurjchem-2067	113	26	c7	c7	PROPN
eurjchem-2067	113	27	-	-	PUNCT
eurjchem-2067	113	28	c8	c8	PROPN
eurjchem-2067	113	29	179.5(2	179.5(2	NUM
eurjchem-2067	113	30	)	)	PUNCT
eurjchem-2067	113	31	179.0	179.0	NUM
eurjchem-2067	113	32	c16	c16	NOUN
eurjchem-2067	113	33	-	-	PUNCT
eurjchem-2067	113	34	c17	c17	NOUN
eurjchem-2067	113	35	-	-	PUNCT
eurjchem-2067	113	36	c18	c18	NOUN
eurjchem-2067	113	37	-	-	PUNCT
eurjchem-2067	113	38	c19	c19	NOUN
eurjchem-2067	113	39	-0.1(3	-0.1(3	NUM
eurjchem-2067	113	40	)	)	PUNCT
eurjchem-2067	113	41	0.04	0.04	NUM
eurjchem-2067	113	42	c5	c5	PROPN
eurjchem-2067	113	43	-	-	PUNCT
eurjchem-2067	113	44	c6	c6	PROPN
eurjchem-2067	113	45	-	-	PUNCT
eurjchem-2067	113	46	c7	c7	PROPN
eurjchem-2067	113	47	-	-	PUNCT
eurjchem-2067	113	48	c8	c8	PROPN
eurjchem-2067	113	49	−0.8(3	−0.8(3	PROPN
eurjchem-2067	113	50	)	)	PUNCT
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eurjchem-2067	114	2	c17	c17	NOUN
eurjchem-2067	114	3	-	-	PUNCT
eurjchem-2067	114	4	c18	c18	NOUN
eurjchem-2067	114	5	-	-	PUNCT
eurjchem-2067	114	6	c19	c19	NOUN
eurjchem-2067	114	7	-	-	PUNCT
eurjchem-2067	114	8	o2	o2	ADJ
eurjchem-2067	114	9	179.04(19	179.04(19	NOUN
eurjchem-2067	114	10	)	)	PUNCT
eurjchem-2067	114	11	-179.9	-179.9	PROPN
eurjchem-2067	114	12	table	table	NOUN
eurjchem-2067	114	13	5	5	NUM
eurjchem-2067	114	14	.	.	PUNCT
eurjchem-2067	114	15	hydrogen	hydrogen	NOUN
eurjchem-2067	114	16	bond	bond	NOUN
eurjchem-2067	114	17	interactions	interaction	NOUN
eurjchem-2067	114	18	.	.	PUNCT
eurjchem-2067	115	1	d	d	X
eurjchem-2067	115	2	-	-	PUNCT
eurjchem-2067	115	3	h···a	h···a	ADJ
eurjchem-2067	115	4	d	d	NOUN
eurjchem-2067	115	5	-	-	PUNCT
eurjchem-2067	115	6	h	h	NOUN
eurjchem-2067	115	7	(	(	PUNCT
eurjchem-2067	115	8	å	å	NOUN
eurjchem-2067	115	9	)	)	PUNCT
eurjchem-2067	115	10	h···a	h···a	PROPN
eurjchem-2067	115	11	(	(	PUNCT
eurjchem-2067	115	12	å	å	NOUN
eurjchem-2067	115	13	)	)	PUNCT
eurjchem-2067	115	14	d	d	NOUN
eurjchem-2067	115	15	-	-	PUNCT
eurjchem-2067	115	16	a	a	DET
eurjchem-2067	115	17	(	(	PUNCT
eurjchem-2067	115	18	å	å	NOUN
eurjchem-2067	115	19	)	)	PUNCT
eurjchem-2067	115	20	∠	∠	NOUN
eurjchem-2067	115	21	d	d	PROPN
eurjchem-2067	115	22	-	-	PUNCT
eurjchem-2067	115	23	h···a	h···a	ADJ
eurjchem-2067	115	24	(	(	PUNCT
eurjchem-2067	115	25	°	°	PROPN
eurjchem-2067	115	26	)	)	PUNCT
eurjchem-2067	115	27	c18	c18	NOUN
eurjchem-2067	115	28	-	-	PUNCT
eurjchem-2067	115	29	h13···o1i	h13···o1i	NOUN
eurjchem-2067	115	30	0.93	0.93	NUM
eurjchem-2067	115	31	2.53	2.53	NUM
eurjchem-2067	115	32	3.453(3	3.453(3	NUM
eurjchem-2067	115	33	)	)	PUNCT
eurjchem-2067	115	34	172	172	NUM
eurjchem-2067	115	35	i	i	NOUN
eurjchem-2067	115	36	1	1	NUM
eurjchem-2067	115	37	-	-	SYM
eurjchem-2067	115	38	x	x	NOUN
eurjchem-2067	115	39	,	,	PUNCT
eurjchem-2067	115	40	-y	-y	PUNCT
eurjchem-2067	115	41	,	,	PUNCT
eurjchem-2067	115	42	2	2	NUM
eurjchem-2067	115	43	-	-	PUNCT
eurjchem-2067	115	44	z.	z.	NOUN
eurjchem-2067	115	45	figure	figure	NOUN
eurjchem-2067	115	46	4	4	NUM
eurjchem-2067	115	47	.	.	PUNCT
eurjchem-2067	115	48	packing	packing	NOUN
eurjchem-2067	115	49	of	of	ADP
eurjchem-2067	115	50	the	the	DET
eurjchem-2067	115	51	molecules	molecule	NOUN
eurjchem-2067	115	52	viewed	view	VERB
eurjchem-2067	115	53	along	along	ADP
eurjchem-2067	115	54	a	a	DET
eurjchem-2067	115	55	axis	axis	NOUN
eurjchem-2067	115	56	.	.	PUNCT
eurjchem-2067	116	1	figure	figure	NOUN
eurjchem-2067	116	2	5	5	NUM
eurjchem-2067	116	3	.	.	PUNCT
eurjchem-2067	117	1	the	the	DET
eurjchem-2067	117	2	molecules	molecule	NOUN
eurjchem-2067	117	3	showing	show	VERB
eurjchem-2067	117	4	π⋯π	π⋯π	PRON
eurjchem-2067	117	5	interactions	interaction	NOUN
eurjchem-2067	117	6	in	in	ADP
eurjchem-2067	117	7	the	the	DET
eurjchem-2067	117	8	crystal	crystal	NOUN
eurjchem-2067	117	9	structure	structure	NOUN
eurjchem-2067	117	10	.	.	PUNCT
eurjchem-2067	118	1	figure	figure	VERB
eurjchem-2067	118	2	6	6	NUM
eurjchem-2067	118	3	.	.	PUNCT
eurjchem-2067	119	1	hirshfeld	hirshfeld	PROPN
eurjchem-2067	119	2	surface	surface	PROPN
eurjchem-2067	119	3	mapped	map	VERB
eurjchem-2067	119	4	with	with	ADP
eurjchem-2067	119	5	normalized	normalize	VERB
eurjchem-2067	119	6	contact	contact	NOUN
eurjchem-2067	119	7	distance	distance	NOUN
eurjchem-2067	119	8	dnorm	dnorm	NOUN
eurjchem-2067	119	9	.	.	PUNCT
eurjchem-2067	120	1	the	the	DET
eurjchem-2067	120	2	resulting	result	VERB
eurjchem-2067	120	3	surfaces	surface	NOUN
eurjchem-2067	120	4	are	be	AUX
eurjchem-2067	120	5	called	call	VERB
eurjchem-2067	120	6	hirshfeld	hirshfeld	ADJ
eurjchem-2067	120	7	surfaces	surface	NOUN
eurjchem-2067	120	8	.	.	PUNCT
eurjchem-2067	121	1	they	they	PRON
eurjchem-2067	121	2	help	help	VERB
eurjchem-2067	121	3	to	to	PART
eurjchem-2067	121	4	identify	identify	VERB
eurjchem-2067	121	5	the	the	DET
eurjchem-2067	121	6	intermolecular	intermolecular	ADJ
eurjchem-2067	121	7	interactions	interaction	NOUN
eurjchem-2067	121	8	that	that	PRON
eurjchem-2067	121	9	are	be	AUX
eurjchem-2067	121	10	responsible	responsible	ADJ
eurjchem-2067	121	11	for	for	ADP
eurjchem-2067	121	12	the	the	DET
eurjchem-2067	121	13	connectivity	connectivity	NOUN
eurjchem-2067	121	14	of	of	ADP
eurjchem-2067	121	15	the	the	DET
eurjchem-2067	121	16	molecules	molecule	NOUN
eurjchem-2067	121	17	in	in	ADP
eurjchem-2067	121	18	the	the	DET
eurjchem-2067	121	19	crystal	crystal	NOUN
eurjchem-2067	121	20	structure	structure	NOUN
eurjchem-2067	121	21	.	.	PUNCT
eurjchem-2067	122	1	hirshfeld	hirshfeld	PROPN
eurjchem-2067	122	2	surface	surface	PROPN
eurjchem-2067	122	3	study	study	NOUN
eurjchem-2067	122	4	is	be	AUX
eurjchem-2067	122	5	a	a	DET
eurjchem-2067	122	6	powerful	powerful	ADJ
eurjchem-2067	122	7	tool	tool	NOUN
eurjchem-2067	122	8	which	which	PRON
eurjchem-2067	122	9	is	be	AUX
eurjchem-2067	122	10	used	use	VERB
eurjchem-2067	122	11	to	to	PART
eurjchem-2067	122	12	visualize	visualize	VERB
eurjchem-2067	122	13	the	the	DET
eurjchem-2067	122	14	intermolecular	intermolecular	ADJ
eurjchem-2067	122	15	interactions	interaction	NOUN
eurjchem-2067	122	16	by	by	ADP
eurjchem-2067	122	17	a	a	DET
eurjchem-2067	122	18	3	3	NUM
eurjchem-2067	122	19	-	-	PUNCT
eurjchem-2067	122	20	d	d	NOUN
eurjchem-2067	122	21	color	color	NOUN
eurjchem-2067	122	22	coding	code	VERB
eurjchem-2067	122	23	system	system	NOUN
eurjchem-2067	122	24	.	.	PUNCT
eurjchem-2067	123	1	this	this	PRON
eurjchem-2067	123	2	can	can	AUX
eurjchem-2067	123	3	further	far	ADV
eurjchem-2067	123	4	be	be	AUX
eurjchem-2067	123	5	resolved	resolve	VERB
eurjchem-2067	123	6	into	into	ADP
eurjchem-2067	123	7	2d	2d	NUM
eurjchem-2067	123	8	fingerprint	fingerprint	NOUN
eurjchem-2067	123	9	plots	plot	NOUN
eurjchem-2067	123	10	,	,	PUNCT
eurjchem-2067	123	11	which	which	PRON
eurjchem-2067	123	12	quantitatively	quantitatively	ADV
eurjchem-2067	123	13	summarize	summarize	VERB
eurjchem-2067	123	14	the	the	DET
eurjchem-2067	123	15	nature	nature	NOUN
eurjchem-2067	123	16	and	and	CCONJ
eurjchem-2067	123	17	type	type	NOUN
eurjchem-2067	123	18	of	of	ADP
eurjchem-2067	123	19	intermolecular	intermolecular	ADJ
eurjchem-2067	123	20	contacts	contact	NOUN
eurjchem-2067	123	21	in	in	ADP
eurjchem-2067	123	22	the	the	DET
eurjchem-2067	123	23	crystal	crystal	NOUN
eurjchem-2067	123	24	[	[	X
eurjchem-2067	123	25	22	22	NUM
eurjchem-2067	123	26	]	]	PUNCT
eurjchem-2067	123	27	.	.	PUNCT
eurjchem-2067	124	1	the	the	DET
eurjchem-2067	124	2	surfaces	surface	NOUN
eurjchem-2067	124	3	generated	generate	VERB
eurjchem-2067	124	4	using	use	VERB
eurjchem-2067	124	5	dnorm	dnorm	NOUN
eurjchem-2067	124	6	function	function	NOUN
eurjchem-2067	124	7	are	be	AUX
eurjchem-2067	124	8	illustrated	illustrate	VERB
eurjchem-2067	124	9	for	for	ADP
eurjchem-2067	124	10	a	a	DET
eurjchem-2067	124	11	clear	clear	ADJ
eurjchem-2067	124	12	visualization	visualization	NOUN
eurjchem-2067	124	13	of	of	ADP
eurjchem-2067	124	14	the	the	DET
eurjchem-2067	124	15	molecules	molecule	NOUN
eurjchem-2067	124	16	.	.	PUNCT
eurjchem-2067	125	1	the	the	DET
eurjchem-2067	125	2	high	high	ADJ
eurjchem-2067	125	3	resolution	resolution	NOUN
eurjchem-2067	125	4	hirshfeld	hirshfeld	NOUN
eurjchem-2067	125	5	surfaces	surface	NOUN
eurjchem-2067	125	6	are	be	AUX
eurjchem-2067	125	7	mapped	map	VERB
eurjchem-2067	125	8	with	with	ADP
eurjchem-2067	125	9	the	the	DET
eurjchem-2067	125	10	function	function	NOUN
eurjchem-2067	125	11	dnorm	dnorm	NOUN
eurjchem-2067	125	12	,	,	PUNCT
eurjchem-2067	125	13	where	where	SCONJ
eurjchem-2067	125	14	dnorm	dnorm	NOUN
eurjchem-2067	125	15	is	be	AUX
eurjchem-2067	125	16	the	the	DET
eurjchem-2067	125	17	normalized	normalize	VERB
eurjchem-2067	125	18	contact	contact	NOUN
eurjchem-2067	125	19	distance	distance	NOUN
eurjchem-2067	125	20	which	which	PRON
eurjchem-2067	125	21	is	be	AUX
eurjchem-2067	125	22	surface	surface	NOUN
eurjchem-2067	125	23	property	property	NOUN
eurjchem-2067	125	24	and	and	CCONJ
eurjchem-2067	125	25	is	be	AUX
eurjchem-2067	125	26	given	give	VERB
eurjchem-2067	125	27	by	by	ADP
eurjchem-2067	125	28	jayappa	jayappa	PROPN
eurjchem-2067	125	29	et	et	PROPN
eurjchem-2067	125	30	al	al	PROPN
eurjchem-2067	125	31	.	.	PUNCT
eurjchem-2067	125	32	/	/	SYM
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eurjchem-2067	125	34	journal	journal	PROPN
eurjchem-2067	125	35	of	of	ADP
eurjchem-2067	125	36	chemistry	chemistry	NOUN
eurjchem-2067	125	37	12	12	NUM
eurjchem-2067	125	38	(	(	PUNCT
eurjchem-2067	125	39	1	1	NUM
eurjchem-2067	125	40	)	)	PUNCT
eurjchem-2067	125	41	(	(	PUNCT
eurjchem-2067	125	42	2021	2021	NUM
eurjchem-2067	125	43	)	)	PUNCT
eurjchem-2067	125	44	69	69	NUM
eurjchem-2067	125	45	-	-	SYM
eurjchem-2067	125	46	76	76	NUM
eurjchem-2067	125	47	73	73	NUM
eurjchem-2067	125	48	2021	2021	NUM
eurjchem-2067	125	49	–	–	PUNCT
eurjchem-2067	125	50	european	european	ADJ
eurjchem-2067	125	51	journal	journal	NOUN
eurjchem-2067	125	52	of	of	ADP
eurjchem-2067	125	53	chemistry	chemistry	NOUN
eurjchem-2067	125	54	–	–	PUNCT
eurjchem-2067	125	55	cc	cc	NOUN
eurjchem-2067	125	56	by	by	ADP
eurjchem-2067	125	57	nc	nc	PROPN
eurjchem-2067	125	58	–	–	PUNCT
eurjchem-2067	125	59	doi	doi	NOUN
eurjchem-2067	125	60	:	:	PUNCT
eurjchem-2067	125	61	10.5155	10.5155	NUM
eurjchem-2067	125	62	/	/	SYM
eurjchem-2067	125	63	eurjchem.12.1.69	eurjchem.12.1.69	NOUN
eurjchem-2067	125	64	-	-	PUNCT
eurjchem-2067	125	65	76.2067	76.2067	NUM
eurjchem-2067	125	66	figure	figure	NOUN
eurjchem-2067	125	67	7	7	NUM
eurjchem-2067	125	68	.	.	PUNCT
eurjchem-2067	125	69	fingerprint	fingerprint	NOUN
eurjchem-2067	125	70	plot	plot	NOUN
eurjchem-2067	125	71	of	of	ADP
eurjchem-2067	125	72	the	the	DET
eurjchem-2067	125	73	individual	individual	ADJ
eurjchem-2067	125	74	contacts	contact	NOUN
eurjchem-2067	125	75	to	to	ADP
eurjchem-2067	125	76	the	the	DET
eurjchem-2067	125	77	total	total	ADJ
eurjchem-2067	125	78	hirshfeld	hirshfeld	PROPN
eurjchem-2067	125	79	surface	surface	NOUN
eurjchem-2067	125	80	.	.	PUNCT
eurjchem-2067	126	1	(	(	PUNCT
eurjchem-2067	126	2	a	a	X
eurjchem-2067	126	3	)	)	PUNCT
eurjchem-2067	126	4	(	(	PUNCT
eurjchem-2067	126	5	b	b	X
eurjchem-2067	126	6	)	)	PUNCT
eurjchem-2067	126	7	figure	figure	NOUN
eurjchem-2067	126	8	8	8	NUM
eurjchem-2067	126	9	.	.	PUNCT
eurjchem-2067	127	1	comparison	comparison	NOUN
eurjchem-2067	127	2	of	of	ADP
eurjchem-2067	127	3	the	the	DET
eurjchem-2067	127	4	experimental	experimental	ADJ
eurjchem-2067	127	5	structure	structure	NOUN
eurjchem-2067	127	6	(	(	PUNCT
eurjchem-2067	127	7	a	a	X
eurjchem-2067	127	8	)	)	PUNCT
eurjchem-2067	127	9	with	with	ADP
eurjchem-2067	127	10	optimized	optimize	VERB
eurjchem-2067	127	11	structure	structure	NOUN
eurjchem-2067	127	12	(	(	PUNCT
eurjchem-2067	127	13	b	b	NOUN
eurjchem-2067	127	14	)	)	PUNCT
eurjchem-2067	127	15	of	of	ADP
eurjchem-2067	127	16	the	the	DET
eurjchem-2067	127	17	title	title	NOUN
eurjchem-2067	127	18	compound	compound	NOUN
eurjchem-2067	127	19	.	.	PUNCT
eurjchem-2067	128	1	dnorm	dnorm	NOUN
eurjchem-2067	128	2	=	=	SYM
eurjchem-2067	128	3	𝑑𝑑𝑖𝑖−𝑟𝑟𝑖𝑖	𝑑𝑑𝑖𝑖−𝑟𝑟𝑖𝑖	X
eurjchem-2067	128	4	𝑣𝑣𝑣𝑣𝑣𝑣	𝑣𝑣𝑣𝑣𝑣𝑣	ADJ
eurjchem-2067	128	5	𝑟𝑟𝑖𝑖	𝑟𝑟𝑖𝑖	NOUN
eurjchem-2067	128	6	𝑣𝑣𝑣𝑣𝑣𝑣	𝑣𝑣𝑣𝑣𝑣𝑣	NOUN
eurjchem-2067	128	7	+	+	CCONJ
eurjchem-2067	128	8	𝑑𝑑𝑒𝑒−𝑟𝑟𝑒𝑒	𝑑𝑑𝑒𝑒−𝑟𝑟𝑒𝑒	VERB
eurjchem-2067	128	9	𝑣𝑣𝑣𝑣𝑣𝑣	𝑣𝑣𝑣𝑣𝑣𝑣	ADJ
eurjchem-2067	128	10	𝑟𝑟𝑒𝑒𝑣𝑣𝑣𝑣𝑣𝑣	𝑟𝑟𝑒𝑒𝑣𝑣𝑣𝑣𝑣𝑣	NOUN
eurjchem-2067	128	11	(	(	PUNCT
eurjchem-2067	128	12	1	1	NUM
eurjchem-2067	128	13	)	)	PUNCT
eurjchem-2067	128	14	where	where	SCONJ
eurjchem-2067	128	15	di	di	NOUN
eurjchem-2067	128	16	and	and	CCONJ
eurjchem-2067	128	17	de	de	X
eurjchem-2067	128	18	are	be	AUX
eurjchem-2067	128	19	the	the	DET
eurjchem-2067	128	20	distances	distance	NOUN
eurjchem-2067	128	21	from	from	ADP
eurjchem-2067	128	22	the	the	DET
eurjchem-2067	128	23	nearest	near	ADJ
eurjchem-2067	128	24	nucleus	nucleus	NOUN
eurjchem-2067	128	25	inside	inside	ADP
eurjchem-2067	128	26	and	and	CCONJ
eurjchem-2067	128	27	outside	outside	ADP
eurjchem-2067	128	28	of	of	ADP
eurjchem-2067	128	29	the	the	DET
eurjchem-2067	128	30	molecule	molecule	NOUN
eurjchem-2067	128	31	from	from	ADP
eurjchem-2067	128	32	the	the	DET
eurjchem-2067	128	33	hirshfeld	hirshfeld	PROPN
eurjchem-2067	128	34	surface	surface	NOUN
eurjchem-2067	128	35	,	,	PUNCT
eurjchem-2067	128	36	respectively	respectively	ADV
eurjchem-2067	128	37	,	,	PUNCT
eurjchem-2067	128	38	and	and	CCONJ
eurjchem-2067	128	39	rivdw	rivdw	NOUN
eurjchem-2067	128	40	and	and	CCONJ
eurjchem-2067	128	41	revdw	revdw	NOUN
eurjchem-2067	128	42	are	be	AUX
eurjchem-2067	128	43	the	the	DET
eurjchem-2067	128	44	van	van	PROPN
eurjchem-2067	128	45	der	der	NOUN
eurjchem-2067	128	46	waals	waal	NOUN
eurjchem-2067	128	47	radii	radii	VERB
eurjchem-2067	128	48	.	.	PUNCT
eurjchem-2067	129	1	hirshfeld	hirshfeld	PROPN
eurjchem-2067	129	2	surface	surface	PROPN
eurjchem-2067	129	3	and	and	CCONJ
eurjchem-2067	129	4	2d	2d	NOUN
eurjchem-2067	129	5	fingerprint	fingerprint	NOUN
eurjchem-2067	129	6	plots	plot	NOUN
eurjchem-2067	129	7	were	be	AUX
eurjchem-2067	129	8	generated	generate	VERB
eurjchem-2067	129	9	using	use	VERB
eurjchem-2067	129	10	crystalexplorer17	crystalexplorer17	PROPN
eurjchem-2067	130	1	[	[	X
eurjchem-2067	130	2	23	23	NUM
eurjchem-2067	130	3	]	]	PUNCT
eurjchem-2067	130	4	.	.	PUNCT
eurjchem-2067	131	1	the	the	DET
eurjchem-2067	131	2	hirshfeld	hirshfeld	PROPN
eurjchem-2067	131	3	surface	surface	NOUN
eurjchem-2067	131	4	mapped	map	VERB
eurjchem-2067	131	5	over	over	ADP
eurjchem-2067	131	6	dnorm	dnorm	NOUN
eurjchem-2067	131	7	is	be	AUX
eurjchem-2067	131	8	shown	show	VERB
eurjchem-2067	131	9	in	in	ADP
eurjchem-2067	131	10	figure	figure	NOUN
eurjchem-2067	131	11	6	6	NUM
eurjchem-2067	131	12	.	.	PUNCT
eurjchem-2067	132	1	the	the	DET
eurjchem-2067	132	2	bright	bright	ADJ
eurjchem-2067	132	3	red	red	ADJ
eurjchem-2067	132	4	spot	spot	NOUN
eurjchem-2067	132	5	on	on	ADP
eurjchem-2067	132	6	the	the	DET
eurjchem-2067	132	7	dnorm	dnorm	NOUN
eurjchem-2067	132	8	surface	surface	NOUN
eurjchem-2067	132	9	is	be	AUX
eurjchem-2067	132	10	due	due	ADJ
eurjchem-2067	132	11	to	to	ADP
eurjchem-2067	132	12	the	the	DET
eurjchem-2067	132	13	presence	presence	NOUN
eurjchem-2067	132	14	of	of	ADP
eurjchem-2067	132	15	intermolecular	intermolecular	ADJ
eurjchem-2067	132	16	c	c	NOUN
eurjchem-2067	132	17	-	-	PUNCT
eurjchem-2067	132	18	h···o	h···o	NOUN
eurjchem-2067	132	19	interactions	interaction	NOUN
eurjchem-2067	132	20	.	.	PUNCT
eurjchem-2067	133	1	the	the	DET
eurjchem-2067	133	2	fingerprint	fingerprint	NOUN
eurjchem-2067	133	3	plots	plot	NOUN
eurjchem-2067	133	4	show	show	VERB
eurjchem-2067	133	5	the	the	DET
eurjchem-2067	133	6	various	various	ADJ
eurjchem-2067	133	7	contributions	contribution	NOUN
eurjchem-2067	133	8	to	to	ADP
eurjchem-2067	133	9	the	the	DET
eurjchem-2067	133	10	total	total	ADJ
eurjchem-2067	133	11	hirshfeld	hirshfeld	PROPN
eurjchem-2067	133	12	surface	surface	PROPN
eurjchem-2067	133	13	area	area	NOUN
eurjchem-2067	133	14	with	with	ADP
eurjchem-2067	133	15	individual	individual	ADJ
eurjchem-2067	133	16	contacts	contact	NOUN
eurjchem-2067	133	17	h···h	h···h	PROPN
eurjchem-2067	133	18	(	(	PUNCT
eurjchem-2067	133	19	51.9	51.9	NUM
eurjchem-2067	133	20	%	%	NOUN
eurjchem-2067	133	21	)	)	PUNCT
eurjchem-2067	133	22	,	,	PUNCT
eurjchem-2067	133	23	c···h	c···h	PROPN
eurjchem-2067	133	24	/	/	SYM
eurjchem-2067	133	25	h⋯c	h⋯c	PROPN
eurjchem-2067	133	26	(	(	PUNCT
eurjchem-2067	133	27	22.0	22.0	NUM
eurjchem-2067	133	28	%	%	NOUN
eurjchem-2067	133	29	)	)	PUNCT
eurjchem-2067	133	30	,	,	PUNCT
eurjchem-2067	133	31	o···h	o···h	PROPN
eurjchem-2067	133	32	/	/	SYM
eurjchem-2067	133	33	h⋯o	h⋯o	PUNCT
eurjchem-2067	133	34	(	(	PUNCT
eurjchem-2067	133	35	16.4	16.4	NUM
eurjchem-2067	133	36	%	%	NOUN
eurjchem-2067	133	37	)	)	PUNCT
eurjchem-2067	133	38	,	,	PUNCT
eurjchem-2067	133	39	c⋯c	c⋯c	PROPN
eurjchem-2067	133	40	(	(	PUNCT
eurjchem-2067	133	41	7.4	7.4	NUM
eurjchem-2067	133	42	%	%	NOUN
eurjchem-2067	133	43	)	)	PUNCT
eurjchem-2067	133	44	,	,	PUNCT
eurjchem-2067	133	45	c⋯o	c⋯o	PROPN
eurjchem-2067	133	46	/	/	SYM
eurjchem-2067	133	47	o⋯c	o⋯c	X
eurjchem-2067	133	48	(	(	PUNCT
eurjchem-2067	133	49	2.3	2.3	NUM
eurjchem-2067	133	50	%	%	NOUN
eurjchem-2067	133	51	)	)	PUNCT
eurjchem-2067	133	52	(	(	PUNCT
eurjchem-2067	133	53	figure	figure	VERB
eurjchem-2067	133	54	7	7	NUM
eurjchem-2067	133	55	)	)	PUNCT
eurjchem-2067	133	56	.	.	PUNCT
eurjchem-2067	134	1	the	the	DET
eurjchem-2067	134	2	major	major	ADJ
eurjchem-2067	134	3	contribution	contribution	NOUN
eurjchem-2067	134	4	is	be	AUX
eurjchem-2067	134	5	from	from	ADP
eurjchem-2067	134	6	h⋯h	h⋯h	ADP
eurjchem-2067	134	7	contacts	contact	NOUN
eurjchem-2067	134	8	and	and	CCONJ
eurjchem-2067	134	9	the	the	DET
eurjchem-2067	134	10	least	least	ADJ
eurjchem-2067	134	11	is	be	AUX
eurjchem-2067	134	12	from	from	ADP
eurjchem-2067	134	13	o···h	o···h	NOUN
eurjchem-2067	134	14	contacts	contact	NOUN
eurjchem-2067	134	15	.	.	PUNCT
eurjchem-2067	135	1	3.3	3.3	NUM
eurjchem-2067	135	2	.	.	PUNCT
eurjchem-2067	136	1	density	density	NOUN
eurjchem-2067	136	2	functional	functional	ADJ
eurjchem-2067	136	3	theory	theory	NOUN
eurjchem-2067	136	4	(	(	PUNCT
eurjchem-2067	136	5	dft	dft	PROPN
eurjchem-2067	136	6	)	)	PUNCT
eurjchem-2067	136	7	dft	dft	PROPN
eurjchem-2067	136	8	is	be	AUX
eurjchem-2067	136	9	a	a	DET
eurjchem-2067	136	10	computational	computational	ADJ
eurjchem-2067	136	11	approach	approach	NOUN
eurjchem-2067	136	12	to	to	PART
eurjchem-2067	136	13	know	know	VERB
eurjchem-2067	136	14	the	the	DET
eurjchem-2067	136	15	electronic	electronic	ADJ
eurjchem-2067	136	16	properties	property	NOUN
eurjchem-2067	136	17	of	of	ADP
eurjchem-2067	136	18	the	the	DET
eurjchem-2067	136	19	molecule	molecule	NOUN
eurjchem-2067	136	20	.	.	PUNCT
eurjchem-2067	137	1	the	the	DET
eurjchem-2067	137	2	molecular	molecular	ADJ
eurjchem-2067	137	3	structure	structure	NOUN
eurjchem-2067	137	4	is	be	AUX
eurjchem-2067	137	5	optimized	optimize	VERB
eurjchem-2067	137	6	in	in	ADP
eurjchem-2067	137	7	the	the	DET
eurjchem-2067	137	8	gas	gas	NOUN
eurjchem-2067	137	9	phase	phase	NOUN
eurjchem-2067	137	10	using	use	VERB
eurjchem-2067	137	11	gamess	gamess	PROPN
eurjchem-2067	137	12	software	software	NOUN
eurjchem-2067	137	13	[	[	X
eurjchem-2067	137	14	24	24	NUM
eurjchem-2067	137	15	]	]	PUNCT
eurjchem-2067	137	16	with	with	ADP
eurjchem-2067	137	17	b3lyp	b3lyp	SYM
eurjchem-2067	137	18	functional	functional	ADJ
eurjchem-2067	137	19	with	with	ADP
eurjchem-2067	137	20	the	the	DET
eurjchem-2067	137	21	6	6	NUM
eurjchem-2067	137	22	-	-	PUNCT
eurjchem-2067	137	23	31g(d	31g(d	NOUN
eurjchem-2067	137	24	,	,	PUNCT
eurjchem-2067	137	25	p	p	NOUN
eurjchem-2067	137	26	)	)	PUNCT
eurjchem-2067	137	27	basis	basis	NOUN
eurjchem-2067	137	28	set	set	NOUN
eurjchem-2067	137	29	.	.	PUNCT
eurjchem-2067	138	1	comparisons	comparison	NOUN
eurjchem-2067	138	2	of	of	ADP
eurjchem-2067	138	3	bond	bond	NOUN
eurjchem-2067	138	4	lengths	length	NOUN
eurjchem-2067	138	5	,	,	PUNCT
eurjchem-2067	138	6	bond	bond	NOUN
eurjchem-2067	138	7	angles	angle	NOUN
eurjchem-2067	138	8	,	,	PUNCT
eurjchem-2067	138	9	and	and	CCONJ
eurjchem-2067	138	10	torsion	torsion	NOUN
eurjchem-2067	138	11	angles	angle	NOUN
eurjchem-2067	138	12	of	of	ADP
eurjchem-2067	138	13	optimized	optimize	VERB
eurjchem-2067	138	14	structure	structure	NOUN
eurjchem-2067	138	15	with	with	ADP
eurjchem-2067	138	16	the	the	DET
eurjchem-2067	138	17	x	x	ADJ
eurjchem-2067	138	18	-	-	NOUN
eurjchem-2067	138	19	ray	ray	ADJ
eurjchem-2067	138	20	crystallographic	crystallographic	ADJ
eurjchem-2067	138	21	structure	structure	NOUN
eurjchem-2067	138	22	are	be	AUX
eurjchem-2067	138	23	drawn	draw	VERB
eurjchem-2067	138	24	(	(	PUNCT
eurjchem-2067	138	25	tables	table	NOUN
eurjchem-2067	138	26	3	3	NUM
eurjchem-2067	138	27	-	-	SYM
eurjchem-2067	138	28	4	4	NUM
eurjchem-2067	138	29	)	)	PUNCT
eurjchem-2067	138	30	.	.	PUNCT
eurjchem-2067	139	1	in	in	ADP
eurjchem-2067	139	2	addition	addition	NOUN
eurjchem-2067	139	3	,	,	PUNCT
eurjchem-2067	139	4	the	the	DET
eurjchem-2067	139	5	experimental	experimental	ADJ
eurjchem-2067	139	6	and	and	CCONJ
eurjchem-2067	139	7	theoretical	theoretical	ADJ
eurjchem-2067	139	8	structures	structure	NOUN
eurjchem-2067	139	9	are	be	AUX
eurjchem-2067	139	10	shown	show	VERB
eurjchem-2067	139	11	in	in	ADP
eurjchem-2067	139	12	figure	figure	NOUN
eurjchem-2067	139	13	8	8	NUM
eurjchem-2067	139	14	.	.	PUNCT
eurjchem-2067	140	1	the	the	DET
eurjchem-2067	140	2	small	small	ADJ
eurjchem-2067	140	3	deviation	deviation	NOUN
eurjchem-2067	140	4	observed	observe	VERB
eurjchem-2067	140	5	can	can	AUX
eurjchem-2067	140	6	be	be	AUX
eurjchem-2067	140	7	ascribed	ascribe	VERB
eurjchem-2067	140	8	to	to	ADP
eurjchem-2067	140	9	the	the	DET
eurjchem-2067	140	10	gas	gas	NOUN
eurjchem-2067	140	11	phase	phase	NOUN
eurjchem-2067	140	12	calculation	calculation	NOUN
eurjchem-2067	140	13	.	.	PUNCT
eurjchem-2067	141	1	3.4	3.4	NUM
eurjchem-2067	141	2	.	.	PUNCT
eurjchem-2067	141	3	frontier	frontier	NOUN
eurjchem-2067	141	4	molecular	molecular	ADJ
eurjchem-2067	141	5	orbitals	orbital	NOUN
eurjchem-2067	141	6	the	the	DET
eurjchem-2067	141	7	frontier	frontier	NOUN
eurjchem-2067	141	8	molecular	molecular	ADJ
eurjchem-2067	141	9	orbitals	orbital	NOUN
eurjchem-2067	141	10	highest	highest	ADV
eurjchem-2067	141	11	occupied	occupy	VERB
eurjchem-2067	141	12	molecular	molecular	ADJ
eurjchem-2067	141	13	orbital	orbital	ADJ
eurjchem-2067	141	14	(	(	PUNCT
eurjchem-2067	141	15	homo	homo	NOUN
eurjchem-2067	141	16	)	)	PUNCT
eurjchem-2067	141	17	and	and	CCONJ
eurjchem-2067	141	18	lowest	low	ADJ
eurjchem-2067	141	19	unoccupied	unoccupied	ADJ
eurjchem-2067	141	20	molecular	molecular	ADJ
eurjchem-2067	141	21	orbital	orbital	ADJ
eurjchem-2067	141	22	(	(	PUNCT
eurjchem-2067	141	23	lumo	lumo	NOUN
eurjchem-2067	141	24	)	)	PUNCT
eurjchem-2067	141	25	are	be	AUX
eurjchem-2067	141	26	used	use	VERB
eurjchem-2067	141	27	to	to	PART
eurjchem-2067	141	28	predict	predict	VERB
eurjchem-2067	141	29	the	the	DET
eurjchem-2067	141	30	energy	energy	NOUN
eurjchem-2067	141	31	level	level	NOUN
eurjchem-2067	141	32	,	,	PUNCT
eurjchem-2067	141	33	kinetic	kinetic	ADJ
eurjchem-2067	141	34	stability	stability	NOUN
eurjchem-2067	141	35	,	,	PUNCT
eurjchem-2067	141	36	and	and	CCONJ
eurjchem-2067	141	37	chemical	chemical	NOUN
eurjchem-2067	141	38	reactivity	reactivity	NOUN
eurjchem-2067	141	39	of	of	ADP
eurjchem-2067	141	40	a	a	DET
eurjchem-2067	141	41	molecule	molecule	NOUN
eurjchem-2067	141	42	.	.	PUNCT
eurjchem-2067	142	1	the	the	DET
eurjchem-2067	142	2	energy	energy	NOUN
eurjchem-2067	142	3	of	of	ADP
eurjchem-2067	142	4	homo	homo	NOUN
eurjchem-2067	142	5	and	and	CCONJ
eurjchem-2067	142	6	lumo	lumo	NOUN
eurjchem-2067	142	7	gives	give	VERB
eurjchem-2067	142	8	the	the	DET
eurjchem-2067	142	9	values	value	NOUN
eurjchem-2067	142	10	of	of	ADP
eurjchem-2067	142	11	electron	electron	NOUN
eurjchem-2067	142	12	affinity	affinity	NOUN
eurjchem-2067	142	13	and	and	CCONJ
eurjchem-2067	142	14	ionization	ionization	NOUN
eurjchem-2067	142	15	potential	potential	NOUN
eurjchem-2067	142	16	of	of	ADP
eurjchem-2067	142	17	the	the	DET
eurjchem-2067	142	18	molecule	molecule	NOUN
eurjchem-2067	142	19	,	,	PUNCT
eurjchem-2067	142	20	respectively	respectively	ADV
eurjchem-2067	142	21	.	.	PUNCT
eurjchem-2067	143	1	the	the	DET
eurjchem-2067	143	2	energy	energy	NOUN
eurjchem-2067	143	3	difference	difference	NOUN
eurjchem-2067	143	4	between	between	ADP
eurjchem-2067	143	5	the	the	DET
eurjchem-2067	143	6	homo	homo	NOUN
eurjchem-2067	143	7	and	and	CCONJ
eurjchem-2067	143	8	lumo	lumo	NOUN
eurjchem-2067	143	9	is	be	AUX
eurjchem-2067	143	10	termed	term	VERB
eurjchem-2067	143	11	as	as	ADP
eurjchem-2067	143	12	energy	energy	NOUN
eurjchem-2067	143	13	gap	gap	NOUN
eurjchem-2067	143	14	.	.	PUNCT
eurjchem-2067	144	1	the	the	DET
eurjchem-2067	144	2	dft	dft	PROPN
eurjchem-2067	144	3	calculations	calculation	NOUN
eurjchem-2067	144	4	were	be	AUX
eurjchem-2067	144	5	performed	perform	VERB
eurjchem-2067	144	6	with	with	ADP
eurjchem-2067	144	7	b3lyp/6	b3lyp/6	PROPN
eurjchem-2067	144	8	-	-	PROPN
eurjchem-2067	144	9	31	31	NUM
eurjchem-2067	144	10	g	g	NOUN
eurjchem-2067	144	11	(	(	PUNCT
eurjchem-2067	144	12	d	d	PROPN
eurjchem-2067	144	13	,	,	PUNCT
eurjchem-2067	144	14	p	p	NOUN
eurjchem-2067	144	15	)	)	PUNCT
eurjchem-2067	144	16	basis	basis	NOUN
eurjchem-2067	144	17	set	set	NOUN
eurjchem-2067	144	18	.	.	PUNCT
eurjchem-2067	145	1	the	the	DET
eurjchem-2067	145	2	energy	energy	NOUN
eurjchem-2067	145	3	gap	gap	NOUN
eurjchem-2067	145	4	predicts	predict	VERB
eurjchem-2067	145	5	the	the	DET
eurjchem-2067	145	6	kinetic	kinetic	ADJ
eurjchem-2067	145	7	stability	stability	NOUN
eurjchem-2067	145	8	and	and	CCONJ
eurjchem-2067	145	9	chemical	chemical	NOUN
eurjchem-2067	145	10	reactivity	reactivity	NOUN
eurjchem-2067	145	11	of	of	ADP
eurjchem-2067	145	12	the	the	DET
eurjchem-2067	145	13	molecule	molecule	NOUN
eurjchem-2067	145	14	[	[	X
eurjchem-2067	145	15	25	25	NUM
eurjchem-2067	145	16	]	]	PUNCT
eurjchem-2067	145	17	.	.	PUNCT
eurjchem-2067	146	1	the	the	DET
eurjchem-2067	146	2	energy	energy	NOUN
eurjchem-2067	146	3	gap	gap	NOUN
eurjchem-2067	146	4	for	for	ADP
eurjchem-2067	146	5	the	the	DET
eurjchem-2067	146	6	molecule	molecule	NOUN
eurjchem-2067	146	7	is	be	AUX
eurjchem-2067	146	8	found	find	VERB
eurjchem-2067	146	9	to	to	PART
eurjchem-2067	146	10	be	be	AUX
eurjchem-2067	146	11	5.486	5.486	NUM
eurjchem-2067	146	12	ev	ev	NOUN
eurjchem-2067	146	13	.	.	PUNCT
eurjchem-2067	147	1	the	the	DET
eurjchem-2067	147	2	energy	energy	NOUN
eurjchem-2067	147	3	level	level	NOUN
eurjchem-2067	147	4	of	of	ADP
eurjchem-2067	147	5	frontier	frontier	NOUN
eurjchem-2067	147	6	molecular	molecular	ADJ
eurjchem-2067	147	7	orbitals	orbital	NOUN
eurjchem-2067	147	8	is	be	AUX
eurjchem-2067	147	9	shown	show	VERB
eurjchem-2067	147	10	in	in	ADP
eurjchem-2067	147	11	figure	figure	NOUN
eurjchem-2067	147	12	9	9	NUM
eurjchem-2067	147	13	.	.	X
eurjchem-2067	147	14	74	74	NUM
eurjchem-2067	148	1	jayappa	jayappa	PROPN
eurjchem-2067	148	2	et	et	PROPN
eurjchem-2067	148	3	al	al	PROPN
eurjchem-2067	148	4	.	.	PUNCT
eurjchem-2067	148	5	/	/	SYM
eurjchem-2067	148	6	european	european	PROPN
eurjchem-2067	148	7	journal	journal	PROPN
eurjchem-2067	148	8	of	of	ADP
eurjchem-2067	148	9	chemistry	chemistry	NOUN
eurjchem-2067	148	10	12	12	NUM
eurjchem-2067	148	11	(	(	PUNCT
eurjchem-2067	148	12	1	1	NUM
eurjchem-2067	148	13	)	)	PUNCT
eurjchem-2067	148	14	(	(	PUNCT
eurjchem-2067	148	15	2021	2021	NUM
eurjchem-2067	148	16	)	)	PUNCT
eurjchem-2067	148	17	69	69	NUM
eurjchem-2067	148	18	-	-	SYM
eurjchem-2067	148	19	76	76	NUM
eurjchem-2067	148	20	2021	2021	NUM
eurjchem-2067	148	21	–	–	PUNCT
eurjchem-2067	148	22	european	european	ADJ
eurjchem-2067	148	23	journal	journal	NOUN
eurjchem-2067	148	24	of	of	ADP
eurjchem-2067	148	25	chemistry	chemistry	NOUN
eurjchem-2067	148	26	–	–	PUNCT
eurjchem-2067	148	27	cc	cc	NOUN
eurjchem-2067	148	28	by	by	ADP
eurjchem-2067	148	29	nc	nc	PROPN
eurjchem-2067	148	30	–	–	PUNCT
eurjchem-2067	148	31	doi	doi	NOUN
eurjchem-2067	148	32	:	:	PUNCT
eurjchem-2067	148	33	10.5155	10.5155	NUM
eurjchem-2067	148	34	/	/	SYM
eurjchem-2067	148	35	eurjchem.12.1.69	eurjchem.12.1.69	NOUN
eurjchem-2067	148	36	-	-	PUNCT
eurjchem-2067	148	37	76.2067	76.2067	NUM
eurjchem-2067	148	38	table	table	NOUN
eurjchem-2067	148	39	6	6	NUM
eurjchem-2067	148	40	.	.	PUNCT
eurjchem-2067	149	1	molecular	molecular	ADJ
eurjchem-2067	149	2	descriptors	descriptor	NOUN
eurjchem-2067	149	3	and	and	CCONJ
eurjchem-2067	149	4	their	their	PRON
eurjchem-2067	149	5	energies	energy	NOUN
eurjchem-2067	149	6	.	.	PUNCT
eurjchem-2067	150	1	descriptor	descriptor	NOUN
eurjchem-2067	150	2	value	value	NOUN
eurjchem-2067	150	3	(	(	PUNCT
eurjchem-2067	150	4	ev	ev	INTJ
eurjchem-2067	150	5	)	)	PUNCT
eurjchem-2067	150	6	homo	homo	NOUN
eurjchem-2067	150	7	-7.540	-7.540	PROPN
eurjchem-2067	150	8	lumo	lumo	PROPN
eurjchem-2067	150	9	2.054	2.054	NUM
eurjchem-2067	150	10	energy	energy	NOUN
eurjchem-2067	150	11	gap	gap	NOUN
eurjchem-2067	150	12	(	(	PUNCT
eurjchem-2067	150	13	δe	δe	NOUN
eurjchem-2067	150	14	)	)	PUNCT
eurjchem-2067	150	15	5.486	5.486	NUM
eurjchem-2067	150	16	ionization	ionization	NOUN
eurjchem-2067	150	17	potential	potential	NOUN
eurjchem-2067	150	18	(	(	PUNCT
eurjchem-2067	150	19	i	i	NOUN
eurjchem-2067	150	20	)	)	PUNCT
eurjchem-2067	150	21	7.540	7.540	NUM
eurjchem-2067	150	22	electron	electron	NOUN
eurjchem-2067	150	23	affinity	affinity	NOUN
eurjchem-2067	150	24	(	(	PUNCT
eurjchem-2067	150	25	e	e	NOUN
eurjchem-2067	150	26	)	)	PUNCT
eurjchem-2067	150	27	2.054	2.054	NUM
eurjchem-2067	150	28	chemical	chemical	NOUN
eurjchem-2067	150	29	potential	potential	NOUN
eurjchem-2067	150	30	(	(	PUNCT
eurjchem-2067	150	31	μ	μ	NOUN
eurjchem-2067	150	32	)	)	PUNCT
eurjchem-2067	150	33	-4.797	-4.797	PUNCT
eurjchem-2067	150	34	electronegativity	electronegativity	NOUN
eurjchem-2067	150	35	(	(	PUNCT
eurjchem-2067	150	36	χ	χ	X
eurjchem-2067	150	37	)	)	PUNCT
eurjchem-2067	150	38	4.797	4.797	NUM
eurjchem-2067	150	39	global	global	ADJ
eurjchem-2067	150	40	hardness	hardness	NOUN
eurjchem-2067	150	41	(	(	PUNCT
eurjchem-2067	150	42	σ	σ	NOUN
eurjchem-2067	150	43	)	)	PUNCT
eurjchem-2067	150	44	0.364	0.364	NUM
eurjchem-2067	150	45	global	global	ADJ
eurjchem-2067	150	46	softness	softness	NOUN
eurjchem-2067	150	47	(	(	PUNCT
eurjchem-2067	150	48	η	η	NOUN
eurjchem-2067	150	49	)	)	PUNCT
eurjchem-2067	150	50	2.743	2.743	NUM
eurjchem-2067	150	51	electrophilicity	electrophilicity	NOUN
eurjchem-2067	150	52	(	(	PUNCT
eurjchem-2067	150	53	ω	ω	NOUN
eurjchem-2067	150	54	)	)	PUNCT
eurjchem-2067	150	55	4.194	4.194	NUM
eurjchem-2067	150	56	lumo	lumo	NOUN
eurjchem-2067	150	57	,	,	PUNCT
eurjchem-2067	150	58	2.054	2.054	NUM
eurjchem-2067	150	59	ev	ev	ADP
eurjchem-2067	150	60	homo	homo	NOUN
eurjchem-2067	150	61	,	,	PUNCT
eurjchem-2067	150	62	-7.540	-7.540	NUM
eurjchem-2067	150	63	ev	ev	PART
eurjchem-2067	150	64	figure	figure	NOUN
eurjchem-2067	150	65	9	9	NUM
eurjchem-2067	150	66	.	.	PUNCT
eurjchem-2067	150	67	energy	energy	NOUN
eurjchem-2067	150	68	levels	level	NOUN
eurjchem-2067	150	69	of	of	ADP
eurjchem-2067	150	70	frontier	frontier	NOUN
eurjchem-2067	150	71	molecular	molecular	ADJ
eurjchem-2067	150	72	orbitals	orbital	NOUN
eurjchem-2067	150	73	.	.	PUNCT
eurjchem-2067	151	1	figure	figure	VERB
eurjchem-2067	151	2	10	10	NUM
eurjchem-2067	151	3	.	.	PUNCT
eurjchem-2067	152	1	the	the	DET
eurjchem-2067	152	2	mep	mep	PROPN
eurjchem-2067	152	3	plot	plot	NOUN
eurjchem-2067	152	4	of	of	ADP
eurjchem-2067	152	5	the	the	DET
eurjchem-2067	152	6	title	title	NOUN
eurjchem-2067	152	7	compound	compound	NOUN
eurjchem-2067	152	8	.	.	PUNCT
eurjchem-2067	153	1	electronegativity	electronegativity	NOUN
eurjchem-2067	153	2	,	,	PUNCT
eurjchem-2067	153	3	softness	softness	NOUN
eurjchem-2067	153	4	,	,	PUNCT
eurjchem-2067	153	5	hardness	hardness	NOUN
eurjchem-2067	153	6	,	,	PUNCT
eurjchem-2067	153	7	chemical	chemical	NOUN
eurjchem-2067	153	8	potential	potential	NOUN
eurjchem-2067	153	9	,	,	PUNCT
eurjchem-2067	153	10	and	and	CCONJ
eurjchem-2067	153	11	other	other	ADJ
eurjchem-2067	153	12	chemical	chemical	NOUN
eurjchem-2067	153	13	properties	property	NOUN
eurjchem-2067	153	14	are	be	AUX
eurjchem-2067	153	15	derived	derive	VERB
eurjchem-2067	153	16	from	from	ADP
eurjchem-2067	153	17	the	the	DET
eurjchem-2067	153	18	energies	energy	NOUN
eurjchem-2067	153	19	of	of	ADP
eurjchem-2067	153	20	homo	homo	NOUN
eurjchem-2067	153	21	and	and	CCONJ
eurjchem-2067	153	22	lumo	lumo	NOUN
eurjchem-2067	153	23	.	.	PUNCT
eurjchem-2067	154	1	the	the	DET
eurjchem-2067	154	2	electronegativity	electronegativity	NOUN
eurjchem-2067	154	3	(	(	PUNCT
eurjchem-2067	154	4	χ	χ	X
eurjchem-2067	154	5	)	)	PUNCT
eurjchem-2067	154	6	is	be	AUX
eurjchem-2067	154	7	the	the	DET
eurjchem-2067	154	8	average	average	NOUN
eurjchem-2067	154	9	of	of	ADP
eurjchem-2067	154	10	the	the	DET
eurjchem-2067	154	11	ionization	ionization	NOUN
eurjchem-2067	154	12	potential	potential	NOUN
eurjchem-2067	154	13	and	and	CCONJ
eurjchem-2067	154	14	electron	electron	NOUN
eurjchem-2067	154	15	affinity	affinity	NOUN
eurjchem-2067	154	16	of	of	ADP
eurjchem-2067	154	17	the	the	DET
eurjchem-2067	154	18	molecule	molecule	NOUN
eurjchem-2067	154	19	.	.	PUNCT
eurjchem-2067	155	1	its	its	PRON
eurjchem-2067	155	2	measure	measure	NOUN
eurjchem-2067	155	3	of	of	ADP
eurjchem-2067	155	4	the	the	DET
eurjchem-2067	155	5	tendency	tendency	NOUN
eurjchem-2067	155	6	of	of	ADP
eurjchem-2067	155	7	attracting	attract	VERB
eurjchem-2067	155	8	electrons	electron	NOUN
eurjchem-2067	155	9	.	.	PUNCT
eurjchem-2067	156	1	the	the	DET
eurjchem-2067	156	2	idea	idea	NOUN
eurjchem-2067	156	3	of	of	ADP
eurjchem-2067	156	4	hardness	hardness	NOUN
eurjchem-2067	156	5	and	and	CCONJ
eurjchem-2067	156	6	softness	softness	NOUN
eurjchem-2067	156	7	of	of	ADP
eurjchem-2067	156	8	the	the	DET
eurjchem-2067	156	9	molecule	molecule	NOUN
eurjchem-2067	156	10	was	be	AUX
eurjchem-2067	156	11	introduced	introduce	VERB
eurjchem-2067	156	12	by	by	ADP
eurjchem-2067	156	13	pearson	pearson	PROPN
eurjchem-2067	156	14	et	et	PROPN
eurjchem-2067	156	15	al	al	PROPN
eurjchem-2067	156	16	.	.	PUNCT
eurjchem-2067	157	1	[	[	X
eurjchem-2067	157	2	26	26	NUM
eurjchem-2067	157	3	]	]	PUNCT
eurjchem-2067	157	4	.	.	PUNCT
eurjchem-2067	158	1	molecules	molecule	NOUN
eurjchem-2067	158	2	with	with	ADP
eurjchem-2067	158	3	small	small	ADJ
eurjchem-2067	158	4	size	size	NOUN
eurjchem-2067	158	5	,	,	PUNCT
eurjchem-2067	158	6	high	high	ADJ
eurjchem-2067	158	7	electronegativity	electronegativity	NOUN
eurjchem-2067	158	8	are	be	AUX
eurjchem-2067	158	9	referred	refer	VERB
eurjchem-2067	158	10	as	as	ADP
eurjchem-2067	158	11	hard	hard	ADJ
eurjchem-2067	158	12	molecules	molecule	NOUN
eurjchem-2067	158	13	,	,	PUNCT
eurjchem-2067	158	14	while	while	SCONJ
eurjchem-2067	158	15	molecules	molecule	NOUN
eurjchem-2067	158	16	large	large	ADJ
eurjchem-2067	158	17	in	in	ADP
eurjchem-2067	158	18	size	size	NOUN
eurjchem-2067	158	19	and	and	CCONJ
eurjchem-2067	158	20	low	low	ADJ
eurjchem-2067	158	21	electronegativity	electronegativity	NOUN
eurjchem-2067	158	22	are	be	AUX
eurjchem-2067	158	23	known	know	VERB
eurjchem-2067	158	24	as	as	ADP
eurjchem-2067	158	25	soft	soft	ADJ
eurjchem-2067	158	26	molecules	molecule	NOUN
eurjchem-2067	159	1	[	[	X
eurjchem-2067	159	2	27	27	NUM
eurjchem-2067	159	3	]	]	PUNCT
eurjchem-2067	159	4	.	.	PUNCT
eurjchem-2067	160	1	the	the	DET
eurjchem-2067	160	2	molecular	molecular	ADJ
eurjchem-2067	160	3	properties	property	NOUN
eurjchem-2067	160	4	are	be	AUX
eurjchem-2067	160	5	calculated	calculate	VERB
eurjchem-2067	160	6	using	use	VERB
eurjchem-2067	160	7	the	the	DET
eurjchem-2067	160	8	formulae	formulae	NOUN
eurjchem-2067	160	9	,	,	PUNCT
eurjchem-2067	160	10	i	i	PRON
eurjchem-2067	160	11	=	=	NOUN
eurjchem-2067	160	12	ehomo	ehomo	ADJ
eurjchem-2067	160	13	,	,	PUNCT
eurjchem-2067	160	14	a	a	DET
eurjchem-2067	160	15	=	=	PUNCT
eurjchem-2067	160	16	elumo	elumo	ADJ
eurjchem-2067	160	17	,	,	PUNCT
eurjchem-2067	160	18	χ	χ	NOUN
eurjchem-2067	160	19	=	=	SYM
eurjchem-2067	160	20	1/2(i	1/2(i	NUM
eurjchem-2067	160	21	+	+	CCONJ
eurjchem-2067	160	22	a	a	X
eurjchem-2067	160	23	)	)	PUNCT
eurjchem-2067	160	24	,	,	PUNCT
eurjchem-2067	160	25	μ	μ	PROPN
eurjchem-2067	160	26	=	=	SYM
eurjchem-2067	160	27	-χ	-χ	PROPN
eurjchem-2067	160	28	,	,	PUNCT
eurjchem-2067	160	29	η	η	PROPN
eurjchem-2067	160	30	=	=	SYM
eurjchem-2067	160	31	δe/2	δe/2	PROPN
eurjchem-2067	160	32	,	,	PUNCT
eurjchem-2067	160	33	σ	σ	NOUN
eurjchem-2067	160	34	=	=	SYM
eurjchem-2067	160	35	1	1	NUM
eurjchem-2067	160	36	/η	/η	PUNCT
eurjchem-2067	160	37	,	,	PUNCT
eurjchem-2067	160	38	and	and	CCONJ
eurjchem-2067	160	39	ω	ω	X
eurjchem-2067	160	40	=	=	PROPN
eurjchem-2067	160	41	μ2/2η	μ2/2η	PROPN
eurjchem-2067	160	42	.	.	PUNCT
eurjchem-2067	161	1	the	the	DET
eurjchem-2067	161	2	calculated	calculated	ADJ
eurjchem-2067	161	3	values	value	NOUN
eurjchem-2067	161	4	of	of	ADP
eurjchem-2067	161	5	molecular	molecular	ADJ
eurjchem-2067	161	6	descriptors	descriptor	NOUN
eurjchem-2067	161	7	are	be	AUX
eurjchem-2067	161	8	listed	list	VERB
eurjchem-2067	161	9	in	in	ADP
eurjchem-2067	161	10	table	table	NOUN
eurjchem-2067	161	11	6	6	NUM
eurjchem-2067	161	12	.	.	NOUN
eurjchem-2067	161	13	3.5	3.5	NUM
eurjchem-2067	161	14	.	.	PUNCT
eurjchem-2067	162	1	molecular	molecular	ADJ
eurjchem-2067	162	2	electrostatic	electrostatic	ADJ
eurjchem-2067	162	3	potential	potential	NOUN
eurjchem-2067	162	4	(	(	PUNCT
eurjchem-2067	162	5	mep	mep	PROPN
eurjchem-2067	162	6	)	)	PUNCT
eurjchem-2067	162	7	the	the	DET
eurjchem-2067	162	8	molecular	molecular	ADJ
eurjchem-2067	162	9	behavior	behavior	NOUN
eurjchem-2067	162	10	can	can	AUX
eurjchem-2067	162	11	be	be	AUX
eurjchem-2067	162	12	understood	understand	VERB
eurjchem-2067	162	13	by	by	ADP
eurjchem-2067	162	14	generating	generate	VERB
eurjchem-2067	162	15	the	the	DET
eurjchem-2067	162	16	electrostatic	electrostatic	ADJ
eurjchem-2067	162	17	potential	potential	ADJ
eurjchem-2067	162	18	surface	surface	NOUN
eurjchem-2067	162	19	around	around	ADP
eurjchem-2067	162	20	the	the	DET
eurjchem-2067	162	21	molecule	molecule	NOUN
eurjchem-2067	162	22	.	.	PUNCT
eurjchem-2067	163	1	the	the	DET
eurjchem-2067	163	2	mep	mep	PROPN
eurjchem-2067	163	3	surface	surface	NOUN
eurjchem-2067	163	4	is	be	AUX
eurjchem-2067	163	5	defined	define	VERB
eurjchem-2067	163	6	as	as	ADP
eurjchem-2067	163	7	,	,	PUNCT
eurjchem-2067	163	8	at	at	ADP
eurjchem-2067	163	9	any	any	DET
eurjchem-2067	163	10	point	point	NOUN
eurjchem-2067	163	11	r(x	r(x	PROPN
eurjchem-2067	163	12	,	,	PUNCT
eurjchem-2067	163	13	y	y	PROPN
eurjchem-2067	163	14	,	,	PUNCT
eurjchem-2067	163	15	z	z	NOUN
eurjchem-2067	163	16	)	)	PUNCT
eurjchem-2067	163	17	in	in	ADP
eurjchem-2067	163	18	the	the	DET
eurjchem-2067	163	19	vicinity	vicinity	NOUN
eurjchem-2067	163	20	of	of	ADP
eurjchem-2067	163	21	a	a	DET
eurjchem-2067	163	22	molecule	molecule	NOUN
eurjchem-2067	163	23	,	,	PUNCT
eurjchem-2067	163	24	the	the	DET
eurjchem-2067	163	25	potential	potential	ADJ
eurjchem-2067	163	26	energy	energy	NOUN
eurjchem-2067	163	27	is	be	AUX
eurjchem-2067	163	28	generated	generate	VERB
eurjchem-2067	163	29	by	by	ADP
eurjchem-2067	163	30	the	the	DET
eurjchem-2067	163	31	nuclei	nucleus	NOUN
eurjchem-2067	163	32	,	,	PUNCT
eurjchem-2067	163	33	electrons	electron	NOUN
eurjchem-2067	163	34	,	,	PUNCT
eurjchem-2067	163	35	and	and	CCONJ
eurjchem-2067	163	36	molecules	molecule	NOUN
eurjchem-2067	163	37	and	and	CCONJ
eurjchem-2067	163	38	a	a	DET
eurjchem-2067	163	39	proton	proton	NOUN
eurjchem-2067	163	40	[	[	X
eurjchem-2067	163	41	28	28	NUM
eurjchem-2067	163	42	]	]	PUNCT
eurjchem-2067	163	43	.	.	PUNCT
eurjchem-2067	164	1	at	at	ADP
eurjchem-2067	164	2	any	any	DET
eurjchem-2067	164	3	point	point	NOUN
eurjchem-2067	164	4	r	r	NOUN
eurjchem-2067	164	5	,	,	PUNCT
eurjchem-2067	164	6	v(r	v(r	NOUN
eurjchem-2067	164	7	)	)	PUNCT
eurjchem-2067	164	8	is	be	AUX
eurjchem-2067	164	9	given	give	VERB
eurjchem-2067	164	10	by	by	ADP
eurjchem-2067	164	11	v(r	v(r	NOUN
eurjchem-2067	164	12	)	)	PUNCT
eurjchem-2067	164	13	=	=	SYM
eurjchem-2067	164	14	za	za	PROPN
eurjchem-2067	164	15	/	/	SYM
eurjchem-2067	164	16	(	(	PUNCT
eurjchem-2067	164	17	ra	ra	INTJ
eurjchem-2067	164	18	–	–	PUNCT
eurjchem-2067	164	19	r	r	NOUN
eurjchem-2067	164	20	)	)	PUNCT
eurjchem-2067	164	21	(	(	PUNCT
eurjchem-2067	164	22	2	2	X
eurjchem-2067	164	23	)	)	PUNCT
eurjchem-2067	164	24	where	where	SCONJ
eurjchem-2067	164	25	v(r	v(r	NOUN
eurjchem-2067	164	26	)	)	PUNCT
eurjchem-2067	164	27	is	be	AUX
eurjchem-2067	164	28	the	the	DET
eurjchem-2067	164	29	potential	potential	ADJ
eurjchem-2067	164	30	energy	energy	NOUN
eurjchem-2067	164	31	at	at	ADP
eurjchem-2067	164	32	r	r	PROPN
eurjchem-2067	164	33	,	,	PUNCT
eurjchem-2067	164	34	za	za	PROPN
eurjchem-2067	164	35	is	be	AUX
eurjchem-2067	164	36	the	the	DET
eurjchem-2067	164	37	charge	charge	NOUN
eurjchem-2067	164	38	on	on	ADP
eurjchem-2067	164	39	the	the	DET
eurjchem-2067	164	40	nucleus	nucleus	NOUN
eurjchem-2067	164	41	.	.	PUNCT
eurjchem-2067	165	1	the	the	DET
eurjchem-2067	165	2	molecular	molecular	ADJ
eurjchem-2067	165	3	electrostatic	electrostatic	ADJ
eurjchem-2067	165	4	potential	potential	ADJ
eurjchem-2067	165	5	maps	map	NOUN
eurjchem-2067	165	6	were	be	AUX
eurjchem-2067	165	7	generated	generate	VERB
eurjchem-2067	165	8	using	use	VERB
eurjchem-2067	165	9	multiwfn	multiwfn	ADJ
eurjchem-2067	165	10	software	software	NOUN
eurjchem-2067	165	11	[	[	X
eurjchem-2067	165	12	29	29	NUM
eurjchem-2067	165	13	]	]	PUNCT
eurjchem-2067	165	14	with	with	ADP
eurjchem-2067	165	15	the	the	DET
eurjchem-2067	165	16	b3lyp/631g(d	b3lyp/631g(d	PROPN
eurjchem-2067	165	17	,	,	PUNCT
eurjchem-2067	165	18	p	p	NOUN
eurjchem-2067	165	19	)	)	PUNCT
eurjchem-2067	165	20	basis	basis	NOUN
eurjchem-2067	165	21	set	set	NOUN
eurjchem-2067	165	22	.	.	PUNCT
eurjchem-2067	166	1	the	the	DET
eurjchem-2067	166	2	mep	mep	PROPN
eurjchem-2067	166	3	surface	surface	NOUN
eurjchem-2067	166	4	is	be	AUX
eurjchem-2067	166	5	shown	show	VERB
eurjchem-2067	166	6	in	in	ADP
eurjchem-2067	166	7	figure	figure	NOUN
eurjchem-2067	166	8	10	10	NUM
eurjchem-2067	166	9	.	.	PUNCT
eurjchem-2067	167	1	jayappa	jayappa	PROPN
eurjchem-2067	167	2	et	et	PROPN
eurjchem-2067	167	3	al	al	PROPN
eurjchem-2067	167	4	.	.	PUNCT
eurjchem-2067	167	5	/	/	SYM
eurjchem-2067	167	6	european	european	PROPN
eurjchem-2067	167	7	journal	journal	PROPN
eurjchem-2067	167	8	of	of	ADP
eurjchem-2067	167	9	chemistry	chemistry	NOUN
eurjchem-2067	167	10	12	12	NUM
eurjchem-2067	167	11	(	(	PUNCT
eurjchem-2067	167	12	1	1	NUM
eurjchem-2067	167	13	)	)	PUNCT
eurjchem-2067	167	14	(	(	PUNCT
eurjchem-2067	167	15	2021	2021	NUM
eurjchem-2067	167	16	)	)	PUNCT
eurjchem-2067	167	17	69	69	NUM
eurjchem-2067	167	18	-	-	SYM
eurjchem-2067	167	19	76	76	NUM
eurjchem-2067	167	20	75	75	NUM
eurjchem-2067	167	21	2021	2021	NUM
eurjchem-2067	167	22	–	–	PUNCT
eurjchem-2067	167	23	european	european	ADJ
eurjchem-2067	167	24	journal	journal	NOUN
eurjchem-2067	167	25	of	of	ADP
eurjchem-2067	167	26	chemistry	chemistry	NOUN
eurjchem-2067	167	27	–	–	PUNCT
eurjchem-2067	167	28	cc	cc	NOUN
eurjchem-2067	167	29	by	by	ADP
eurjchem-2067	167	30	nc	nc	PROPN
eurjchem-2067	167	31	–	–	PUNCT
eurjchem-2067	167	32	doi	doi	NOUN
eurjchem-2067	167	33	:	:	PUNCT
eurjchem-2067	167	34	10.5155	10.5155	NUM
eurjchem-2067	167	35	/	/	SYM
eurjchem-2067	167	36	eurjchem.12.1.69	eurjchem.12.1.69	NOUN
eurjchem-2067	167	37	-	-	PUNCT
eurjchem-2067	167	38	76.2067	76.2067	NUM
eurjchem-2067	167	39	(	(	PUNCT
eurjchem-2067	167	40	a	a	NOUN
eurjchem-2067	167	41	)	)	PUNCT
eurjchem-2067	167	42	(	(	PUNCT
eurjchem-2067	167	43	b	b	X
eurjchem-2067	167	44	)	)	PUNCT
eurjchem-2067	167	45	figure	figure	NOUN
eurjchem-2067	167	46	11	11	NUM
eurjchem-2067	167	47	.	.	PUNCT
eurjchem-2067	168	1	the	the	DET
eurjchem-2067	168	2	2d	2d	NUM
eurjchem-2067	168	3	scattered	scatter	VERB
eurjchem-2067	168	4	plot	plot	NOUN
eurjchem-2067	168	5	and	and	CCONJ
eurjchem-2067	168	6	rdg	rdg	VERB
eurjchem-2067	168	7	isosurface	isosurface	NOUN
eurjchem-2067	168	8	of	of	ADP
eurjchem-2067	168	9	the	the	DET
eurjchem-2067	168	10	title	title	NOUN
eurjchem-2067	168	11	molecule	molecule	NOUN
eurjchem-2067	168	12	.	.	PUNCT
eurjchem-2067	169	1	the	the	DET
eurjchem-2067	169	2	mep	mep	PROPN
eurjchem-2067	169	3	map	map	NOUN
eurjchem-2067	169	4	is	be	AUX
eurjchem-2067	169	5	useful	useful	ADJ
eurjchem-2067	169	6	to	to	PART
eurjchem-2067	169	7	understand	understand	VERB
eurjchem-2067	169	8	the	the	DET
eurjchem-2067	169	9	chemical	chemical	ADJ
eurjchem-2067	169	10	reactive	reactive	ADJ
eurjchem-2067	169	11	sites	site	NOUN
eurjchem-2067	169	12	in	in	ADP
eurjchem-2067	169	13	the	the	DET
eurjchem-2067	169	14	molecule	molecule	NOUN
eurjchem-2067	169	15	.	.	PUNCT
eurjchem-2067	170	1	the	the	DET
eurjchem-2067	170	2	red	red	ADJ
eurjchem-2067	170	3	and	and	CCONJ
eurjchem-2067	170	4	blue	blue	ADJ
eurjchem-2067	170	5	colored	colored	ADJ
eurjchem-2067	170	6	regions	region	NOUN
eurjchem-2067	170	7	on	on	ADP
eurjchem-2067	170	8	the	the	DET
eurjchem-2067	170	9	mep	mep	PROPN
eurjchem-2067	170	10	indicate	indicate	NOUN
eurjchem-2067	170	11	of	of	ADP
eurjchem-2067	170	12	electrophilic	electrophilic	ADJ
eurjchem-2067	170	13	sites	site	NOUN
eurjchem-2067	170	14	and	and	CCONJ
eurjchem-2067	170	15	nucleophilic	nucleophilic	ADJ
eurjchem-2067	170	16	sites	site	NOUN
eurjchem-2067	170	17	,	,	PUNCT
eurjchem-2067	170	18	respectively	respectively	ADV
eurjchem-2067	170	19	.	.	PUNCT
eurjchem-2067	171	1	figure	figure	NOUN
eurjchem-2067	171	2	10	10	NUM
eurjchem-2067	171	3	shows	show	VERB
eurjchem-2067	171	4	that	that	SCONJ
eurjchem-2067	171	5	the	the	DET
eurjchem-2067	171	6	electrophilic	electrophilic	ADJ
eurjchem-2067	171	7	sites	site	NOUN
eurjchem-2067	171	8	are	be	AUX
eurjchem-2067	171	9	around	around	ADP
eurjchem-2067	171	10	the	the	DET
eurjchem-2067	171	11	oxygen	oxygen	NOUN
eurjchem-2067	171	12	atoms	atom	NOUN
eurjchem-2067	171	13	while	while	SCONJ
eurjchem-2067	171	14	the	the	DET
eurjchem-2067	171	15	nucleophilic	nucleophilic	ADJ
eurjchem-2067	171	16	sites	site	NOUN
eurjchem-2067	171	17	are	be	AUX
eurjchem-2067	171	18	concentrated	concentrate	VERB
eurjchem-2067	171	19	over	over	ADP
eurjchem-2067	171	20	hydrogen	hydrogen	NOUN
eurjchem-2067	171	21	atoms	atom	NOUN
eurjchem-2067	171	22	.	.	PUNCT
eurjchem-2067	172	1	3.6	3.6	NUM
eurjchem-2067	172	2	.	.	PUNCT
eurjchem-2067	173	1	reduced	reduce	VERB
eurjchem-2067	173	2	density	density	NOUN
eurjchem-2067	173	3	gradient	gradient	NOUN
eurjchem-2067	173	4	(	(	PUNCT
eurjchem-2067	173	5	rdg	rdg	NOUN
eurjchem-2067	173	6	)	)	PUNCT
eurjchem-2067	173	7	reduced	reduce	VERB
eurjchem-2067	173	8	density	density	NOUN
eurjchem-2067	173	9	gradient	gradient	NOUN
eurjchem-2067	173	10	r(r	r(r	PROPN
eurjchem-2067	173	11	)	)	PUNCT
eurjchem-2067	173	12	is	be	AUX
eurjchem-2067	173	13	a	a	DET
eurjchem-2067	173	14	topological	topological	ADJ
eurjchem-2067	173	15	method	method	NOUN
eurjchem-2067	173	16	employed	employ	VERB
eurjchem-2067	173	17	to	to	PART
eurjchem-2067	173	18	visualize	visualize	VERB
eurjchem-2067	173	19	the	the	DET
eurjchem-2067	173	20	non	non	ADJ
eurjchem-2067	173	21	-	-	ADJ
eurjchem-2067	173	22	covalent	covalent	ADJ
eurjchem-2067	173	23	interactions	interaction	NOUN
eurjchem-2067	173	24	(	(	PUNCT
eurjchem-2067	173	25	ncis	ncis	NOUN
eurjchem-2067	173	26	)	)	PUNCT
eurjchem-2067	173	27	like	like	ADP
eurjchem-2067	173	28	hydrogen	hydrogen	NOUN
eurjchem-2067	173	29	bond	bond	NOUN
eurjchem-2067	173	30	interactions	interaction	NOUN
eurjchem-2067	173	31	,	,	PUNCT
eurjchem-2067	173	32	van	van	NOUN
eurjchem-2067	173	33	der	der	NOUN
eurjchem-2067	173	34	waals	waal	NOUN
eurjchem-2067	173	35	interaction	interaction	NOUN
eurjchem-2067	173	36	and	and	CCONJ
eurjchem-2067	173	37	steric	steric	ADJ
eurjchem-2067	173	38	effects	effect	NOUN
eurjchem-2067	173	39	in	in	ADP
eurjchem-2067	173	40	a	a	DET
eurjchem-2067	173	41	molecule	molecule	NOUN
eurjchem-2067	173	42	.	.	PUNCT
eurjchem-2067	174	1	it	it	PRON
eurjchem-2067	174	2	is	be	AUX
eurjchem-2067	174	3	a	a	DET
eurjchem-2067	174	4	function	function	NOUN
eurjchem-2067	174	5	of	of	ADP
eurjchem-2067	174	6	electron	electron	NOUN
eurjchem-2067	174	7	density	density	NOUN
eurjchem-2067	174	8	ρ(r	ρ(r	PROPN
eurjchem-2067	174	9	)	)	PUNCT
eurjchem-2067	174	10	and	and	CCONJ
eurjchem-2067	174	11	its	its	PRON
eurjchem-2067	174	12	gradient	gradient	NOUN
eurjchem-2067	174	13	.	.	PUNCT
eurjchem-2067	175	1	the	the	DET
eurjchem-2067	175	2	equation	equation	NOUN
eurjchem-2067	175	3	for	for	ADP
eurjchem-2067	175	4	(	(	PUNCT
eurjchem-2067	175	5	r(r	r(r	PROPN
eurjchem-2067	175	6	)	)	PUNCT
eurjchem-2067	175	7	)	)	PUNCT
eurjchem-2067	175	8	is	be	AUX
eurjchem-2067	175	9	given	give	VERB
eurjchem-2067	175	10	by	by	ADP
eurjchem-2067	175	11	,	,	PUNCT
eurjchem-2067	175	12	r(r	r(r	PROPN
eurjchem-2067	175	13	)	)	PUNCT
eurjchem-2067	175	14	=	=	PUNCT
eurjchem-2067	175	15	1	1	NUM
eurjchem-2067	175	16	2(3𝜋𝜋2)1	2(3𝜋𝜋2)1	NUM
eurjchem-2067	175	17	3⁄	3⁄	NUM
eurjchem-2067	175	18	|𝛻𝛻𝛻𝛻(𝑟𝑟)|	|𝛻𝛻𝛻𝛻(𝑟𝑟)|	NOUN
eurjchem-2067	175	19	𝛻𝛻(𝑟𝑟)4	𝛻𝛻(𝑟𝑟)4	PROPN
eurjchem-2067	175	20	3⁄	3⁄	NUM
eurjchem-2067	175	21	(	(	PUNCT
eurjchem-2067	175	22	3	3	NUM
eurjchem-2067	175	23	)	)	PUNCT
eurjchem-2067	175	24	rdg	rdg	NOUN
eurjchem-2067	175	25	is	be	AUX
eurjchem-2067	175	26	a	a	DET
eurjchem-2067	175	27	dimensionless	dimensionless	ADJ
eurjchem-2067	175	28	quantity	quantity	NOUN
eurjchem-2067	175	29	of	of	ADP
eurjchem-2067	175	30	the	the	DET
eurjchem-2067	175	31	inhomogeneity	inhomogeneity	NOUN
eurjchem-2067	175	32	of	of	ADP
eurjchem-2067	175	33	the	the	DET
eurjchem-2067	175	34	density	density	NOUN
eurjchem-2067	175	35	at	at	ADP
eurjchem-2067	175	36	a	a	DET
eurjchem-2067	175	37	point	point	NOUN
eurjchem-2067	175	38	of	of	ADP
eurjchem-2067	175	39	space	space	NOUN
eurjchem-2067	175	40	r	r	NOUN
eurjchem-2067	175	41	[	[	X
eurjchem-2067	175	42	30	30	NUM
eurjchem-2067	175	43	]	]	PUNCT
eurjchem-2067	175	44	.	.	PUNCT
eurjchem-2067	176	1	to	to	PART
eurjchem-2067	176	2	analyze	analyze	VERB
eurjchem-2067	176	3	the	the	DET
eurjchem-2067	176	4	reduced	reduce	VERB
eurjchem-2067	176	5	density	density	NOUN
eurjchem-2067	176	6	gradient	gradient	NOUN
eurjchem-2067	176	7	,	,	PUNCT
eurjchem-2067	176	8	dft	dft	PROPN
eurjchem-2067	176	9	calculations	calculation	NOUN
eurjchem-2067	176	10	were	be	AUX
eurjchem-2067	176	11	performed	perform	VERB
eurjchem-2067	176	12	using	use	VERB
eurjchem-2067	176	13	gamess	gamess	PROPN
eurjchem-2067	176	14	software	software	NOUN
eurjchem-2067	177	1	[	[	X
eurjchem-2067	177	2	24	24	NUM
eurjchem-2067	177	3	]	]	PUNCT
eurjchem-2067	177	4	with	with	ADP
eurjchem-2067	177	5	b3lyp/6	b3lyp/6	PROPN
eurjchem-2067	177	6	-	-	NOUN
eurjchem-2067	177	7	31g(d	31g(d	PROPN
eurjchem-2067	177	8	,	,	PUNCT
eurjchem-2067	177	9	p	p	NOUN
eurjchem-2067	177	10	)	)	PUNCT
eurjchem-2067	177	11	basis	basis	NOUN
eurjchem-2067	177	12	set	set	NOUN
eurjchem-2067	177	13	.	.	PUNCT
eurjchem-2067	178	1	the	the	DET
eurjchem-2067	178	2	rdg	rdg	NOUN
eurjchem-2067	178	3	plot	plot	NOUN
eurjchem-2067	178	4	was	be	AUX
eurjchem-2067	178	5	generated	generate	VERB
eurjchem-2067	178	6	by	by	ADP
eurjchem-2067	178	7	multiwfn	multiwfn	PROPN
eurjchem-2067	178	8	[	[	X
eurjchem-2067	178	9	29	29	NUM
eurjchem-2067	178	10	]	]	PUNCT
eurjchem-2067	178	11	and	and	CCONJ
eurjchem-2067	178	12	vmd	vmd	X
eurjchem-2067	179	1	[	[	X
eurjchem-2067	179	2	31	31	NUM
eurjchem-2067	179	3	]	]	PUNCT
eurjchem-2067	179	4	software	software	NOUN
eurjchem-2067	179	5	.	.	PUNCT
eurjchem-2067	180	1	the	the	DET
eurjchem-2067	180	2	rdg	rdg	NOUN
eurjchem-2067	180	3	was	be	AUX
eurjchem-2067	180	4	analyzed	analyze	VERB
eurjchem-2067	180	5	by	by	ADP
eurjchem-2067	180	6	plotting	plot	VERB
eurjchem-2067	180	7	r(r	r(r	NOUN
eurjchem-2067	180	8	)	)	PUNCT
eurjchem-2067	180	9	against	against	ADP
eurjchem-2067	180	10	the	the	DET
eurjchem-2067	180	11	product	product	NOUN
eurjchem-2067	180	12	of	of	ADP
eurjchem-2067	180	13	the	the	DET
eurjchem-2067	180	14	density	density	NOUN
eurjchem-2067	180	15	and	and	CCONJ
eurjchem-2067	180	16	the	the	DET
eurjchem-2067	180	17	sign	sign	NOUN
eurjchem-2067	180	18	of	of	ADP
eurjchem-2067	180	19	the	the	DET
eurjchem-2067	180	20	second	second	ADJ
eurjchem-2067	180	21	eigenvalue	eigenvalue	NOUN
eurjchem-2067	180	22	of	of	ADP
eurjchem-2067	180	23	the	the	DET
eurjchem-2067	180	24	electron	electron	NOUN
eurjchem-2067	180	25	density	density	NOUN
eurjchem-2067	180	26	of	of	ADP
eurjchem-2067	180	27	hessian	hessian	ADJ
eurjchem-2067	180	28	matrix	matrix	NOUN
eurjchem-2067	180	29	(	(	PUNCT
eurjchem-2067	180	30	sign(λ2)ρ(r	sign(λ2)ρ(r	PROPN
eurjchem-2067	180	31	)	)	PUNCT
eurjchem-2067	180	32	)	)	PUNCT
eurjchem-2067	180	33	.	.	PUNCT
eurjchem-2067	181	1	the	the	DET
eurjchem-2067	181	2	2d	2d	NUM
eurjchem-2067	181	3	scattered	scatter	VERB
eurjchem-2067	181	4	plot	plot	NOUN
eurjchem-2067	181	5	and	and	CCONJ
eurjchem-2067	181	6	the	the	DET
eurjchem-2067	181	7	corresponding	correspond	VERB
eurjchem-2067	181	8	rdg	rdg	NOUN
eurjchem-2067	181	9	isosurface	isosurface	NOUN
eurjchem-2067	181	10	of	of	ADP
eurjchem-2067	181	11	the	the	DET
eurjchem-2067	181	12	title	title	NOUN
eurjchem-2067	181	13	molecule	molecule	NOUN
eurjchem-2067	181	14	is	be	AUX
eurjchem-2067	181	15	shown	show	VERB
eurjchem-2067	181	16	in	in	ADP
eurjchem-2067	181	17	figure	figure	NOUN
eurjchem-2067	181	18	11	11	NUM
eurjchem-2067	181	19	.	.	PUNCT
eurjchem-2067	182	1	the	the	DET
eurjchem-2067	182	2	region	region	NOUN
eurjchem-2067	182	3	at	at	ADP
eurjchem-2067	182	4	the	the	DET
eurjchem-2067	182	5	center	center	NOUN
eurjchem-2067	182	6	of	of	ADP
eurjchem-2067	182	7	the	the	DET
eurjchem-2067	182	8	ring	ring	NOUN
eurjchem-2067	182	9	with	with	ADP
eurjchem-2067	182	10	red	red	ADJ
eurjchem-2067	182	11	color	color	NOUN
eurjchem-2067	182	12	shows	show	VERB
eurjchem-2067	182	13	a	a	DET
eurjchem-2067	182	14	strong	strong	ADJ
eurjchem-2067	182	15	steric	steric	ADJ
eurjchem-2067	182	16	effect	effect	NOUN
eurjchem-2067	182	17	,	,	PUNCT
eurjchem-2067	182	18	and	and	CCONJ
eurjchem-2067	182	19	the	the	DET
eurjchem-2067	182	20	green	green	ADJ
eurjchem-2067	182	21	color	color	NOUN
eurjchem-2067	182	22	indicates	indicate	VERB
eurjchem-2067	182	23	the	the	DET
eurjchem-2067	182	24	van	van	PROPN
eurjchem-2067	182	25	der	der	NOUN
eurjchem-2067	182	26	waals	waal	NOUN
eurjchem-2067	182	27	interaction	interaction	NOUN
eurjchem-2067	182	28	(	(	PUNCT
eurjchem-2067	182	29	figure	figure	NOUN
eurjchem-2067	182	30	11b	11b	NOUN
eurjchem-2067	182	31	)	)	PUNCT
eurjchem-2067	182	32	.	.	PUNCT
eurjchem-2067	183	1	the	the	DET
eurjchem-2067	183	2	sign	sign	NOUN
eurjchem-2067	183	3	of	of	ADP
eurjchem-2067	183	4	λ2	λ2	NOUN
eurjchem-2067	183	5	is	be	AUX
eurjchem-2067	183	6	used	use	VERB
eurjchem-2067	183	7	to	to	PART
eurjchem-2067	183	8	distinguish	distinguish	VERB
eurjchem-2067	183	9	between	between	ADP
eurjchem-2067	183	10	the	the	DET
eurjchem-2067	183	11	regions	region	NOUN
eurjchem-2067	183	12	of	of	ADP
eurjchem-2067	183	13	strong	strong	ADJ
eurjchem-2067	183	14	attraction	attraction	NOUN
eurjchem-2067	183	15	(	(	PUNCT
eurjchem-2067	183	16	λ2	λ2	NOUN
eurjchem-2067	183	17	<	<	X
eurjchem-2067	183	18	0	0	NUM
eurjchem-2067	183	19	)	)	PUNCT
eurjchem-2067	183	20	and	and	CCONJ
eurjchem-2067	183	21	strong	strong	ADJ
eurjchem-2067	183	22	repulsion	repulsion	NOUN
eurjchem-2067	183	23	(	(	PUNCT
eurjchem-2067	183	24	λ2	λ2	NOUN
eurjchem-2067	183	25	>	>	X
eurjchem-2067	183	26	0	0	NUM
eurjchem-2067	183	27	)	)	PUNCT
eurjchem-2067	183	28	.	.	PUNCT
eurjchem-2067	184	1	figure	figure	NOUN
eurjchem-2067	184	2	11b	11b	NOUN
eurjchem-2067	184	3	shows	show	VERB
eurjchem-2067	184	4	the	the	DET
eurjchem-2067	184	5	van	van	PROPN
eurjchem-2067	184	6	der	der	NOUN
eurjchem-2067	184	7	waals	waal	NOUN
eurjchem-2067	184	8	interaction	interaction	NOUN
eurjchem-2067	184	9	between	between	ADP
eurjchem-2067	184	10	h14	h14	NOUN
eurjchem-2067	184	11	of	of	ADP
eurjchem-2067	184	12	the	the	DET
eurjchem-2067	184	13	naphthalene	naphthalene	NOUN
eurjchem-2067	184	14	ring	ring	NOUN
eurjchem-2067	184	15	and	and	CCONJ
eurjchem-2067	184	16	o3	o3	PROPN
eurjchem-2067	184	17	atom	atom	NOUN
eurjchem-2067	184	18	.	.	PUNCT
eurjchem-2067	185	1	a	a	DET
eurjchem-2067	185	2	strong	strong	ADJ
eurjchem-2067	185	3	hydrogen	hydrogen	NOUN
eurjchem-2067	185	4	bond	bond	NOUN
eurjchem-2067	185	5	is	be	AUX
eurjchem-2067	185	6	absent	absent	ADJ
eurjchem-2067	185	7	in	in	ADP
eurjchem-2067	185	8	the	the	DET
eurjchem-2067	185	9	molecule	molecule	NOUN
eurjchem-2067	185	10	.	.	PUNCT
eurjchem-2067	186	1	the	the	DET
eurjchem-2067	186	2	right	right	ADJ
eurjchem-2067	186	3	peak	peak	NOUN
eurjchem-2067	186	4	(	(	PUNCT
eurjchem-2067	186	5	figure	figure	NOUN
eurjchem-2067	186	6	11a	11a	NOUN
eurjchem-2067	186	7	)	)	PUNCT
eurjchem-2067	186	8	with	with	ADP
eurjchem-2067	186	9	red	red	ADJ
eurjchem-2067	186	10	color	color	NOUN
eurjchem-2067	186	11	corresponds	correspond	VERB
eurjchem-2067	186	12	to	to	ADP
eurjchem-2067	186	13	the	the	DET
eurjchem-2067	186	14	stearic	stearic	ADJ
eurjchem-2067	186	15	repulsion	repulsion	NOUN
eurjchem-2067	186	16	at	at	ADP
eurjchem-2067	186	17	the	the	DET
eurjchem-2067	186	18	center	center	NOUN
eurjchem-2067	186	19	of	of	ADP
eurjchem-2067	186	20	the	the	DET
eurjchem-2067	186	21	naphthalene	naphthalene	NOUN
eurjchem-2067	186	22	ring	ring	NOUN
eurjchem-2067	186	23	with	with	ADP
eurjchem-2067	186	24	the	the	DET
eurjchem-2067	186	25	sign(λ2)ρ(r	sign(λ2)ρ(r	PROPN
eurjchem-2067	186	26	)	)	PUNCT
eurjchem-2067	186	27	value	value	NOUN
eurjchem-2067	186	28	in	in	ADP
eurjchem-2067	186	29	the	the	DET
eurjchem-2067	186	30	range	range	NOUN
eurjchem-2067	186	31	0.010.02	0.010.02	PROPN
eurjchem-2067	186	32	a.u	a.u	PROPN
eurjchem-2067	186	33	.	.	PUNCT
eurjchem-2067	187	1	the	the	DET
eurjchem-2067	187	2	van	van	PROPN
eurjchem-2067	187	3	der	der	NOUN
eurjchem-2067	187	4	waals	waal	NOUN
eurjchem-2067	187	5	interactions	interaction	NOUN
eurjchem-2067	187	6	and	and	CCONJ
eurjchem-2067	187	7	steric	steric	ADJ
eurjchem-2067	187	8	clash	clash	NOUN
eurjchem-2067	187	9	are	be	AUX
eurjchem-2067	187	10	represented	represent	VERB
eurjchem-2067	187	11	by	by	ADP
eurjchem-2067	187	12	the	the	DET
eurjchem-2067	187	13	isosurface	isosurface	NOUN
eurjchem-2067	187	14	value	value	NOUN
eurjchem-2067	187	15	0.6	0.6	NUM
eurjchem-2067	187	16	.	.	PUNCT
eurjchem-2067	188	1	4	4	X
eurjchem-2067	188	2	.	.	X
eurjchem-2067	188	3	conclusion	conclusion	NOUN
eurjchem-2067	188	4	the	the	DET
eurjchem-2067	188	5	synthesized	synthesize	VERB
eurjchem-2067	188	6	compound	compound	NOUN
eurjchem-2067	188	7	crystallizes	crystallize	NOUN
eurjchem-2067	188	8	in	in	ADP
eurjchem-2067	188	9	the	the	DET
eurjchem-2067	188	10	triclinic	triclinic	ADJ
eurjchem-2067	188	11	crystal	crystal	NOUN
eurjchem-2067	188	12	system	system	NOUN
eurjchem-2067	188	13	with	with	ADP
eurjchem-2067	188	14	the	the	DET
eurjchem-2067	188	15	space	space	NOUN
eurjchem-2067	188	16	group	group	NOUN
eurjchem-2067	188	17	p-1	p-1	NOUN
eurjchem-2067	188	18	.	.	PUNCT
eurjchem-2067	189	1	the	the	DET
eurjchem-2067	189	2	structure	structure	NOUN
eurjchem-2067	189	3	was	be	AUX
eurjchem-2067	189	4	reinforced	reinforce	VERB
eurjchem-2067	189	5	by	by	ADP
eurjchem-2067	189	6	c	c	PROPN
eurjchem-2067	189	7	-	-	PUNCT
eurjchem-2067	189	8	h···o	h···o	PROPN
eurjchem-2067	189	9	interaction	interaction	NOUN
eurjchem-2067	189	10	.	.	PUNCT
eurjchem-2067	190	1	the	the	DET
eurjchem-2067	190	2	hirshfeld	hirshfeld	PROPN
eurjchem-2067	190	3	surface	surface	NOUN
eurjchem-2067	190	4	analysis	analysis	NOUN
eurjchem-2067	190	5	confirmed	confirm	VERB
eurjchem-2067	190	6	the	the	DET
eurjchem-2067	190	7	presence	presence	NOUN
eurjchem-2067	190	8	of	of	ADP
eurjchem-2067	190	9	intermolecular	intermolecular	ADJ
eurjchem-2067	190	10	interactions	interaction	NOUN
eurjchem-2067	190	11	.	.	PUNCT
eurjchem-2067	191	1	the	the	DET
eurjchem-2067	191	2	fingerprint	fingerprint	NOUN
eurjchem-2067	191	3	plots	plot	NOUN
eurjchem-2067	191	4	show	show	VERB
eurjchem-2067	191	5	the	the	DET
eurjchem-2067	191	6	major	major	ADJ
eurjchem-2067	191	7	contribution	contribution	NOUN
eurjchem-2067	191	8	to	to	ADP
eurjchem-2067	191	9	the	the	DET
eurjchem-2067	191	10	total	total	ADJ
eurjchem-2067	191	11	molecular	molecular	ADJ
eurjchem-2067	191	12	surface	surface	NOUN
eurjchem-2067	191	13	was	be	AUX
eurjchem-2067	191	14	from	from	ADP
eurjchem-2067	191	15	h···h	h···h	PROPN
eurjchem-2067	191	16	contacts	contact	NOUN
eurjchem-2067	191	17	(	(	PUNCT
eurjchem-2067	191	18	51	51	NUM
eurjchem-2067	191	19	%	%	NOUN
eurjchem-2067	191	20	)	)	PUNCT
eurjchem-2067	191	21	.	.	PUNCT
eurjchem-2067	192	1	the	the	DET
eurjchem-2067	192	2	calculated	calculate	VERB
eurjchem-2067	192	3	energy	energy	NOUN
eurjchem-2067	192	4	difference	difference	NOUN
eurjchem-2067	192	5	between	between	ADP
eurjchem-2067	192	6	the	the	DET
eurjchem-2067	192	7	frontier	frontier	NOUN
eurjchem-2067	192	8	molecular	molecular	ADJ
eurjchem-2067	192	9	orbitals	orbital	NOUN
eurjchem-2067	192	10	gives	give	VERB
eurjchem-2067	192	11	an	an	DET
eurjchem-2067	192	12	energy	energy	NOUN
eurjchem-2067	192	13	gap	gap	NOUN
eurjchem-2067	192	14	of	of	ADP
eurjchem-2067	192	15	5.486	5.486	NUM
eurjchem-2067	192	16	ev	ev	NUM
eurjchem-2067	192	17	which	which	PRON
eurjchem-2067	192	18	shows	show	VERB
eurjchem-2067	192	19	the	the	DET
eurjchem-2067	192	20	kinetic	kinetic	ADJ
eurjchem-2067	192	21	stability	stability	NOUN
eurjchem-2067	192	22	of	of	ADP
eurjchem-2067	192	23	the	the	DET
eurjchem-2067	192	24	molecule	molecule	NOUN
eurjchem-2067	192	25	.	.	PUNCT
eurjchem-2067	193	1	the	the	DET
eurjchem-2067	193	2	mep	mep	PROPN
eurjchem-2067	193	3	map	map	NOUN
eurjchem-2067	193	4	shows	show	VERB
eurjchem-2067	193	5	the	the	DET
eurjchem-2067	193	6	chemical	chemical	ADJ
eurjchem-2067	193	7	reactive	reactive	ADJ
eurjchem-2067	193	8	sites	site	NOUN
eurjchem-2067	193	9	of	of	ADP
eurjchem-2067	193	10	the	the	DET
eurjchem-2067	193	11	molecule	molecule	NOUN
eurjchem-2067	193	12	are	be	AUX
eurjchem-2067	193	13	around	around	ADP
eurjchem-2067	193	14	the	the	DET
eurjchem-2067	193	15	oxygen	oxygen	NOUN
eurjchem-2067	193	16	(	(	PUNCT
eurjchem-2067	193	17	electronegative	electronegative	ADJ
eurjchem-2067	193	18	)	)	PUNCT
eurjchem-2067	193	19	and	and	CCONJ
eurjchem-2067	193	20	hydrogen	hydrogen	NOUN
eurjchem-2067	193	21	(	(	PUNCT
eurjchem-2067	193	22	electropositive	electropositive	ADJ
eurjchem-2067	193	23	)	)	PUNCT
eurjchem-2067	193	24	atoms	atom	NOUN
eurjchem-2067	193	25	.	.	PUNCT
eurjchem-2067	194	1	the	the	DET
eurjchem-2067	194	2	rdg	rdg	NOUN
eurjchem-2067	194	3	analysis	analysis	NOUN
eurjchem-2067	194	4	revealed	reveal	VERB
eurjchem-2067	194	5	the	the	DET
eurjchem-2067	194	6	presence	presence	NOUN
eurjchem-2067	194	7	of	of	ADP
eurjchem-2067	194	8	van	van	PROPN
eurjchem-2067	194	9	der	der	NOUN
eurjchem-2067	194	10	waals	waal	NOUN
eurjchem-2067	194	11	interactions	interaction	NOUN
eurjchem-2067	194	12	and	and	CCONJ
eurjchem-2067	194	13	steric	steric	ADJ
eurjchem-2067	194	14	clashes	clash	NOUN
eurjchem-2067	194	15	in	in	ADP
eurjchem-2067	194	16	the	the	DET
eurjchem-2067	194	17	molecule	molecule	NOUN
eurjchem-2067	194	18	.	.	PUNCT
eurjchem-2067	195	1	acknowledgments	acknowledgment	NOUN
eurjchem-2067	195	2	prabhuswamy	prabhuswamy	ADJ
eurjchem-2067	195	3	akhileshwari	akhileshwari	NOUN
eurjchem-2067	195	4	thanks	thanks	PROPN
eurjchem-2067	195	5	department	department	PROPN
eurjchem-2067	195	6	of	of	ADP
eurjchem-2067	195	7	science	science	NOUN
eurjchem-2067	195	8	and	and	CCONJ
eurjchem-2067	195	9	technology	technology	NOUN
eurjchem-2067	195	10	karnataka	karnataka	PROPN
eurjchem-2067	195	11	science	science	PROPN
eurjchem-2067	195	12	and	and	CCONJ
eurjchem-2067	195	13	technology	technology	NOUN
eurjchem-2067	195	14	promotion	promotion	NOUN
eurjchem-2067	195	15	society	society	NOUN
eurjchem-2067	195	16	(	(	PUNCT
eurjchem-2067	195	17	dst	dst	NOUN
eurjchem-2067	195	18	-	-	PUNCT
eurjchem-2067	195	19	ksteps	kstep	NOUN
eurjchem-2067	195	20	)	)	PUNCT
eurjchem-2067	195	21	,	,	PUNCT
eurjchem-2067	195	22	government	government	NOUN
eurjchem-2067	195	23	of	of	ADP
eurjchem-2067	195	24	karnataka	karnataka	PROPN
eurjchem-2067	195	25	,	,	PUNCT
eurjchem-2067	195	26	for	for	ADP
eurjchem-2067	195	27	providing	provide	VERB
eurjchem-2067	195	28	the	the	DET
eurjchem-2067	195	29	fellowship	fellowship	NOUN
eurjchem-2067	195	30	.	.	PUNCT
eurjchem-2067	196	1	supporting	support	VERB
eurjchem-2067	196	2	information	information	NOUN
eurjchem-2067	196	3	ccdc-2054693	ccdc-2054693	NOUN
eurjchem-2067	196	4	contains	contain	VERB
eurjchem-2067	196	5	the	the	DET
eurjchem-2067	196	6	supplementary	supplementary	ADJ
eurjchem-2067	196	7	crystallographic	crystallographic	ADJ
eurjchem-2067	196	8	data	datum	NOUN
eurjchem-2067	196	9	for	for	ADP
eurjchem-2067	196	10	this	this	DET
eurjchem-2067	196	11	paper	paper	NOUN
eurjchem-2067	196	12	.	.	PUNCT
eurjchem-2067	197	1	these	these	DET
eurjchem-2067	197	2	data	datum	NOUN
eurjchem-2067	197	3	can	can	AUX
eurjchem-2067	197	4	be	be	AUX
eurjchem-2067	197	5	obtained	obtain	VERB
eurjchem-2067	197	6	free	free	ADJ
eurjchem-2067	197	7	of	of	ADP
eurjchem-2067	197	8	charge	charge	NOUN
eurjchem-2067	197	9	via	via	ADP
eurjchem-2067	197	10	https://www.ccdc.cam.ac.uk/structures/	https://www.ccdc.cam.ac.uk/structures/	PROPN
eurjchem-2067	197	11	or	or	CCONJ
eurjchem-2067	197	12	by	by	ADP
eurjchem-2067	197	13	emailing	email	VERB
eurjchem-2067	197	14	data_request@ccdc.cam.ac.uk	data_request@ccdc.cam.ac.uk	PROPN
eurjchem-2067	197	15	or	or	CCONJ
eurjchem-2067	197	16	by	by	ADP
eurjchem-2067	197	17	contacting	contact	VERB
eurjchem-2067	197	18	the	the	DET
eurjchem-2067	197	19	cambridge	cambridge	PROPN
eurjchem-2067	197	20	crystallographic	crystallographic	PROPN
eurjchem-2067	197	21	data	data	PROPN
eurjchem-2067	197	22	centre	centre	NOUN
eurjchem-2067	197	23	,	,	PUNCT
eurjchem-2067	197	24	12	12	NUM
eurjchem-2067	197	25	union	union	NOUN
eurjchem-2067	197	26	road	road	NOUN
eurjchem-2067	197	27	,	,	PUNCT
eurjchem-2067	197	28	cambridge	cambridge	PROPN
eurjchem-2067	197	29	cb2	cb2	PROPN
eurjchem-2067	197	30	1ez	1ez	PROPN
eurjchem-2067	197	31	,	,	PUNCT
eurjchem-2067	197	32	uk	uk	PROPN
eurjchem-2067	197	33	;	;	PUNCT
eurjchem-2067	197	34	fax	fax	NOUN
eurjchem-2067	197	35	:	:	PUNCT
eurjchem-2067	197	36	+44(0)1223	+44(0)1223	PROPN
eurjchem-2067	197	37	-	-	PUNCT
eurjchem-2067	197	38	336033	336033	NUM
eurjchem-2067	197	39	.	.	PUNCT
eurjchem-2067	198	1	https://www.ccdc.cam.ac.uk/structures/	https://www.ccdc.cam.ac.uk/structures/	PROPN
eurjchem-2067	198	2	mailto:data_request@ccdc.cam.ac.uk	mailto:data_request@ccdc.cam.ac.uk	PROPN
eurjchem-2067	198	3	76	76	NUM
eurjchem-2067	198	4	jayappa	jayappa	NOUN
eurjchem-2067	198	5	et	et	PROPN
eurjchem-2067	198	6	al	al	PROPN
eurjchem-2067	198	7	.	.	PUNCT
eurjchem-2067	198	8	/	/	SYM
eurjchem-2067	198	9	european	european	PROPN
eurjchem-2067	198	10	journal	journal	PROPN
eurjchem-2067	198	11	of	of	ADP
eurjchem-2067	198	12	chemistry	chemistry	NOUN
eurjchem-2067	198	13	12	12	NUM
eurjchem-2067	198	14	(	(	PUNCT
eurjchem-2067	198	15	1	1	NUM
eurjchem-2067	198	16	)	)	PUNCT
eurjchem-2067	198	17	(	(	PUNCT
eurjchem-2067	198	18	2021	2021	NUM
eurjchem-2067	198	19	)	)	PUNCT
eurjchem-2067	198	20	69	69	NUM
eurjchem-2067	198	21	-	-	SYM
eurjchem-2067	198	22	76	76	NUM
eurjchem-2067	198	23	2021	2021	NUM
eurjchem-2067	198	24	–	–	PUNCT
eurjchem-2067	198	25	european	european	ADJ
eurjchem-2067	198	26	journal	journal	NOUN
eurjchem-2067	198	27	of	of	ADP
eurjchem-2067	198	28	chemistry	chemistry	NOUN
eurjchem-2067	198	29	–	–	PUNCT
eurjchem-2067	198	30	cc	cc	NOUN
eurjchem-2067	198	31	by	by	ADP
eurjchem-2067	198	32	nc	nc	PROPN
eurjchem-2067	198	33	–	–	PUNCT
eurjchem-2067	198	34	doi	doi	NOUN
eurjchem-2067	198	35	:	:	PUNCT
eurjchem-2067	198	36	10.5155	10.5155	NUM
eurjchem-2067	198	37	/	/	SYM
eurjchem-2067	198	38	eurjchem.12.1.69	eurjchem.12.1.69	NOUN
eurjchem-2067	198	39	-	-	PUNCT
eurjchem-2067	198	40	76.2067	76.2067	NUM
eurjchem-2067	198	41	disclosure	disclosure	NOUN
eurjchem-2067	198	42	statement	statement	NOUN
eurjchem-2067	198	43	conflict	conflict	NOUN
eurjchem-2067	198	44	of	of	ADP
eurjchem-2067	198	45	interests	interest	NOUN
eurjchem-2067	198	46	:	:	PUNCT
eurjchem-2067	198	47	the	the	DET
eurjchem-2067	198	48	authors	author	NOUN
eurjchem-2067	198	49	declare	declare	VERB
eurjchem-2067	198	50	that	that	SCONJ
eurjchem-2067	198	51	they	they	PRON
eurjchem-2067	198	52	have	have	VERB
eurjchem-2067	198	53	no	no	DET
eurjchem-2067	198	54	conflict	conflict	NOUN
eurjchem-2067	198	55	of	of	ADP
eurjchem-2067	198	56	interest	interest	NOUN
eurjchem-2067	198	57	.	.	PUNCT
eurjchem-2067	199	1	author	author	NOUN
eurjchem-2067	199	2	contributions	contribution	NOUN
eurjchem-2067	199	3	:	:	PUNCT
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eurjchem-2067	199	11	.	.	PUNCT
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eurjchem-2067	200	2	approval	approval	NOUN
eurjchem-2067	200	3	:	:	PUNCT
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eurjchem-2067	202	3	:	:	PUNCT
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eurjchem-2067	203	14	lohith	lohith	PROPN
eurjchem-2067	203	15	tumakuru	tumakuru	PROPN
eurjchem-2067	203	16	nagarajappa	nagarajappa	PROPN
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eurjchem-2067	203	25	dogganal	dogganal	PROPN
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eurjchem-2067	203	30	1	1	NUM
eurjchem-2067	203	31	]	]	PUNCT
eurjchem-2067	203	32	.	.	PUNCT
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eurjchem-2067	204	2	,	,	PUNCT
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eurjchem-2067	204	4	;	;	PUNCT
eurjchem-2067	204	5	reddy	reddy	PROPN
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eurjchem-2067	204	8	s.	s.	PROPN
eurjchem-2067	204	9	;	;	PUNCT
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eurjchem-2067	204	13	;	;	PUNCT
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eurjchem-2067	204	15	,	,	PUNCT
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eurjchem-2067	204	18	;	;	PUNCT
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eurjchem-2067	204	24	.	.	PUNCT
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eurjchem-2067	206	2	.	.	PUNCT
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eurjchem-2067	207	2	,	,	PUNCT
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eurjchem-2067	207	5	2	2	NUM
eurjchem-2067	207	6	)	)	PUNCT
eurjchem-2067	207	7	,	,	PUNCT
eurjchem-2067	207	8	433–458	433–458	NUM
eurjchem-2067	207	9	.	.	PUNCT
eurjchem-2067	208	1	[	[	X
eurjchem-2067	208	2	2	2	NUM
eurjchem-2067	208	3	]	]	PUNCT
eurjchem-2067	208	4	.	.	PUNCT
eurjchem-2067	208	5	budhiraja	budhiraja	PROPN
eurjchem-2067	208	6	,	,	PUNCT
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eurjchem-2067	208	8	;	;	PUNCT
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eurjchem-2067	208	12	;	;	PUNCT
eurjchem-2067	208	13	kaur	kaur	PROPN
eurjchem-2067	208	14	,	,	PUNCT
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eurjchem-2067	208	16	;	;	PUNCT
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eurjchem-2067	208	20	;	;	PUNCT
eurjchem-2067	208	21	garg	garg	NOUN
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eurjchem-2067	208	24	;	;	PUNCT
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eurjchem-2067	208	28	;	;	PUNCT
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eurjchem-2067	208	30	,	,	PUNCT
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eurjchem-2067	208	32	;	;	PUNCT
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eurjchem-2067	208	34	,	,	PUNCT
eurjchem-2067	208	35	o.	o.	PROPN
eurjchem-2067	208	36	p.	p.	PROPN
eurjchem-2067	208	37	;	;	PUNCT
eurjchem-2067	208	38	dhar	dhar	PROPN
eurjchem-2067	208	39	,	,	PUNCT
eurjchem-2067	208	40	k.	k.	PROPN
eurjchem-2067	208	41	l.	l.	PROPN
eurjchem-2067	208	42	med	med	PROPN
eurjchem-2067	208	43	.	.	PUNCT
eurjchem-2067	208	44	chem	chem	PROPN
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eurjchem-2067	209	2	.	.	PROPN
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eurjchem-2067	210	2	,	,	PUNCT
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eurjchem-2067	210	4	(	(	PUNCT
eurjchem-2067	210	5	9	9	NUM
eurjchem-2067	210	6	)	)	PUNCT
eurjchem-2067	210	7	,	,	PUNCT
eurjchem-2067	210	8	2133	2133	NUM
eurjchem-2067	210	9	–	–	PUNCT
eurjchem-2067	210	10	2140	2140	NUM
eurjchem-2067	210	11	.	.	PUNCT
eurjchem-2067	211	1	[	[	X
eurjchem-2067	211	2	3	3	NUM
eurjchem-2067	211	3	]	]	PUNCT
eurjchem-2067	211	4	.	.	PUNCT
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eurjchem-2067	212	2	,	,	PUNCT
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eurjchem-2067	212	6	,	,	PUNCT
eurjchem-2067	212	7	k.	k.	PROPN
eurjchem-2067	212	8	;	;	PUNCT
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eurjchem-2067	212	10	,	,	PUNCT
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eurjchem-2067	212	12	;	;	PUNCT
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eurjchem-2067	212	14	,	,	PUNCT
eurjchem-2067	212	15	y.	y.	PROPN
eurjchem-2067	212	16	;	;	PUNCT
eurjchem-2067	212	17	kimura	kimura	NOUN
eurjchem-2067	212	18	,	,	PUNCT
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eurjchem-2067	212	20	;	;	PUNCT
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eurjchem-2067	212	22	,	,	PUNCT
eurjchem-2067	212	23	t.	t.	PROPN
eurjchem-2067	212	24	;	;	PUNCT
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eurjchem-2067	212	26	,	,	PUNCT
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eurjchem-2067	212	28	;	;	PUNCT
eurjchem-2067	212	29	sakuma	sakuma	PROPN
eurjchem-2067	212	30	,	,	PUNCT
eurjchem-2067	212	31	a.	a.	NOUN
eurjchem-2067	212	32	;	;	PUNCT
eurjchem-2067	212	33	kohno	kohno	PROPN
eurjchem-2067	212	34	,	,	PUNCT
eurjchem-2067	212	35	h.	h.	PROPN
eurjchem-2067	212	36	;	;	PUNCT
eurjchem-2067	212	37	suzuki	suzuki	PROPN
eurjchem-2067	212	38	,	,	PUNCT
eurjchem-2067	212	39	t.	t.	PROPN
eurjchem-2067	212	40	biol	biol	PROPN
eurjchem-2067	212	41	.	.	PUNCT
eurjchem-2067	213	1	pharm	pharm	PROPN
eurjchem-2067	213	2	.	.	PUNCT
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eurjchem-2067	214	2	.	.	PUNCT
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eurjchem-2067	215	2	,	,	PUNCT
eurjchem-2067	215	3	30	30	NUM
eurjchem-2067	215	4	(	(	PUNCT
eurjchem-2067	215	5	10	10	NUM
eurjchem-2067	215	6	)	)	PUNCT
eurjchem-2067	215	7	,	,	PUNCT
eurjchem-2067	215	8	1878–1883	1878–1883	NUM
eurjchem-2067	215	9	.	.	PUNCT
eurjchem-2067	216	1	[	[	X
eurjchem-2067	216	2	4	4	NUM
eurjchem-2067	216	3	]	]	PUNCT
eurjchem-2067	216	4	.	.	PUNCT
eurjchem-2067	217	1	chen	chen	PROPN
eurjchem-2067	217	2	,	,	PUNCT
eurjchem-2067	217	3	j.	j.	PROPN
eurjchem-2067	217	4	j.	j.	PROPN
eurjchem-2067	217	5	;	;	PUNCT
eurjchem-2067	217	6	cheng	cheng	PROPN
eurjchem-2067	217	7	,	,	PUNCT
eurjchem-2067	217	8	m.	m.	PROPN
eurjchem-2067	217	9	j.	j.	PROPN
eurjchem-2067	217	10	;	;	PUNCT
eurjchem-2067	217	11	shu	shu	PROPN
eurjchem-2067	217	12	,	,	PUNCT
eurjchem-2067	217	13	c.	c.	PROPN
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eurjchem-2067	217	15	;	;	PUNCT
eurjchem-2067	217	16	sung	sung	PROPN
eurjchem-2067	217	17	,	,	PUNCT
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eurjchem-2067	217	22	,	,	PUNCT
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eurjchem-2067	217	25	;	;	PUNCT
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eurjchem-2067	218	2	,	,	PUNCT
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eurjchem-2067	218	5	;	;	PUNCT
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eurjchem-2067	218	7	,	,	PUNCT
eurjchem-2067	218	8	s.	s.	PROPN
eurjchem-2067	218	9	l.	l.	PROPN
eurjchem-2067	218	10	;	;	PUNCT
eurjchem-2067	218	11	chen	chen	PROPN
eurjchem-2067	218	12	,	,	PUNCT
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eurjchem-2067	218	14	c.	c.	PROPN
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eurjchem-2067	220	2	.	.	PUNCT
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eurjchem-2067	221	2	,	,	PUNCT
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eurjchem-2067	221	7	,	,	PUNCT
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eurjchem-2067	221	9	.	.	PUNCT
eurjchem-2067	222	1	[	[	X
eurjchem-2067	222	2	5	5	NUM
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eurjchem-2067	222	4	.	.	PUNCT
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eurjchem-2067	223	5	s.	s.	PROPN
eurjchem-2067	223	6	;	;	PUNCT
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eurjchem-2067	223	8	,	,	PUNCT
eurjchem-2067	223	9	s.	s.	PROPN
eurjchem-2067	223	10	;	;	PUNCT
eurjchem-2067	223	11	saito	saito	PROPN
eurjchem-2067	223	12	,	,	PUNCT
eurjchem-2067	223	13	t.	t.	PROPN
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eurjchem-2067	223	16	,	,	PUNCT
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eurjchem-2067	223	19	6	6	NUM
eurjchem-2067	223	20	)	)	PUNCT
eurjchem-2067	223	21	,	,	PUNCT
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eurjchem-2067	223	23	.	.	PUNCT
eurjchem-2067	224	1	[	[	X
eurjchem-2067	224	2	6	6	NUM
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eurjchem-2067	224	4	.	.	PUNCT
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eurjchem-2067	225	2	,	,	PUNCT
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eurjchem-2067	225	4	;	;	PUNCT
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eurjchem-2067	225	6	,	,	PUNCT
eurjchem-2067	225	7	m.	m.	NOUN
eurjchem-2067	225	8	;	;	PUNCT
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eurjchem-2067	225	10	,	,	PUNCT
eurjchem-2067	225	11	k.	k.	PROPN
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eurjchem-2067	225	13	;	;	PUNCT
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eurjchem-2067	225	16	x.	x.	PROPN
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eurjchem-2067	225	23	;	;	PUNCT
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eurjchem-2067	225	25	,	,	PUNCT
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eurjchem-2067	225	29	.	.	PUNCT
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eurjchem-2067	225	31	.	.	PUNCT
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eurjchem-2067	226	2	,	,	PUNCT
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eurjchem-2067	226	4	(	(	PUNCT
eurjchem-2067	226	5	6	6	NUM
eurjchem-2067	226	6	)	)	PUNCT
eurjchem-2067	226	7	,	,	PUNCT
eurjchem-2067	226	8	1008–1013	1008–1013	NUM
eurjchem-2067	226	9	.	.	PUNCT
eurjchem-2067	227	1	[	[	X
eurjchem-2067	227	2	7	7	NUM
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eurjchem-2067	227	4	.	.	PUNCT
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eurjchem-2067	227	8	;	;	PUNCT
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eurjchem-2067	227	10	,	,	PUNCT
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eurjchem-2067	227	20	;	;	PUNCT
eurjchem-2067	227	21	yang	yang	PROPN
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eurjchem-2067	227	25	.	.	PROPN
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eurjchem-2067	228	2	.	.	PROPN
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eurjchem-2067	229	2	,	,	PUNCT
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eurjchem-2067	229	5	4	4	NUM
eurjchem-2067	229	6	)	)	PUNCT
eurjchem-2067	229	7	,	,	PUNCT
eurjchem-2067	229	8	1715–1725	1715–1725	NUM
eurjchem-2067	229	9	.	.	PUNCT
eurjchem-2067	230	1	[	[	X
eurjchem-2067	230	2	8	8	NUM
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eurjchem-2067	230	4	.	.	PUNCT
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eurjchem-2067	230	6	,	,	PUNCT
eurjchem-2067	230	7	b.	b.	PROPN
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eurjchem-2067	230	10	gadekar	gadekar	NOUN
eurjchem-2067	230	11	,	,	PUNCT
eurjchem-2067	230	12	a.	a.	PROPN
eurjchem-2067	230	13	s.	s.	PROPN
eurjchem-2067	230	14	;	;	PUNCT
eurjchem-2067	230	15	mehta	mehta	PROPN
eurjchem-2067	230	16	,	,	PUNCT
eurjchem-2067	230	17	p.	p.	PROPN
eurjchem-2067	230	18	p.	p.	NOUN
eurjchem-2067	230	19	;	;	PUNCT
eurjchem-2067	230	20	vawhal	vawhal	NOUN
eurjchem-2067	230	21	,	,	PUNCT
eurjchem-2067	230	22	p.	p.	PROPN
eurjchem-2067	230	23	k.	k.	PROPN
eurjchem-2067	230	24	;	;	PUNCT
eurjchem-2067	230	25	kolsure	kolsure	NOUN
eurjchem-2067	230	26	,	,	PUNCT
eurjchem-2067	230	27	a.	a.	PROPN
eurjchem-2067	230	28	k.	k.	PROPN
eurjchem-2067	230	29	;	;	PUNCT
eurjchem-2067	230	30	chabukswar	chabukswar	PROPN
eurjchem-2067	230	31	,	,	PUNCT
eurjchem-2067	230	32	a.	a.	PROPN
eurjchem-2067	230	33	r.	r.	PROPN
eurjchem-2067	230	34	asian	asian	PROPN
eurjchem-2067	230	35	.	.	PUNCT
eurjchem-2067	231	1	j.	j.	PROPN
eurjchem-2067	231	2	bio	bio	PROPN
eurjchem-2067	231	3	.	.	PROPN
eurjchem-2067	232	1	phar	phar	PROPN
eurjchem-2067	232	2	.	.	PUNCT
eurjchem-2067	233	1	sci	sci	PROPN
eurjchem-2067	233	2	.	.	PROPN
eurjchem-2067	233	3	2016	2016	NUM
eurjchem-2067	233	4	,	,	PUNCT
eurjchem-2067	233	5	6	6	NUM
eurjchem-2067	233	6	(	(	PUNCT
eurjchem-2067	233	7	56	56	NUM
eurjchem-2067	233	8	)	)	PUNCT
eurjchem-2067	233	9	,	,	PUNCT
eurjchem-2067	233	10	1–7	1–7	X
eurjchem-2067	233	11	.	.	PUNCT
eurjchem-2067	234	1	[	[	X
eurjchem-2067	234	2	9	9	NUM
eurjchem-2067	234	3	]	]	PUNCT
eurjchem-2067	234	4	.	.	PUNCT
eurjchem-2067	235	1	rahman	rahman	PROPN
eurjchem-2067	235	2	,	,	PUNCT
eurjchem-2067	235	3	m.	m.	NOUN
eurjchem-2067	235	4	chem	chem	NOUN
eurjchem-2067	235	5	.	.	PUNCT
eurjchem-2067	236	1	sci	sci	PROPN
eurjchem-2067	236	2	.	.	PUNCT
eurjchem-2067	237	1	j.	j.	PROPN
eurjchem-2067	237	2	2011	2011	NUM
eurjchem-2067	237	3	,	,	PUNCT
eurjchem-2067	237	4	2	2	NUM
eurjchem-2067	237	5	(	(	PUNCT
eurjchem-2067	237	6	1	1	NUM
eurjchem-2067	237	7	)	)	PUNCT
eurjchem-2067	237	8	,	,	PUNCT
eurjchem-2067	237	9	csj-29	csj-29	PROPN
eurjchem-2067	237	10	,	,	PUNCT
eurjchem-2067	237	11	1	1	NUM
eurjchem-2067	237	12	-	-	SYM
eurjchem-2067	237	13	16	16	NUM
eurjchem-2067	237	14	.	.	PUNCT
eurjchem-2067	238	1	[	[	X
eurjchem-2067	238	2	10	10	NUM
eurjchem-2067	238	3	]	]	PUNCT
eurjchem-2067	238	4	.	.	PUNCT
eurjchem-2067	239	1	mobinikhaled	mobinikhale	VERB
eurjchem-2067	239	2	,	,	PUNCT
eurjchem-2067	239	3	a.	a.	NOUN
eurjchem-2067	239	4	;	;	PUNCT
eurjchem-2067	239	5	foroughifar	foroughifar	ADV
eurjchem-2067	239	6	,	,	PUNCT
eurjchem-2067	239	7	n.	n.	NOUN
eurjchem-2067	239	8	;	;	PUNCT
eurjchem-2067	239	9	zendehdel	zendehdel	NOUN
eurjchem-2067	239	10	,	,	PUNCT
eurjchem-2067	239	11	m.	m.	NOUN
eurjchem-2067	239	12	synth	synth	NOUN
eurjchem-2067	239	13	.	.	PUNCT
eurjchem-2067	240	1	react	react	VERB
eurjchem-2067	240	2	.	.	PUNCT
eurjchem-2067	241	1	inorg	inorg	PROPN
eurjchem-2067	241	2	.	.	PROPN
eurjchem-2067	241	3	,	,	PUNCT
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eurjchem-2067	241	5	.	.	PUNCT
eurjchem-2067	242	1	org	org	NOUN
eurjchem-2067	242	2	.	.	PROPN
eurjchem-2067	242	3	,	,	PUNCT
eurjchem-2067	242	4	nano	nano	NOUN
eurjchem-2067	242	5	-	-	PUNCT
eurjchem-2067	242	6	met	meet	VERB
eurjchem-2067	242	7	.	.	PUNCT
eurjchem-2067	243	1	chem	chem	NOUN
eurjchem-2067	243	2	.	.	PUNCT
eurjchem-2067	244	1	2007	2007	NUM
eurjchem-2067	244	2	,	,	PUNCT
eurjchem-2067	244	3	37	37	NUM
eurjchem-2067	244	4	(	(	PUNCT
eurjchem-2067	244	5	4	4	NUM
eurjchem-2067	244	6	)	)	PUNCT
eurjchem-2067	244	7	,	,	PUNCT
eurjchem-2067	244	8	225–228	225–228	NUM
eurjchem-2067	244	9	.	.	PUNCT
eurjchem-2067	245	1	[	[	X
eurjchem-2067	245	2	11	11	NUM
eurjchem-2067	245	3	]	]	PUNCT
eurjchem-2067	245	4	.	.	PUNCT
eurjchem-2067	245	5	budhiraja	budhiraja	PROPN
eurjchem-2067	245	6	,	,	PUNCT
eurjchem-2067	245	7	a.	a.	NOUN
eurjchem-2067	245	8	;	;	PUNCT
eurjchem-2067	245	9	kadian	kadian	PROPN
eurjchem-2067	245	10	,	,	PUNCT
eurjchem-2067	245	11	k.	k.	PROPN
eurjchem-2067	245	12	;	;	PUNCT
eurjchem-2067	245	13	kaur	kaur	PROPN
eurjchem-2067	245	14	,	,	PUNCT
eurjchem-2067	245	15	m.	m.	NOUN
eurjchem-2067	245	16	;	;	PUNCT
eurjchem-2067	245	17	aggarwal	aggarwal	NOUN
eurjchem-2067	245	18	,	,	PUNCT
eurjchem-2067	245	19	v.	v.	PROPN
eurjchem-2067	245	20	;	;	PUNCT
eurjchem-2067	245	21	garg	garg	NOUN
eurjchem-2067	245	22	,	,	PUNCT
eurjchem-2067	245	23	a.	a.	NOUN
eurjchem-2067	245	24	;	;	PUNCT
eurjchem-2067	245	25	sapra	sapra	PROPN
eurjchem-2067	245	26	,	,	PUNCT
eurjchem-2067	245	27	s.	s.	PROPN
eurjchem-2067	245	28	;	;	PUNCT
eurjchem-2067	245	29	nepali	nepali	PROPN
eurjchem-2067	245	30	,	,	PUNCT
eurjchem-2067	245	31	k.	k.	PROPN
eurjchem-2067	245	32	;	;	PUNCT
eurjchem-2067	245	33	suri	suri	PROPN
eurjchem-2067	245	34	,	,	PUNCT
eurjchem-2067	245	35	o.	o.	PROPN
eurjchem-2067	245	36	p.	p.	PROPN
eurjchem-2067	245	37	;	;	PUNCT
eurjchem-2067	245	38	dhar	dhar	PROPN
eurjchem-2067	245	39	,	,	PUNCT
eurjchem-2067	245	40	k.	k.	PROPN
eurjchem-2067	245	41	l.	l.	PROPN
eurjchem-2067	245	42	med	med	PROPN
eurjchem-2067	245	43	.	.	PUNCT
eurjchem-2067	245	44	chem	chem	PROPN
eurjchem-2067	245	45	.	.	PUNCT
eurjchem-2067	246	1	res	re	NOUN
eurjchem-2067	246	2	.	.	PROPN
eurjchem-2067	247	1	2011	2011	NUM
eurjchem-2067	247	2	,	,	PUNCT
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eurjchem-2067	247	4	(	(	PUNCT
eurjchem-2067	247	5	9	9	NUM
eurjchem-2067	247	6	)	)	PUNCT
eurjchem-2067	247	7	,	,	PUNCT
eurjchem-2067	247	8	2133	2133	NUM
eurjchem-2067	247	9	–	–	PUNCT
eurjchem-2067	247	10	2140	2140	NUM
eurjchem-2067	247	11	.	.	PUNCT
eurjchem-2067	248	1	[	[	X
eurjchem-2067	248	2	12	12	NUM
eurjchem-2067	248	3	]	]	PUNCT
eurjchem-2067	248	4	.	.	PUNCT
eurjchem-2067	249	1	kalirajan	kalirajan	PROPN
eurjchem-2067	249	2	,	,	PUNCT
eurjchem-2067	249	3	r.	r.	PROPN
eurjchem-2067	249	4	;	;	PUNCT
eurjchem-2067	249	5	sivakumar	sivakumar	PROPN
eurjchem-2067	249	6	,	,	PUNCT
eurjchem-2067	249	7	s.	s.	PROPN
eurjchem-2067	249	8	u.	u.	PROPN
eurjchem-2067	249	9	;	;	PUNCT
eurjchem-2067	249	10	jubie	jubie	PROPN
eurjchem-2067	249	11	,	,	PUNCT
eurjchem-2067	249	12	s.	s.	PROPN
eurjchem-2067	249	13	;	;	PUNCT
eurjchem-2067	249	14	gowramma	gowramma	PROPN
eurjchem-2067	249	15	,	,	PUNCT
eurjchem-2067	249	16	b.	b.	PROPN
eurjchem-2067	249	17	;	;	PUNCT
eurjchem-2067	249	18	suresh	suresh	PROPN
eurjchem-2067	249	19	,	,	PUNCT
eurjchem-2067	249	20	b.	b.	PROPN
eurjchem-2067	249	21	int	int	PROPN
eurjchem-2067	249	22	.	.	PUNCT
eurjchem-2067	250	1	j.	j.	PROPN
eurjchem-2067	250	2	chem	chem	PROPN
eurjchem-2067	250	3	.	.	PUNCT
eurjchem-2067	251	1	tech	tech	NOUN
eurjchem-2067	251	2	.	.	PUNCT
eurjchem-2067	252	1	res	re	NOUN
eurjchem-2067	252	2	.	.	PROPN
eurjchem-2067	252	3	2009	2009	NUM
eurjchem-2067	252	4	,	,	PUNCT
eurjchem-2067	252	5	1	1	NUM
eurjchem-2067	252	6	(	(	PUNCT
eurjchem-2067	252	7	1	1	NUM
eurjchem-2067	252	8	)	)	PUNCT
eurjchem-2067	252	9	,	,	PUNCT
eurjchem-2067	252	10	27–34	27–34	NUM
eurjchem-2067	252	11	.	.	PUNCT
eurjchem-2067	253	1	[	[	X
eurjchem-2067	253	2	13	13	NUM
eurjchem-2067	253	3	]	]	PUNCT
eurjchem-2067	253	4	.	.	PUNCT
eurjchem-2067	254	1	madhu	madhu	PROPN
eurjchem-2067	254	2	,	,	PUNCT
eurjchem-2067	254	3	k.	k.	PROPN
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eurjchem-2067	254	5	j.	j.	PROPN
eurjchem-2067	254	6	;	;	PUNCT
eurjchem-2067	254	7	jagadeesh	jagadeesh	PROPN
eurjchem-2067	254	8	,	,	PUNCT
eurjchem-2067	254	9	p.	p.	PROPN
eurjchem-2067	254	10	d.	d.	PROPN
eurjchem-2067	254	11	;	;	PUNCT
eurjchem-2067	254	12	prakash	prakash	PROPN
eurjchem-2067	254	13	,	,	PUNCT
eurjchem-2067	254	14	a.	a.	PROPN
eurjchem-2067	254	15	c.	c.	PROPN
eurjchem-2067	254	16	;	;	PUNCT
eurjchem-2067	254	17	sana	sana	PROPN
eurjchem-2067	254	18	,	,	PUNCT
eurjchem-2067	254	19	s.	s.	PROPN
eurjchem-2067	254	20	;	;	PUNCT
eurjchem-2067	254	21	chandrashekar	chandrashekar	PROPN
eurjchem-2067	254	22	,	,	PUNCT
eurjchem-2067	254	23	k.	k.	PROPN
eurjchem-2067	254	24	r.	r.	PROPN
eurjchem-2067	254	25	int	int	PROPN
eurjchem-2067	254	26	.	.	PUNCT
eurjchem-2067	255	1	j.	j.	PROPN
eurjchem-2067	255	2	adv	adv	PROPN
eurjchem-2067	255	3	.	.	PUNCT
eurjchem-2067	256	1	res	res	PROPN
eurjchem-2067	256	2	.	.	PROPN
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eurjchem-2067	256	4	.	.	PUNCT
eurjchem-2067	257	1	sci	sci	PROPN
eurjchem-2067	257	2	.	.	PROPN
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eurjchem-2067	257	4	,	,	PUNCT
eurjchem-2067	257	5	2	2	NUM
eurjchem-2067	257	6	(	(	PUNCT
eurjchem-2067	257	7	7	7	NUM
eurjchem-2067	257	8	)	)	PUNCT
eurjchem-2067	257	9	,	,	PUNCT
eurjchem-2067	257	10	43–51	43–51	X
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eurjchem-2067	258	1	[	[	X
eurjchem-2067	258	2	14	14	NUM
eurjchem-2067	258	3	]	]	PUNCT
eurjchem-2067	258	4	.	.	PUNCT
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eurjchem-2067	259	2	,	,	PUNCT
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eurjchem-2067	259	4	-	-	PUNCT
eurjchem-2067	259	5	sm	sm	NOUN
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eurjchem-2067	259	9	.	.	PUNCT
eurjchem-2067	260	1	rigaku	rigaku	NOUN
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eurjchem-2067	260	3	,	,	PUNCT
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eurjchem-2067	260	5	,	,	PUNCT
eurjchem-2067	260	6	japan	japan	PROPN
eurjchem-2067	260	7	,	,	PUNCT
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eurjchem-2067	260	9	.	.	PUNCT
eurjchem-2067	261	1	[	[	X
eurjchem-2067	261	2	15	15	NUM
eurjchem-2067	261	3	]	]	PUNCT
eurjchem-2067	261	4	.	.	PUNCT
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eurjchem-2067	261	6	,	,	PUNCT
eurjchem-2067	261	7	g.	g.	PROPN
eurjchem-2067	261	8	m.	m.	PROPN
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eurjchem-2067	261	11	.	.	PUNCT
eurjchem-2067	262	1	a	a	DET
eurjchem-2067	262	2	2007	2007	NUM
eurjchem-2067	262	3	,	,	PUNCT
eurjchem-2067	262	4	64	64	NUM
eurjchem-2067	262	5	(	(	PUNCT
eurjchem-2067	262	6	1	1	NUM
eurjchem-2067	262	7	)	)	PUNCT
eurjchem-2067	262	8	,	,	PUNCT
eurjchem-2067	262	9	112–122	112–122	NUM
eurjchem-2067	262	10	.	.	PUNCT
eurjchem-2067	263	1	[	[	X
eurjchem-2067	263	2	16	16	NUM
eurjchem-2067	263	3	]	]	PUNCT
eurjchem-2067	263	4	.	.	PUNCT
eurjchem-2067	264	1	johnson	johnson	PROPN
eurjchem-2067	264	2	,	,	PUNCT
eurjchem-2067	264	3	c.	c.	PROPN
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eurjchem-2067	264	5	ortep	ortep	PROPN
eurjchem-2067	264	6	-	-	PUNCT
eurjchem-2067	264	7	ii	ii	PROPN
eurjchem-2067	264	8	:	:	PUNCT
eurjchem-2067	264	9	a	a	DET
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eurjchem-2067	264	12	-	-	PUNCT
eurjchem-2067	264	13	ellipsoid	ellipsoid	NOUN
eurjchem-2067	264	14	plot	plot	NOUN
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eurjchem-2067	264	16	for	for	ADP
eurjchem-2067	264	17	crystal	crystal	NOUN
eurjchem-2067	264	18	structure	structure	NOUN
eurjchem-2067	264	19	illustrations	illustration	NOUN
eurjchem-2067	264	20	;	;	PUNCT
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eurjchem-2067	264	27	(	(	PUNCT
eurjchem-2067	264	28	osti	osti	PROPN
eurjchem-2067	264	29	)	)	PUNCT
eurjchem-2067	264	30	,	,	PUNCT
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eurjchem-2067	264	37	,	,	PUNCT
eurjchem-2067	264	38	1976	1976	NUM
eurjchem-2067	264	39	.	.	PUNCT
eurjchem-2067	265	1	[	[	X
eurjchem-2067	265	2	17	17	NUM
eurjchem-2067	265	3	]	]	PUNCT
eurjchem-2067	265	4	.	.	PUNCT
eurjchem-2067	266	1	macrae	macrae	PROPN
eurjchem-2067	266	2	,	,	PUNCT
eurjchem-2067	266	3	c.	c.	PROPN
eurjchem-2067	266	4	f.	f.	PROPN
eurjchem-2067	266	5	;	;	PUNCT
eurjchem-2067	266	6	sovago	sovago	PROPN
eurjchem-2067	266	7	,	,	PUNCT
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eurjchem-2067	266	9	;	;	PUNCT
eurjchem-2067	266	10	cottrell	cottrell	PROPN
eurjchem-2067	266	11	,	,	PUNCT
eurjchem-2067	266	12	s.	s.	PROPN
eurjchem-2067	266	13	j.	j.	PROPN
eurjchem-2067	266	14	;	;	PUNCT
eurjchem-2067	266	15	galek	galek	PROPN
eurjchem-2067	266	16	,	,	PUNCT
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eurjchem-2067	266	18	t.	t.	PROPN
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eurjchem-2067	266	20	;	;	PUNCT
eurjchem-2067	266	21	mccabe	mccabe	PROPN
eurjchem-2067	266	22	,	,	PUNCT
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eurjchem-2067	266	24	;	;	PUNCT
eurjchem-2067	266	25	pidcock	pidcock	PROPN
eurjchem-2067	266	26	,	,	PUNCT
eurjchem-2067	266	27	e.	e.	PROPN
eurjchem-2067	266	28	;	;	PUNCT
eurjchem-2067	266	29	platings	plating	NOUN
eurjchem-2067	266	30	,	,	PUNCT
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eurjchem-2067	266	32	;	;	PUNCT
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eurjchem-2067	266	35	g.	g.	PROPN
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eurjchem-2067	266	37	;	;	PUNCT
eurjchem-2067	266	38	stevens	stevens	PROPN
eurjchem-2067	266	39	,	,	PUNCT
eurjchem-2067	266	40	j.	j.	PROPN
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eurjchem-2067	266	42	;	;	PUNCT
eurjchem-2067	266	43	towler	towler	NOUN
eurjchem-2067	266	44	,	,	PUNCT
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eurjchem-2067	268	2	,	,	PUNCT
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eurjchem-2067	268	4	(	(	PUNCT
eurjchem-2067	268	5	1	1	NUM
eurjchem-2067	268	6	)	)	PUNCT
eurjchem-2067	268	7	,	,	PUNCT
eurjchem-2067	268	8	226–235	226–235	NUM
eurjchem-2067	268	9	.	.	PUNCT
eurjchem-2067	269	1	[	[	X
eurjchem-2067	269	2	18	18	NUM
eurjchem-2067	269	3	]	]	PUNCT
eurjchem-2067	269	4	.	.	PUNCT
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eurjchem-2067	270	2	,	,	PUNCT
eurjchem-2067	270	3	f.	f.	PROPN
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eurjchem-2067	270	5	;	;	PUNCT
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eurjchem-2067	270	7	,	,	PUNCT
eurjchem-2067	270	8	o.	o.	PROPN
eurjchem-2067	270	9	;	;	PUNCT
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eurjchem-2067	270	14	;	;	PUNCT
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eurjchem-2067	270	23	;	;	PUNCT
eurjchem-2067	270	24	taylor	taylor	PROPN
eurjchem-2067	270	25	,	,	PUNCT
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eurjchem-2067	270	27	j.	j.	PROPN
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eurjchem-2067	270	29	.	.	PUNCT
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eurjchem-2067	271	2	.	.	PUNCT
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eurjchem-2067	271	6	.	.	PROPN
eurjchem-2067	272	1	2	2	NUM
eurjchem-2067	272	2	1987	1987	NUM
eurjchem-2067	272	3	,	,	PUNCT
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eurjchem-2067	272	5	,	,	PUNCT
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eurjchem-2067	272	7	-	-	PUNCT
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eurjchem-2067	273	2	19	19	NUM
eurjchem-2067	273	3	]	]	PUNCT
eurjchem-2067	273	4	.	.	PUNCT
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eurjchem-2067	274	2	,	,	PUNCT
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eurjchem-2067	274	4	;	;	PUNCT
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eurjchem-2067	274	6	,	,	PUNCT
eurjchem-2067	274	7	n.	n.	PROPN
eurjchem-2067	274	8	k.	k.	PROPN
eurjchem-2067	274	9	;	;	PUNCT
eurjchem-2067	274	10	naveen	naveen	PROPN
eurjchem-2067	274	11	,	,	PUNCT
eurjchem-2067	274	12	s.	s.	PROPN
eurjchem-2067	274	13	;	;	PUNCT
eurjchem-2067	274	14	naresh	naresh	PROPN
eurjchem-2067	274	15	,	,	PUNCT
eurjchem-2067	274	16	p.	p.	PROPN
eurjchem-2067	274	17	;	;	PUNCT
eurjchem-2067	274	18	ganguly	ganguly	PROPN
eurjchem-2067	274	19	,	,	PUNCT
eurjchem-2067	274	20	s.	s.	PROPN
eurjchem-2067	274	21	;	;	PUNCT
eurjchem-2067	274	22	panda	panda	NOUN
eurjchem-2067	274	23	,	,	PUNCT
eurjchem-2067	274	24	j.	j.	PROPN
eurjchem-2067	274	25	j.	j.	PROPN
eurjchem-2067	274	26	mol	mol	PROPN
eurjchem-2067	274	27	.	.	PROPN
eurjchem-2067	274	28	struc	struc	PROPN
eurjchem-2067	274	29	.	.	PUNCT
eurjchem-2067	275	1	2018	2018	NUM
eurjchem-2067	275	2	,	,	PUNCT
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eurjchem-2067	275	4	,	,	PUNCT
eurjchem-2067	275	5	9–17	9–17	NOUN
eurjchem-2067	275	6	.	.	PUNCT
eurjchem-2067	276	1	[	[	X
eurjchem-2067	276	2	20	20	NUM
eurjchem-2067	276	3	]	]	PUNCT
eurjchem-2067	276	4	.	.	PUNCT
eurjchem-2067	277	1	spackman	spackman	PROPN
eurjchem-2067	277	2	,	,	PUNCT
eurjchem-2067	277	3	m.	m.	NOUN
eurjchem-2067	277	4	a.	a.	PROPN
eurjchem-2067	277	5	;	;	PUNCT
eurjchem-2067	277	6	byrom	byrom	PROPN
eurjchem-2067	277	7	,	,	PUNCT
eurjchem-2067	277	8	p.	p.	NOUN
eurjchem-2067	277	9	g.	g.	PROPN
eurjchem-2067	277	10	chem	chem	PROPN
eurjchem-2067	277	11	.	.	PUNCT
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eurjchem-2067	278	2	.	.	PUNCT
eurjchem-2067	279	1	lett	lett	PROPN
eurjchem-2067	279	2	.	.	PUNCT
eurjchem-2067	280	1	1997	1997	NUM
eurjchem-2067	280	2	,	,	PUNCT
eurjchem-2067	280	3	267	267	NUM
eurjchem-2067	280	4	(	(	PUNCT
eurjchem-2067	280	5	3–4	3–4	NUM
eurjchem-2067	280	6	)	)	PUNCT
eurjchem-2067	280	7	,	,	PUNCT
eurjchem-2067	280	8	215	215	NUM
eurjchem-2067	280	9	–	–	PUNCT
eurjchem-2067	280	10	220	220	NUM
eurjchem-2067	280	11	.	.	PUNCT
eurjchem-2067	281	1	[	[	X
eurjchem-2067	281	2	21	21	NUM
eurjchem-2067	281	3	]	]	PUNCT
eurjchem-2067	281	4	.	.	PUNCT
eurjchem-2067	281	5	spackman	spackman	PROPN
eurjchem-2067	281	6	,	,	PUNCT
eurjchem-2067	281	7	m.	m.	NOUN
eurjchem-2067	281	8	a.	a.	PROPN
eurjchem-2067	281	9	;	;	PUNCT
eurjchem-2067	281	10	jayatilaka	jayatilaka	PROPN
eurjchem-2067	281	11	,	,	PUNCT
eurjchem-2067	281	12	d.	d.	PROPN
eurjchem-2067	281	13	crystengcomm	crystengcomm	PROPN
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eurjchem-2067	281	15	,	,	PUNCT
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eurjchem-2067	281	17	(	(	PUNCT
eurjchem-2067	281	18	1	1	NUM
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eurjchem-2067	281	20	,	,	PUNCT
eurjchem-2067	281	21	19–32	19–32	NUM
eurjchem-2067	281	22	.	.	PUNCT
eurjchem-2067	282	1	[	[	X
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eurjchem-2067	282	3	]	]	PUNCT
eurjchem-2067	282	4	.	.	PUNCT
eurjchem-2067	283	1	kumara	kumara	PROPN
eurjchem-2067	283	2	,	,	PUNCT
eurjchem-2067	283	3	k.	k.	PROPN
eurjchem-2067	283	4	;	;	PUNCT
eurjchem-2067	283	5	jyothi	jyothi	PROPN
eurjchem-2067	283	6	,	,	PUNCT
eurjchem-2067	283	7	m.	m.	NOUN
eurjchem-2067	283	8	;	;	PUNCT
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eurjchem-2067	283	10	;	;	PUNCT
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eurjchem-2067	283	12	,	,	PUNCT
eurjchem-2067	283	13	n.	n.	NOUN
eurjchem-2067	283	14	;	;	PUNCT
eurjchem-2067	283	15	khanum	khanum	PROPN
eurjchem-2067	283	16	,	,	PUNCT
eurjchem-2067	283	17	s.	s.	PROPN
eurjchem-2067	283	18	a.	a.	PROPN
eurjchem-2067	283	19	;	;	PUNCT
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eurjchem-2067	283	21	,	,	PUNCT
eurjchem-2067	283	22	l.	l.	PROPN
eurjchem-2067	283	23	n.	n.	PROPN
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eurjchem-2067	283	25	.	.	PUNCT
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eurjchem-2067	284	3	.	.	PUNCT
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eurjchem-2067	285	2	,	,	PUNCT
eurjchem-2067	285	3	9–10	9–10	NOUN
eurjchem-2067	285	4	,	,	PUNCT
eurjchem-2067	285	5	152–163	152–163	NUM
eurjchem-2067	285	6	.	.	PUNCT
eurjchem-2067	286	1	[	[	X
eurjchem-2067	286	2	23	23	NUM
eurjchem-2067	286	3	]	]	PUNCT
eurjchem-2067	286	4	.	.	PUNCT
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eurjchem-2067	287	2	,	,	PUNCT
eurjchem-2067	287	3	d.	d.	PROPN
eurjchem-2067	287	4	;	;	PUNCT
eurjchem-2067	287	5	wolff	wolff	PROPN
eurjchem-2067	287	6	,	,	PUNCT
eurjchem-2067	287	7	s.	s.	PROPN
eurjchem-2067	287	8	k.	k.	PROPN
eurjchem-2067	287	9	;	;	PUNCT
eurjchem-2067	287	10	grimwood	grimwood	PROPN
eurjchem-2067	287	11	,	,	PUNCT
eurjchem-2067	287	12	d.	d.	PROPN
eurjchem-2067	287	13	j.	j.	PROPN
eurjchem-2067	287	14	;	;	PUNCT
eurjchem-2067	287	15	mckinnon	mckinnon	PROPN
eurjchem-2067	287	16	,	,	PUNCT
eurjchem-2067	287	17	j.	j.	PROPN
eurjchem-2067	287	18	j.	j.	PROPN
eurjchem-2067	287	19	;	;	PUNCT
eurjchem-2067	287	20	spackman	spackman	PROPN
eurjchem-2067	287	21	,	,	PUNCT
eurjchem-2067	287	22	m.	m.	NOUN
eurjchem-2067	287	23	a.	a.	PROPN
eurjchem-2067	287	24	acta	acta	PROPN
eurjchem-2067	287	25	cryst	cryst	PROPN
eurjchem-2067	287	26	.	.	PUNCT
eurjchem-2067	288	1	a	a	DET
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eurjchem-2067	288	3	,	,	PUNCT
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eurjchem-2067	288	5	(	(	PUNCT
eurjchem-2067	288	6	a1	a1	PROPN
eurjchem-2067	288	7	)	)	PUNCT
eurjchem-2067	288	8	,	,	PUNCT
eurjchem-2067	288	9	s90	s90	PROPN
eurjchem-2067	288	10	–	–	PUNCT
eurjchem-2067	288	11	s90	s90	NOUN
eurjchem-2067	288	12	.	.	PUNCT
eurjchem-2067	289	1	[	[	X
eurjchem-2067	289	2	24	24	NUM
eurjchem-2067	289	3	]	]	PUNCT
eurjchem-2067	289	4	.	.	PUNCT
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eurjchem-2067	290	2	,	,	PUNCT
eurjchem-2067	290	3	m.	m.	PROPN
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eurjchem-2067	290	5	;	;	PUNCT
eurjchem-2067	290	6	baldridge	baldridge	PROPN
eurjchem-2067	290	7	,	,	PUNCT
eurjchem-2067	290	8	k.	k.	PROPN
eurjchem-2067	290	9	k.	k.	PROPN
eurjchem-2067	290	10	;	;	PUNCT
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eurjchem-2067	290	13	j.	j.	PROPN
eurjchem-2067	290	14	a.	a.	PROPN
eurjchem-2067	290	15	;	;	PUNCT
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eurjchem-2067	290	17	,	,	PUNCT
eurjchem-2067	290	18	s.	s.	PROPN
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eurjchem-2067	290	20	;	;	PUNCT
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eurjchem-2067	290	22	,	,	PUNCT
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eurjchem-2067	290	25	;	;	PUNCT
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eurjchem-2067	290	28	j.	j.	PROPN
eurjchem-2067	290	29	h.	h.	PROPN
eurjchem-2067	290	30	;	;	PUNCT
eurjchem-2067	290	31	koseki	koseki	PROPN
eurjchem-2067	290	32	,	,	PUNCT
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eurjchem-2067	290	34	;	;	PUNCT
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eurjchem-2067	290	36	,	,	PUNCT
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eurjchem-2067	290	38	;	;	PUNCT
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eurjchem-2067	290	40	,	,	PUNCT
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eurjchem-2067	290	43	;	;	PUNCT
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eurjchem-2067	290	45	,	,	PUNCT
eurjchem-2067	290	46	s.	s.	PROPN
eurjchem-2067	290	47	;	;	PUNCT
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eurjchem-2067	290	52	;	;	PUNCT
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eurjchem-2067	290	54	,	,	PUNCT
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eurjchem-2067	290	63	.	.	PUNCT
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eurjchem-2067	291	2	.	.	PUNCT
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eurjchem-2067	292	2	,	,	PUNCT
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eurjchem-2067	292	7	,	,	PUNCT
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eurjchem-2067	292	9	–	–	PUNCT
eurjchem-2067	292	10	1363	1363	NUM
eurjchem-2067	292	11	.	.	PUNCT
eurjchem-2067	293	1	[	[	X
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eurjchem-2067	293	3	]	]	PUNCT
eurjchem-2067	293	4	.	.	PUNCT
eurjchem-2067	293	5	karuppasamy	karuppasamy	PROPN
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eurjchem-2067	293	8	;	;	PUNCT
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eurjchem-2067	293	10	,	,	PUNCT
eurjchem-2067	293	11	t.	t.	PROPN
eurjchem-2067	293	12	;	;	PUNCT
eurjchem-2067	293	13	anitha	anitha	PROPN
eurjchem-2067	293	14	,	,	PUNCT
eurjchem-2067	293	15	k.	k.	PROPN
eurjchem-2067	293	16	;	;	PUNCT
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eurjchem-2067	293	19	,	,	PUNCT
eurjchem-2067	293	20	s.	s.	PROPN
eurjchem-2067	293	21	;	;	PUNCT
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eurjchem-2067	293	24	,	,	PUNCT
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eurjchem-2067	293	26	;	;	PUNCT
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eurjchem-2067	293	28	,	,	PUNCT
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eurjchem-2067	293	30	;	;	PUNCT
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eurjchem-2067	293	32	,	,	PUNCT
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eurjchem-2067	293	34	;	;	PUNCT
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eurjchem-2067	293	37	,	,	PUNCT
eurjchem-2067	293	38	s.	s.	PROPN
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eurjchem-2067	293	41	.	.	PUNCT
eurjchem-2067	294	1	2018	2018	NUM
eurjchem-2067	294	2	,	,	PUNCT
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eurjchem-2067	294	4	,	,	PUNCT
eurjchem-2067	294	5	475–489	475–489	NUM
eurjchem-2067	294	6	.	.	PUNCT
eurjchem-2067	295	1	[	[	X
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eurjchem-2067	295	3	]	]	PUNCT
eurjchem-2067	295	4	.	.	PUNCT
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eurjchem-2067	296	7	.	.	PUNCT
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eurjchem-2067	297	2	.	.	PROPN
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eurjchem-2067	297	4	,	,	PUNCT
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eurjchem-2067	297	6	(	(	PUNCT
eurjchem-2067	297	7	5	5	NUM
eurjchem-2067	297	8	)	)	PUNCT
eurjchem-2067	297	9	,	,	PUNCT
eurjchem-2067	297	10	369–377	369–377	NUM
eurjchem-2067	297	11	.	.	PUNCT
eurjchem-2067	298	1	[	[	X
eurjchem-2067	298	2	27	27	NUM
eurjchem-2067	298	3	]	]	PUNCT
eurjchem-2067	298	4	.	.	PUNCT
eurjchem-2067	299	1	aihara	aihara	PROPN
eurjchem-2067	299	2	,	,	PUNCT
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eurjchem-2067	299	5	.	.	PUNCT
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eurjchem-2067	300	2	.	.	PUNCT
eurjchem-2067	301	1	acta	acta	PROPN
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eurjchem-2067	301	3	,	,	PUNCT
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eurjchem-2067	301	5	(	(	PUNCT
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eurjchem-2067	301	7	)	)	PUNCT
eurjchem-2067	301	8	,	,	PUNCT
eurjchem-2067	301	9	134–138	134–138	NUM
eurjchem-2067	301	10	.	.	PUNCT
eurjchem-2067	302	1	[	[	X
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eurjchem-2067	314	2	,	,	PUNCT
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eurjchem-2067	314	7	,	,	PUNCT
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eurjchem-2067	317	31	(	(	PUNCT
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eurjchem-2067	319	17	nc	nc	PROPN
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eurjchem-2067	319	23	non	non	ADJ
eurjchem-2067	319	24	-	-	ADJ
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eurjchem-2067	322	12	.	.	PUNCT
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eurjchem-2067	328	2	molecular	molecular	ADJ
eurjchem-2067	328	3	orbitals	orbital	NOUN
eurjchem-2067	328	4	3.5	3.5	NUM
eurjchem-2067	328	5	.	.	PUNCT
eurjchem-2067	329	1	molecular	molecular	ADJ
eurjchem-2067	329	2	electrostatic	electrostatic	ADJ
eurjchem-2067	329	3	potential	potential	NOUN
eurjchem-2067	329	4	(	(	PUNCT
eurjchem-2067	329	5	mep	mep	PROPN
eurjchem-2067	329	6	)	)	PUNCT
eurjchem-2067	329	7	3.6	3.6	NUM
eurjchem-2067	329	8	.	.	PUNCT
eurjchem-2067	330	1	reduced	reduce	VERB
eurjchem-2067	330	2	density	density	NOUN
eurjchem-2067	330	3	gradient	gradient	NOUN
eurjchem-2067	330	4	(	(	PUNCT
eurjchem-2067	330	5	rdg	rdg	NOUN
eurjchem-2067	330	6	)	)	PUNCT
eurjchem-2067	330	7	4	4	NUM
eurjchem-2067	330	8	.	.	X
eurjchem-2067	331	1	conclusion	conclusion	NOUN
eurjchem-2067	331	2	acknowledgments	acknowledgment	NOUN
eurjchem-2067	331	3	supporting	support	VERB
eurjchem-2067	331	4	information	information	NOUN
eurjchem-2067	331	5	disclosure	disclosure	NOUN
eurjchem-2067	331	6	statement	statement	NOUN
eurjchem-2067	331	7	orcid	orcid	PROPN
eurjchem-2067	331	8	references	reference	NOUN
eurjchem-2067	331	9	printfield10	printfield10	NOUN
eurjchem-2067	331	10	:	:	PUNCT
eurjchem-2067	331	11	printfield11	printfield11	NOUN
eurjchem-2067	331	12	:	:	PUNCT
eurjchem-2067	331	13	printfield12	printfield12	PROPN
eurjchem-2067	331	14	:	:	PUNCT
eurjchem-2067	331	15	printfield13	printfield13	VERB
eurjchem-2067	331	16	:	:	PUNCT
eurjchem-2067	331	17	printfield14	printfield14	NOUN
eurjchem-2067	331	18	:	:	PUNCT
eurjchem-2067	331	19	printfield15	printfield15	NOUN
eurjchem-2067	331	20	:	:	PUNCT
eurjchem-2067	331	21	printfield16	printfield16	ADJ
eurjchem-2067	331	22	:	:	PUNCT
eurjchem-2067	331	23	printfield17	printfield17	NOUN
eurjchem-2067	331	24	:	:	PUNCT
eurjchem-2067	331	25	printfield20	printfield20	PROPN
eurjchem-2067	331	26	:	:	PUNCT
eurjchem-2067	332	1	printfield21	printfield21	ADJ
eurjchem-2067	332	2	:	:	PUNCT
eurjchem-2067	332	3	printfield22	printfield22	NOUN
eurjchem-2067	332	4	:	:	PUNCT
eurjchem-2067	332	5	printfield23	printfield23	NOUN
eurjchem-2067	332	6	:	:	PUNCT
eurjchem-2067	332	7	printfield24	printfield24	NOUN
eurjchem-2067	332	8	:	:	PUNCT
eurjchem-2067	332	9	printfield25	printfield25	NOUN
eurjchem-2067	332	10	:	:	PUNCT
eurjchem-2067	332	11	printfield26	printfield26	ADJ
eurjchem-2067	332	12	:	:	PUNCT
eurjchem-2067	332	13	printfield27	printfield27	NOUN
eurjchem-2067	332	14	:	:	PUNCT