id	sid	tid	token	lemma	pos
eurjchem-1920	1	1	hirshfeld	hirshfeld	PROPN
eurjchem-1920	1	2	surface	surface	PROPN
eurjchem-1920	1	3	and	and	CCONJ
eurjchem-1920	1	4	theoretical	theoretical	ADJ
eurjchem-1920	1	5	studies	study	NOUN
eurjchem-1920	1	6	of	of	ADP
eurjchem-1920	1	7	2,2,2	2,2,2	NUM
eurjchem-1920	1	8	-	-	PUNCT
eurjchem-1920	1	9	trichloro	trichloro	NUM
eurjchem-1920	1	10	-	-	PUNCT
eurjchem-1920	1	11	n	n	CCONJ
eurjchem-1920	1	12	,	,	PUNCT
eurjchem-1920	1	13	n	n	CCONJ
eurjchem-1920	1	14	-	-	PUNCT
eurjchem-1920	1	15	bis(2-(2,2,2	bis(2-(2,2,2	NOUN
eurjchem-1920	1	16	-	-	PUNCT
eurjchem-1920	1	17	trichloroacetamido)phenyl)acetamide	trichloroacetamido)phenyl)acetamide	NOUN
eurjchem-1920	1	18	compound	compound	NOUN
eurjchem-1920	1	19	european	european	ADJ
eurjchem-1920	1	20	journal	journal	PROPN
eurjchem-1920	1	21	of	of	ADP
eurjchem-1920	1	22	chemistry	chemistry	NOUN
eurjchem-1920	1	23	10	10	NUM
eurjchem-1920	1	24	(	(	PUNCT
eurjchem-1920	1	25	4	4	NUM
eurjchem-1920	1	26	)	)	PUNCT
eurjchem-1920	1	27	(	(	PUNCT
eurjchem-1920	1	28	2019	2019	NUM
eurjchem-1920	1	29	)	)	PUNCT
eurjchem-1920	1	30	323	323	NUM
eurjchem-1920	1	31	-	-	SYM
eurjchem-1920	1	32	335	335	NUM
eurjchem-1920	1	33	european	european	ADJ
eurjchem-1920	1	34	journal	journal	PROPN
eurjchem-1920	1	35	of	of	ADP
eurjchem-1920	1	36	chemistry	chemistry	NOUN
eurjchem-1920	1	37	view	view	NOUN
eurjchem-1920	1	38	journal	journal	PROPN
eurjchem-1920	1	39	online	online	PROPN
eurjchem-1920	1	40	view	view	NOUN
eurjchem-1920	1	41	article	article	NOUN
eurjchem-1920	1	42	online	online	PROPN
eurjchem-1920	1	43	hirshfeld	hirshfeld	PROPN
eurjchem-1920	1	44	surface	surface	PROPN
eurjchem-1920	1	45	and	and	CCONJ
eurjchem-1920	1	46	theoretical	theoretical	ADJ
eurjchem-1920	1	47	studies	study	NOUN
eurjchem-1920	1	48	of	of	ADP
eurjchem-1920	1	49	2,2,2	2,2,2	NUM
eurjchem-1920	1	50	-	-	PUNCT
eurjchem-1920	1	51	trichloro	trichloro	NUM
eurjchem-1920	1	52	-	-	PUNCT
eurjchem-1920	1	53	n	n	CCONJ
eurjchem-1920	1	54	,	,	PUNCT
eurjchem-1920	1	55	n	n	CCONJ
eurjchem-1920	1	56	-	-	PUNCT
eurjchem-1920	1	57	bis(2-(2,2,2trichloroacetamido)phenyl)acetamide	bis(2-(2,2,2trichloroacetamido)phenyl)acetamide	NOUN
eurjchem-1920	1	58	compound	compound	NOUN
eurjchem-1920	1	59	immihan	immihan	PROPN
eurjchem-1920	1	60	sezen	sezen	PROPN
eurjchem-1920	1	61	aydogdu	aydogdu	ADV
eurjchem-1920	1	62	1	1	NUM
eurjchem-1920	1	63	,	,	PUNCT
eurjchem-1920	1	64	*	*	PUNCT
eurjchem-1920	1	65	,	,	PUNCT
eurjchem-1920	1	66	ilkay	ilkay	PROPN
eurjchem-1920	1	67	gumus	gumus	PROPN
eurjchem-1920	1	68	2	2	NUM
eurjchem-1920	1	69	and	and	CCONJ
eurjchem-1920	1	70	hakan	hakan	PROPN
eurjchem-1920	1	71	arslan	arslan	PROPN
eurjchem-1920	1	72	1	1	NUM
eurjchem-1920	1	73	1	1	NUM
eurjchem-1920	1	74	department	department	NOUN
eurjchem-1920	1	75	of	of	ADP
eurjchem-1920	1	76	chemistry	chemistry	NOUN
eurjchem-1920	1	77	,	,	PUNCT
eurjchem-1920	1	78	faculty	faculty	NOUN
eurjchem-1920	1	79	of	of	ADP
eurjchem-1920	1	80	arts	art	NOUN
eurjchem-1920	1	81	and	and	CCONJ
eurjchem-1920	1	82	science	science	PROPN
eurjchem-1920	1	83	,	,	PUNCT
eurjchem-1920	1	84	mersin	mersin	PROPN
eurjchem-1920	1	85	university	university	PROPN
eurjchem-1920	1	86	,	,	PUNCT
eurjchem-1920	1	87	mersin	mersin	PROPN
eurjchem-1920	1	88	,	,	PUNCT
eurjchem-1920	1	89	33343	33343	NUM
eurjchem-1920	1	90	,	,	PUNCT
eurjchem-1920	1	91	turkey	turkey	PROPN
eurjchem-1920	1	92	immihansezen@gmail.com	immihansezen@gmail.com	PROPN
eurjchem-1920	2	1	(	(	PUNCT
eurjchem-1920	2	2	i.s.a	i.s.a	NOUN
eurjchem-1920	2	3	.	.	PUNCT
eurjchem-1920	2	4	)	)	PUNCT
eurjchem-1920	2	5	,	,	PUNCT
eurjchem-1920	2	6	hakan.arslan@mersin.edu.tr	hakan.arslan@mersin.edu.tr	PROPN
eurjchem-1920	2	7	(	(	PUNCT
eurjchem-1920	2	8	h.a	h.a	PROPN
eurjchem-1920	2	9	.	.	PROPN
eurjchem-1920	2	10	)	)	PUNCT
eurjchem-1920	2	11	2	2	NUM
eurjchem-1920	2	12	department	department	NOUN
eurjchem-1920	2	13	of	of	ADP
eurjchem-1920	2	14	basic	basic	ADJ
eurjchem-1920	2	15	sciences	science	NOUN
eurjchem-1920	2	16	,	,	PUNCT
eurjchem-1920	2	17	faculty	faculty	NOUN
eurjchem-1920	2	18	of	of	ADP
eurjchem-1920	2	19	maritime	maritime	ADJ
eurjchem-1920	2	20	,	,	PUNCT
eurjchem-1920	2	21	mersin	mersin	PROPN
eurjchem-1920	2	22	university	university	PROPN
eurjchem-1920	2	23	,	,	PUNCT
eurjchem-1920	2	24	mersin	mersin	PROPN
eurjchem-1920	2	25	,	,	PUNCT
eurjchem-1920	2	26	33343	33343	NUM
eurjchem-1920	2	27	,	,	PUNCT
eurjchem-1920	2	28	turkey	turkey	NOUN
eurjchem-1920	2	29	ilkay.gumus@mersin.edu.tr	ilkay.gumus@mersin.edu.tr	PROPN
eurjchem-1920	2	30	(	(	PUNCT
eurjchem-1920	2	31	i.g	i.g	PROPN
eurjchem-1920	2	32	.	.	PROPN
eurjchem-1920	2	33	)	)	PUNCT
eurjchem-1920	3	1	*	*	PUNCT
eurjchem-1920	3	2	corresponding	correspond	VERB
eurjchem-1920	3	3	author	author	NOUN
eurjchem-1920	3	4	at	at	ADP
eurjchem-1920	3	5	:	:	PUNCT
eurjchem-1920	3	6	department	department	NOUN
eurjchem-1920	3	7	of	of	ADP
eurjchem-1920	3	8	chemistry	chemistry	NOUN
eurjchem-1920	3	9	,	,	PUNCT
eurjchem-1920	3	10	faculty	faculty	NOUN
eurjchem-1920	3	11	of	of	ADP
eurjchem-1920	3	12	arts	art	NOUN
eurjchem-1920	3	13	and	and	CCONJ
eurjchem-1920	3	14	science	science	PROPN
eurjchem-1920	3	15	,	,	PUNCT
eurjchem-1920	3	16	mersin	mersin	PROPN
eurjchem-1920	3	17	university	university	PROPN
eurjchem-1920	3	18	,	,	PUNCT
eurjchem-1920	3	19	mersin	mersin	PROPN
eurjchem-1920	3	20	,	,	PUNCT
eurjchem-1920	3	21	33343	33343	NUM
eurjchem-1920	3	22	,	,	PUNCT
eurjchem-1920	3	23	turkey	turkey	PROPN
eurjchem-1920	3	24	.	.	PUNCT
eurjchem-1920	4	1	tel	tel	ADP
eurjchem-1920	4	2	:	:	PUNCT
eurjchem-1920	4	3	+90.505.4574736	+90.505.4574736	NUM
eurjchem-1920	4	4	fax	fax	NOUN
eurjchem-1920	4	5	:	:	PUNCT
eurjchem-1920	4	6	+90.324.3610047	+90.324.3610047	NUM
eurjchem-1920	4	7	e	e	NOUN
eurjchem-1920	4	8	-	-	NOUN
eurjchem-1920	4	9	mail	mail	NOUN
eurjchem-1920	4	10	:	:	PUNCT
eurjchem-1920	4	11	immihansezen@gmail.com	immihansezen@gmail.com	X
eurjchem-1920	4	12	(	(	PUNCT
eurjchem-1920	4	13	i.s	i.s	PROPN
eurjchem-1920	4	14	.	.	PROPN
eurjchem-1920	4	15	aydogdu	aydogdu	PROPN
eurjchem-1920	4	16	)	)	PUNCT
eurjchem-1920	4	17	.	.	PUNCT
eurjchem-1920	5	1	10.5155	10.5155	NUM
eurjchem-1920	5	2	/	/	SYM
eurjchem-1920	5	3	eurjchem.10.4.323	eurjchem.10.4.323	NUM
eurjchem-1920	5	4	-	-	SYM
eurjchem-1920	5	5	335.1920	335.1920	NUM
eurjchem-1920	5	6	received	receive	VERB
eurjchem-1920	5	7	:	:	PUNCT
eurjchem-1920	5	8	24	24	NUM
eurjchem-1920	5	9	august	august	PROPN
eurjchem-1920	5	10	2019	2019	NUM
eurjchem-1920	5	11	received	receive	VERB
eurjchem-1920	5	12	in	in	ADP
eurjchem-1920	5	13	revised	revise	VERB
eurjchem-1920	5	14	form	form	NOUN
eurjchem-1920	5	15	:	:	PUNCT
eurjchem-1920	5	16	17	17	NUM
eurjchem-1920	5	17	october	october	PROPN
eurjchem-1920	5	18	2019	2019	NUM
eurjchem-1920	5	19	accepted	accept	VERB
eurjchem-1920	5	20	:	:	PUNCT
eurjchem-1920	5	21	22	22	NUM
eurjchem-1920	5	22	october	october	NOUN
eurjchem-1920	5	23	2019	2019	NUM
eurjchem-1920	5	24	published	publish	VERB
eurjchem-1920	5	25	online	online	ADV
eurjchem-1920	5	26	:	:	PUNCT
eurjchem-1920	5	27	31	31	NUM
eurjchem-1920	5	28	december	december	PROPN
eurjchem-1920	5	29	2019	2019	NUM
eurjchem-1920	5	30	printed	print	VERB
eurjchem-1920	5	31	:	:	PUNCT
eurjchem-1920	5	32	31	31	NUM
eurjchem-1920	5	33	december	december	PROPN
eurjchem-1920	5	34	2019	2019	NUM
eurjchem-1920	5	35	the	the	DET
eurjchem-1920	5	36	vibrational	vibrational	ADJ
eurjchem-1920	5	37	frequencies	frequency	NOUN
eurjchem-1920	5	38	,	,	PUNCT
eurjchem-1920	5	39	atomic	atomic	ADJ
eurjchem-1920	5	40	charges	charge	NOUN
eurjchem-1920	5	41	and	and	CCONJ
eurjchem-1920	5	42	the	the	DET
eurjchem-1920	5	43	related	related	ADJ
eurjchem-1920	5	44	properties	property	NOUN
eurjchem-1920	5	45	of	of	ADP
eurjchem-1920	5	46	the	the	DET
eurjchem-1920	5	47	2,2,2	2,2,2	NUM
eurjchem-1920	5	48	-	-	PUNCT
eurjchem-1920	5	49	trichloron	trichloron	NOUN
eurjchem-1920	5	50	,	,	PUNCT
eurjchem-1920	5	51	n	n	CCONJ
eurjchem-1920	5	52	-	-	PUNCT
eurjchem-1920	5	53	bis(2-(2,2,2	bis(2-(2,2,2	NOUN
eurjchem-1920	5	54	-	-	PUNCT
eurjchem-1920	5	55	trichloroacetamido)phenyl)acetamide	trichloroacetamido)phenyl)acetamide	NOUN
eurjchem-1920	5	56	(	(	PUNCT
eurjchem-1920	5	57	h2lnnn	h2lnnn	NOUN
eurjchem-1920	5	58	)	)	PUNCT
eurjchem-1920	5	59	were	be	AUX
eurjchem-1920	5	60	investi	investi	PROPN
eurjchem-1920	5	61	-	-	PUNCT
eurjchem-1920	5	62	gated	gate	VERB
eurjchem-1920	5	63	by	by	ADP
eurjchem-1920	5	64	abinitio	abinitio	DET
eurjchem-1920	5	65	hartree	hartree	ADV
eurjchem-1920	5	66	-	-	PUNCT
eurjchem-1920	5	67	fock	fock	ADJ
eurjchem-1920	5	68	(	(	PUNCT
eurjchem-1920	5	69	hf	hf	NOUN
eurjchem-1920	5	70	)	)	PUNCT
eurjchem-1920	5	71	and	and	CCONJ
eurjchem-1920	5	72	density	density	NOUN
eurjchem-1920	5	73	functional	functional	ADJ
eurjchem-1920	5	74	theory	theory	NOUN
eurjchem-1920	5	75	(	(	PUNCT
eurjchem-1920	5	76	dft	dft	NOUN
eurjchem-1920	5	77	)	)	PUNCT
eurjchem-1920	5	78	methods	method	NOUN
eurjchem-1920	5	79	such	such	ADJ
eurjchem-1920	5	80	as	as	ADP
eurjchem-1920	5	81	blyp	blyp	PROPN
eurjchem-1920	5	82	,	,	PUNCT
eurjchem-1920	5	83	b3lyp	b3lyp	PROPN
eurjchem-1920	5	84	,	,	PUNCT
eurjchem-1920	5	85	b3pw91	b3pw91	NOUN
eurjchem-1920	5	86	and	and	CCONJ
eurjchem-1920	5	87	mpw1pw91	mpw1pw91	NOUN
eurjchem-1920	5	88	functionals	functional	NOUN
eurjchem-1920	5	89	with	with	ADP
eurjchem-1920	5	90	6	6	NUM
eurjchem-1920	5	91	-	-	SYM
eurjchem-1920	5	92	31g(d	31g(d	NUM
eurjchem-1920	5	93	,	,	PUNCT
eurjchem-1920	5	94	p	p	NOUN
eurjchem-1920	5	95	)	)	PUNCT
eurjchem-1920	5	96	and	and	CCONJ
eurjchem-1920	5	97	6	6	NUM
eurjchem-1920	5	98	-	-	SYM
eurjchem-1920	5	99	311g(d	311g(d	NUM
eurjchem-1920	5	100	,	,	PUNCT
eurjchem-1920	5	101	p	p	NOUN
eurjchem-1920	5	102	)	)	PUNCT
eurjchem-1920	5	103	basis	basis	NOUN
eurjchem-1920	5	104	sets	set	NOUN
eurjchem-1920	5	105	.	.	PUNCT
eurjchem-1920	6	1	the	the	DET
eurjchem-1920	6	2	experimentally	experimentally	ADV
eurjchem-1920	6	3	determined	determined	ADJ
eurjchem-1920	6	4	parameters	parameter	NOUN
eurjchem-1920	6	5	were	be	AUX
eurjchem-1920	6	6	compared	compare	VERB
eurjchem-1920	6	7	with	with	ADP
eurjchem-1920	6	8	those	those	PRON
eurjchem-1920	6	9	calculated	calculate	VERB
eurjchem-1920	6	10	theoretically	theoretically	ADV
eurjchem-1920	6	11	and	and	CCONJ
eurjchem-1920	6	12	they	they	PRON
eurjchem-1920	6	13	were	be	AUX
eurjchem-1920	6	14	found	find	VERB
eurjchem-1920	6	15	to	to	PART
eurjchem-1920	6	16	complement	complement	VERB
eurjchem-1920	6	17	each	each	DET
eurjchem-1920	6	18	other	other	ADJ
eurjchem-1920	6	19	with	with	ADP
eurjchem-1920	6	20	a	a	DET
eurjchem-1920	6	21	very	very	ADV
eurjchem-1920	6	22	good	good	ADJ
eurjchem-1920	6	23	correlation	correlation	NOUN
eurjchem-1920	6	24	.	.	PUNCT
eurjchem-1920	7	1	the	the	DET
eurjchem-1920	7	2	theoretical	theoretical	ADJ
eurjchem-1920	7	3	vibrational	vibrational	ADJ
eurjchem-1920	7	4	spectrum	spectrum	NOUN
eurjchem-1920	7	5	of	of	ADP
eurjchem-1920	7	6	h2lnnn	h2lnnn	NOUN
eurjchem-1920	7	7	molecule	molecule	NOUN
eurjchem-1920	7	8	was	be	AUX
eurjchem-1920	7	9	interpreted	interpret	VERB
eurjchem-1920	7	10	by	by	ADP
eurjchem-1920	7	11	means	mean	NOUN
eurjchem-1920	7	12	of	of	ADP
eurjchem-1920	7	13	potential	potential	ADJ
eurjchem-1920	7	14	energy	energy	NOUN
eurjchem-1920	7	15	distributions	distribution	NOUN
eurjchem-1920	7	16	using	use	VERB
eurjchem-1920	7	17	the	the	DET
eurjchem-1920	7	18	sqm	sqm	NUM
eurjchem-1920	7	19	2.0	2.0	NUM
eurjchem-1920	7	20	program	program	NOUN
eurjchem-1920	7	21	.	.	PUNCT
eurjchem-1920	8	1	the	the	DET
eurjchem-1920	8	2	hirshfeld	hirshfeld	PROPN
eurjchem-1920	8	3	surface	surface	NOUN
eurjchem-1920	8	4	analysis	analysis	NOUN
eurjchem-1920	8	5	was	be	AUX
eurjchem-1920	8	6	carried	carry	VERB
eurjchem-1920	8	7	out	out	ADP
eurjchem-1920	8	8	to	to	PART
eurjchem-1920	8	9	discuss	discuss	VERB
eurjchem-1920	8	10	the	the	DET
eurjchem-1920	8	11	role	role	NOUN
eurjchem-1920	8	12	of	of	ADP
eurjchem-1920	8	13	the	the	DET
eurjchem-1920	8	14	hydrogen	hydrogen	NOUN
eurjchem-1920	8	15	bonds	bond	NOUN
eurjchem-1920	8	16	and	and	CCONJ
eurjchem-1920	8	17	other	other	ADJ
eurjchem-1920	8	18	intermolecular	intermolecular	ADJ
eurjchem-1920	8	19	contacts	contact	NOUN
eurjchem-1920	8	20	in	in	ADP
eurjchem-1920	8	21	crystal	crystal	PROPN
eurjchem-1920	8	22	lattice	lattice	PROPN
eurjchem-1920	8	23	.	.	PUNCT
eurjchem-1920	9	1	hirshfeld	hirshfeld	PROPN
eurjchem-1920	9	2	surface	surface	PROPN
eurjchem-1920	9	3	analysis	analysis	NOUN
eurjchem-1920	9	4	revealed	reveal	VERB
eurjchem-1920	9	5	the	the	DET
eurjchem-1920	9	6	occurrence	occurrence	NOUN
eurjchem-1920	9	7	of	of	ADP
eurjchem-1920	9	8	cl⋯h	cl⋯h	PROPN
eurjchem-1920	9	9	,	,	PUNCT
eurjchem-1920	9	10	cl⋯cl	cl⋯cl	NOUN
eurjchem-1920	9	11	,	,	PUNCT
eurjchem-1920	9	12	cl⋯c	cl⋯c	NOUN
eurjchem-1920	9	13	,	,	PUNCT
eurjchem-1920	9	14	h···h	h···h	PROPN
eurjchem-1920	9	15	,	,	PUNCT
eurjchem-1920	9	16	o⋯h	o⋯h	NOUN
eurjchem-1920	9	17	,	,	PUNCT
eurjchem-1920	9	18	c···h	c···h	PROPN
eurjchem-1920	9	19	and	and	CCONJ
eurjchem-1920	9	20	cl···π	cl···π	VERB
eurjchem-1920	9	21	interactions	interaction	NOUN
eurjchem-1920	9	22	that	that	PRON
eurjchem-1920	9	23	display	display	VERB
eurjchem-1920	9	24	an	an	DET
eurjchem-1920	9	25	important	important	ADJ
eurjchem-1920	9	26	role	role	NOUN
eurjchem-1920	9	27	on	on	ADP
eurjchem-1920	9	28	the	the	DET
eurjchem-1920	9	29	crystal	crystal	NOUN
eurjchem-1920	9	30	packing	packing	NOUN
eurjchem-1920	9	31	stabilization	stabilization	NOUN
eurjchem-1920	9	32	of	of	ADP
eurjchem-1920	9	33	the	the	DET
eurjchem-1920	9	34	compound	compound	NOUN
eurjchem-1920	9	35	.	.	PUNCT
eurjchem-1920	10	1	acetamide	acetamide	PROPN
eurjchem-1920	10	2	vibration	vibration	PROPN
eurjchem-1920	10	3	spectrum	spectrum	PROPN
eurjchem-1920	10	4	ab	ab	PROPN
eurjchem-1920	10	5	-	-	PUNCT
eurjchem-1920	10	6	initio	initio	NOUN
eurjchem-1920	10	7	calculations	calculation	NOUN
eurjchem-1920	10	8	redox	redox	VERB
eurjchem-1920	10	9	active	active	ADJ
eurjchem-1920	10	10	compound	compound	NOUN
eurjchem-1920	10	11	density	density	NOUN
eurjchem-1920	10	12	functional	functional	ADJ
eurjchem-1920	10	13	theory	theory	NOUN
eurjchem-1920	10	14	hirshfeld	hirshfeld	VERB
eurjchem-1920	10	15	surface	surface	NOUN
eurjchem-1920	10	16	analysis	analysis	NOUN
eurjchem-1920	10	17	cite	cite	VERB
eurjchem-1920	10	18	this	this	PRON
eurjchem-1920	10	19	:	:	PUNCT
eurjchem-1920	10	20	eur	eur	PROPN
eurjchem-1920	10	21	.	.	PUNCT
eurjchem-1920	11	1	j.	j.	PROPN
eurjchem-1920	11	2	chem	chem	PROPN
eurjchem-1920	11	3	.	.	PUNCT
eurjchem-1920	12	1	2019	2019	NUM
eurjchem-1920	12	2	,	,	PUNCT
eurjchem-1920	12	3	10(4	10(4	NUM
eurjchem-1920	12	4	)	)	PUNCT
eurjchem-1920	12	5	,	,	PUNCT
eurjchem-1920	12	6	323	323	NUM
eurjchem-1920	12	7	-	-	SYM
eurjchem-1920	12	8	335	335	NUM
eurjchem-1920	12	9	journal	journal	NOUN
eurjchem-1920	12	10	website	website	NOUN
eurjchem-1920	12	11	:	:	PUNCT
eurjchem-1920	12	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-1920	12	13	1	1	X
eurjchem-1920	12	14	.	.	X
eurjchem-1920	12	15	introduction	introduction	NOUN
eurjchem-1920	12	16	the	the	DET
eurjchem-1920	12	17	redox	redox	ADJ
eurjchem-1920	12	18	active	active	ADJ
eurjchem-1920	12	19	compounds	compound	NOUN
eurjchem-1920	12	20	containing	contain	VERB
eurjchem-1920	12	21	amide	amide	NOUN
eurjchem-1920	12	22	donors	donor	NOUN
eurjchem-1920	12	23	can	can	AUX
eurjchem-1920	12	24	be	be	AUX
eurjchem-1920	12	25	modified	modify	VERB
eurjchem-1920	12	26	according	accord	VERB
eurjchem-1920	12	27	to	to	ADP
eurjchem-1920	12	28	specific	specific	ADJ
eurjchem-1920	12	29	needs	need	NOUN
eurjchem-1920	12	30	and	and	CCONJ
eurjchem-1920	12	31	most	most	ADJ
eurjchem-1920	12	32	of	of	ADP
eurjchem-1920	12	33	them	they	PRON
eurjchem-1920	12	34	have	have	VERB
eurjchem-1920	12	35	catalytic	catalytic	ADJ
eurjchem-1920	12	36	activity	activity	NOUN
eurjchem-1920	12	37	[	[	X
eurjchem-1920	12	38	1	1	NUM
eurjchem-1920	12	39	-	-	SYM
eurjchem-1920	12	40	9	9	NUM
eurjchem-1920	12	41	]	]	PUNCT
eurjchem-1920	12	42	.	.	PUNCT
eurjchem-1920	13	1	so	so	ADV
eurjchem-1920	13	2	,	,	PUNCT
eurjchem-1920	13	3	in	in	ADP
eurjchem-1920	13	4	recent	recent	ADJ
eurjchem-1920	13	5	years	year	NOUN
eurjchem-1920	13	6	,	,	PUNCT
eurjchem-1920	13	7	most	most	ADJ
eurjchem-1920	13	8	of	of	ADP
eurjchem-1920	13	9	the	the	DET
eurjchem-1920	13	10	researchers	researcher	NOUN
eurjchem-1920	13	11	focused	focus	VERB
eurjchem-1920	13	12	on	on	ADP
eurjchem-1920	13	13	these	these	DET
eurjchem-1920	13	14	types	type	NOUN
eurjchem-1920	13	15	of	of	ADP
eurjchem-1920	13	16	compounds	compound	NOUN
eurjchem-1920	13	17	.	.	PUNCT
eurjchem-1920	14	1	numerous	numerous	ADJ
eurjchem-1920	14	2	studies	study	NOUN
eurjchem-1920	14	3	have	have	AUX
eurjchem-1920	14	4	been	be	AUX
eurjchem-1920	14	5	devoted	devote	VERB
eurjchem-1920	14	6	to	to	PART
eurjchem-1920	14	7	investigate	investigate	VERB
eurjchem-1920	14	8	how	how	SCONJ
eurjchem-1920	14	9	the	the	DET
eurjchem-1920	14	10	reactivity	reactivity	NOUN
eurjchem-1920	14	11	of	of	ADP
eurjchem-1920	14	12	transition	transition	NOUN
eurjchem-1920	14	13	metals	metal	NOUN
eurjchem-1920	14	14	is	be	AUX
eurjchem-1920	14	15	affected	affect	VERB
eurjchem-1920	14	16	by	by	ADP
eurjchem-1920	14	17	a	a	DET
eurjchem-1920	14	18	small	small	ADJ
eurjchem-1920	14	19	change	change	NOUN
eurjchem-1920	14	20	in	in	ADP
eurjchem-1920	14	21	the	the	DET
eurjchem-1920	14	22	electron	electron	NOUN
eurjchem-1920	14	23	donor	donor	NOUN
eurjchem-1920	14	24	property	property	NOUN
eurjchem-1920	14	25	of	of	ADP
eurjchem-1920	14	26	the	the	DET
eurjchem-1920	14	27	ligand	ligand	NOUN
eurjchem-1920	15	1	[	[	X
eurjchem-1920	15	2	3,4,6	3,4,6	NUM
eurjchem-1920	15	3	]	]	X
eurjchem-1920	15	4	.	.	PUNCT
eurjchem-1920	16	1	redox	redox	ADJ
eurjchem-1920	16	2	active	active	ADJ
eurjchem-1920	16	3	compounds	compound	NOUN
eurjchem-1920	16	4	have	have	VERB
eurjchem-1920	16	5	a	a	DET
eurjchem-1920	16	6	wide	wide	ADJ
eurjchem-1920	16	7	range	range	NOUN
eurjchem-1920	16	8	of	of	ADP
eurjchem-1920	16	9	uses	use	NOUN
eurjchem-1920	16	10	[	[	X
eurjchem-1920	16	11	2	2	NUM
eurjchem-1920	16	12	-	-	SYM
eurjchem-1920	16	13	20	20	NUM
eurjchem-1920	16	14	]	]	PUNCT
eurjchem-1920	16	15	.	.	PUNCT
eurjchem-1920	17	1	for	for	ADP
eurjchem-1920	17	2	complexes	complex	NOUN
eurjchem-1920	17	3	of	of	ADP
eurjchem-1920	17	4	these	these	DET
eurjchem-1920	17	5	compounds	compound	NOUN
eurjchem-1920	17	6	,	,	PUNCT
eurjchem-1920	17	7	a	a	DET
eurjchem-1920	17	8	detailed	detailed	ADJ
eurjchem-1920	17	9	spectroscopic	spectroscopic	NOUN
eurjchem-1920	17	10	,	,	PUNCT
eurjchem-1920	17	11	magnetic	magnetic	ADJ
eurjchem-1920	17	12	,	,	PUNCT
eurjchem-1920	17	13	structural	structural	ADJ
eurjchem-1920	17	14	and	and	CCONJ
eurjchem-1920	17	15	theoretical	theoretical	ADJ
eurjchem-1920	17	16	investigation	investigation	NOUN
eurjchem-1920	17	17	is	be	AUX
eurjchem-1920	17	18	used	use	VERB
eurjchem-1920	17	19	to	to	PART
eurjchem-1920	17	20	detect	detect	VERB
eurjchem-1920	17	21	formal	formal	ADJ
eurjchem-1920	17	22	oxidation	oxidation	NOUN
eurjchem-1920	17	23	states	state	NOUN
eurjchem-1920	17	24	in	in	ADP
eurjchem-1920	17	25	metal	metal	NOUN
eurjchem-1920	17	26	centers	center	NOUN
eurjchem-1920	17	27	.	.	PUNCT
eurjchem-1920	18	1	recent	recent	ADJ
eurjchem-1920	18	2	studies	study	NOUN
eurjchem-1920	18	3	have	have	AUX
eurjchem-1920	18	4	focused	focus	VERB
eurjchem-1920	18	5	on	on	ADP
eurjchem-1920	18	6	investigating	investigate	VERB
eurjchem-1920	18	7	the	the	DET
eurjchem-1920	18	8	importance	importance	NOUN
eurjchem-1920	18	9	of	of	ADP
eurjchem-1920	18	10	the	the	DET
eurjchem-1920	18	11	skeleton	skeleton	NOUN
eurjchem-1920	18	12	on	on	ADP
eurjchem-1920	18	13	unit	unit	NOUN
eurjchem-1920	18	14	reactivity	reactivity	NOUN
eurjchem-1920	18	15	rather	rather	ADV
eurjchem-1920	18	16	than	than	ADP
eurjchem-1920	18	17	understanding	understand	VERB
eurjchem-1920	18	18	the	the	DET
eurjchem-1920	18	19	electronic	electronic	ADJ
eurjchem-1920	18	20	structures	structure	NOUN
eurjchem-1920	18	21	of	of	ADP
eurjchem-1920	18	22	complexes	complex	NOUN
eurjchem-1920	18	23	.	.	PUNCT
eurjchem-1920	19	1	in	in	ADP
eurjchem-1920	19	2	the	the	DET
eurjchem-1920	19	3	light	light	NOUN
eurjchem-1920	19	4	of	of	ADP
eurjchem-1920	19	5	above	above	ADV
eurjchem-1920	19	6	-	-	PUNCT
eurjchem-1920	19	7	mentioned	mention	VERB
eurjchem-1920	19	8	information	information	NOUN
eurjchem-1920	19	9	,	,	PUNCT
eurjchem-1920	19	10	our	our	PRON
eurjchem-1920	19	11	research	research	NOUN
eurjchem-1920	19	12	group	group	NOUN
eurjchem-1920	19	13	focused	focus	VERB
eurjchem-1920	19	14	on	on	ADP
eurjchem-1920	19	15	the	the	DET
eurjchem-1920	19	16	study	study	NOUN
eurjchem-1920	19	17	of	of	ADP
eurjchem-1920	19	18	redox	redox	ADJ
eurjchem-1920	19	19	active	active	ADJ
eurjchem-1920	19	20	compounds	compound	NOUN
eurjchem-1920	19	21	.	.	PUNCT
eurjchem-1920	20	1	one	one	NUM
eurjchem-1920	20	2	of	of	ADP
eurjchem-1920	20	3	them	they	PRON
eurjchem-1920	20	4	is	be	AUX
eurjchem-1920	20	5	2,2,2	2,2,2	NUM
eurjchem-1920	20	6	-	-	PUNCT
eurjchem-1920	20	7	trichloro	trichloro	NUM
eurjchem-1920	20	8	-	-	PUNCT
eurjchem-1920	20	9	n	n	CCONJ
eurjchem-1920	20	10	,	,	PUNCT
eurjchem-1920	20	11	n	n	CCONJ
eurjchem-1920	20	12	-	-	PUNCT
eurjchem-1920	20	13	bis(2-(2,2,2	bis(2-(2,2,2	PROPN
eurjchem-1920	20	14	-	-	PUNCT
eurjchem-1920	20	15	trichloroacetamido	trichloroacetamido	NOUN
eurjchem-1920	20	16	)	)	PUNCT
eurjchem-1920	20	17	phenyl)acetamide	phenyl)acetamide	NOUN
eurjchem-1920	20	18	(	(	PUNCT
eurjchem-1920	20	19	h2lnnn	h2lnnn	PROPN
eurjchem-1920	20	20	)	)	PUNCT
eurjchem-1920	20	21	.	.	PUNCT
eurjchem-1920	21	1	the	the	DET
eurjchem-1920	21	2	crystal	crystal	NOUN
eurjchem-1920	21	3	structure	structure	NOUN
eurjchem-1920	21	4	of	of	ADP
eurjchem-1920	21	5	h2lnnn	h2lnnn	PROPN
eurjchem-1920	21	6	was	be	AUX
eurjchem-1920	21	7	obtained	obtain	VERB
eurjchem-1920	21	8	using	use	VERB
eurjchem-1920	21	9	single	single	ADJ
eurjchem-1920	21	10	crystal	crystal	NOUN
eurjchem-1920	21	11	x	x	PROPN
eurjchem-1920	21	12	-	-	NOUN
eurjchem-1920	21	13	ray	ray	NOUN
eurjchem-1920	21	14	diffraction	diffraction	NOUN
eurjchem-1920	21	15	studies	study	NOUN
eurjchem-1920	21	16	[	[	X
eurjchem-1920	21	17	21,22	21,22	X
eurjchem-1920	21	18	]	]	X
eurjchem-1920	21	19	.	.	PUNCT
eurjchem-1920	22	1	nonetheless	nonetheless	ADV
eurjchem-1920	22	2	,	,	PUNCT
eurjchem-1920	22	3	to	to	ADP
eurjchem-1920	22	4	the	the	DET
eurjchem-1920	22	5	best	good	ADJ
eurjchem-1920	22	6	of	of	ADP
eurjchem-1920	22	7	our	our	PRON
eurjchem-1920	22	8	knowledge	knowledge	NOUN
eurjchem-1920	22	9	,	,	PUNCT
eurjchem-1920	22	10	both	both	CCONJ
eurjchem-1920	22	11	abinitio	abinitio	ADP
eurjchem-1920	22	12	studies	study	NOUN
eurjchem-1920	22	13	of	of	ADP
eurjchem-1920	22	14	the	the	DET
eurjchem-1920	22	15	vibrational	vibrational	ADJ
eurjchem-1920	22	16	spectra	spectra	NOUN
eurjchem-1920	22	17	in	in	ADP
eurjchem-1920	22	18	the	the	DET
eurjchem-1920	22	19	gas	gas	NOUN
eurjchem-1920	22	20	phase	phase	NOUN
eurjchem-1920	22	21	and	and	CCONJ
eurjchem-1920	22	22	the	the	DET
eurjchem-1920	22	23	hirshfeld	hirshfeld	PROPN
eurjchem-1920	22	24	surface	surface	NOUN
eurjchem-1920	22	25	analysis	analysis	NOUN
eurjchem-1920	22	26	of	of	ADP
eurjchem-1920	22	27	h2lnnn	h2lnnn	NOUN
eurjchem-1920	22	28	have	have	AUX
eurjchem-1920	22	29	not	not	PART
eurjchem-1920	22	30	been	be	AUX
eurjchem-1920	22	31	reported	report	VERB
eurjchem-1920	22	32	previously	previously	ADV
eurjchem-1920	22	33	.	.	PUNCT
eurjchem-1920	23	1	thus	thus	ADV
eurjchem-1920	23	2	,	,	PUNCT
eurjchem-1920	23	3	we	we	PRON
eurjchem-1920	23	4	calculated	calculate	VERB
eurjchem-1920	23	5	the	the	DET
eurjchem-1920	23	6	geometric	geometric	ADJ
eurjchem-1920	23	7	parameters	parameter	NOUN
eurjchem-1920	23	8	and	and	CCONJ
eurjchem-1920	23	9	vibrational	vibrational	ADJ
eurjchem-1920	23	10	frequencies	frequency	NOUN
eurjchem-1920	23	11	of	of	ADP
eurjchem-1920	23	12	h2lnnn	h2lnnn	NOUN
eurjchem-1920	23	13	in	in	ADP
eurjchem-1920	23	14	the	the	DET
eurjchem-1920	23	15	ground	ground	NOUN
eurjchem-1920	23	16	state	state	NOUN
eurjchem-1920	23	17	to	to	PART
eurjchem-1920	23	18	distinguish	distinguish	VERB
eurjchem-1920	23	19	the	the	DET
eurjchem-1920	23	20	fundamentals	fundamental	NOUN
eurjchem-1920	23	21	from	from	ADP
eurjchem-1920	23	22	the	the	DET
eurjchem-1920	23	23	experimental	experimental	ADJ
eurjchem-1920	23	24	geometric	geometric	ADJ
eurjchem-1920	23	25	parameters	parameter	NOUN
eurjchem-1920	23	26	and	and	CCONJ
eurjchem-1920	23	27	vibrational	vibrational	ADJ
eurjchem-1920	23	28	frequencies	frequency	NOUN
eurjchem-1920	23	29	by	by	ADP
eurjchem-1920	23	30	hf	hf	PROPN
eurjchem-1920	23	31	,	,	PUNCT
eurjchem-1920	23	32	blyp	blyp	X
eurjchem-1920	23	33	,	,	PUNCT
eurjchem-1920	23	34	b3lyp	b3lyp	PROPN
eurjchem-1920	23	35	,	,	PUNCT
eurjchem-1920	23	36	b3pw91	b3pw91	NOUN
eurjchem-1920	23	37	and	and	CCONJ
eurjchem-1920	23	38	mpw1pw91	mpw1pw91	NOUN
eurjchem-1920	23	39	methods	method	NOUN
eurjchem-1920	23	40	with	with	ADP
eurjchem-1920	23	41	the	the	DET
eurjchem-1920	23	42	standard	standard	ADJ
eurjchem-1920	23	43	6	6	NUM
eurjchem-1920	23	44	-	-	PUNCT
eurjchem-1920	23	45	31g(d	31g(d	NUM
eurjchem-1920	23	46	,	,	PUNCT
eurjchem-1920	23	47	p	p	NOUN
eurjchem-1920	23	48	)	)	PUNCT
eurjchem-1920	23	49	and	and	CCONJ
eurjchem-1920	23	50	6	6	NUM
eurjchem-1920	23	51	-	-	SYM
eurjchem-1920	23	52	311g(d	311g(d	NUM
eurjchem-1920	23	53	,	,	PUNCT
eurjchem-1920	23	54	p	p	NOUN
eurjchem-1920	23	55	)	)	PUNCT
eurjchem-1920	23	56	basis	basis	NOUN
eurjchem-1920	23	57	sets	set	NOUN
eurjchem-1920	23	58	.	.	PUNCT
eurjchem-1920	24	1	a	a	DET
eurjchem-1920	24	2	detailed	detailed	ADJ
eurjchem-1920	24	3	interpretation	interpretation	NOUN
eurjchem-1920	24	4	of	of	ADP
eurjchem-1920	24	5	the	the	DET
eurjchem-1920	24	6	vibrational	vibrational	ADJ
eurjchem-1920	24	7	spectra	spectra	NOUN
eurjchem-1920	24	8	of	of	ADP
eurjchem-1920	24	9	h2lnnn	h2lnnn	NOUN
eurjchem-1920	24	10	molecule	molecule	NOUN
eurjchem-1920	24	11	has	have	AUX
eurjchem-1920	24	12	been	be	AUX
eurjchem-1920	24	13	made	make	VERB
eurjchem-1920	24	14	on	on	ADP
eurjchem-1920	24	15	the	the	DET
eurjchem-1920	24	16	basis	basis	NOUN
eurjchem-1920	24	17	of	of	ADP
eurjchem-1920	24	18	the	the	DET
eurjchem-1920	24	19	calculated	calculate	VERB
eurjchem-1920	24	20	potential	potential	ADJ
eurjchem-1920	24	21	energy	energy	NOUN
eurjchem-1920	24	22	distribution	distribution	NOUN
eurjchem-1920	24	23	(	(	PUNCT
eurjchem-1920	24	24	ped	ped	NOUN
eurjchem-1920	24	25	)	)	PUNCT
eurjchem-1920	24	26	.	.	PUNCT
eurjchem-1920	25	1	we	we	PRON
eurjchem-1920	25	2	also	also	ADV
eurjchem-1920	25	3	report	report	VERB
eurjchem-1920	25	4	detailed	detailed	ADJ
eurjchem-1920	25	5	analysis	analysis	NOUN
eurjchem-1920	25	6	of	of	ADP
eurjchem-1920	25	7	intermolecular	intermolecular	ADJ
eurjchem-1920	25	8	interactions	interaction	NOUN
eurjchem-1920	25	9	by	by	ADP
eurjchem-1920	25	10	hirshfeld	hirshfeld	PROPN
eurjchem-1920	25	11	surfaces	surface	NOUN
eurjchem-1920	25	12	analysis	analysis	NOUN
eurjchem-1920	25	13	.	.	PUNCT
eurjchem-1920	26	1	the	the	DET
eurjchem-1920	26	2	surfaces	surface	NOUN
eurjchem-1920	26	3	are	be	AUX
eurjchem-1920	26	4	mapped	map	VERB
eurjchem-1920	26	5	with	with	ADP
eurjchem-1920	26	6	dnorm	dnorm	NOUN
eurjchem-1920	26	7	,	,	PUNCT
eurjchem-1920	26	8	2d	2d	NOUN
eurjchem-1920	26	9	-	-	PUNCT
eurjchem-1920	26	10	fingerprint	fingerprint	NOUN
eurjchem-1920	26	11	plots	plot	NOUN
eurjchem-1920	26	12	,	,	PUNCT
eurjchem-1920	26	13	shape	shape	NOUN
eurjchem-1920	26	14	-	-	PUNCT
eurjchem-1920	26	15	index	index	NOUN
eurjchem-1920	26	16	and	and	CCONJ
eurjchem-1920	26	17	curvedness	curvedness	ADJ
eurjchem-1920	26	18	properties	property	NOUN
eurjchem-1920	26	19	.	.	PUNCT
eurjchem-1920	27	1	the	the	DET
eurjchem-1920	27	2	hirshfeld	hirshfeld	PROPN
eurjchem-1920	27	3	surface	surface	NOUN
eurjchem-1920	27	4	and	and	CCONJ
eurjchem-1920	27	5	associated	associated	ADJ
eurjchem-1920	27	6	fingerprint	fingerprint	NOUN
eurjchem-1920	27	7	plots	plot	NOUN
eurjchem-1920	27	8	of	of	ADP
eurjchem-1920	27	9	h2lnnn	h2lnnn	NOUN
eurjchem-1920	27	10	molecule	molecule	NOUN
eurjchem-1920	27	11	have	have	AUX
eurjchem-1920	27	12	also	also	ADV
eurjchem-1920	27	13	provided	provide	VERB
eurjchem-1920	27	14	a	a	DET
eurjchem-1920	27	15	platform	platform	NOUN
eurjchem-1920	27	16	for	for	ADP
eurjchem-1920	27	17	the	the	DET
eurjchem-1920	27	18	evaluation	evaluation	NOUN
eurjchem-1920	27	19	of	of	ADP
eurjchem-1920	27	20	the	the	DET
eurjchem-1920	27	21	contribution	contribution	NOUN
eurjchem-1920	27	22	of	of	ADP
eurjchem-1920	27	23	different	different	ADJ
eurjchem-1920	27	24	atom···atom	atom···atom	PROPN
eurjchem-1920	27	25	contacts	contact	NOUN
eurjchem-1920	27	26	,	,	PUNCT
eurjchem-1920	27	27	which	which	PRON
eurjchem-1920	27	28	contribute	contribute	VERB
eurjchem-1920	27	29	to	to	ADP
eurjchem-1920	27	30	the	the	DET
eurjchem-1920	27	31	packing	packing	NOUN
eurjchem-1920	27	32	of	of	ADP
eurjchem-1920	27	33	the	the	DET
eurjchem-1920	27	34	molecules	molecule	NOUN
eurjchem-1920	27	35	in	in	ADP
eurjchem-1920	27	36	solids	solid	NOUN
eurjchem-1920	27	37	.	.	PUNCT
eurjchem-1920	28	1	2	2	X
eurjchem-1920	28	2	.	.	X
eurjchem-1920	28	3	experimental	experimental	ADJ
eurjchem-1920	28	4	2.1	2.1	NUM
eurjchem-1920	28	5	.	.	PUNCT
eurjchem-1920	29	1	instrumentation	instrumentation	NOUN
eurjchem-1920	29	2	abstract	abstract	ADJ
eurjchem-1920	29	3	research	research	NOUN
eurjchem-1920	29	4	article	article	NOUN
eurjchem-1920	29	5	keywords	keyword	VERB
eurjchem-1920	29	6	european	european	PROPN
eurjchem-1920	29	7	journal	journal	PROPN
eurjchem-1920	29	8	of	of	ADP
eurjchem-1920	29	9	chemistry	chemistry	NOUN
eurjchem-1920	29	10	issn	issn	VERB
eurjchem-1920	29	11	2153	2153	NUM
eurjchem-1920	29	12	-	-	SYM
eurjchem-1920	29	13	2249	2249	NUM
eurjchem-1920	29	14	(	(	PUNCT
eurjchem-1920	29	15	print	print	NOUN
eurjchem-1920	29	16	)	)	PUNCT
eurjchem-1920	29	17	/	/	PUNCT
eurjchem-1920	29	18	issn	issn	PROPN
eurjchem-1920	29	19	2153	2153	NUM
eurjchem-1920	29	20	-	-	SYM
eurjchem-1920	29	21	2257	2257	NUM
eurjchem-1920	29	22	(	(	PUNCT
eurjchem-1920	29	23	online	online	ADJ
eurjchem-1920	29	24	)	)	PUNCT
eurjchem-1920	29	25	–	–	PUNCT
eurjchem-1920	29	26	copyright	copyright	NOUN
eurjchem-1920	29	27	©	©	PROPN
eurjchem-1920	29	28	2019	2019	NUM
eurjchem-1920	29	29	the	the	DET
eurjchem-1920	29	30	authors	author	NOUN
eurjchem-1920	29	31	–	–	PUNCT
eurjchem-1920	29	32	atlanta	atlanta	PROPN
eurjchem-1920	29	33	publishing	publishing	PROPN
eurjchem-1920	29	34	house	house	PROPN
eurjchem-1920	29	35	llc	llc	PROPN
eurjchem-1920	29	36	–	–	PUNCT
eurjchem-1920	29	37	printed	print	VERB
eurjchem-1920	29	38	in	in	ADP
eurjchem-1920	29	39	the	the	DET
eurjchem-1920	29	40	usa	usa	PROPN
eurjchem-1920	29	41	.	.	PUNCT
eurjchem-1920	30	1	this	this	DET
eurjchem-1920	30	2	work	work	NOUN
eurjchem-1920	30	3	is	be	AUX
eurjchem-1920	30	4	published	publish	VERB
eurjchem-1920	30	5	and	and	CCONJ
eurjchem-1920	30	6	licensed	license	VERB
eurjchem-1920	30	7	by	by	ADP
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eurjchem-1920	30	18	rights	right	NOUN
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eurjchem-1920	30	20	.	.	PUNCT
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eurjchem-1920	32	3	mailto:ilkay.gumus@mersin.edu.tr	mailto:ilkay.gumus@mersin.edu.tr	PROPN
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eurjchem-1920	32	5	http://www.eurjchem.com/	http://www.eurjchem.com/	PROPN
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eurjchem-1920	32	8	324	324	NUM
eurjchem-1920	32	9	aydogdu	aydogdu	ADV
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eurjchem-1920	32	12	.	.	PUNCT
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eurjchem-1920	32	14	european	european	PROPN
eurjchem-1920	32	15	journal	journal	PROPN
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eurjchem-1920	32	17	chemistry	chemistry	NOUN
eurjchem-1920	32	18	10	10	NUM
eurjchem-1920	32	19	(	(	PUNCT
eurjchem-1920	32	20	4	4	NUM
eurjchem-1920	32	21	)	)	PUNCT
eurjchem-1920	32	22	(	(	PUNCT
eurjchem-1920	32	23	2019	2019	NUM
eurjchem-1920	32	24	)	)	PUNCT
eurjchem-1920	32	25	323	323	NUM
eurjchem-1920	32	26	-	-	SYM
eurjchem-1920	32	27	335	335	NUM
eurjchem-1920	32	28	5001000150020002500300035004000	5001000150020002500300035004000	NUM
eurjchem-1920	32	29	r	r	NOUN
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eurjchem-1920	32	31	at	at	ADP
eurjchem-1920	32	32	iv	iv	NUM
eurjchem-1920	32	33	e	e	NOUN
eurjchem-1920	32	34	tr	tr	VERB
eurjchem-1920	32	35	an	an	DET
eurjchem-1920	32	36	sm	sm	NOUN
eurjchem-1920	32	37	itt	itt	INTJ
eurjchem-1920	32	38	an	an	DET
eurjchem-1920	32	39	ce	ce	PROPN
eurjchem-1920	32	40	,	,	PUNCT
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eurjchem-1920	32	43	.	.	PUNCT
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eurjchem-1920	33	5	,	,	PUNCT
eurjchem-1920	33	6	cm-1	cm-1	PUNCT
eurjchem-1920	33	7	(	(	PUNCT
eurjchem-1920	33	8	a	a	NOUN
eurjchem-1920	33	9	)	)	PUNCT
eurjchem-1920	33	10	(	(	PUNCT
eurjchem-1920	33	11	b	b	X
eurjchem-1920	33	12	)	)	PUNCT
eurjchem-1920	33	13	figure	figure	NOUN
eurjchem-1920	33	14	1	1	NUM
eurjchem-1920	33	15	.	.	PUNCT
eurjchem-1920	34	1	(	(	PUNCT
eurjchem-1920	34	2	a	a	X
eurjchem-1920	34	3	)	)	PUNCT
eurjchem-1920	34	4	experimental	experimental	ADJ
eurjchem-1920	34	5	and	and	CCONJ
eurjchem-1920	34	6	(	(	PUNCT
eurjchem-1920	34	7	b	b	NOUN
eurjchem-1920	34	8	)	)	PUNCT
eurjchem-1920	34	9	theoretical	theoretical	ADJ
eurjchem-1920	34	10	ft	ft	PROPN
eurjchem-1920	34	11	-	-	PUNCT
eurjchem-1920	34	12	ir	ir	NOUN
eurjchem-1920	34	13	spectrum	spectrum	NOUN
eurjchem-1920	34	14	of	of	ADP
eurjchem-1920	34	15	2,2,2	2,2,2	NUM
eurjchem-1920	34	16	-	-	PUNCT
eurjchem-1920	34	17	trichloro	trichloro	NUM
eurjchem-1920	34	18	-	-	PUNCT
eurjchem-1920	34	19	n	n	CCONJ
eurjchem-1920	34	20	,	,	PUNCT
eurjchem-1920	34	21	n	n	CCONJ
eurjchem-1920	34	22	-	-	PUNCT
eurjchem-1920	34	23	bis(2-(2,2,2	bis(2-(2,2,2	NOUN
eurjchem-1920	34	24	-	-	PUNCT
eurjchem-1920	34	25	trichloroacetamido)phenyl)acetamide	trichloroacetamido)phenyl)acetamide	NOUN
eurjchem-1920	34	26	compound	compound	NOUN
eurjchem-1920	34	27	.	.	PUNCT
eurjchem-1920	35	1	no2	no2	PROPN
eurjchem-1920	35	2	nh2	nh2	PROPN
eurjchem-1920	35	3	no2	no2	PROPN
eurjchem-1920	35	4	f	f	PROPN
eurjchem-1920	35	5	n	n	PROPN
eurjchem-1920	35	6	h	h	PROPN
eurjchem-1920	35	7	no2	no2	PROPN
eurjchem-1920	35	8	no2	no2	PROPN
eurjchem-1920	35	9	dmso	dmso	PROPN
eurjchem-1920	35	10	kotbu	kotbu	PROPN
eurjchem-1920	35	11	n	n	PROPN
eurjchem-1920	35	12	h	h	PROPN
eurjchem-1920	35	13	no2	no2	NOUN
eurjchem-1920	35	14	no2	no2	PROPN
eurjchem-1920	35	15	n	n	CCONJ
eurjchem-1920	35	16	h	h	NOUN
eurjchem-1920	35	17	nh2	nh2	PROPN
eurjchem-1920	35	18	nh2	nh2	PROPN
eurjchem-1920	35	19	pd	pd	PROPN
eurjchem-1920	35	20	/	/	SYM
eurjchem-1920	35	21	c	c	PROPN
eurjchem-1920	35	22	h2	h2	PROPN
eurjchem-1920	35	23	n	n	CCONJ
eurjchem-1920	35	24	h	h	NOUN
eurjchem-1920	35	25	nh2nh2	nh2nh2	NOUN
eurjchem-1920	35	26	cl	cl	VERB
eurjchem-1920	35	27	o	o	PROPN
eurjchem-1920	36	1	n	n	CCONJ
eurjchem-1920	36	2	hn	hn	PROPN
eurjchem-1920	36	3	o	o	NOUN
eurjchem-1920	36	4	nho	nho	NOUN
eurjchem-1920	36	5	3	3	NUM
eurjchem-1920	36	6	cl	cl	NOUN
eurjchem-1920	36	7	cl	cl	NOUN
eurjchem-1920	36	8	cl	cl	NOUN
eurjchem-1920	36	9	cl	cl	NOUN
eurjchem-1920	36	10	clcl	clcl	NOUN
eurjchem-1920	36	11	o	o	NOUN
eurjchem-1920	36	12	cl	cl	NOUN
eurjchem-1920	36	13	cl	cl	NOUN
eurjchem-1920	36	14	cl	cl	NOUN
eurjchem-1920	36	15	cl	cl	NOUN
eurjchem-1920	36	16	cl	cl	NOUN
eurjchem-1920	36	17	cl	cl	NOUN
eurjchem-1920	36	18	scheme	scheme	NOUN
eurjchem-1920	36	19	1	1	NUM
eurjchem-1920	36	20	.	.	PUNCT
eurjchem-1920	37	1	the	the	DET
eurjchem-1920	37	2	synthetic	synthetic	ADJ
eurjchem-1920	37	3	route	route	NOUN
eurjchem-1920	37	4	for	for	ADP
eurjchem-1920	37	5	2,2,2	2,2,2	NUM
eurjchem-1920	37	6	-	-	PUNCT
eurjchem-1920	37	7	trichloro	trichloro	NUM
eurjchem-1920	37	8	-	-	PUNCT
eurjchem-1920	37	9	n	n	CCONJ
eurjchem-1920	37	10	,	,	PUNCT
eurjchem-1920	37	11	n	n	CCONJ
eurjchem-1920	37	12	-	-	PUNCT
eurjchem-1920	37	13	bis(2-(2,2,2	bis(2-(2,2,2	NOUN
eurjchem-1920	37	14	-	-	PUNCT
eurjchem-1920	37	15	trichloroacetamido)phenyl)acetamide	trichloroacetamido)phenyl)acetamide	NOUN
eurjchem-1920	37	16	.	.	PUNCT
eurjchem-1920	38	1	the	the	DET
eurjchem-1920	38	2	nmr	nmr	NOUN
eurjchem-1920	38	3	spectra	spectra	NOUN
eurjchem-1920	38	4	were	be	AUX
eurjchem-1920	38	5	recorded	record	VERB
eurjchem-1920	38	6	in	in	ADP
eurjchem-1920	38	7	acetone	acetone	NOUN
eurjchem-1920	38	8	-	-	PUNCT
eurjchem-1920	38	9	d6	d6	NOUN
eurjchem-1920	38	10	solvent	solvent	NOUN
eurjchem-1920	38	11	on	on	ADP
eurjchem-1920	38	12	bruker	bruker	PROPN
eurjchem-1920	38	13	avance	avance	PROPN
eurjchem-1920	38	14	iii	iii	PROPN
eurjchem-1920	38	15	400	400	NUM
eurjchem-1920	38	16	mhz	mhz	NOUN
eurjchem-1920	38	17	nanobay	nanobay	NOUN
eurjchem-1920	38	18	ft	ft	NOUN
eurjchem-1920	38	19	-	-	PUNCT
eurjchem-1920	38	20	nmr	nmr	NOUN
eurjchem-1920	38	21	spectrophotometer	spectrophotometer	NOUN
eurjchem-1920	38	22	using	use	VERB
eurjchem-1920	38	23	tetramethylsilane	tetramethylsilane	NOUN
eurjchem-1920	38	24	as	as	ADP
eurjchem-1920	38	25	an	an	DET
eurjchem-1920	38	26	internal	internal	ADJ
eurjchem-1920	38	27	standard	standard	NOUN
eurjchem-1920	38	28	.	.	PUNCT
eurjchem-1920	39	1	the	the	DET
eurjchem-1920	39	2	room	room	NOUN
eurjchem-1920	39	3	-	-	PUNCT
eurjchem-1920	39	4	temperature	temperature	NOUN
eurjchem-1920	39	5	-	-	PUNCT
eurjchem-1920	39	6	attenuated	attenuate	VERB
eurjchem-1920	39	7	total	total	ADJ
eurjchem-1920	39	8	reflection	reflection	NOUN
eurjchem-1920	39	9	fourier	fourier	NOUN
eurjchem-1920	39	10	transform	transform	NOUN
eurjchem-1920	39	11	infrared	infrared	ADJ
eurjchem-1920	39	12	(	(	PUNCT
eurjchem-1920	39	13	ft	ft	NOUN
eurjchem-1920	39	14	-	-	PUNCT
eurjchem-1920	39	15	ir	ir	PROPN
eurjchem-1920	39	16	atr	atr	PROPN
eurjchem-1920	39	17	)	)	PUNCT
eurjchem-1920	39	18	spectrum	spectrum	NOUN
eurjchem-1920	39	19	of	of	ADP
eurjchem-1920	39	20	2,2,2	2,2,2	NUM
eurjchem-1920	39	21	-	-	PUNCT
eurjchem-1920	39	22	trichloro	trichloro	NUM
eurjchem-1920	39	23	-	-	PUNCT
eurjchem-1920	39	24	n	n	CCONJ
eurjchem-1920	39	25	,	,	PUNCT
eurjchem-1920	39	26	nbis(2-(2,2,2	nbis(2-(2,2,2	NUM
eurjchem-1920	39	27	-	-	PUNCT
eurjchem-1920	39	28	trichloroacetamido)phenyl)acetamide	trichloroacetamido)phenyl)acetamide	NOUN
eurjchem-1920	39	29	compound	compound	NOUN
eurjchem-1920	39	30	was	be	AUX
eurjchem-1920	39	31	recorded	record	VERB
eurjchem-1920	39	32	using	use	VERB
eurjchem-1920	39	33	a	a	DET
eurjchem-1920	39	34	perkin	perkin	PROPN
eurjchem-1920	39	35	elmer	elmer	PROPN
eurjchem-1920	39	36	spectrum	spectrum	PROPN
eurjchem-1920	39	37	100	100	NUM
eurjchem-1920	39	38	series	series	NOUN
eurjchem-1920	39	39	spectrometer	spectrometer	NOUN
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eurjchem-1920	39	41	a	a	DET
eurjchem-1920	39	42	atr	atr	NOUN
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eurjchem-1920	39	44	(	(	PUNCT
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eurjchem-1920	39	46	-	-	SYM
eurjchem-1920	39	47	525	525	NUM
eurjchem-1920	39	48	cm-1	cm-1	NOUN
eurjchem-1920	39	49	;	;	PUNCT
eurjchem-1920	39	50	number	number	NOUN
eurjchem-1920	39	51	of	of	ADP
eurjchem-1920	39	52	scans	scan	NOUN
eurjchem-1920	39	53	:	:	PUNCT
eurjchem-1920	39	54	200	200	NUM
eurjchem-1920	39	55	;	;	PUNCT
eurjchem-1920	39	56	resolution	resolution	NOUN
eurjchem-1920	39	57	:	:	PUNCT
eurjchem-1920	39	58	1	1	NUM
eurjchem-1920	39	59	cm-1	cm-1	NOUN
eurjchem-1920	39	60	)	)	PUNCT
eurjchem-1920	39	61	(	(	PUNCT
eurjchem-1920	39	62	figure	figure	NOUN
eurjchem-1920	39	63	1	1	NUM
eurjchem-1920	39	64	)	)	PUNCT
eurjchem-1920	39	65	.	.	PUNCT
eurjchem-1920	40	1	2.2	2.2	NUM
eurjchem-1920	40	2	.	.	PUNCT
eurjchem-1920	41	1	synthesis	synthesis	VERB
eurjchem-1920	41	2	the	the	DET
eurjchem-1920	41	3	solvents	solvent	NOUN
eurjchem-1920	41	4	and	and	CCONJ
eurjchem-1920	41	5	chemicals	chemical	NOUN
eurjchem-1920	41	6	used	use	VERB
eurjchem-1920	41	7	in	in	ADP
eurjchem-1920	41	8	the	the	DET
eurjchem-1920	41	9	study	study	NOUN
eurjchem-1920	41	10	were	be	AUX
eurjchem-1920	41	11	commercially	commercially	ADV
eurjchem-1920	41	12	obtained	obtain	VERB
eurjchem-1920	41	13	from	from	ADP
eurjchem-1920	41	14	companies	company	NOUN
eurjchem-1920	41	15	such	such	ADJ
eurjchem-1920	41	16	as	as	ADP
eurjchem-1920	41	17	merck	merck	PROPN
eurjchem-1920	41	18	,	,	PUNCT
eurjchem-1920	41	19	aldrich	aldrich	PROPN
eurjchem-1920	41	20	and	and	CCONJ
eurjchem-1920	41	21	alfa	alfa	PROPN
eurjchem-1920	41	22	-	-	PUNCT
eurjchem-1920	41	23	aesar	aesar	PROPN
eurjchem-1920	41	24	and	and	CCONJ
eurjchem-1920	41	25	were	be	AUX
eurjchem-1920	41	26	used	use	VERB
eurjchem-1920	41	27	without	without	ADP
eurjchem-1920	41	28	further	further	ADJ
eurjchem-1920	41	29	purification	purification	NOUN
eurjchem-1920	41	30	.	.	PUNCT
eurjchem-1920	42	1	precursor	precursor	NOUN
eurjchem-1920	42	2	materials	material	NOUN
eurjchem-1920	42	3	bis(2	bis(2	NOUN
eurjchem-1920	42	4	-	-	PUNCT
eurjchem-1920	42	5	nitrophenyl)amine	nitrophenyl)amine	PROPN
eurjchem-1920	42	6	and	and	CCONJ
eurjchem-1920	42	7	bis(2	bis(2	NOUN
eurjchem-1920	42	8	-	-	PUNCT
eurjchem-1920	42	9	amino	amino	NOUN
eurjchem-1920	42	10	phenyl)amine	phenyl)amine	PROPN
eurjchem-1920	42	11	were	be	AUX
eurjchem-1920	42	12	prepared	prepare	VERB
eurjchem-1920	42	13	according	accord	VERB
eurjchem-1920	42	14	to	to	ADP
eurjchem-1920	42	15	the	the	DET
eurjchem-1920	42	16	previously	previously	ADV
eurjchem-1920	42	17	published	publish	VERB
eurjchem-1920	42	18	method	method	NOUN
eurjchem-1920	42	19	(	(	PUNCT
eurjchem-1920	42	20	scheme	scheme	NOUN
eurjchem-1920	42	21	1	1	NUM
eurjchem-1920	42	22	)	)	PUNCT
eurjchem-1920	43	1	[	[	X
eurjchem-1920	43	2	21	21	NUM
eurjchem-1920	43	3	-	-	SYM
eurjchem-1920	43	4	24	24	NUM
eurjchem-1920	43	5	]	]	PUNCT
eurjchem-1920	43	6	.	.	PUNCT
eurjchem-1920	44	1	a	a	DET
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eurjchem-1920	44	7	(	(	PUNCT
eurjchem-1920	44	8	10	10	NUM
eurjchem-1920	44	9	mmol	mmol	NOUN
eurjchem-1920	44	10	)	)	PUNCT
eurjchem-1920	44	11	in	in	ADP
eurjchem-1920	44	12	acetonitrile	acetonitrile	NOUN
eurjchem-1920	44	13	(	(	PUNCT
eurjchem-1920	44	14	50	50	NUM
eurjchem-1920	44	15	ml	ml	NOUN
eurjchem-1920	44	16	)	)	PUNCT
eurjchem-1920	44	17	was	be	AUX
eurjchem-1920	44	18	cooled	cool	VERB
eurjchem-1920	44	19	to	to	ADP
eurjchem-1920	44	20	0	0	NUM
eurjchem-1920	44	21	°	°	ADP
eurjchem-1920	44	22	c	c	NOUN
eurjchem-1920	44	23	under	under	ADP
eurjchem-1920	44	24	nitrogen	nitrogen	NOUN
eurjchem-1920	44	25	atmosphere	atmosphere	NOUN
eurjchem-1920	44	26	.	.	PUNCT
eurjchem-1920	45	1	2019	2019	NUM
eurjchem-1920	45	2	–	–	PUNCT
eurjchem-1920	45	3	european	european	ADJ
eurjchem-1920	45	4	journal	journal	NOUN
eurjchem-1920	45	5	of	of	ADP
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eurjchem-1920	45	7	–	–	PUNCT
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eurjchem-1920	45	15	/	/	SYM
eurjchem-1920	45	16	eurjchem.10.4.323	eurjchem.10.4.323	NOUN
eurjchem-1920	45	17	-	-	SYM
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eurjchem-1920	45	19	aydogdu	aydogdu	NOUN
eurjchem-1920	45	20	et	et	PROPN
eurjchem-1920	45	21	al	al	PROPN
eurjchem-1920	45	22	.	.	PUNCT
eurjchem-1920	45	23	/	/	SYM
eurjchem-1920	45	24	european	european	PROPN
eurjchem-1920	45	25	journal	journal	PROPN
eurjchem-1920	45	26	of	of	ADP
eurjchem-1920	45	27	chemistry	chemistry	NOUN
eurjchem-1920	45	28	10	10	NUM
eurjchem-1920	45	29	(	(	PUNCT
eurjchem-1920	45	30	4	4	NUM
eurjchem-1920	45	31	)	)	PUNCT
eurjchem-1920	45	32	(	(	PUNCT
eurjchem-1920	45	33	2019	2019	NUM
eurjchem-1920	45	34	)	)	PUNCT
eurjchem-1920	45	35	323	323	NUM
eurjchem-1920	45	36	-	-	SYM
eurjchem-1920	45	37	335	335	NUM
eurjchem-1920	45	38	325	325	NUM
eurjchem-1920	45	39	(	(	PUNCT
eurjchem-1920	45	40	a	a	NOUN
eurjchem-1920	45	41	)	)	PUNCT
eurjchem-1920	45	42	(	(	PUNCT
eurjchem-1920	45	43	b	b	X
eurjchem-1920	45	44	)	)	PUNCT
eurjchem-1920	45	45	figure	figure	NOUN
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eurjchem-1920	45	47	.	.	PUNCT
eurjchem-1920	46	1	the	the	DET
eurjchem-1920	46	2	optimized	optimize	VERB
eurjchem-1920	46	3	geometry	geometry	NOUN
eurjchem-1920	46	4	of	of	ADP
eurjchem-1920	46	5	h2lnnn	h2lnnn	NOUN
eurjchem-1920	46	6	molecule	molecule	NOUN
eurjchem-1920	46	7	calculated	calculate	VERB
eurjchem-1920	46	8	at	at	ADP
eurjchem-1920	46	9	b3lyp/6	b3lyp/6	PROPN
eurjchem-1920	46	10	-	-	PUNCT
eurjchem-1920	46	11	311	311	NUM
eurjchem-1920	46	12	g	g	NOUN
eurjchem-1920	46	13	(	(	PUNCT
eurjchem-1920	46	14	d	d	PROPN
eurjchem-1920	46	15	,	,	PUNCT
eurjchem-1920	46	16	p	p	NOUN
eurjchem-1920	46	17	)	)	PUNCT
eurjchem-1920	46	18	level	level	NOUN
eurjchem-1920	46	19	(	(	PUNCT
eurjchem-1920	46	20	a	a	NOUN
eurjchem-1920	46	21	)	)	PUNCT
eurjchem-1920	46	22	and	and	CCONJ
eurjchem-1920	46	23	a	a	DET
eurjchem-1920	46	24	view	view	NOUN
eurjchem-1920	46	25	of	of	ADP
eurjchem-1920	46	26	the	the	DET
eurjchem-1920	46	27	molecular	molecular	ADJ
eurjchem-1920	46	28	structure	structure	NOUN
eurjchem-1920	46	29	of	of	ADP
eurjchem-1920	46	30	h2lnnn	h2lnnn	ADJ
eurjchem-1920	46	31	molecule	molecule	NOUN
eurjchem-1920	46	32	with	with	ADP
eurjchem-1920	46	33	displacement	displacement	ADJ
eurjchem-1920	46	34	ellipsoids	ellipsoid	NOUN
eurjchem-1920	46	35	drawn	draw	VERB
eurjchem-1920	46	36	at	at	ADP
eurjchem-1920	46	37	the	the	DET
eurjchem-1920	46	38	50	50	NUM
eurjchem-1920	46	39	%	%	NOUN
eurjchem-1920	46	40	probability	probability	NOUN
eurjchem-1920	46	41	level	level	NOUN
eurjchem-1920	46	42	(	(	PUNCT
eurjchem-1920	46	43	b	b	NOUN
eurjchem-1920	46	44	)	)	PUNCT
eurjchem-1920	47	1	[	[	X
eurjchem-1920	47	2	21	21	NUM
eurjchem-1920	47	3	]	]	PUNCT
eurjchem-1920	47	4	.	.	PUNCT
eurjchem-1920	48	1	then	then	ADV
eurjchem-1920	48	2	,	,	PUNCT
eurjchem-1920	48	3	bis(2	bis(2	NOUN
eurjchem-1920	48	4	-	-	PUNCT
eurjchem-1920	48	5	aminophenyl	aminophenyl	PROPN
eurjchem-1920	48	6	)	)	PUNCT
eurjchem-1920	48	7	amine	amine	NOUN
eurjchem-1920	48	8	(	(	PUNCT
eurjchem-1920	48	9	5	5	NUM
eurjchem-1920	48	10	mmol	mmol	NOUN
eurjchem-1920	48	11	)	)	PUNCT
eurjchem-1920	48	12	was	be	AUX
eurjchem-1920	48	13	slowly	slowly	ADV
eurjchem-1920	48	14	added	add	VERB
eurjchem-1920	48	15	to	to	ADP
eurjchem-1920	48	16	this	this	DET
eurjchem-1920	48	17	cold	cold	ADJ
eurjchem-1920	48	18	solution	solution	NOUN
eurjchem-1920	48	19	over	over	ADP
eurjchem-1920	48	20	3	3	NUM
eurjchem-1920	48	21	hrs	hrs	NOUN
eurjchem-1920	48	22	.	.	PUNCT
eurjchem-1920	49	1	the	the	DET
eurjchem-1920	49	2	mixture	mixture	NOUN
eurjchem-1920	49	3	was	be	AUX
eurjchem-1920	49	4	stirred	stir	VERB
eurjchem-1920	49	5	at	at	ADP
eurjchem-1920	49	6	0	0	NUM
eurjchem-1920	49	7	°	°	ADP
eurjchem-1920	49	8	c	c	NOUN
eurjchem-1920	49	9	for	for	ADP
eurjchem-1920	49	10	3	3	NUM
eurjchem-1920	49	11	hrs	hrs	NOUN
eurjchem-1920	49	12	and	and	CCONJ
eurjchem-1920	49	13	the	the	DET
eurjchem-1920	49	14	mixture	mixture	NOUN
eurjchem-1920	49	15	temperature	temperature	NOUN
eurjchem-1920	49	16	was	be	AUX
eurjchem-1920	49	17	allowed	allow	VERB
eurjchem-1920	49	18	to	to	PART
eurjchem-1920	49	19	slowly	slowly	ADV
eurjchem-1920	49	20	rise	rise	VERB
eurjchem-1920	49	21	to	to	ADP
eurjchem-1920	49	22	room	room	NOUN
eurjchem-1920	49	23	temperature	temperature	NOUN
eurjchem-1920	49	24	.	.	PUNCT
eurjchem-1920	50	1	the	the	DET
eurjchem-1920	50	2	mixture	mixture	NOUN
eurjchem-1920	50	3	was	be	AUX
eurjchem-1920	50	4	stirred	stir	VERB
eurjchem-1920	50	5	at	at	ADP
eurjchem-1920	50	6	room	room	NOUN
eurjchem-1920	50	7	temperature	temperature	NOUN
eurjchem-1920	50	8	for	for	ADP
eurjchem-1920	50	9	24	24	NUM
eurjchem-1920	50	10	hrs	hrs	NOUN
eurjchem-1920	50	11	and	and	CCONJ
eurjchem-1920	50	12	the	the	DET
eurjchem-1920	50	13	solvent	solvent	NOUN
eurjchem-1920	50	14	was	be	AUX
eurjchem-1920	50	15	removed	remove	VERB
eurjchem-1920	50	16	under	under	ADP
eurjchem-1920	50	17	vacuum	vacuum	NOUN
eurjchem-1920	50	18	.	.	PUNCT
eurjchem-1920	51	1	the	the	DET
eurjchem-1920	51	2	final	final	ADJ
eurjchem-1920	51	3	product	product	NOUN
eurjchem-1920	51	4	was	be	AUX
eurjchem-1920	51	5	crystallized	crystallize	VERB
eurjchem-1920	51	6	by	by	ADP
eurjchem-1920	51	7	slow	slow	ADJ
eurjchem-1920	51	8	evaporation	evaporation	NOUN
eurjchem-1920	51	9	of	of	ADP
eurjchem-1920	51	10	the	the	DET
eurjchem-1920	51	11	concentrated	concentrated	ADJ
eurjchem-1920	51	12	solution	solution	NOUN
eurjchem-1920	51	13	in	in	ADP
eurjchem-1920	51	14	hot	hot	ADJ
eurjchem-1920	51	15	acetone	acetone	NOUN
eurjchem-1920	51	16	(	(	PUNCT
eurjchem-1920	51	17	scheme	scheme	NOUN
eurjchem-1920	51	18	1	1	NUM
eurjchem-1920	51	19	)	)	PUNCT
eurjchem-1920	52	1	[	[	X
eurjchem-1920	52	2	21,22	21,22	X
eurjchem-1920	52	3	]	]	X
eurjchem-1920	52	4	.	.	PUNCT
eurjchem-1920	53	1	2,2,2	2,2,2	NUM
eurjchem-1920	53	2	-	-	PUNCT
eurjchem-1920	53	3	trichloro	trichloro	NUM
eurjchem-1920	53	4	-	-	PUNCT
eurjchem-1920	53	5	n	n	CCONJ
eurjchem-1920	53	6	,	,	PUNCT
eurjchem-1920	53	7	n	n	CCONJ
eurjchem-1920	53	8	-	-	PUNCT
eurjchem-1920	53	9	bis(2-(2,2,2	bis(2-(2,2,2	NOUN
eurjchem-1920	53	10	-	-	PUNCT
eurjchem-1920	53	11	trichloro	trichloro	NUM
eurjchem-1920	53	12	acetamido)phenyl	acetamido)phenyl	NOUN
eurjchem-1920	53	13	)	)	PUNCT
eurjchem-1920	53	14	acetamide	acetamide	NOUN
eurjchem-1920	53	15	(	(	PUNCT
eurjchem-1920	53	16	h2lnnn	h2lnnn	NOUN
eurjchem-1920	53	17	):	):	PUNCT
eurjchem-1920	53	18	color	color	NOUN
eurjchem-1920	53	19	:	:	PUNCT
eurjchem-1920	53	20	white	white	ADJ
eurjchem-1920	53	21	.	.	PUNCT
eurjchem-1920	54	1	yield	yield	NOUN
eurjchem-1920	54	2	:	:	PUNCT
eurjchem-1920	54	3	43	43	NUM
eurjchem-1920	54	4	%	%	NOUN
eurjchem-1920	54	5	.	.	PUNCT
eurjchem-1920	55	1	1h	1h	NUM
eurjchem-1920	55	2	nmr	nmr	NOUN
eurjchem-1920	55	3	(	(	PUNCT
eurjchem-1920	55	4	400	400	NUM
eurjchem-1920	55	5	mhz	mhz	NOUN
eurjchem-1920	55	6	,	,	PUNCT
eurjchem-1920	55	7	acetone	acetone	NOUN
eurjchem-1920	55	8	-	-	PUNCT
eurjchem-1920	55	9	d6	d6	NOUN
eurjchem-1920	55	10	,	,	PUNCT
eurjchem-1920	55	11	δ	δ	PROPN
eurjchem-1920	55	12	,	,	PUNCT
eurjchem-1920	55	13	ppm	ppm	NUM
eurjchem-1920	55	14	):	):	PUNCT
eurjchem-1920	55	15	10.23	10.23	NUM
eurjchem-1920	55	16	(	(	PUNCT
eurjchem-1920	55	17	s	s	PROPN
eurjchem-1920	55	18	,	,	PUNCT
eurjchem-1920	55	19	2h	2h	NUM
eurjchem-1920	55	20	,	,	PUNCT
eurjchem-1920	55	21	nh(co	nh(co	NOUN
eurjchem-1920	55	22	)	)	PUNCT
eurjchem-1920	55	23	)	)	PUNCT
eurjchem-1920	55	24	,	,	PUNCT
eurjchem-1920	55	25	7.82	7.82	NUM
eurjchem-1920	55	26	-	-	SYM
eurjchem-1920	55	27	7.42	7.42	NUM
eurjchem-1920	55	28	(	(	PUNCT
eurjchem-1920	55	29	m	m	PROPN
eurjchem-1920	55	30	,	,	PUNCT
eurjchem-1920	55	31	8h	8h	PROPN
eurjchem-1920	55	32	,	,	PUNCT
eurjchem-1920	55	33	ar	ar	NOUN
eurjchem-1920	55	34	-	-	NOUN
eurjchem-1920	55	35	h	h	NOUN
eurjchem-1920	55	36	)	)	PUNCT
eurjchem-1920	55	37	.	.	PUNCT
eurjchem-1920	56	1	2.3	2.3	NUM
eurjchem-1920	56	2	.	.	PUNCT
eurjchem-1920	57	1	calculation	calculation	NOUN
eurjchem-1920	57	2	details	detail	NOUN
eurjchem-1920	57	3	the	the	DET
eurjchem-1920	57	4	gaussian	gaussian	ADJ
eurjchem-1920	57	5	16w	16w	NUM
eurjchem-1920	57	6	program	program	NOUN
eurjchem-1920	57	7	package	package	NOUN
eurjchem-1920	57	8	on	on	ADP
eurjchem-1920	57	9	a	a	DET
eurjchem-1920	57	10	double	double	ADJ
eurjchem-1920	57	11	xeon/3.2	xeon/3.2	NOUN
eurjchem-1920	57	12	ghz	ghz	NOUN
eurjchem-1920	57	13	processor	processor	NOUN
eurjchem-1920	57	14	with	with	ADP
eurjchem-1920	57	15	16	16	NUM
eurjchem-1920	57	16	gb	gb	NOUN
eurjchem-1920	57	17	ram	ram	NOUN
eurjchem-1920	57	18	was	be	AUX
eurjchem-1920	57	19	operated	operate	VERB
eurjchem-1920	57	20	to	to	PART
eurjchem-1920	57	21	obtain	obtain	VERB
eurjchem-1920	57	22	all	all	DET
eurjchem-1920	57	23	calculations	calculation	NOUN
eurjchem-1920	58	1	[	[	X
eurjchem-1920	58	2	25	25	NUM
eurjchem-1920	58	3	]	]	PUNCT
eurjchem-1920	58	4	.	.	PUNCT
eurjchem-1920	59	1	blyp	blyp	PROPN
eurjchem-1920	59	2	,	,	PUNCT
eurjchem-1920	59	3	b3lyp	b3lyp	PROPN
eurjchem-1920	59	4	,	,	PUNCT
eurjchem-1920	59	5	b3pw91	b3pw91	NOUN
eurjchem-1920	59	6	,	,	PUNCT
eurjchem-1920	59	7	mpw1pw91	mpw1pw91	NOUN
eurjchem-1920	59	8	and	and	CCONJ
eurjchem-1920	59	9	hf	hf	ADJ
eurjchem-1920	59	10	methods	method	NOUN
eurjchem-1920	59	11	with	with	ADP
eurjchem-1920	59	12	the	the	DET
eurjchem-1920	59	13	standard	standard	ADJ
eurjchem-1920	59	14	6	6	NUM
eurjchem-1920	59	15	-	-	PUNCT
eurjchem-1920	59	16	31g(d	31g(d	NUM
eurjchem-1920	59	17	,	,	PUNCT
eurjchem-1920	59	18	p	p	NOUN
eurjchem-1920	59	19	)	)	PUNCT
eurjchem-1920	59	20	and	and	CCONJ
eurjchem-1920	59	21	6	6	NUM
eurjchem-1920	59	22	-	-	SYM
eurjchem-1920	59	23	311g(d	311g(d	NUM
eurjchem-1920	59	24	,	,	PUNCT
eurjchem-1920	59	25	p	p	NOUN
eurjchem-1920	59	26	)	)	PUNCT
eurjchem-1920	59	27	basis	basis	NOUN
eurjchem-1920	59	28	sets	set	NOUN
eurjchem-1920	59	29	were	be	AUX
eurjchem-1920	59	30	applied	apply	VERB
eurjchem-1920	59	31	to	to	PART
eurjchem-1920	59	32	optimize	optimize	VERB
eurjchem-1920	59	33	the	the	DET
eurjchem-1920	59	34	molecular	molecular	ADJ
eurjchem-1920	59	35	structure	structure	NOUN
eurjchem-1920	59	36	of	of	ADP
eurjchem-1920	59	37	2,2,2trichloro	2,2,2trichloro	NUM
eurjchem-1920	59	38	-	-	PUNCT
eurjchem-1920	59	39	n	n	CCONJ
eurjchem-1920	59	40	,	,	PUNCT
eurjchem-1920	59	41	n	n	CCONJ
eurjchem-1920	59	42	-	-	PUNCT
eurjchem-1920	59	43	bis(2-(2	bis(2-(2	ADJ
eurjchem-1920	59	44	,	,	PUNCT
eurjchem-1920	59	45	2	2	NUM
eurjchem-1920	59	46	,	,	PUNCT
eurjchem-1920	59	47	2	2	NUM
eurjchem-1920	59	48	-	-	PUNCT
eurjchem-1920	59	49	trichloroacetamido)phenyl	trichloroacetamido)phenyl	NOUN
eurjchem-1920	59	50	)	)	PUNCT
eurjchem-1920	59	51	acetamide	acetamide	NOUN
eurjchem-1920	59	52	molecule	molecule	NOUN
eurjchem-1920	59	53	in	in	ADP
eurjchem-1920	59	54	the	the	DET
eurjchem-1920	59	55	ground	ground	NOUN
eurjchem-1920	59	56	state	state	NOUN
eurjchem-1920	59	57	.	.	PUNCT
eurjchem-1920	60	1	these	these	DET
eurjchem-1920	60	2	methods	method	NOUN
eurjchem-1920	60	3	were	be	AUX
eurjchem-1920	60	4	also	also	ADV
eurjchem-1920	60	5	used	use	VERB
eurjchem-1920	60	6	to	to	PART
eurjchem-1920	60	7	calculate	calculate	VERB
eurjchem-1920	60	8	the	the	DET
eurjchem-1920	60	9	vibrational	vibrational	ADJ
eurjchem-1920	60	10	frequencies	frequency	NOUN
eurjchem-1920	60	11	.	.	PUNCT
eurjchem-1920	61	1	the	the	DET
eurjchem-1920	61	2	frequency	frequency	NOUN
eurjchem-1920	61	3	values	value	NOUN
eurjchem-1920	61	4	computed	compute	VERB
eurjchem-1920	61	5	at	at	ADP
eurjchem-1920	61	6	these	these	DET
eurjchem-1920	61	7	levels	level	NOUN
eurjchem-1920	61	8	contain	contain	VERB
eurjchem-1920	61	9	known	know	VERB
eurjchem-1920	61	10	systematic	systematic	ADJ
eurjchem-1920	61	11	errors	error	NOUN
eurjchem-1920	61	12	[	[	X
eurjchem-1920	61	13	26	26	NUM
eurjchem-1920	61	14	]	]	PUNCT
eurjchem-1920	61	15	.	.	PUNCT
eurjchem-1920	62	1	scaling	scale	VERB
eurjchem-1920	62	2	factor	factor	NOUN
eurjchem-1920	62	3	values	value	NOUN
eurjchem-1920	62	4	of	of	ADP
eurjchem-1920	62	5	0.9614	0.9614	NUM
eurjchem-1920	62	6	,	,	PUNCT
eurjchem-1920	62	7	0.9679	0.9679	NUM
eurjchem-1920	62	8	,	,	PUNCT
eurjchem-1920	62	9	0.9573	0.9573	NUM
eurjchem-1920	62	10	,	,	PUNCT
eurjchem-1920	62	11	0.9631	0.9631	NUM
eurjchem-1920	62	12	,	,	PUNCT
eurjchem-1920	62	13	0.9945	0.9945	NUM
eurjchem-1920	62	14	,	,	PUNCT
eurjchem-1920	62	15	0.9934	0.9934	NUM
eurjchem-1920	62	16	,	,	PUNCT
eurjchem-1920	62	17	0.8992	0.8992	NUM
eurjchem-1920	62	18	,	,	PUNCT
eurjchem-1920	62	19	0.9051	0.9051	NUM
eurjchem-1920	62	20	,	,	PUNCT
eurjchem-1920	62	21	0.9500	0.9500	NUM
eurjchem-1920	62	22	and	and	CCONJ
eurjchem-1920	62	23	0.9567	0.9567	NUM
eurjchem-1920	62	24	for	for	ADP
eurjchem-1920	62	25	b3lyp/6	b3lyp/6	NOUN
eurjchem-1920	62	26	-	-	NOUN
eurjchem-1920	62	27	31g(d	31g(d	PROPN
eurjchem-1920	62	28	,	,	PUNCT
eurjchem-1920	62	29	p	p	NOUN
eurjchem-1920	62	30	)	)	PUNCT
eurjchem-1920	62	31	,	,	PUNCT
eurjchem-1920	62	32	b3lyp/6	b3lyp/6	PROPN
eurjchem-1920	62	33	-	-	NOUN
eurjchem-1920	62	34	311g(d	311g(d	NUM
eurjchem-1920	62	35	,	,	PUNCT
eurjchem-1920	62	36	p	p	NOUN
eurjchem-1920	62	37	)	)	PUNCT
eurjchem-1920	62	38	,	,	PUNCT
eurjchem-1920	62	39	b3pw91/6	b3pw91/6	PROPN
eurjchem-1920	62	40	-	-	SYM
eurjchem-1920	62	41	31g(d	31g(d	NUM
eurjchem-1920	62	42	,	,	PUNCT
eurjchem-1920	62	43	p	p	NOUN
eurjchem-1920	62	44	)	)	PUNCT
eurjchem-1920	62	45	,	,	PUNCT
eurjchem-1920	62	46	b3pw91/6	b3pw91/6	PROPN
eurjchem-1920	62	47	-	-	SYM
eurjchem-1920	62	48	311g(d	311g(d	NUM
eurjchem-1920	62	49	,	,	PUNCT
eurjchem-1920	62	50	p	p	NOUN
eurjchem-1920	62	51	)	)	PUNCT
eurjchem-1920	62	52	,	,	PUNCT
eurjchem-1920	62	53	blyp/6	blyp/6	PROPN
eurjchem-1920	62	54	-	-	PUNCT
eurjchem-1920	62	55	31g(d	31g(d	PROPN
eurjchem-1920	62	56	,	,	PUNCT
eurjchem-1920	62	57	p	p	NOUN
eurjchem-1920	62	58	)	)	PUNCT
eurjchem-1920	62	59	,	,	PUNCT
eurjchem-1920	62	60	blyp/6	blyp/6	PROPN
eurjchem-1920	62	61	-	-	SYM
eurjchem-1920	62	62	311g(d	311g(d	PROPN
eurjchem-1920	62	63	,	,	PUNCT
eurjchem-1920	62	64	p	p	NOUN
eurjchem-1920	62	65	)	)	PUNCT
eurjchem-1920	62	66	,	,	PUNCT
eurjchem-1920	62	67	hf/6	hf/6	PROPN
eurjchem-1920	62	68	-	-	PUNCT
eurjchem-1920	62	69	31g(d	31g(d	NUM
eurjchem-1920	62	70	,	,	PUNCT
eurjchem-1920	62	71	p	p	NOUN
eurjchem-1920	62	72	)	)	PUNCT
eurjchem-1920	62	73	,	,	PUNCT
eurjchem-1920	62	74	hf/6	hf/6	NOUN
eurjchem-1920	62	75	-	-	PUNCT
eurjchem-1920	62	76	311g(d	311g(d	NUM
eurjchem-1920	62	77	,	,	PUNCT
eurjchem-1920	62	78	p	p	NOUN
eurjchem-1920	62	79	)	)	PUNCT
eurjchem-1920	62	80	,	,	PUNCT
eurjchem-1920	62	81	mpw1pw91/6	mpw1pw91/6	PROPN
eurjchem-1920	62	82	-	-	PUNCT
eurjchem-1920	62	83	31g(d	31g(d	PROPN
eurjchem-1920	62	84	,	,	PUNCT
eurjchem-1920	62	85	p	p	NOUN
eurjchem-1920	62	86	)	)	PUNCT
eurjchem-1920	62	87	and	and	CCONJ
eurjchem-1920	62	88	mpw1pw91/6	mpw1pw91/6	PROPN
eurjchem-1920	62	89	-	-	PUNCT
eurjchem-1920	62	90	311g(d	311g(d	PROPN
eurjchem-1920	62	91	,	,	PUNCT
eurjchem-1920	62	92	p	p	NOUN
eurjchem-1920	62	93	)	)	PUNCT
eurjchem-1920	62	94	,	,	PUNCT
eurjchem-1920	62	95	respectively	respectively	ADV
eurjchem-1920	62	96	,	,	PUNCT
eurjchem-1920	62	97	can	can	AUX
eurjchem-1920	62	98	be	be	AUX
eurjchem-1920	62	99	used	use	VERB
eurjchem-1920	62	100	to	to	PART
eurjchem-1920	62	101	correct	correct	VERB
eurjchem-1920	62	102	these	these	DET
eurjchem-1920	62	103	discrepancies	discrepancy	NOUN
eurjchem-1920	62	104	[	[	X
eurjchem-1920	62	105	27	27	NUM
eurjchem-1920	62	106	-	-	SYM
eurjchem-1920	62	107	33	33	NUM
eurjchem-1920	62	108	]	]	PUNCT
eurjchem-1920	62	109	.	.	PUNCT
eurjchem-1920	63	1	also	also	ADV
eurjchem-1920	63	2	,	,	PUNCT
eurjchem-1920	63	3	optimal	optimal	ADJ
eurjchem-1920	63	4	scaling	scaling	NOUN
eurjchem-1920	63	5	factors	factor	NOUN
eurjchem-1920	63	6	were	be	AUX
eurjchem-1920	63	7	calculated	calculate	VERB
eurjchem-1920	63	8	for	for	ADP
eurjchem-1920	63	9	all	all	DET
eurjchem-1920	63	10	analyzed	analyze	VERB
eurjchem-1920	63	11	methods	method	NOUN
eurjchem-1920	63	12	.	.	PUNCT
eurjchem-1920	64	1	the	the	DET
eurjchem-1920	64	2	gaussview	gaussview	NOUN
eurjchem-1920	64	3	6.0	6.0	NUM
eurjchem-1920	64	4	graphical	graphical	ADJ
eurjchem-1920	64	5	interface	interface	NOUN
eurjchem-1920	64	6	of	of	ADP
eurjchem-1920	64	7	the	the	DET
eurjchem-1920	64	8	gaussian	gaussian	ADJ
eurjchem-1920	64	9	program	program	NOUN
eurjchem-1920	64	10	,	,	PUNCT
eurjchem-1920	64	11	which	which	PRON
eurjchem-1920	64	12	is	be	AUX
eurjchem-1920	64	13	an	an	DET
eurjchem-1920	64	14	animation	animation	NOUN
eurjchem-1920	64	15	option	option	NOUN
eurjchem-1920	64	16	that	that	PRON
eurjchem-1920	64	17	provides	provide	VERB
eurjchem-1920	64	18	a	a	DET
eurjchem-1920	64	19	visual	visual	ADJ
eurjchem-1920	64	20	representation	representation	NOUN
eurjchem-1920	64	21	of	of	ADP
eurjchem-1920	64	22	the	the	DET
eurjchem-1920	64	23	shape	shape	NOUN
eurjchem-1920	64	24	of	of	ADP
eurjchem-1920	64	25	the	the	DET
eurjchem-1920	64	26	modes	mode	NOUN
eurjchem-1920	64	27	of	of	ADP
eurjchem-1920	64	28	vibration	vibration	NOUN
eurjchem-1920	64	29	,	,	PUNCT
eurjchem-1920	64	30	provides	provide	VERB
eurjchem-1920	64	31	a	a	DET
eurjchem-1920	64	32	way	way	NOUN
eurjchem-1920	64	33	of	of	ADP
eurjchem-1920	64	34	assigning	assign	VERB
eurjchem-1920	64	35	the	the	DET
eurjchem-1920	64	36	calculated	calculated	ADJ
eurjchem-1920	64	37	wavenumbers	wavenumber	NOUN
eurjchem-1920	64	38	[	[	X
eurjchem-1920	64	39	34	34	NUM
eurjchem-1920	64	40	]	]	PUNCT
eurjchem-1920	64	41	.	.	PUNCT
eurjchem-1920	65	1	the	the	DET
eurjchem-1920	65	2	sqm	sqm	NUM
eurjchem-1920	65	3	procedure	procedure	NOUN
eurjchem-1920	65	4	has	have	AUX
eurjchem-1920	65	5	been	be	AUX
eurjchem-1920	65	6	widely	widely	ADV
eurjchem-1920	65	7	used	use	VERB
eurjchem-1920	65	8	in	in	ADP
eurjchem-1920	65	9	the	the	DET
eurjchem-1920	65	10	assignment	assignment	NOUN
eurjchem-1920	65	11	of	of	ADP
eurjchem-1920	65	12	bands	band	NOUN
eurjchem-1920	65	13	of	of	ADP
eurjchem-1920	65	14	vibrational	vibrational	ADJ
eurjchem-1920	65	15	spectra	spectra	NOUN
eurjchem-1920	65	16	due	due	ADP
eurjchem-1920	65	17	to	to	ADP
eurjchem-1920	65	18	being	be	AUX
eurjchem-1920	65	19	a	a	DET
eurjchem-1920	65	20	highly	highly	ADV
eurjchem-1920	65	21	successful	successful	ADJ
eurjchem-1920	65	22	and	and	CCONJ
eurjchem-1920	65	23	well	well	ADV
eurjchem-1920	65	24	established	establish	VERB
eurjchem-1920	65	25	technique	technique	NOUN
eurjchem-1920	65	26	in	in	ADP
eurjchem-1920	65	27	refining	refine	VERB
eurjchem-1920	65	28	the	the	DET
eurjchem-1920	65	29	computerized	computerized	ADJ
eurjchem-1920	65	30	vibration	vibration	NOUN
eurjchem-1920	65	31	frequencies	frequency	NOUN
eurjchem-1920	65	32	to	to	PART
eurjchem-1920	65	33	match	match	VERB
eurjchem-1920	65	34	the	the	DET
eurjchem-1920	65	35	experimental	experimental	ADJ
eurjchem-1920	65	36	values	value	NOUN
eurjchem-1920	65	37	better	well	ADV
eurjchem-1920	65	38	[	[	X
eurjchem-1920	65	39	35	35	NUM
eurjchem-1920	65	40	]	]	PUNCT
eurjchem-1920	65	41	.	.	PUNCT
eurjchem-1920	66	1	so	so	ADV
eurjchem-1920	66	2	,	,	PUNCT
eurjchem-1920	66	3	the	the	DET
eurjchem-1920	66	4	vibrational	vibrational	ADJ
eurjchem-1920	66	5	modes	mode	NOUN
eurjchem-1920	66	6	were	be	AUX
eurjchem-1920	66	7	determined	determine	VERB
eurjchem-1920	66	8	according	accord	VERB
eurjchem-1920	66	9	to	to	ADP
eurjchem-1920	66	10	the	the	DET
eurjchem-1920	66	11	potential	potential	ADJ
eurjchem-1920	66	12	energy	energy	NOUN
eurjchem-1920	66	13	distribution	distribution	NOUN
eurjchem-1920	66	14	analysis	analysis	NOUN
eurjchem-1920	66	15	using	use	VERB
eurjchem-1920	66	16	the	the	DET
eurjchem-1920	66	17	sqm	sqm	NUM
eurjchem-1920	66	18	program	program	NOUN
eurjchem-1920	66	19	[	[	X
eurjchem-1920	66	20	36	36	NUM
eurjchem-1920	66	21	]	]	PUNCT
eurjchem-1920	66	22	.	.	PUNCT
eurjchem-1920	67	1	using	use	VERB
eurjchem-1920	67	2	the	the	DET
eurjchem-1920	67	3	pavf	pavf	NOUN
eurjchem-1920	67	4	1.0	1.0	NUM
eurjchem-1920	67	5	program	program	NOUN
eurjchem-1920	67	6	,	,	PUNCT
eurjchem-1920	67	7	the	the	DET
eurjchem-1920	67	8	performance	performance	NOUN
eurjchem-1920	67	9	of	of	ADP
eurjchem-1920	67	10	the	the	DET
eurjchem-1920	67	11	used	use	VERB
eurjchem-1920	67	12	method	method	NOUN
eurjchem-1920	67	13	was	be	AUX
eurjchem-1920	67	14	quantitatively	quantitatively	ADV
eurjchem-1920	67	15	characterized	characterize	VERB
eurjchem-1920	67	16	[	[	PUNCT
eurjchem-1920	67	17	37	37	NUM
eurjchem-1920	67	18	]	]	PUNCT
eurjchem-1920	67	19	.	.	PUNCT
eurjchem-1920	68	1	the	the	DET
eurjchem-1920	68	2	population	population	NOUN
eurjchem-1920	68	3	analysis	analysis	NOUN
eurjchem-1920	68	4	has	have	AUX
eurjchem-1920	68	5	also	also	ADV
eurjchem-1920	68	6	been	be	AUX
eurjchem-1920	68	7	performed	perform	VERB
eurjchem-1920	68	8	by	by	ADP
eurjchem-1920	68	9	the	the	DET
eurjchem-1920	68	10	natural	natural	ADJ
eurjchem-1920	68	11	bond	bond	NOUN
eurjchem-1920	68	12	orbital	orbital	ADJ
eurjchem-1920	68	13	method	method	NOUN
eurjchem-1920	68	14	[	[	X
eurjchem-1920	68	15	38	38	NUM
eurjchem-1920	68	16	]	]	PUNCT
eurjchem-1920	68	17	at	at	ADP
eurjchem-1920	68	18	b3lyp	b3lyp	PROPN
eurjchem-1920	68	19	,	,	PUNCT
eurjchem-1920	68	20	blyp	blyp	X
eurjchem-1920	68	21	,	,	PUNCT
eurjchem-1920	68	22	b3pw91	b3pw91	NOUN
eurjchem-1920	68	23	,	,	PUNCT
eurjchem-1920	68	24	mpw1pw91	mpw1pw91	NOUN
eurjchem-1920	68	25	and	and	CCONJ
eurjchem-1920	68	26	hf	hf	ADJ
eurjchem-1920	68	27	/6	/6	NOUN
eurjchem-1920	68	28	-	-	PUNCT
eurjchem-1920	68	29	31g(d	31g(d	PROPN
eurjchem-1920	68	30	,	,	PUNCT
eurjchem-1920	68	31	p	p	NOUN
eurjchem-1920	68	32	)	)	PUNCT
eurjchem-1920	68	33	and	and	CCONJ
eurjchem-1920	68	34	6	6	NUM
eurjchem-1920	68	35	-	-	SYM
eurjchem-1920	68	36	311g(d	311g(d	NUM
eurjchem-1920	68	37	,	,	PUNCT
eurjchem-1920	68	38	p	p	NOUN
eurjchem-1920	68	39	)	)	PUNCT
eurjchem-1920	68	40	level	level	NOUN
eurjchem-1920	68	41	of	of	ADP
eurjchem-1920	68	42	theory	theory	NOUN
eurjchem-1920	68	43	using	use	VERB
eurjchem-1920	68	44	the	the	DET
eurjchem-1920	68	45	natural	natural	ADJ
eurjchem-1920	68	46	bond	bond	NOUN
eurjchem-1920	68	47	orbital	orbital	NOUN
eurjchem-1920	68	48	(	(	PUNCT
eurjchem-1920	68	49	nbo	nbo	NOUN
eurjchem-1920	68	50	)	)	PUNCT
eurjchem-1920	68	51	program	program	NOUN
eurjchem-1920	68	52	[	[	X
eurjchem-1920	68	53	39	39	NUM
eurjchem-1920	68	54	]	]	PUNCT
eurjchem-1920	68	55	under	under	ADP
eurjchem-1920	68	56	the	the	DET
eurjchem-1920	68	57	gaussian	gaussian	ADJ
eurjchem-1920	68	58	16w	16w	NUM
eurjchem-1920	68	59	program	program	NOUN
eurjchem-1920	68	60	package	package	NOUN
eurjchem-1920	68	61	.	.	PUNCT
eurjchem-1920	69	1	2.4	2.4	NUM
eurjchem-1920	69	2	.	.	PUNCT
eurjchem-1920	70	1	hirshfeld	hirshfeld	PROPN
eurjchem-1920	70	2	surfaces	surface	VERB
eurjchem-1920	70	3	analysis	analysis	NOUN
eurjchem-1920	70	4	analysis	analysis	NOUN
eurjchem-1920	70	5	of	of	ADP
eurjchem-1920	70	6	hirshfeld	hirshfeld	ADJ
eurjchem-1920	70	7	surfaces	surface	NOUN
eurjchem-1920	70	8	and	and	CCONJ
eurjchem-1920	70	9	their	their	PRON
eurjchem-1920	70	10	associated	associated	ADJ
eurjchem-1920	70	11	two	two	NUM
eurjchem-1920	70	12	dimensional	dimensional	ADJ
eurjchem-1920	70	13	fingerprint	fingerprint	NOUN
eurjchem-1920	70	14	plots	plot	NOUN
eurjchem-1920	70	15	of	of	ADP
eurjchem-1920	70	16	2,2,2	2,2,2	NUM
eurjchem-1920	70	17	-	-	PUNCT
eurjchem-1920	70	18	trichloro	trichloro	NUM
eurjchem-1920	70	19	-	-	PUNCT
eurjchem-1920	70	20	n	n	CCONJ
eurjchem-1920	70	21	,	,	PUNCT
eurjchem-1920	70	22	n	n	CCONJ
eurjchem-1920	70	23	-	-	PUNCT
eurjchem-1920	70	24	bis(2(2,2,2	bis(2(2,2,2	NOUN
eurjchem-1920	70	25	-	-	PUNCT
eurjchem-1920	70	26	trichloroacetamido)phenyl)acetamide	trichloroacetamido)phenyl)acetamide	NOUN
eurjchem-1920	70	27	molecule	molecule	NOUN
eurjchem-1920	70	28	were	be	AUX
eurjchem-1920	70	29	calculated	calculate	VERB
eurjchem-1920	70	30	by	by	ADP
eurjchem-1920	70	31	using	use	VERB
eurjchem-1920	70	32	the	the	DET
eurjchem-1920	70	33	crystalexplorer	crystalexplorer	NOUN
eurjchem-1920	70	34	17	17	NUM
eurjchem-1920	71	1	[	[	X
eurjchem-1920	71	2	40	40	NUM
eurjchem-1920	71	3	]	]	PUNCT
eurjchem-1920	71	4	.	.	PUNCT
eurjchem-1920	72	1	the	the	DET
eurjchem-1920	72	2	hirshfeld	hirshfeld	PROPN
eurjchem-1920	72	3	surfaces	surface	NOUN
eurjchem-1920	72	4	are	be	AUX
eurjchem-1920	72	5	mapped	map	VERB
eurjchem-1920	72	6	with	with	ADP
eurjchem-1920	72	7	different	different	ADJ
eurjchem-1920	72	8	properties	property	NOUN
eurjchem-1920	72	9	dnorm	dnorm	VERB
eurjchem-1920	72	10	,	,	PUNCT
eurjchem-1920	72	11	shape	shape	NOUN
eurjchem-1920	72	12	index	index	NOUN
eurjchem-1920	72	13	and	and	CCONJ
eurjchem-1920	72	14	curvedness	curvedness	ADJ
eurjchem-1920	72	15	.	.	PUNCT
eurjchem-1920	73	1	the	the	DET
eurjchem-1920	73	2	dnorm	dnorm	NOUN
eurjchem-1920	73	3	is	be	AUX
eurjchem-1920	73	4	normalized	normalize	VERB
eurjchem-1920	73	5	contact	contact	NOUN
eurjchem-1920	73	6	distance	distance	NOUN
eurjchem-1920	73	7	,	,	PUNCT
eurjchem-1920	73	8	defined	define	VERB
eurjchem-1920	73	9	in	in	ADP
eurjchem-1920	73	10	terms	term	NOUN
eurjchem-1920	73	11	of	of	ADP
eurjchem-1920	73	12	de	de	X
eurjchem-1920	73	13	,	,	PUNCT
eurjchem-1920	73	14	di	di	NOUN
eurjchem-1920	73	15	and	and	CCONJ
eurjchem-1920	73	16	the	the	DET
eurjchem-1920	73	17	vdw	vdw	NOUN
eurjchem-1920	73	18	radii	radius	NOUN
eurjchem-1920	73	19	of	of	ADP
eurjchem-1920	73	20	the	the	DET
eurjchem-1920	73	21	atoms	atom	NOUN
eurjchem-1920	73	22	.	.	PUNCT
eurjchem-1920	74	1	the	the	DET
eurjchem-1920	74	2	combination	combination	NOUN
eurjchem-1920	74	3	of	of	ADP
eurjchem-1920	74	4	de	de	X
eurjchem-1920	74	5	and	and	CCONJ
eurjchem-1920	74	6	di	di	NOUN
eurjchem-1920	74	7	in	in	ADP
eurjchem-1920	74	8	the	the	DET
eurjchem-1920	74	9	form	form	NOUN
eurjchem-1920	74	10	of	of	ADP
eurjchem-1920	74	11	a	a	DET
eurjchem-1920	74	12	2d	2d	NUM
eurjchem-1920	74	13	fingerprint	fingerprint	NOUN
eurjchem-1920	74	14	plot	plot	NOUN
eurjchem-1920	74	15	displays	display	VERB
eurjchem-1920	74	16	the	the	DET
eurjchem-1920	74	17	summary	summary	NOUN
eurjchem-1920	74	18	of	of	ADP
eurjchem-1920	74	19	intermolecular	intermolecular	ADJ
eurjchem-1920	74	20	contacts	contact	NOUN
eurjchem-1920	74	21	in	in	ADP
eurjchem-1920	74	22	the	the	DET
eurjchem-1920	74	23	crystal	crystal	NOUN
eurjchem-1920	74	24	.	.	PUNCT
eurjchem-1920	75	1	3	3	X
eurjchem-1920	75	2	.	.	NOUN
eurjchem-1920	75	3	results	result	NOUN
eurjchem-1920	75	4	and	and	CCONJ
eurjchem-1920	75	5	discussion	discussion	NOUN
eurjchem-1920	75	6	3.1	3.1	NUM
eurjchem-1920	75	7	.	.	PUNCT
eurjchem-1920	76	1	molecular	molecular	ADJ
eurjchem-1920	76	2	geometry	geometry	NOUN
eurjchem-1920	76	3	the	the	DET
eurjchem-1920	76	4	title	title	NOUN
eurjchem-1920	76	5	compound	compound	NOUN
eurjchem-1920	76	6	was	be	AUX
eurjchem-1920	76	7	prepared	prepare	VERB
eurjchem-1920	76	8	according	accord	VERB
eurjchem-1920	76	9	to	to	ADP
eurjchem-1920	76	10	the	the	DET
eurjchem-1920	76	11	previously	previously	ADV
eurjchem-1920	76	12	published	publish	VERB
eurjchem-1920	76	13	method	method	NOUN
eurjchem-1920	76	14	(	(	PUNCT
eurjchem-1920	76	15	scheme	scheme	NOUN
eurjchem-1920	76	16	1	1	NUM
eurjchem-1920	76	17	)	)	PUNCT
eurjchem-1920	77	1	[	[	X
eurjchem-1920	77	2	21	21	NUM
eurjchem-1920	77	3	]	]	PUNCT
eurjchem-1920	77	4	.	.	PUNCT
eurjchem-1920	78	1	it	it	PRON
eurjchem-1920	78	2	was	be	AUX
eurjchem-1920	78	3	characterized	characterize	VERB
eurjchem-1920	78	4	by	by	ADP
eurjchem-1920	78	5	nuclear	nuclear	ADJ
eurjchem-1920	78	6	magnetic	magnetic	ADJ
eurjchem-1920	78	7	resonance	resonance	NOUN
eurjchem-1920	78	8	spectroscopy	spectroscopy	NOUN
eurjchem-1920	78	9	(	(	PUNCT
eurjchem-1920	78	10	nmr	nmr	NOUN
eurjchem-1920	78	11	)	)	PUNCT
eurjchem-1920	78	12	and	and	CCONJ
eurjchem-1920	78	13	fourier	fourier	NOUN
eurjchem-1920	78	14	transform	transform	VERB
eurjchem-1920	78	15	infrared	infrared	ADJ
eurjchem-1920	78	16	spectroscopy	spectroscopy	NOUN
eurjchem-1920	78	17	(	(	PUNCT
eurjchem-1920	78	18	ftir	ftir	NOUN
eurjchem-1920	78	19	)	)	PUNCT
eurjchem-1920	78	20	techniques	technique	NOUN
eurjchem-1920	78	21	.	.	PUNCT
eurjchem-1920	79	1	all	all	DET
eurjchem-1920	79	2	the	the	DET
eurjchem-1920	79	3	obtained	obtain	VERB
eurjchem-1920	79	4	characterization	characterization	NOUN
eurjchem-1920	79	5	data	datum	NOUN
eurjchem-1920	79	6	agree	agree	VERB
eurjchem-1920	79	7	with	with	ADP
eurjchem-1920	79	8	both	both	CCONJ
eurjchem-1920	79	9	the	the	DET
eurjchem-1920	79	10	literature	literature	NOUN
eurjchem-1920	79	11	data	datum	NOUN
eurjchem-1920	79	12	[	[	X
eurjchem-1920	79	13	21	21	NUM
eurjchem-1920	79	14	]	]	PUNCT
eurjchem-1920	79	15	and	and	CCONJ
eurjchem-1920	79	16	the	the	DET
eurjchem-1920	79	17	structure	structure	NOUN
eurjchem-1920	79	18	proposed	propose	VERB
eurjchem-1920	79	19	for	for	ADP
eurjchem-1920	79	20	the	the	DET
eurjchem-1920	79	21	title	title	NOUN
eurjchem-1920	79	22	compound	compound	NOUN
eurjchem-1920	79	23	.	.	PUNCT
eurjchem-1920	80	1	the	the	DET
eurjchem-1920	80	2	molecular	molecular	ADJ
eurjchem-1920	80	3	structure	structure	NOUN
eurjchem-1920	80	4	of	of	ADP
eurjchem-1920	80	5	the	the	PRON
eurjchem-1920	80	6	2,2,2trichloro	2,2,2trichloro	NUM
eurjchem-1920	80	7	-	-	PUNCT
eurjchem-1920	80	8	n	n	CCONJ
eurjchem-1920	80	9	,	,	PUNCT
eurjchem-1920	80	10	n	n	CCONJ
eurjchem-1920	80	11	-	-	PUNCT
eurjchem-1920	80	12	bis(2-(2	bis(2-(2	ADJ
eurjchem-1920	80	13	,	,	PUNCT
eurjchem-1920	80	14	2	2	NUM
eurjchem-1920	80	15	,	,	PUNCT
eurjchem-1920	80	16	2	2	NUM
eurjchem-1920	80	17	-	-	NUM
eurjchem-1920	80	18	trichloroacetamido)phenyl)acetamide	trichloroacetamido)phenyl)acetamide	NOUN
eurjchem-1920	80	19	obtained	obtain	VERB
eurjchem-1920	80	20	by	by	ADP
eurjchem-1920	80	21	the	the	DET
eurjchem-1920	80	22	single	single	ADJ
eurjchem-1920	80	23	crystal	crystal	NOUN
eurjchem-1920	80	24	x	x	PROPN
eurjchem-1920	80	25	-	-	NOUN
eurjchem-1920	80	26	ray	ray	NOUN
eurjchem-1920	80	27	diffraction	diffraction	NOUN
eurjchem-1920	80	28	method	method	NOUN
eurjchem-1920	80	29	has	have	AUX
eurjchem-1920	80	30	been	be	AUX
eurjchem-1920	80	31	previously	previously	ADV
eurjchem-1920	80	32	reported	report	VERB
eurjchem-1920	80	33	[	[	X
eurjchem-1920	80	34	21,22	21,22	NOUN
eurjchem-1920	80	35	]	]	X
eurjchem-1920	80	36	.	.	PUNCT
eurjchem-1920	81	1	the	the	DET
eurjchem-1920	81	2	compound	compound	NOUN
eurjchem-1920	81	3	crystallizes	crystallize	VERB
eurjchem-1920	81	4	monoclinic	monoclinic	ADJ
eurjchem-1920	81	5	,	,	PUNCT
eurjchem-1920	81	6	space	space	NOUN
eurjchem-1920	81	7	group	group	NOUN
eurjchem-1920	81	8	p21	p21	PROPN
eurjchem-1920	81	9	/	/	SYM
eurjchem-1920	81	10	n	n	CCONJ
eurjchem-1920	81	11	,	,	PUNCT
eurjchem-1920	81	12	a	a	PRON
eurjchem-1920	81	13	=	=	SYM
eurjchem-1920	81	14	12.3377(6	12.3377(6	NUM
eurjchem-1920	81	15	)	)	PUNCT
eurjchem-1920	81	16	å	å	PROPN
eurjchem-1920	81	17	,	,	PUNCT
eurjchem-1920	81	18	b	b	X
eurjchem-1920	81	19	=	=	SYM
eurjchem-1920	81	20	12.3897(5	12.3897(5	NUM
eurjchem-1920	81	21	)	)	PUNCT
eurjchem-1920	81	22	å	å	NOUN
eurjchem-1920	81	23	,	,	PUNCT
eurjchem-1920	81	24	c	c	X
eurjchem-1920	81	25	=	=	SYM
eurjchem-1920	81	26	15.4444(7	15.4444(7	NUM
eurjchem-1920	81	27	)	)	PUNCT
eurjchem-1920	81	28	å	å	NOUN
eurjchem-1920	81	29	,	,	PUNCT
eurjchem-1920	81	30	β	β	NOUN
eurjchem-1920	81	31	=	=	SYM
eurjchem-1920	81	32	93.849(2	93.849(2	NOUN
eurjchem-1920	81	33	)	)	PUNCT
eurjchem-1920	81	34	°	°	NOUN
eurjchem-1920	81	35	,	,	PUNCT
eurjchem-1920	81	36	v	v	NOUN
eurjchem-1920	81	37	=	=	SYM
eurjchem-1920	81	38	2355.51(18	2355.51(18	PROPN
eurjchem-1920	81	39	)	)	PUNCT
eurjchem-1920	81	40	å3	å3	PROPN
eurjchem-1920	81	41	,	,	PUNCT
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eurjchem-1920	81	45	and	and	CCONJ
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eurjchem-1920	81	47	=	=	NOUN
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eurjchem-1920	81	49	g	g	NOUN
eurjchem-1920	81	50	/	/	SYM
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eurjchem-1920	81	52	.	.	PUNCT
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eurjchem-1920	82	2	molecular	molecular	ADJ
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eurjchem-1920	82	5	h2lnnn	h2lnnn	PROPN
eurjchem-1920	82	6	compound	compound	NOUN
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eurjchem-1920	82	8	to	to	ADP
eurjchem-1920	82	9	c1	c1	PROPN
eurjchem-1920	82	10	point	point	PROPN
eurjchem-1920	82	11	group	group	NOUN
eurjchem-1920	82	12	symmetry	symmetry	NOUN
eurjchem-1920	82	13	.	.	PUNCT
eurjchem-1920	83	1	figure	figure	NOUN
eurjchem-1920	83	2	2	2	NUM
eurjchem-1920	83	3	demonstrates	demonstrate	VERB
eurjchem-1920	83	4	the	the	DET
eurjchem-1920	83	5	single	single	ADJ
eurjchem-1920	83	6	crystal	crystal	NOUN
eurjchem-1920	83	7	structure	structure	NOUN
eurjchem-1920	83	8	and	and	CCONJ
eurjchem-1920	83	9	the	the	DET
eurjchem-1920	83	10	optimized	optimize	VERB
eurjchem-1920	83	11	molecular	molecular	ADJ
eurjchem-1920	83	12	structure	structure	NOUN
eurjchem-1920	83	13	of	of	ADP
eurjchem-1920	83	14	h2lnnn	h2lnnn	NOUN
eurjchem-1920	83	15	molecule	molecule	NOUN
eurjchem-1920	83	16	which	which	PRON
eurjchem-1920	83	17	was	be	AUX
eurjchem-1920	83	18	obtained	obtain	VERB
eurjchem-1920	83	19	from	from	ADP
eurjchem-1920	83	20	the	the	DET
eurjchem-1920	83	21	gaussview	gaussview	NOUN
eurjchem-1920	83	22	6.0	6.0	NUM
eurjchem-1920	83	23	program	program	NOUN
eurjchem-1920	83	24	[	[	X
eurjchem-1920	83	25	34	34	NUM
eurjchem-1920	83	26	]	]	PUNCT
eurjchem-1920	83	27	.	.	PUNCT
eurjchem-1920	84	1	table	table	NOUN
eurjchem-1920	84	2	1	1	NUM
eurjchem-1920	84	3	lists	list	VERB
eurjchem-1920	84	4	the	the	DET
eurjchem-1920	84	5	optimized	optimize	VERB
eurjchem-1920	84	6	structure	structure	NOUN
eurjchem-1920	84	7	parameters	parameter	NOUN
eurjchem-1920	84	8	of	of	ADP
eurjchem-1920	84	9	h2lnnn	h2lnnn	NOUN
eurjchem-1920	84	10	compound	compound	NOUN
eurjchem-1920	84	11	calculated	calculate	VERB
eurjchem-1920	84	12	by	by	ADP
eurjchem-1920	84	13	b3lyp	b3lyp	PROPN
eurjchem-1920	84	14	,	,	PUNCT
eurjchem-1920	84	15	blyp	blyp	X
eurjchem-1920	84	16	,	,	PUNCT
eurjchem-1920	84	17	b3pw91	b3pw91	NOUN
eurjchem-1920	84	18	,	,	PUNCT
eurjchem-1920	84	19	mpw1pw91	mpw1pw91	NOUN
eurjchem-1920	84	20	and	and	CCONJ
eurjchem-1920	84	21	hf	hf	ADJ
eurjchem-1920	84	22	methods	method	NOUN
eurjchem-1920	84	23	with	with	ADP
eurjchem-1920	84	24	the	the	DET
eurjchem-1920	84	25	standard	standard	ADJ
eurjchem-1920	84	26	6	6	NUM
eurjchem-1920	84	27	-	-	PUNCT
eurjchem-1920	84	28	31g(d	31g(d	NUM
eurjchem-1920	84	29	,	,	PUNCT
eurjchem-1920	84	30	p	p	NOUN
eurjchem-1920	84	31	)	)	PUNCT
eurjchem-1920	84	32	and	and	CCONJ
eurjchem-1920	84	33	6	6	NUM
eurjchem-1920	84	34	-	-	SYM
eurjchem-1920	84	35	311g(d	311g(d	NUM
eurjchem-1920	84	36	,	,	PUNCT
eurjchem-1920	84	37	p	p	NOUN
eurjchem-1920	84	38	)	)	PUNCT
eurjchem-1920	84	39	basis	basis	NOUN
eurjchem-1920	84	40	sets	set	NOUN
eurjchem-1920	84	41	.	.	PUNCT
eurjchem-1920	85	1	at	at	ADP
eurjchem-1920	85	2	the	the	DET
eurjchem-1920	85	3	optimized	optimize	VERB
eurjchem-1920	85	4	geometry	geometry	NOUN
eurjchem-1920	85	5	for	for	ADP
eurjchem-1920	85	6	h2lnnn	h2lnnn	NOUN
eurjchem-1920	85	7	molecule	molecule	NOUN
eurjchem-1920	85	8	,	,	PUNCT
eurjchem-1920	85	9	no	no	DET
eurjchem-1920	85	10	imaginary	imaginary	ADJ
eurjchem-1920	85	11	frequency	frequency	NOUN
eurjchem-1920	85	12	modes	mode	NOUN
eurjchem-1920	85	13	were	be	AUX
eurjchem-1920	85	14	obtained	obtain	VERB
eurjchem-1920	85	15	,	,	PUNCT
eurjchem-1920	85	16	therefore	therefore	ADV
eurjchem-1920	85	17	a	a	DET
eurjchem-1920	85	18	true	true	ADJ
eurjchem-1920	85	19	minimum	minimum	NOUN
eurjchem-1920	85	20	on	on	ADP
eurjchem-1920	85	21	the	the	DET
eurjchem-1920	85	22	potential	potential	ADJ
eurjchem-1920	85	23	energy	energy	NOUN
eurjchem-1920	85	24	surface	surface	NOUN
eurjchem-1920	85	25	was	be	AUX
eurjchem-1920	85	26	found	find	VERB
eurjchem-1920	85	27	.	.	PUNCT
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eurjchem-1920	86	2	–	–	PUNCT
eurjchem-1920	86	3	european	european	ADJ
eurjchem-1920	86	4	journal	journal	NOUN
eurjchem-1920	86	5	of	of	ADP
eurjchem-1920	86	6	chemistry	chemistry	NOUN
eurjchem-1920	86	7	–	–	PUNCT
eurjchem-1920	86	8	cc	cc	NOUN
eurjchem-1920	86	9	by	by	ADP
eurjchem-1920	86	10	nc	nc	PROPN
eurjchem-1920	86	11	–	–	PUNCT
eurjchem-1920	86	12	doi	doi	NOUN
eurjchem-1920	86	13	:	:	PUNCT
eurjchem-1920	86	14	10.5155	10.5155	NUM
eurjchem-1920	86	15	/	/	SYM
eurjchem-1920	86	16	eurjchem.10.4.323	eurjchem.10.4.323	NOUN
eurjchem-1920	86	17	-	-	SYM
eurjchem-1920	86	18	335.1920	335.1920	NUM
eurjchem-1920	86	19	326	326	NUM
eurjchem-1920	86	20	aydogdu	aydogdu	ADV
eurjchem-1920	86	21	et	et	PROPN
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eurjchem-1920	86	23	.	.	PUNCT
eurjchem-1920	86	24	/	/	SYM
eurjchem-1920	86	25	european	european	PROPN
eurjchem-1920	86	26	journal	journal	PROPN
eurjchem-1920	86	27	of	of	ADP
eurjchem-1920	86	28	chemistry	chemistry	NOUN
eurjchem-1920	86	29	10	10	NUM
eurjchem-1920	86	30	(	(	PUNCT
eurjchem-1920	86	31	4	4	NUM
eurjchem-1920	86	32	)	)	PUNCT
eurjchem-1920	86	33	(	(	PUNCT
eurjchem-1920	86	34	2019	2019	NUM
eurjchem-1920	86	35	)	)	PUNCT
eurjchem-1920	86	36	323	323	NUM
eurjchem-1920	86	37	-	-	SYM
eurjchem-1920	86	38	335	335	NUM
eurjchem-1920	86	39	table	table	NOUN
eurjchem-1920	86	40	1	1	NUM
eurjchem-1920	86	41	.	.	NUM
eurjchem-1920	86	42	optimized	optimize	VERB
eurjchem-1920	86	43	and	and	CCONJ
eurjchem-1920	86	44	experimental	experimental	ADJ
eurjchem-1920	86	45	geometries	geometry	NOUN
eurjchem-1920	86	46	of	of	ADP
eurjchem-1920	86	47	h2lnnn	h2lnnn	ADJ
eurjchem-1920	86	48	molecule	molecule	NOUN
eurjchem-1920	86	49	in	in	ADP
eurjchem-1920	86	50	the	the	DET
eurjchem-1920	86	51	ground	ground	NOUN
eurjchem-1920	86	52	state	state	NOUN
eurjchem-1920	86	53	*	*	PROPN
eurjchem-1920	86	54	.	.	PUNCT
eurjchem-1920	87	1	parameter	parameter	PROPN
eurjchem-1920	87	2	experimental	experimental	PROPN
eurjchem-1920	87	3	,	,	PUNCT
eurjchem-1920	87	4	å	å	PROPN
eurjchem-1920	87	5	calculated	calculate	VERB
eurjchem-1920	87	6	,	,	PUNCT
eurjchem-1920	87	7	å	å	PROPN
eurjchem-1920	87	8	b3lyp	b3lyp	SYM
eurjchem-1920	87	9	b3pw91	b3pw91	NOUN
eurjchem-1920	87	10	blyp	blyp	X
eurjchem-1920	87	11	hf	hf	PROPN
eurjchem-1920	87	12	mpw1pw	mpw1pw	NUM
eurjchem-1920	87	13	6	6	NUM
eurjchem-1920	87	14	-	-	SYM
eurjchem-1920	87	15	31	31	NUM
eurjchem-1920	87	16	6	6	NUM
eurjchem-1920	87	17	-	-	SYM
eurjchem-1920	87	18	311	311	NUM
eurjchem-1920	87	19	6	6	NUM
eurjchem-1920	87	20	-	-	SYM
eurjchem-1920	87	21	31	31	NUM
eurjchem-1920	87	22	6	6	NUM
eurjchem-1920	87	23	-	-	SYM
eurjchem-1920	87	24	311	311	NUM
eurjchem-1920	87	25	6	6	NUM
eurjchem-1920	87	26	-	-	SYM
eurjchem-1920	87	27	31	31	NUM
eurjchem-1920	87	28	6	6	NUM
eurjchem-1920	87	29	-	-	SYM
eurjchem-1920	87	30	311	311	NUM
eurjchem-1920	87	31	6	6	NUM
eurjchem-1920	87	32	-	-	SYM
eurjchem-1920	87	33	31	31	NUM
eurjchem-1920	87	34	6	6	NUM
eurjchem-1920	87	35	-	-	SYM
eurjchem-1920	87	36	311	311	NUM
eurjchem-1920	87	37	6	6	NUM
eurjchem-1920	87	38	-	-	SYM
eurjchem-1920	87	39	31	31	NUM
eurjchem-1920	87	40	6	6	NUM
eurjchem-1920	87	41	-	-	SYM
eurjchem-1920	87	42	311	311	NUM
eurjchem-1920	87	43	bond	bond	NOUN
eurjchem-1920	87	44	lengths	length	NOUN
eurjchem-1920	87	45	c1	c1	PROPN
eurjchem-1920	87	46	-	-	PUNCT
eurjchem-1920	87	47	c2	c2	PROPN
eurjchem-1920	87	48	1.569(2	1.569(2	NUM
eurjchem-1920	87	49	)	)	PUNCT
eurjchem-1920	88	1	1.580	1.580	NUM
eurjchem-1920	88	2	1.580	1.580	NUM
eurjchem-1920	88	3	1.575	1.575	NUM
eurjchem-1920	88	4	1.573	1.573	NUM
eurjchem-1920	88	5	1.595	1.595	NUM
eurjchem-1920	88	6	1.597	1.597	NUM
eurjchem-1920	88	7	1.564	1.564	NUM
eurjchem-1920	88	8	1.563	1.563	NUM
eurjchem-1920	88	9	1.571	1.571	NUM
eurjchem-1920	88	10	1.569	1.569	NUM
eurjchem-1920	88	11	c1	c1	PROPN
eurjchem-1920	88	12	-	-	PUNCT
eurjchem-1920	88	13	cl25	cl25	PROPN
eurjchem-1920	88	14	1.761(2	1.761(2	NUM
eurjchem-1920	88	15	)	)	PUNCT
eurjchem-1920	88	16	1.781	1.781	NUM
eurjchem-1920	88	17	1.780	1.780	NUM
eurjchem-1920	88	18	1.769	1.769	NUM
eurjchem-1920	88	19	1.766	1.766	NUM
eurjchem-1920	88	20	1.803	1.803	NUM
eurjchem-1920	88	21	1.802	1.802	NUM
eurjchem-1920	88	22	1.762	1.762	NUM
eurjchem-1920	88	23	1.762	1.762	NUM
eurjchem-1920	88	24	1.764	1.764	NUM
eurjchem-1920	88	25	1.761	1.761	NUM
eurjchem-1920	88	26	c1	c1	NOUN
eurjchem-1920	88	27	-	-	PUNCT
eurjchem-1920	88	28	cl26	cl26	PROPN
eurjchem-1920	88	29	1.774(2	1.774(2	NUM
eurjchem-1920	88	30	)	)	PUNCT
eurjchem-1920	88	31	1.810	1.810	NUM
eurjchem-1920	88	32	1.809	1.809	NUM
eurjchem-1920	88	33	1.795	1.795	NUM
eurjchem-1920	88	34	1.794	1.794	NUM
eurjchem-1920	88	35	1.841	1.841	NUM
eurjchem-1920	88	36	1.838	1.838	NUM
eurjchem-1920	88	37	1.776	1.776	NUM
eurjchem-1920	88	38	1.777	1.777	NUM
eurjchem-1920	88	39	1.789	1.789	NUM
eurjchem-1920	88	40	1.788	1.788	NUM
eurjchem-1920	88	41	c1	c1	NOUN
eurjchem-1920	88	42	-	-	PUNCT
eurjchem-1920	88	43	cl27	cl27	PROPN
eurjchem-1920	88	44	1.774(2	1.774(2	NUM
eurjchem-1920	88	45	)	)	PUNCT
eurjchem-1920	88	46	1.800	1.800	NUM
eurjchem-1920	88	47	1.798	1.798	NUM
eurjchem-1920	88	48	1.786	1.786	NUM
eurjchem-1920	88	49	1.784	1.784	NUM
eurjchem-1920	88	50	1.827	1.827	NUM
eurjchem-1920	88	51	1.825	1.825	NUM
eurjchem-1920	88	52	1.771	1.771	NUM
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eurjchem-1920	88	58	o3	o3	PROPN
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eurjchem-1920	88	60	)	)	PUNCT
eurjchem-1920	88	61	1.214	1.214	NUM
eurjchem-1920	88	62	1.206	1.206	NUM
eurjchem-1920	88	63	1.212	1.212	NUM
eurjchem-1920	88	64	1.205	1.205	NUM
eurjchem-1920	88	65	1.227	1.227	NUM
eurjchem-1920	88	66	1.219	1.219	NUM
eurjchem-1920	88	67	1.188	1.188	NUM
eurjchem-1920	88	68	1.181	1.181	NUM
eurjchem-1920	88	69	1.209	1.209	NUM
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eurjchem-1920	88	73	n4	n4	PROPN
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eurjchem-1920	88	76	1.367	1.367	NUM
eurjchem-1920	88	77	1.367	1.367	NUM
eurjchem-1920	88	78	1.363	1.363	NUM
eurjchem-1920	88	79	1.363	1.363	NUM
eurjchem-1920	88	80	1.380	1.380	NUM
eurjchem-1920	88	81	1.380	1.380	NUM
eurjchem-1920	88	82	1.355	1.355	NUM
eurjchem-1920	88	83	1.356	1.356	NUM
eurjchem-1920	88	84	1.360	1.360	NUM
eurjchem-1920	88	85	1.360	1.360	NUM
eurjchem-1920	88	86	n4	n4	PROPN
eurjchem-1920	88	87	-	-	PUNCT
eurjchem-1920	88	88	c5	c5	PROPN
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eurjchem-1920	88	90	)	)	PUNCT
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eurjchem-1920	88	92	1.412	1.412	NUM
eurjchem-1920	88	93	1.406	1.406	NUM
eurjchem-1920	88	94	1.405	1.405	NUM
eurjchem-1920	88	95	1.423	1.423	NUM
eurjchem-1920	88	96	1.423	1.423	NUM
eurjchem-1920	88	97	1.412	1.412	NUM
eurjchem-1920	88	98	1.412	1.412	NUM
eurjchem-1920	88	99	1.403	1.403	NUM
eurjchem-1920	88	100	1.402	1.402	NUM
eurjchem-1920	88	101	c5	c5	PROPN
eurjchem-1920	88	102	-	-	PUNCT
eurjchem-1920	88	103	c6	c6	PROPN
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eurjchem-1920	88	108	1.401	1.401	NUM
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eurjchem-1920	88	111	1.412	1.412	NUM
eurjchem-1920	88	112	1.389	1.389	NUM
eurjchem-1920	88	113	1.388	1.388	NUM
eurjchem-1920	88	114	1.399	1.399	NUM
eurjchem-1920	88	115	1.396	1.396	NUM
eurjchem-1920	88	116	c5	c5	PROPN
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eurjchem-1920	88	118	c10	c10	PROPN
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eurjchem-1920	88	123	1.411	1.411	NUM
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eurjchem-1920	88	138	1.391	1.391	NUM
eurjchem-1920	88	139	1.389	1.389	NUM
eurjchem-1920	88	140	1.402	1.402	NUM
eurjchem-1920	88	141	1.399	1.399	NUM
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eurjchem-1920	88	143	1.383	1.383	NUM
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eurjchem-1920	88	148	c8	c8	PROPN
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eurjchem-1920	88	155	1.403	1.403	NUM
eurjchem-1920	88	156	1.400	1.400	NUM
eurjchem-1920	88	157	1.381	1.381	NUM
eurjchem-1920	88	158	1.380	1.380	NUM
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eurjchem-1920	88	167	1.389	1.389	NUM
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eurjchem-1920	88	170	1.402	1.402	NUM
eurjchem-1920	88	171	1.399	1.399	NUM
eurjchem-1920	88	172	1.382	1.382	NUM
eurjchem-1920	88	173	1.381	1.381	NUM
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eurjchem-1920	88	180	)	)	PUNCT
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eurjchem-1920	88	183	1.395	1.395	NUM
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eurjchem-1920	88	186	1.405	1.405	NUM
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eurjchem-1920	88	218	1.437	1.437	NUM
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eurjchem-1920	88	506	r	r	NOUN
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eurjchem-1920	89	52	108.74	108.74	NUM
eurjchem-1920	89	53	108.72	108.72	NUM
eurjchem-1920	89	54	108.92	108.92	NUM
eurjchem-1920	89	55	108.93	108.93	NUM
eurjchem-1920	89	56	108.53	108.53	NUM
eurjchem-1920	89	57	108.50	108.50	NUM
eurjchem-1920	89	58	108.82	108.82	NUM
eurjchem-1920	89	59	108.81	108.81	NUM
eurjchem-1920	89	60	108.99	108.99	NUM
eurjchem-1920	89	61	109.00	109.00	NUM
eurjchem-1920	89	62	cl25	cl25	PROPN
eurjchem-1920	89	63	-	-	PUNCT
eurjchem-1920	89	64	c1	c1	NOUN
eurjchem-1920	89	65	-	-	PUNCT
eurjchem-1920	89	66	cl27	cl27	PROPN
eurjchem-1920	89	67	109.29(9	109.29(9	NUM
eurjchem-1920	89	68	)	)	PUNCT
eurjchem-1920	89	69	109.29	109.29	NUM
eurjchem-1920	89	70	109.27	109.27	NUM
eurjchem-1920	89	71	109.45	109.45	NUM
eurjchem-1920	89	72	109.49	109.49	NUM
eurjchem-1920	89	73	109.19	109.19	NUM
eurjchem-1920	89	74	109.14	109.14	NUM
eurjchem-1920	89	75	108.76	108.76	NUM
eurjchem-1920	89	76	108.88	108.88	NUM
eurjchem-1920	89	77	109.52	109.52	NUM
eurjchem-1920	89	78	109.56	109.56	NUM
eurjchem-1920	89	79	cl26	cl26	PROPN
eurjchem-1920	89	80	-	-	PUNCT
eurjchem-1920	89	81	c1	c1	NOUN
eurjchem-1920	89	82	-	-	PUNCT
eurjchem-1920	89	83	cl27	cl27	PROPN
eurjchem-1920	89	84	109.82(9	109.82(9	NUM
eurjchem-1920	89	85	)	)	PUNCT
eurjchem-1920	89	86	110.09	110.09	NUM
eurjchem-1920	89	87	110.04	110.04	NUM
eurjchem-1920	89	88	110.21	110.21	NUM
eurjchem-1920	89	89	110.13	110.13	NUM
eurjchem-1920	89	90	109.97	109.97	NUM
eurjchem-1920	89	91	109.89	109.89	NUM
eurjchem-1920	89	92	110.42	110.42	NUM
eurjchem-1920	89	93	110.34	110.34	NUM
eurjchem-1920	89	94	110.20	110.20	NUM
eurjchem-1920	89	95	110.13	110.13	NUM
eurjchem-1920	89	96	c1	c1	PROPN
eurjchem-1920	89	97	-	-	PUNCT
eurjchem-1920	89	98	c2	c2	PROPN
eurjchem-1920	89	99	-	-	PUNCT
eurjchem-1920	89	100	o3	o3	PROPN
eurjchem-1920	89	101	120.24(15	120.24(15	NUM
eurjchem-1920	89	102	)	)	PUNCT
eurjchem-1920	89	103	119.23	119.23	NUM
eurjchem-1920	89	104	119.30	119.30	NUM
eurjchem-1920	89	105	119.27	119.27	NUM
eurjchem-1920	89	106	119.47	119.47	NUM
eurjchem-1920	89	107	119.16	119.16	NUM
eurjchem-1920	89	108	119.18	119.18	NUM
eurjchem-1920	89	109	118.99	118.99	NUM
eurjchem-1920	89	110	119.18	119.18	NUM
eurjchem-1920	89	111	119.34	119.34	NUM
eurjchem-1920	89	112	119.55	119.55	NUM
eurjchem-1920	89	113	c1	c1	PROPN
eurjchem-1920	89	114	-	-	PUNCT
eurjchem-1920	89	115	c2	c2	PROPN
eurjchem-1920	89	116	-	-	PUNCT
eurjchem-1920	89	117	n4	n4	PROPN
eurjchem-1920	89	118	113.42(14	113.42(14	NUM
eurjchem-1920	89	119	)	)	PUNCT
eurjchem-1920	89	120	114.64	114.64	NUM
eurjchem-1920	89	121	114.54	114.54	NUM
eurjchem-1920	89	122	114.56	114.56	NUM
eurjchem-1920	89	123	114.33	114.33	NUM
eurjchem-1920	89	124	114.65	114.65	NUM
eurjchem-1920	89	125	114.61	114.61	NUM
eurjchem-1920	89	126	115.55	115.55	NUM
eurjchem-1920	89	127	115.22	115.22	NUM
eurjchem-1920	89	128	114.43	114.43	NUM
eurjchem-1920	89	129	114.20	114.20	NUM
eurjchem-1920	89	130	o3	o3	PROPN
eurjchem-1920	89	131	-	-	PUNCT
eurjchem-1920	89	132	c2	c2	PROPN
eurjchem-1920	89	133	-	-	PUNCT
eurjchem-1920	89	134	n4	n4	PROPN
eurjchem-1920	89	135	126.34(16	126.34(16	PROPN
eurjchem-1920	89	136	)	)	PUNCT
eurjchem-1920	89	137	126.13	126.13	NUM
eurjchem-1920	89	138	126.16	126.16	NUM
eurjchem-1920	89	139	126.18	126.18	NUM
eurjchem-1920	89	140	126.20	126.20	NUM
eurjchem-1920	89	141	126.20	126.20	NUM
eurjchem-1920	89	142	126.21	126.21	NUM
eurjchem-1920	89	143	125.45	125.45	NUM
eurjchem-1920	89	144	125.60	125.60	NUM
eurjchem-1920	89	145	126.23	126.23	NUM
eurjchem-1920	89	146	126.25	126.25	NUM
eurjchem-1920	89	147	c2	c2	PROPN
eurjchem-1920	89	148	-	-	PUNCT
eurjchem-1920	89	149	n4	n4	PROPN
eurjchem-1920	89	150	-	-	PUNCT
eurjchem-1920	89	151	c5	c5	PROPN
eurjchem-1920	89	152	123.21(14	123.21(14	NOUN
eurjchem-1920	89	153	)	)	PUNCT
eurjchem-1920	89	154	124.39	124.39	NUM
eurjchem-1920	89	155	124.19	124.19	NUM
eurjchem-1920	89	156	124.28	124.28	NUM
eurjchem-1920	89	157	124.14	124.14	NUM
eurjchem-1920	89	158	124.59	124.59	NUM
eurjchem-1920	89	159	124.33	124.33	NUM
eurjchem-1920	89	160	122.50	122.50	NUM
eurjchem-1920	89	161	122.78	122.78	NUM
eurjchem-1920	89	162	124.35	124.35	NUM
eurjchem-1920	89	163	124.20	124.20	NUM
eurjchem-1920	89	164	n4	n4	PROPN
eurjchem-1920	89	165	-	-	PUNCT
eurjchem-1920	89	166	c5	c5	PROPN
eurjchem-1920	89	167	-	-	PUNCT
eurjchem-1920	89	168	c6	c6	PROPN
eurjchem-1920	89	169	120.99(16	120.99(16	NUM
eurjchem-1920	89	170	)	)	PUNCT
eurjchem-1920	89	171	122.21	122.21	NUM
eurjchem-1920	89	172	122.03	122.03	NUM
eurjchem-1920	89	173	122.40	122.40	NUM
eurjchem-1920	89	174	122.27	122.27	NUM
eurjchem-1920	89	175	122.09	122.09	NUM
eurjchem-1920	89	176	121.86	121.86	NUM
eurjchem-1920	89	177	120.86	120.86	NUM
eurjchem-1920	89	178	121.02	121.02	NUM
eurjchem-1920	89	179	122.59	122.59	NUM
eurjchem-1920	89	180	122.47	122.47	NUM
eurjchem-1920	89	181	n4	n4	PROPN
eurjchem-1920	89	182	-	-	PUNCT
eurjchem-1920	89	183	c5	c5	PROPN
eurjchem-1920	89	184	-	-	PUNCT
eurjchem-1920	89	185	c10	c10	PROPN
eurjchem-1920	89	186	120.16(15	120.16(15	NUM
eurjchem-1920	89	187	)	)	PUNCT
eurjchem-1920	89	188	119.52	119.52	NUM
eurjchem-1920	89	189	119.81	119.81	NUM
eurjchem-1920	89	190	119.39	119.39	NUM
eurjchem-1920	89	191	119.58	119.58	NUM
eurjchem-1920	89	192	119.72	119.72	NUM
eurjchem-1920	89	193	120.09	120.09	NUM
eurjchem-1920	89	194	120.77	120.77	NUM
eurjchem-1920	89	195	120.63	120.63	NUM
eurjchem-1920	89	196	119.12	119.12	NUM
eurjchem-1920	89	197	119.32	119.32	NUM
eurjchem-1920	89	198	c6	c6	PROPN
eurjchem-1920	89	199	-	-	PUNCT
eurjchem-1920	89	200	c5	c5	PROPN
eurjchem-1920	89	201	-	-	PUNCT
eurjchem-1920	89	202	c10	c10	PROPN
eurjchem-1920	89	203	118.84(16	118.84(16	PROPN
eurjchem-1920	89	204	)	)	PUNCT
eurjchem-1920	89	205	118.26	118.26	NUM
eurjchem-1920	89	206	118.15	118.15	NUM
eurjchem-1920	89	207	118.20	118.20	NUM
eurjchem-1920	89	208	118.14	118.14	NUM
eurjchem-1920	89	209	118.17	118.17	NUM
eurjchem-1920	89	210	118.04	118.04	NUM
eurjchem-1920	89	211	118.36	118.36	NUM
eurjchem-1920	89	212	118.34	118.34	NUM
eurjchem-1920	89	213	118.27	118.27	NUM
eurjchem-1920	89	214	118.21	118.21	NUM
eurjchem-1920	89	215	c5	c5	PROPN
eurjchem-1920	89	216	-	-	PUNCT
eurjchem-1920	89	217	c6	c6	PROPN
eurjchem-1920	89	218	-	-	PUNCT
eurjchem-1920	89	219	c7	c7	PROPN
eurjchem-1920	89	220	120.39(15	120.39(15	PROPN
eurjchem-1920	89	221	)	)	PUNCT
eurjchem-1920	89	222	120.78	120.78	NUM
eurjchem-1920	89	223	120.91	120.91	NUM
eurjchem-1920	89	224	120.78	120.78	NUM
eurjchem-1920	89	225	120.85	120.85	NUM
eurjchem-1920	89	226	120.87	120.87	NUM
eurjchem-1920	89	227	121.01	121.01	NUM
eurjchem-1920	89	228	121.08	121.08	NUM
eurjchem-1920	89	229	121.08	121.08	NUM
eurjchem-1920	89	230	120.65	120.65	NUM
eurjchem-1920	89	231	120.74	120.74	NUM
eurjchem-1920	89	232	c6	c6	PROPN
eurjchem-1920	89	233	-	-	PUNCT
eurjchem-1920	89	234	c7	c7	PROPN
eurjchem-1920	89	235	-	-	PUNCT
eurjchem-1920	89	236	c8	c8	PROPN
eurjchem-1920	89	237	120.42(16	120.42(16	NUM
eurjchem-1920	89	238	)	)	PUNCT
eurjchem-1920	89	239	120.80	120.80	NUM
eurjchem-1920	89	240	120.74	120.74	NUM
eurjchem-1920	89	241	120.86	120.86	NUM
eurjchem-1920	89	242	120.80	120.80	NUM
eurjchem-1920	89	243	120.79	120.79	NUM
eurjchem-1920	89	244	120.72	120.72	NUM
eurjchem-1920	89	245	120.45	120.45	NUM
eurjchem-1920	89	246	120.46	120.46	NUM
eurjchem-1920	89	247	120.92	120.92	NUM
eurjchem-1920	89	248	120.86	120.86	NUM
eurjchem-1920	89	249	c7	c7	PROPN
eurjchem-1920	89	250	-	-	PUNCT
eurjchem-1920	89	251	c8	c8	PROPN
eurjchem-1920	89	252	-	-	PUNCT
eurjchem-1920	89	253	c9	c9	PROPN
eurjchem-1920	89	254	119.63(17	119.63(17	NUM
eurjchem-1920	89	255	)	)	PUNCT
eurjchem-1920	90	1	118.97	118.97	NUM
eurjchem-1920	90	2	118.94	118.94	NUM
eurjchem-1920	90	3	118.92	118.92	NUM
eurjchem-1920	90	4	118.92	118.92	NUM
eurjchem-1920	90	5	119.01	119.01	NUM
eurjchem-1920	90	6	118.96	118.96	NUM
eurjchem-1920	90	7	118.92	118.92	NUM
eurjchem-1920	90	8	118.87	118.87	NUM
eurjchem-1920	90	9	118.94	118.94	NUM
eurjchem-1920	90	10	118.93	118.93	NUM
eurjchem-1920	90	11	c8	c8	NOUN
eurjchem-1920	90	12	-	-	PUNCT
eurjchem-1920	90	13	c9	c9	NOUN
eurjchem-1920	90	14	-	-	PUNCT
eurjchem-1920	90	15	c10	c10	PROPN
eurjchem-1920	90	16	120.54(17	120.54(17	NUM
eurjchem-1920	90	17	)	)	PUNCT
eurjchem-1920	90	18	120.98	120.98	NUM
eurjchem-1920	90	19	121.06	121.06	NUM
eurjchem-1920	90	20	120.95	120.95	NUM
eurjchem-1920	90	21	120.98	120.98	NUM
eurjchem-1920	90	22	121.04	121.04	NUM
eurjchem-1920	90	23	121.14	121.14	NUM
eurjchem-1920	90	24	121.21	121.21	NUM
eurjchem-1920	90	25	121.25	121.25	NUM
eurjchem-1920	90	26	120.85	120.85	NUM
eurjchem-1920	90	27	120.88	120.88	NUM
eurjchem-1920	90	28	c5	c5	PROPN
eurjchem-1920	90	29	-	-	PUNCT
eurjchem-1920	90	30	c10	c10	VERB
eurjchem-1920	90	31	-	-	PUNCT
eurjchem-1920	90	32	c9	c9	NOUN
eurjchem-1920	90	33	120.07(16	120.07(16	NOUN
eurjchem-1920	90	34	)	)	PUNCT
eurjchem-1920	90	35	120.15	120.15	NUM
eurjchem-1920	90	36	120.15	120.15	NUM
eurjchem-1920	90	37	120.25	120.25	NUM
eurjchem-1920	90	38	120.26	120.26	NUM
eurjchem-1920	91	1	120.08	120.08	NUM
eurjchem-1920	91	2	120.06	120.06	NUM
eurjchem-1920	91	3	119.88	119.88	NUM
eurjchem-1920	91	4	119.92	119.92	NUM
eurjchem-1920	91	5	120.33	120.33	NUM
eurjchem-1920	91	6	120.33	120.33	NUM
eurjchem-1920	91	7	c5	c5	PROPN
eurjchem-1920	91	8	-	-	PUNCT
eurjchem-1920	91	9	c10	c10	VERB
eurjchem-1920	91	10	-	-	PUNCT
eurjchem-1920	91	11	n11	n11	NOUN
eurjchem-1920	91	12	120.39(15	120.39(15	NUM
eurjchem-1920	91	13	)	)	PUNCT
eurjchem-1920	91	14	121.02	121.02	NUM
eurjchem-1920	91	15	121.28	121.28	NUM
eurjchem-1920	91	16	120.87	120.87	NUM
eurjchem-1920	91	17	121.04	121.04	NUM
eurjchem-1920	91	18	121.23	121.23	NUM
eurjchem-1920	91	19	121.54	121.54	NUM
eurjchem-1920	91	20	121.57	121.57	NUM
eurjchem-1920	91	21	121.54	121.54	NUM
eurjchem-1920	91	22	120.61	120.61	NUM
eurjchem-1920	91	23	120.80	120.80	NUM
eurjchem-1920	91	24	c9	c9	NOUN
eurjchem-1920	91	25	-	-	PUNCT
eurjchem-1920	91	26	c10	c10	VERB
eurjchem-1920	91	27	-	-	PUNCT
eurjchem-1920	91	28	n11	n11	NOUN
eurjchem-1920	91	29	119.46(16	119.46(16	NUM
eurjchem-1920	91	30	)	)	PUNCT
eurjchem-1920	91	31	118.71	118.71	NUM
eurjchem-1920	91	32	118.45	118.45	NUM
eurjchem-1920	91	33	118.74	118.74	NUM
eurjchem-1920	91	34	118.57	118.57	NUM
eurjchem-1920	91	35	118.56	118.56	NUM
eurjchem-1920	91	36	118.27	118.27	NUM
eurjchem-1920	91	37	118.52	118.52	NUM
eurjchem-1920	91	38	118.51	118.51	NUM
eurjchem-1920	91	39	118.91	118.91	NUM
eurjchem-1920	91	40	118.73	118.73	NUM
eurjchem-1920	91	41	c10	c10	PROPN
eurjchem-1920	91	42	-	-	PUNCT
eurjchem-1920	91	43	n11	n11	NOUN
eurjchem-1920	91	44	-	-	PUNCT
eurjchem-1920	91	45	c12	c12	NOUN
eurjchem-1920	91	46	117.13(13	117.13(13	NUM
eurjchem-1920	91	47	)	)	PUNCT
eurjchem-1920	91	48	116.40	116.40	NUM
eurjchem-1920	91	49	116.61	116.61	NUM
eurjchem-1920	91	50	116.30	116.30	NUM
eurjchem-1920	91	51	116.53	116.53	NUM
eurjchem-1920	91	52	116.35	116.35	NUM
eurjchem-1920	91	53	116.56	116.56	NUM
eurjchem-1920	91	54	117.05	117.05	NUM
eurjchem-1920	91	55	117.11	117.11	NUM
eurjchem-1920	91	56	116.27	116.27	NUM
eurjchem-1920	91	57	116.49	116.49	NUM
eurjchem-1920	91	58	c10	c10	VERB
eurjchem-1920	91	59	-	-	PUNCT
eurjchem-1920	91	60	n11	n11	NOUN
eurjchem-1920	91	61	-	-	PUNCT
eurjchem-1920	91	62	c22	c22	NOUN
eurjchem-1920	91	63	123.75(14	123.75(14	NOUN
eurjchem-1920	91	64	)	)	PUNCT
eurjchem-1920	91	65	123.28	123.28	NUM
eurjchem-1920	91	66	122.39	122.39	NUM
eurjchem-1920	91	67	123.12	123.12	NUM
eurjchem-1920	91	68	122.42	122.42	NUM
eurjchem-1920	91	69	123.27	123.27	NUM
eurjchem-1920	91	70	122.44	122.44	NUM
eurjchem-1920	91	71	119.91	119.91	NUM
eurjchem-1920	91	72	119.51	119.51	NUM
eurjchem-1920	91	73	123.34	123.34	NUM
eurjchem-1920	91	74	122.65	122.65	NUM
eurjchem-1920	91	75	c12	c12	NOUN
eurjchem-1920	91	76	-	-	PUNCT
eurjchem-1920	91	77	n11	n11	NOUN
eurjchem-1920	91	78	-	-	PUNCT
eurjchem-1920	91	79	c22	c22	NOUN
eurjchem-1920	91	80	115.88(14	115.88(14	NUM
eurjchem-1920	91	81	)	)	PUNCT
eurjchem-1920	91	82	116.61	116.61	NUM
eurjchem-1920	91	83	116.55	116.55	NUM
eurjchem-1920	91	84	116.73	116.73	NUM
eurjchem-1920	91	85	116.77	116.77	NUM
eurjchem-1920	91	86	116.39	116.39	NUM
eurjchem-1920	91	87	116.33	116.33	NUM
eurjchem-1920	91	88	115.73	115.73	NUM
eurjchem-1920	91	89	115.75	115.75	NUM
eurjchem-1920	91	90	116.96	116.96	NUM
eurjchem-1920	91	91	116.98	116.98	NUM
eurjchem-1920	91	92	n11	n11	PROPN
eurjchem-1920	91	93	-	-	PUNCT
eurjchem-1920	91	94	c12	c12	NOUN
eurjchem-1920	91	95	-	-	PUNCT
eurjchem-1920	91	96	c13	c13	NOUN
eurjchem-1920	91	97	118.00(16	118.00(16	NUM
eurjchem-1920	91	98	)	)	PUNCT
eurjchem-1920	91	99	118.18	118.18	NUM
eurjchem-1920	91	100	118.73	118.73	NUM
eurjchem-1920	91	101	118.14	118.14	NUM
eurjchem-1920	91	102	118.59	118.59	NUM
eurjchem-1920	91	103	118.19	118.19	NUM
eurjchem-1920	91	104	118.67	118.67	NUM
eurjchem-1920	91	105	119.95	119.95	NUM
eurjchem-1920	91	106	120.06	120.06	NUM
eurjchem-1920	91	107	117.99	117.99	NUM
eurjchem-1920	91	108	118.43	118.43	NUM
eurjchem-1920	91	109	n11	n11	PROPN
eurjchem-1920	91	110	-	-	PUNCT
eurjchem-1920	91	111	c12	c12	NOUN
eurjchem-1920	91	112	-	-	PUNCT
eurjchem-1920	91	113	c17	c17	NOUN
eurjchem-1920	91	114	123.01(15	123.01(15	NUM
eurjchem-1920	91	115	)	)	PUNCT
eurjchem-1920	91	116	123.71	123.71	NUM
eurjchem-1920	91	117	122.96	122.96	NUM
eurjchem-1920	91	118	123.72	123.72	NUM
eurjchem-1920	91	119	123.08	123.08	NUM
eurjchem-1920	91	120	123.71	123.71	NUM
eurjchem-1920	91	121	123.08	123.08	NUM
eurjchem-1920	91	122	121.41	121.41	NUM
eurjchem-1920	91	123	121.33	121.33	NUM
eurjchem-1920	91	124	123.90	123.90	NUM
eurjchem-1920	91	125	123.28	123.28	NUM
eurjchem-1920	91	126	c13	c13	PROPN
eurjchem-1920	91	127	-	-	PUNCT
eurjchem-1920	91	128	c12	c12	NOUN
eurjchem-1920	91	129	-	-	PUNCT
eurjchem-1920	91	130	c17	c17	NOUN
eurjchem-1920	91	131	118.99(16	118.99(16	NUM
eurjchem-1920	91	132	)	)	PUNCT
eurjchem-1920	91	133	118.11	118.11	NUM
eurjchem-1920	91	134	118.30	118.30	NUM
eurjchem-1920	91	135	118.13	118.13	NUM
eurjchem-1920	91	136	118.33	118.33	NUM
eurjchem-1920	91	137	118.09	118.09	NUM
eurjchem-1920	91	138	118.25	118.25	NUM
eurjchem-1920	91	139	118.61	118.61	NUM
eurjchem-1920	91	140	118.59	118.59	NUM
eurjchem-1920	91	141	118.09	118.09	NUM
eurjchem-1920	91	142	118.29	118.29	NUM
eurjchem-1920	91	143	c12	c12	NOUN
eurjchem-1920	91	144	-	-	PUNCT
eurjchem-1920	91	145	c13	c13	PROPN
eurjchem-1920	91	146	-	-	PUNCT
eurjchem-1920	91	147	c14	c14	NOUN
eurjchem-1920	91	148	121.22(16	121.22(16	NOUN
eurjchem-1920	91	149	)	)	PUNCT
eurjchem-1920	92	1	121.91	121.91	NUM
eurjchem-1920	92	2	121.64	121.64	NUM
eurjchem-1920	92	3	121.92	121.92	NUM
eurjchem-1920	92	4	121.66	121.66	NUM
eurjchem-1920	92	5	121.91	121.91	NUM
eurjchem-1920	92	6	121.68	121.68	NUM
eurjchem-1920	92	7	121.17	121.17	NUM
eurjchem-1920	92	8	121.21	121.21	NUM
eurjchem-1920	92	9	121.96	121.96	NUM
eurjchem-1920	92	10	121.71	121.71	NUM
eurjchem-1920	92	11	c13	c13	PROPN
eurjchem-1920	92	12	-	-	PUNCT
eurjchem-1920	92	13	c14	c14	NOUN
eurjchem-1920	92	14	-	-	PUNCT
eurjchem-1920	92	15	c15	c15	NOUN
eurjchem-1920	92	16	119.79(16	119.79(16	NOUN
eurjchem-1920	92	17	)	)	PUNCT
eurjchem-1920	92	18	119.82	119.82	NUM
eurjchem-1920	92	19	119.90	119.90	NUM
eurjchem-1920	92	20	119.80	119.80	NUM
eurjchem-1920	92	21	119.86	119.86	NUM
eurjchem-1920	92	22	119.83	119.83	NUM
eurjchem-1920	92	23	119.90	119.90	NUM
eurjchem-1920	92	24	120.13	120.13	NUM
eurjchem-1920	92	25	120.09	120.09	NUM
eurjchem-1920	92	26	119.79	119.79	NUM
eurjchem-1920	92	27	119.85	119.85	NUM
eurjchem-1920	92	28	c14	c14	NOUN
eurjchem-1920	92	29	-	-	PUNCT
eurjchem-1920	92	30	c15	c15	NOUN
eurjchem-1920	92	31	-	-	PUNCT
eurjchem-1920	92	32	c16	c16	PROPN
eurjchem-1920	92	33	119.71(16	119.71(16	NUM
eurjchem-1920	92	34	)	)	PUNCT
eurjchem-1920	92	35	119.10	119.10	NUM
eurjchem-1920	92	36	119.16	119.16	NUM
eurjchem-1920	92	37	119.09	119.09	NUM
eurjchem-1920	92	38	119.16	119.16	NUM
eurjchem-1920	92	39	119.15	119.15	NUM
eurjchem-1920	92	40	119.21	119.21	NUM
eurjchem-1920	92	41	119.10	119.10	NUM
eurjchem-1920	92	42	119.09	119.09	NUM
eurjchem-1920	92	43	119.06	119.06	NUM
eurjchem-1920	92	44	119.13	119.13	NUM
eurjchem-1920	92	45	c15	c15	PROPN
eurjchem-1920	92	46	-	-	PUNCT
eurjchem-1920	92	47	c16	c16	NOUN
eurjchem-1920	92	48	-	-	PUNCT
eurjchem-1920	92	49	c17	c17	NOUN
eurjchem-1920	92	50	121.11(16	121.11(16	NOUN
eurjchem-1920	92	51	)	)	PUNCT
eurjchem-1920	92	52	121.73	121.73	NUM
eurjchem-1920	92	53	121.50	121.50	NUM
eurjchem-1920	92	54	121.75	121.75	NUM
eurjchem-1920	92	55	121.55	121.55	NUM
eurjchem-1920	92	56	121.70	121.70	NUM
eurjchem-1920	92	57	121.51	121.51	NUM
eurjchem-1920	92	58	121.20	121.20	NUM
eurjchem-1920	92	59	121.22	121.22	NUM
eurjchem-1920	92	60	121.80	121.80	NUM
eurjchem-1920	92	61	121.60	121.60	NUM
eurjchem-1920	92	62	c12	c12	NOUN
eurjchem-1920	92	63	-	-	PUNCT
eurjchem-1920	92	64	c17	c17	NOUN
eurjchem-1920	92	65	-	-	PUNCT
eurjchem-1920	92	66	c16	c16	PROPN
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eurjchem-1920	92	68	)	)	PUNCT
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eurjchem-1920	92	70	119.46	119.46	NUM
eurjchem-1920	92	71	119.28	119.28	NUM
eurjchem-1920	92	72	119.39	119.39	NUM
eurjchem-1920	92	73	119.27	119.27	NUM
eurjchem-1920	92	74	119.41	119.41	NUM
eurjchem-1920	92	75	119.78	119.78	NUM
eurjchem-1920	92	76	119.80	119.80	NUM
eurjchem-1920	92	77	119.26	119.26	NUM
eurjchem-1920	92	78	119.36	119.36	NUM
eurjchem-1920	92	79	c12	c12	NOUN
eurjchem-1920	92	80	-	-	PUNCT
eurjchem-1920	92	81	c17	c17	NOUN
eurjchem-1920	92	82	-	-	PUNCT
eurjchem-1920	92	83	n18	n18	NOUN
eurjchem-1920	92	84	125.11(15	125.11(15	PROPN
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eurjchem-1920	92	87	124.82	124.82	NUM
eurjchem-1920	92	88	125.67	125.67	NUM
eurjchem-1920	92	89	124.85	124.85	NUM
eurjchem-1920	92	90	125.80	125.80	NUM
eurjchem-1920	92	91	124.99	124.99	NUM
eurjchem-1920	92	92	123.67	123.67	NUM
eurjchem-1920	92	93	123.54	123.54	NUM
eurjchem-1920	92	94	125.83	125.83	NUM
eurjchem-1920	92	95	125.03	125.03	NUM
eurjchem-1920	92	96	c16	c16	NOUN
eurjchem-1920	92	97	-	-	PUNCT
eurjchem-1920	92	98	c17	c17	NOUN
eurjchem-1920	92	99	-	-	PUNCT
eurjchem-1920	92	100	n18	n18	NOUN
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eurjchem-1920	92	104	115.66	115.66	NUM
eurjchem-1920	92	105	115.00	115.00	NUM
eurjchem-1920	92	106	115.72	115.72	NUM
eurjchem-1920	92	107	114.87	114.87	NUM
eurjchem-1920	92	108	115.56	115.56	NUM
eurjchem-1920	92	109	116.46	116.46	NUM
eurjchem-1920	92	110	116.60	116.60	NUM
eurjchem-1920	92	111	114.86	114.86	NUM
eurjchem-1920	92	112	115.57	115.57	NUM
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eurjchem-1920	92	114	-	-	PUNCT
eurjchem-1920	92	115	n18	n18	PROPN
eurjchem-1920	92	116	-	-	PUNCT
eurjchem-1920	92	117	c19	c19	NOUN
eurjchem-1920	92	118	125.61(14	125.61(14	NOUN
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eurjchem-1920	92	121	126.83	126.83	NUM
eurjchem-1920	92	122	127.71	127.71	NUM
eurjchem-1920	92	123	126.80	126.80	NUM
eurjchem-1920	92	124	128.24	128.24	NUM
eurjchem-1920	92	125	127.27	127.27	NUM
eurjchem-1920	92	126	124.79	124.79	NUM
eurjchem-1920	92	127	124.60	124.60	NUM
eurjchem-1920	92	128	127.75	127.75	NUM
eurjchem-1920	92	129	126.86	126.86	NUM
eurjchem-1920	92	130	n18	n18	PROPN
eurjchem-1920	92	131	-	-	PUNCT
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eurjchem-1920	92	133	-	-	PUNCT
eurjchem-1920	92	134	o20	o20	NOUN
eurjchem-1920	92	135	126.42(16	126.42(16	NOUN
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eurjchem-1920	92	138	126.25	126.25	NUM
eurjchem-1920	92	139	126.39	126.39	NUM
eurjchem-1920	92	140	126.34	126.34	NUM
eurjchem-1920	92	141	126.49	126.49	NUM
eurjchem-1920	92	142	126.48	126.48	NUM
eurjchem-1920	92	143	125.62	125.62	NUM
eurjchem-1920	92	144	125.58	125.58	NUM
eurjchem-1920	92	145	126.36	126.36	NUM
eurjchem-1920	92	146	126.30	126.30	NUM
eurjchem-1920	92	147	n18	n18	PROPN
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eurjchem-1920	92	150	-	-	PUNCT
eurjchem-1920	92	151	c21	c21	NOUN
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eurjchem-1920	92	156	113.97	113.97	NUM
eurjchem-1920	92	157	114.12	114.12	NUM
eurjchem-1920	92	158	114.02	114.02	NUM
eurjchem-1920	92	159	114.09	114.09	NUM
eurjchem-1920	92	160	115.80	115.80	NUM
eurjchem-1920	92	161	115.63	115.63	NUM
eurjchem-1920	92	162	113.95	113.95	NUM
eurjchem-1920	92	163	114.09	114.09	NUM
eurjchem-1920	92	164	o20	o20	NUM
eurjchem-1920	92	165	-	-	PUNCT
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eurjchem-1920	92	167	-	-	PUNCT
eurjchem-1920	92	168	c21	c21	NOUN
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eurjchem-1920	92	173	119.53	119.53	NUM
eurjchem-1920	92	174	119.42	119.42	NUM
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eurjchem-1920	92	176	119.33	119.33	NUM
eurjchem-1920	92	177	118.44	118.44	NUM
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eurjchem-1920	92	179	119.60	119.60	NUM
eurjchem-1920	92	180	119.49	119.49	NUM
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eurjchem-1920	92	182	-	-	PUNCT
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eurjchem-1920	92	184	-	-	PUNCT
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eurjchem-1920	92	189	106.09	106.09	NUM
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eurjchem-1920	92	191	105.92	105.92	NUM
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eurjchem-1920	92	193	106.26	106.26	NUM
eurjchem-1920	92	194	105.40	105.40	NUM
eurjchem-1920	92	195	105.34	105.34	NUM
eurjchem-1920	92	196	106.40	106.40	NUM
eurjchem-1920	92	197	105.96	105.96	NUM
eurjchem-1920	92	198	c19	c19	NOUN
eurjchem-1920	92	199	-	-	PUNCT
eurjchem-1920	92	200	c21	c21	NOUN
eurjchem-1920	92	201	-	-	PUNCT
eurjchem-1920	92	202	cl29	cl29	PROPN
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eurjchem-1920	92	206	110.17	110.17	NUM
eurjchem-1920	92	207	110.09	110.09	NUM
eurjchem-1920	92	208	110.05	110.05	NUM
eurjchem-1920	92	209	110.42	110.42	NUM
eurjchem-1920	92	210	110.34	110.34	NUM
eurjchem-1920	92	211	110.14	110.14	NUM
eurjchem-1920	92	212	110.11	110.11	NUM
eurjchem-1920	92	213	110.05	110.05	NUM
eurjchem-1920	92	214	110.02	110.02	NUM
eurjchem-1920	92	215	c19	c19	NOUN
eurjchem-1920	92	216	-	-	PUNCT
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eurjchem-1920	92	218	-	-	PUNCT
eurjchem-1920	92	219	cl30	cl30	PROPN
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eurjchem-1920	92	223	112.24	112.24	NUM
eurjchem-1920	92	224	111.71	111.71	NUM
eurjchem-1920	92	225	112.05	112.05	NUM
eurjchem-1920	92	226	112.10	112.10	NUM
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eurjchem-1920	92	228	113.34	113.34	NUM
eurjchem-1920	92	229	113.32	113.32	NUM
eurjchem-1920	92	230	111.49	111.49	NUM
eurjchem-1920	92	231	111.84	111.84	NUM
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eurjchem-1920	92	233	-	-	PUNCT
eurjchem-1920	92	234	c21	c21	NOUN
eurjchem-1920	92	235	-	-	PUNCT
eurjchem-1920	92	236	cl29	cl29	PROPN
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eurjchem-1920	92	239	109.90	109.90	NUM
eurjchem-1920	92	240	109.85	109.85	NUM
eurjchem-1920	92	241	109.99	109.99	NUM
eurjchem-1920	92	242	109.94	109.94	NUM
eurjchem-1920	92	243	109.91	109.91	NUM
eurjchem-1920	92	244	109.81	109.81	NUM
eurjchem-1920	92	245	109.99	109.99	NUM
eurjchem-1920	92	246	109.95	109.95	NUM
eurjchem-1920	92	247	109.98	109.98	NUM
eurjchem-1920	92	248	109.94	109.94	NUM
eurjchem-1920	92	249	2019	2019	NUM
eurjchem-1920	92	250	–	–	PUNCT
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eurjchem-1920	92	252	journal	journal	NOUN
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eurjchem-1920	92	254	chemistry	chemistry	NOUN
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eurjchem-1920	92	272	european	european	PROPN
eurjchem-1920	92	273	journal	journal	PROPN
eurjchem-1920	92	274	of	of	ADP
eurjchem-1920	92	275	chemistry	chemistry	NOUN
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eurjchem-1920	92	278	4	4	NUM
eurjchem-1920	92	279	)	)	PUNCT
eurjchem-1920	92	280	(	(	PUNCT
eurjchem-1920	92	281	2019	2019	NUM
eurjchem-1920	92	282	)	)	PUNCT
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eurjchem-1920	92	284	-	-	SYM
eurjchem-1920	92	285	335	335	NUM
eurjchem-1920	92	286	327	327	NUM
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eurjchem-1920	92	288	1	1	NUM
eurjchem-1920	92	289	.	.	PUNCT
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eurjchem-1920	92	291	.	.	PUNCT
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eurjchem-1920	93	2	experimental	experimental	PROPN
eurjchem-1920	93	3	,	,	PUNCT
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eurjchem-1920	94	1	mpw1pw	mpw1pw	NUM
eurjchem-1920	94	2	6	6	NUM
eurjchem-1920	94	3	-	-	SYM
eurjchem-1920	94	4	31	31	NUM
eurjchem-1920	94	5	6	6	NUM
eurjchem-1920	94	6	-	-	SYM
eurjchem-1920	94	7	311	311	NUM
eurjchem-1920	94	8	6	6	NUM
eurjchem-1920	94	9	-	-	SYM
eurjchem-1920	94	10	31	31	NUM
eurjchem-1920	94	11	6	6	NUM
eurjchem-1920	94	12	-	-	SYM
eurjchem-1920	94	13	311	311	NUM
eurjchem-1920	94	14	6	6	NUM
eurjchem-1920	94	15	-	-	SYM
eurjchem-1920	94	16	31	31	NUM
eurjchem-1920	94	17	6	6	NUM
eurjchem-1920	94	18	-	-	SYM
eurjchem-1920	94	19	311	311	NUM
eurjchem-1920	94	20	6	6	NUM
eurjchem-1920	94	21	-	-	SYM
eurjchem-1920	94	22	31	31	NUM
eurjchem-1920	94	23	6	6	NUM
eurjchem-1920	94	24	-	-	SYM
eurjchem-1920	94	25	311	311	NUM
eurjchem-1920	94	26	6	6	NUM
eurjchem-1920	94	27	-	-	SYM
eurjchem-1920	94	28	31	31	NUM
eurjchem-1920	94	29	6	6	NUM
eurjchem-1920	94	30	-	-	SYM
eurjchem-1920	94	31	311	311	NUM
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eurjchem-1920	94	33	-	-	PUNCT
eurjchem-1920	94	34	c21	c21	NOUN
eurjchem-1920	94	35	-	-	PUNCT
eurjchem-1920	94	36	cl30	cl30	PROPN
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eurjchem-1920	94	41	108.93	108.93	NUM
eurjchem-1920	94	42	109.07	109.07	NUM
eurjchem-1920	94	43	108.54	108.54	NUM
eurjchem-1920	94	44	108.58	108.58	NUM
eurjchem-1920	94	45	108.81	108.81	NUM
eurjchem-1920	94	46	108.86	108.86	NUM
eurjchem-1920	94	47	109.04	109.04	NUM
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eurjchem-1920	94	49	cl29	cl29	PROPN
eurjchem-1920	94	50	-	-	PUNCT
eurjchem-1920	94	51	c21	c21	NOUN
eurjchem-1920	94	52	-	-	PUNCT
eurjchem-1920	94	53	cl30	cl30	PROPN
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eurjchem-1920	94	55	)	)	PUNCT
eurjchem-1920	94	56	109.54	109.54	NUM
eurjchem-1920	94	57	109.50	109.50	NUM
eurjchem-1920	94	58	109.72	109.72	NUM
eurjchem-1920	94	59	109.74	109.74	NUM
eurjchem-1920	94	60	109.38	109.38	NUM
eurjchem-1920	94	61	109.31	109.31	NUM
eurjchem-1920	94	62	109.09	109.09	NUM
eurjchem-1920	94	63	109.17	109.17	NUM
eurjchem-1920	94	64	109.81	109.81	NUM
eurjchem-1920	94	65	109.83	109.83	NUM
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eurjchem-1920	94	67	-	-	PUNCT
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eurjchem-1920	94	69	-	-	PUNCT
eurjchem-1920	94	70	o23	o23	NOUN
eurjchem-1920	94	71	122.91(16	122.91(16	NOUN
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eurjchem-1920	95	2	122.88	122.88	NUM
eurjchem-1920	95	3	122.56	122.56	NUM
eurjchem-1920	95	4	122.88	122.88	NUM
eurjchem-1920	95	5	122.50	122.50	NUM
eurjchem-1920	95	6	122.88	122.88	NUM
eurjchem-1920	95	7	123.28	123.28	NUM
eurjchem-1920	95	8	123.43	123.43	NUM
eurjchem-1920	95	9	122.54	122.54	NUM
eurjchem-1920	95	10	122.84	122.84	NUM
eurjchem-1920	95	11	n11	n11	PROPN
eurjchem-1920	95	12	-	-	PUNCT
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eurjchem-1920	95	14	-	-	PUNCT
eurjchem-1920	95	15	c24	c24	PROPN
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eurjchem-1920	95	20	120.61	120.61	NUM
eurjchem-1920	95	21	120.04	120.04	NUM
eurjchem-1920	95	22	120.74	120.74	NUM
eurjchem-1920	95	23	120.27	120.27	NUM
eurjchem-1920	95	24	120.37	120.37	NUM
eurjchem-1920	95	25	119.91	119.91	NUM
eurjchem-1920	95	26	120.56	120.56	NUM
eurjchem-1920	95	27	120.02	120.02	NUM
eurjchem-1920	95	28	o23	o23	NOUN
eurjchem-1920	95	29	-	-	PUNCT
eurjchem-1920	95	30	c22	c22	NOUN
eurjchem-1920	95	31	-	-	PUNCT
eurjchem-1920	95	32	c24	c24	NOUN
eurjchem-1920	95	33	117.14(15	117.14(15	NUM
eurjchem-1920	95	34	)	)	PUNCT
eurjchem-1920	95	35	116.61	116.61	NUM
eurjchem-1920	95	36	116.77	116.77	NUM
eurjchem-1920	95	37	116.78	116.78	NUM
eurjchem-1920	95	38	117.00	117.00	NUM
eurjchem-1920	95	39	116.69	116.69	NUM
eurjchem-1920	95	40	116.75	116.75	NUM
eurjchem-1920	95	41	116.24	116.24	NUM
eurjchem-1920	95	42	116.54	116.54	NUM
eurjchem-1920	95	43	116.86	116.86	NUM
eurjchem-1920	95	44	117.06	117.06	NUM
eurjchem-1920	95	45	c22	c22	NOUN
eurjchem-1920	95	46	-	-	PUNCT
eurjchem-1920	95	47	c24	c24	NOUN
eurjchem-1920	95	48	-	-	PUNCT
eurjchem-1920	95	49	cl31	cl31	PROPN
eurjchem-1920	95	50	115.16(12	115.16(12	NUM
eurjchem-1920	95	51	)	)	PUNCT
eurjchem-1920	95	52	116.31	116.31	NUM
eurjchem-1920	95	53	116.46	116.46	NUM
eurjchem-1920	95	54	116.10	116.10	NUM
eurjchem-1920	95	55	116.28	116.28	NUM
eurjchem-1920	95	56	116.76	116.76	NUM
eurjchem-1920	95	57	117.04	117.04	NUM
eurjchem-1920	95	58	115.77	115.77	NUM
eurjchem-1920	95	59	115.85	115.85	NUM
eurjchem-1920	95	60	115.93	115.93	NUM
eurjchem-1920	95	61	116.12	116.12	NUM
eurjchem-1920	95	62	c22	c22	NOUN
eurjchem-1920	95	63	-	-	PUNCT
eurjchem-1920	95	64	c24	c24	NOUN
eurjchem-1920	95	65	-	-	PUNCT
eurjchem-1920	95	66	cl32	cl32	PROPN
eurjchem-1920	95	67	109.41(12	109.41(12	NUM
eurjchem-1920	95	68	)	)	PUNCT
eurjchem-1920	95	69	107.62	107.62	NUM
eurjchem-1920	95	70	107.81	107.81	NUM
eurjchem-1920	95	71	107.60	107.60	NUM
eurjchem-1920	95	72	107.69	107.69	NUM
eurjchem-1920	95	73	107.55	107.55	NUM
eurjchem-1920	95	74	107.68	107.68	NUM
eurjchem-1920	95	75	108.47	108.47	NUM
eurjchem-1920	95	76	108.46	108.46	NUM
eurjchem-1920	95	77	107.57	107.57	NUM
eurjchem-1920	95	78	107.66	107.66	NUM
eurjchem-1920	95	79	c22	c22	NOUN
eurjchem-1920	95	80	-	-	PUNCT
eurjchem-1920	95	81	c24	c24	NOUN
eurjchem-1920	95	82	-	-	PUNCT
eurjchem-1920	95	83	cl33	cl33	PROPN
eurjchem-1920	95	84	106.30(12	106.30(12	NUM
eurjchem-1920	95	85	)	)	PUNCT
eurjchem-1920	95	86	107.19	107.19	NUM
eurjchem-1920	96	1	106.80	106.80	NUM
eurjchem-1920	96	2	107.01	107.01	NUM
eurjchem-1920	96	3	106.65	106.65	NUM
eurjchem-1920	96	4	107.28	107.28	NUM
eurjchem-1920	96	5	106.88	106.88	NUM
eurjchem-1920	96	6	106.74	106.74	NUM
eurjchem-1920	96	7	106.62	106.62	NUM
eurjchem-1920	96	8	107.04	107.04	NUM
eurjchem-1920	96	9	106.71	106.71	NUM
eurjchem-1920	96	10	cl31	cl31	PROPN
eurjchem-1920	96	11	-	-	PUNCT
eurjchem-1920	96	12	c24	c24	NOUN
eurjchem-1920	96	13	-	-	PUNCT
eurjchem-1920	96	14	cl32	cl32	PROPN
eurjchem-1920	96	15	110.36(10	110.36(10	NUM
eurjchem-1920	96	16	)	)	PUNCT
eurjchem-1920	96	17	109.85	109.85	NUM
eurjchem-1920	96	18	109.82	109.82	NUM
eurjchem-1920	96	19	109.99	109.99	NUM
eurjchem-1920	96	20	109.98	109.98	NUM
eurjchem-1920	96	21	109.66	109.66	NUM
eurjchem-1920	96	22	109.57	109.57	NUM
eurjchem-1920	96	23	109.87	109.87	NUM
eurjchem-1920	96	24	109.86	109.86	NUM
eurjchem-1920	96	25	110.04	110.04	NUM
eurjchem-1920	96	26	110.04	110.04	NUM
eurjchem-1920	96	27	cl31	cl31	PROPN
eurjchem-1920	96	28	-	-	PUNCT
eurjchem-1920	96	29	c24	c24	NOUN
eurjchem-1920	96	30	-	-	PUNCT
eurjchem-1920	96	31	cl33	cl33	PROPN
eurjchem-1920	96	32	107.66(9	107.66(9	NUM
eurjchem-1920	96	33	)	)	PUNCT
eurjchem-1920	96	34	107.56	107.56	NUM
eurjchem-1920	96	35	107.59	107.59	NUM
eurjchem-1920	96	36	107.78	107.78	NUM
eurjchem-1920	96	37	107.83	107.83	NUM
eurjchem-1920	96	38	107.43	107.43	NUM
eurjchem-1920	96	39	107.43	107.43	NUM
eurjchem-1920	96	40	107.45	107.45	NUM
eurjchem-1920	96	41	107.54	107.54	NUM
eurjchem-1920	96	42	107.85	107.85	NUM
eurjchem-1920	96	43	107.89	107.89	NUM
eurjchem-1920	96	44	cl32	cl32	PROPN
eurjchem-1920	96	45	-	-	PUNCT
eurjchem-1920	96	46	c24	c24	NOUN
eurjchem-1920	96	47	-	-	PUNCT
eurjchem-1920	96	48	cl33	cl33	PROPN
eurjchem-1920	96	49	107.59(9	107.59(9	NUM
eurjchem-1920	96	50	)	)	PUNCT
eurjchem-1920	96	51	108.02	108.02	NUM
eurjchem-1920	96	52	108.05	108.05	NUM
eurjchem-1920	96	53	108.08	108.08	NUM
eurjchem-1920	96	54	108.10	108.10	NUM
eurjchem-1920	96	55	107.83	107.83	NUM
eurjchem-1920	96	56	107.89	107.89	NUM
eurjchem-1920	96	57	108.27	108.27	NUM
eurjchem-1920	96	58	108.24	108.24	NUM
eurjchem-1920	96	59	108.13	108.13	NUM
eurjchem-1920	96	60	108.13	108.13	NUM
eurjchem-1920	96	61	r	r	NOUN
eurjchem-1920	96	62	0.9886	0.9886	NUM
eurjchem-1920	96	63	0.9908	0.9908	NUM
eurjchem-1920	96	64	0.9885	0.9885	NUM
eurjchem-1920	96	65	0.9906	0.9906	NUM
eurjchem-1920	96	66	0.9877	0.9877	NUM
eurjchem-1920	96	67	0.9891	0.9891	NUM
eurjchem-1920	96	68	0.9851	0.9851	NUM
eurjchem-1920	96	69	0.9846	0.9846	NUM
eurjchem-1920	96	70	0.9880	0.9880	NUM
eurjchem-1920	96	71	0.9904	0.9904	NUM
eurjchem-1920	96	72	*	*	PUNCT
eurjchem-1920	96	73	6	6	NUM
eurjchem-1920	96	74	-	-	SYM
eurjchem-1920	96	75	31	31	NUM
eurjchem-1920	96	76	:	:	PUNCT
eurjchem-1920	96	77	6	6	NUM
eurjchem-1920	96	78	-	-	SYM
eurjchem-1920	96	79	31g(d	31g(d	NUM
eurjchem-1920	96	80	,	,	PUNCT
eurjchem-1920	96	81	p	p	NOUN
eurjchem-1920	96	82	)	)	PUNCT
eurjchem-1920	96	83	;	;	PUNCT
eurjchem-1920	96	84	6	6	NUM
eurjchem-1920	96	85	-	-	SYM
eurjchem-1920	96	86	311	311	NUM
eurjchem-1920	96	87	:	:	PUNCT
eurjchem-1920	96	88	6	6	NUM
eurjchem-1920	96	89	-	-	SYM
eurjchem-1920	96	90	311g(d	311g(d	NUM
eurjchem-1920	96	91	,	,	PUNCT
eurjchem-1920	96	92	p	p	NOUN
eurjchem-1920	96	93	)	)	PUNCT
eurjchem-1920	96	94	;	;	PUNCT
eurjchem-1920	96	95	the	the	DET
eurjchem-1920	96	96	atom	atom	NOUN
eurjchem-1920	96	97	numbering	numbering	NOUN
eurjchem-1920	96	98	scheme	scheme	NOUN
eurjchem-1920	96	99	given	give	VERB
eurjchem-1920	96	100	in	in	ADP
eurjchem-1920	96	101	figure	figure	NOUN
eurjchem-1920	96	102	2(a	2(a	NUM
eurjchem-1920	96	103	)	)	PUNCT
eurjchem-1920	96	104	.	.	PUNCT
eurjchem-1920	97	1	as	as	ADP
eurjchem-1920	97	2	a	a	DET
eurjchem-1920	97	3	result	result	NOUN
eurjchem-1920	97	4	,	,	PUNCT
eurjchem-1920	97	5	the	the	DET
eurjchem-1920	97	6	unscaled	unscaled	ADJ
eurjchem-1920	97	7	calculated	calculate	VERB
eurjchem-1920	97	8	frequencies	frequency	NOUN
eurjchem-1920	97	9	,	,	PUNCT
eurjchem-1920	97	10	reduced	reduce	VERB
eurjchem-1920	97	11	masses	masse	NOUN
eurjchem-1920	97	12	,	,	PUNCT
eurjchem-1920	97	13	force	force	NOUN
eurjchem-1920	97	14	constants	constant	NOUN
eurjchem-1920	97	15	and	and	CCONJ
eurjchem-1920	97	16	infrared	infrared	ADJ
eurjchem-1920	97	17	intensities	intensity	NOUN
eurjchem-1920	97	18	are	be	AUX
eurjchem-1920	97	19	obtained	obtain	VERB
eurjchem-1920	97	20	.	.	PUNCT
eurjchem-1920	98	1	it	it	PRON
eurjchem-1920	98	2	can	can	AUX
eurjchem-1920	98	3	be	be	AUX
eurjchem-1920	98	4	said	say	VERB
eurjchem-1920	98	5	that	that	SCONJ
eurjchem-1920	98	6	x	x	PROPN
eurjchem-1920	98	7	-	-	NOUN
eurjchem-1920	98	8	ray	ray	ADJ
eurjchem-1920	98	9	single	single	ADJ
eurjchem-1920	98	10	crystal	crystal	PROPN
eurjchem-1920	98	11	geometrical	geometrical	ADJ
eurjchem-1920	98	12	parameters	parameter	NOUN
eurjchem-1920	98	13	fairly	fairly	ADV
eurjchem-1920	98	14	well	well	ADV
eurjchem-1920	98	15	reproduced	reproduce	VERB
eurjchem-1920	98	16	the	the	DET
eurjchem-1920	98	17	optimized	optimize	VERB
eurjchem-1920	98	18	geometry	geometry	NOUN
eurjchem-1920	98	19	when	when	SCONJ
eurjchem-1920	98	20	the	the	DET
eurjchem-1920	98	21	theoretical	theoretical	ADJ
eurjchem-1920	98	22	and	and	CCONJ
eurjchem-1920	98	23	experimental	experimental	ADJ
eurjchem-1920	98	24	geometry	geometry	NOUN
eurjchem-1920	98	25	of	of	ADP
eurjchem-1920	98	26	h2lnnn	h2lnnn	PROPN
eurjchem-1920	98	27	compound	compound	NOUN
eurjchem-1920	98	28	was	be	AUX
eurjchem-1920	98	29	compared	compare	VERB
eurjchem-1920	98	30	to	to	ADP
eurjchem-1920	98	31	each	each	DET
eurjchem-1920	98	32	other	other	ADJ
eurjchem-1920	98	33	.	.	PUNCT
eurjchem-1920	99	1	based	base	VERB
eurjchem-1920	99	2	on	on	ADP
eurjchem-1920	99	3	this	this	DET
eurjchem-1920	99	4	comparison	comparison	NOUN
eurjchem-1920	99	5	,	,	PUNCT
eurjchem-1920	99	6	the	the	DET
eurjchem-1920	99	7	bond	bond	NOUN
eurjchem-1920	99	8	lengths	length	NOUN
eurjchem-1920	99	9	and	and	CCONJ
eurjchem-1920	99	10	angles	angle	NOUN
eurjchem-1920	99	11	calculated	calculate	VERB
eurjchem-1920	99	12	for	for	ADP
eurjchem-1920	99	13	h2lnnn	h2lnnn	NOUN
eurjchem-1920	99	14	compound	compound	NOUN
eurjchem-1920	99	15	show	show	VERB
eurjchem-1920	99	16	good	good	ADJ
eurjchem-1920	99	17	agreement	agreement	NOUN
eurjchem-1920	99	18	with	with	ADP
eurjchem-1920	99	19	experiment	experiment	NOUN
eurjchem-1920	99	20	one	one	NUM
eurjchem-1920	99	21	.	.	PUNCT
eurjchem-1920	100	1	according	accord	VERB
eurjchem-1920	100	2	to	to	ADP
eurjchem-1920	100	3	our	our	PRON
eurjchem-1920	100	4	calculations	calculation	NOUN
eurjchem-1920	100	5	,	,	PUNCT
eurjchem-1920	100	6	the	the	DET
eurjchem-1920	100	7	optimized	optimize	VERB
eurjchem-1920	100	8	bond	bond	NOUN
eurjchem-1920	100	9	lengths	length	NOUN
eurjchem-1920	100	10	and	and	CCONJ
eurjchem-1920	100	11	bond	bond	NOUN
eurjchem-1920	100	12	angles	angle	NOUN
eurjchem-1920	100	13	obtained	obtain	VERB
eurjchem-1920	100	14	by	by	ADP
eurjchem-1920	100	15	mpw1pw91/6	mpw1pw91/6	PROPN
eurjchem-1920	100	16	-	-	PUNCT
eurjchem-1920	100	17	311g(d	311g(d	PROPN
eurjchem-1920	100	18	,	,	PUNCT
eurjchem-1920	100	19	p	p	NOUN
eurjchem-1920	100	20	)	)	PUNCT
eurjchem-1920	100	21	and	and	CCONJ
eurjchem-1920	100	22	b3lyp/6	b3lyp/6	PROPN
eurjchem-1920	100	23	-	-	PROPN
eurjchem-1920	100	24	311	311	NUM
eurjchem-1920	100	25	g	g	NOUN
eurjchem-1920	100	26	(	(	PUNCT
eurjchem-1920	100	27	d	d	PROPN
eurjchem-1920	100	28	,	,	PUNCT
eurjchem-1920	100	29	p	p	NOUN
eurjchem-1920	100	30	)	)	PUNCT
eurjchem-1920	100	31	methods	method	NOUN
eurjchem-1920	100	32	,	,	PUNCT
eurjchem-1920	100	33	respectively	respectively	ADV
eurjchem-1920	100	34	,	,	PUNCT
eurjchem-1920	100	35	show	show	VERB
eurjchem-1920	100	36	the	the	DET
eurjchem-1920	100	37	best	good	ADJ
eurjchem-1920	100	38	agreement	agreement	NOUN
eurjchem-1920	100	39	with	with	ADP
eurjchem-1920	100	40	the	the	DET
eurjchem-1920	100	41	experimental	experimental	ADJ
eurjchem-1920	100	42	values	value	NOUN
eurjchem-1920	100	43	.	.	PUNCT
eurjchem-1920	101	1	the	the	DET
eurjchem-1920	101	2	largest	large	ADJ
eurjchem-1920	101	3	difference	difference	NOUN
eurjchem-1920	101	4	between	between	ADP
eurjchem-1920	101	5	experimental	experimental	ADJ
eurjchem-1920	101	6	and	and	CCONJ
eurjchem-1920	101	7	calculated	calculated	ADJ
eurjchem-1920	101	8	bond	bond	NOUN
eurjchem-1920	101	9	lengths	length	NOUN
eurjchem-1920	101	10	and	and	CCONJ
eurjchem-1920	101	11	bond	bond	NOUN
eurjchem-1920	101	12	angles	angle	NOUN
eurjchem-1920	101	13	are	be	AUX
eurjchem-1920	101	14	0.020	0.020	NUM
eurjchem-1920	101	15	å	å	NOUN
eurjchem-1920	101	16	and	and	CCONJ
eurjchem-1920	101	17	2.05	2.05	NUM
eurjchem-1920	101	18	°	°	NOUN
eurjchem-1920	101	19	,	,	PUNCT
eurjchem-1920	101	20	respectively	respectively	ADV
eurjchem-1920	101	21	[	[	X
eurjchem-1920	101	22	21	21	NUM
eurjchem-1920	101	23	]	]	SYM
eurjchem-1920	101	24	.	.	PUNCT
eurjchem-1920	102	1	3.2	3.2	NUM
eurjchem-1920	102	2	.	.	PUNCT
eurjchem-1920	103	1	vibrational	vibrational	ADJ
eurjchem-1920	103	2	assignments	assignment	NOUN
eurjchem-1920	103	3	the	the	DET
eurjchem-1920	103	4	vibrational	vibrational	ADJ
eurjchem-1920	103	5	frequencies	frequency	NOUN
eurjchem-1920	103	6	obtained	obtain	VERB
eurjchem-1920	103	7	by	by	ADP
eurjchem-1920	103	8	hf	hf	ADP
eurjchem-1920	103	9	and	and	CCONJ
eurjchem-1920	103	10	dft	dft	PROPN
eurjchem-1920	103	11	calculation	calculation	NOUN
eurjchem-1920	103	12	methods	method	NOUN
eurjchem-1920	103	13	are	be	AUX
eurjchem-1920	103	14	summarized	summarize	VERB
eurjchem-1920	103	15	in	in	ADP
eurjchem-1920	103	16	table	table	NOUN
eurjchem-1920	103	17	2	2	NUM
eurjchem-1920	103	18	along	along	ADP
eurjchem-1920	103	19	with	with	ADP
eurjchem-1920	103	20	the	the	DET
eurjchem-1920	103	21	approximate	approximate	ADJ
eurjchem-1920	103	22	description	description	NOUN
eurjchem-1920	103	23	of	of	ADP
eurjchem-1920	103	24	each	each	PRON
eurjchem-1920	103	25	of	of	ADP
eurjchem-1920	103	26	the	the	DET
eurjchem-1920	103	27	normal	normal	ADJ
eurjchem-1920	103	28	modes	mode	NOUN
eurjchem-1920	103	29	and	and	CCONJ
eurjchem-1920	103	30	experimental	experimental	ADJ
eurjchem-1920	103	31	frequencies	frequency	NOUN
eurjchem-1920	103	32	(	(	PUNCT
eurjchem-1920	103	33	figure	figure	NOUN
eurjchem-1920	103	34	1	1	NUM
eurjchem-1920	103	35	)	)	PUNCT
eurjchem-1920	103	36	.	.	PUNCT
eurjchem-1920	104	1	usually	usually	ADV
eurjchem-1920	104	2	,	,	PUNCT
eurjchem-1920	104	3	anharmonicity	anharmonicity	NOUN
eurjchem-1920	104	4	of	of	ADP
eurjchem-1920	104	5	the	the	DET
eurjchem-1920	104	6	incomplete	incomplete	ADJ
eurjchem-1920	104	7	incorporation	incorporation	NOUN
eurjchem-1920	104	8	of	of	ADP
eurjchem-1920	104	9	electron	electron	NOUN
eurjchem-1920	104	10	correlation	correlation	NOUN
eurjchem-1920	104	11	and	and	CCONJ
eurjchem-1920	104	12	of	of	ADP
eurjchem-1920	104	13	the	the	DET
eurjchem-1920	104	14	use	use	NOUN
eurjchem-1920	104	15	of	of	ADP
eurjchem-1920	104	16	finite	finite	ADJ
eurjchem-1920	104	17	one	one	NUM
eurjchem-1920	104	18	-	-	PUNCT
eurjchem-1920	104	19	particle	particle	NOUN
eurjchem-1920	104	20	basis	basis	NOUN
eurjchem-1920	104	21	set	set	NOUN
eurjchem-1920	104	22	causes	cause	VERB
eurjchem-1920	104	23	the	the	DET
eurjchem-1920	104	24	calculated	calculated	ADJ
eurjchem-1920	104	25	harmonic	harmonic	ADJ
eurjchem-1920	104	26	vibrational	vibrational	NOUN
eurjchem-1920	104	27	wavenumbers	wavenumber	NOUN
eurjchem-1920	104	28	to	to	PART
eurjchem-1920	104	29	be	be	AUX
eurjchem-1920	104	30	higher	high	ADJ
eurjchem-1920	104	31	than	than	ADP
eurjchem-1920	104	32	the	the	DET
eurjchem-1920	104	33	experimental	experimental	ADJ
eurjchem-1920	104	34	values	value	NOUN
eurjchem-1920	104	35	[	[	X
eurjchem-1920	104	36	27	27	NUM
eurjchem-1920	104	37	]	]	PUNCT
eurjchem-1920	104	38	.	.	PUNCT
eurjchem-1920	105	1	for	for	ADP
eurjchem-1920	105	2	this	this	DET
eurjchem-1920	105	3	reason	reason	NOUN
eurjchem-1920	105	4	,	,	PUNCT
eurjchem-1920	105	5	the	the	DET
eurjchem-1920	105	6	scaling	scale	VERB
eurjchem-1920	105	7	factors	factor	NOUN
eurjchem-1920	105	8	of	of	ADP
eurjchem-1920	105	9	0.9614	0.9614	NUM
eurjchem-1920	105	10	,	,	PUNCT
eurjchem-1920	105	11	0.9679	0.9679	NUM
eurjchem-1920	105	12	,	,	PUNCT
eurjchem-1920	105	13	0.9573	0.9573	NUM
eurjchem-1920	105	14	,	,	PUNCT
eurjchem-1920	105	15	0.9631	0.9631	NUM
eurjchem-1920	105	16	,	,	PUNCT
eurjchem-1920	105	17	0.9945	0.9945	NUM
eurjchem-1920	105	18	,	,	PUNCT
eurjchem-1920	105	19	0.9934	0.9934	NUM
eurjchem-1920	105	20	,	,	PUNCT
eurjchem-1920	105	21	0.8992	0.8992	NUM
eurjchem-1920	105	22	,	,	PUNCT
eurjchem-1920	105	23	0.9051	0.9051	NUM
eurjchem-1920	105	24	,	,	PUNCT
eurjchem-1920	105	25	0.9500	0.9500	NUM
eurjchem-1920	105	26	and	and	CCONJ
eurjchem-1920	105	27	0.9567	0.9567	NUM
eurjchem-1920	105	28	were	be	AUX
eurjchem-1920	105	29	used	use	VERB
eurjchem-1920	105	30	for	for	ADP
eurjchem-1920	105	31	b3lyp/6	b3lyp/6	NOUN
eurjchem-1920	105	32	-	-	NOUN
eurjchem-1920	105	33	31g(d	31g(d	PROPN
eurjchem-1920	105	34	,	,	PUNCT
eurjchem-1920	105	35	p	p	NOUN
eurjchem-1920	105	36	)	)	PUNCT
eurjchem-1920	105	37	,	,	PUNCT
eurjchem-1920	105	38	b3lyp/6	b3lyp/6	PROPN
eurjchem-1920	105	39	-	-	NOUN
eurjchem-1920	105	40	311g(d	311g(d	NUM
eurjchem-1920	105	41	,	,	PUNCT
eurjchem-1920	105	42	p	p	NOUN
eurjchem-1920	105	43	)	)	PUNCT
eurjchem-1920	105	44	,	,	PUNCT
eurjchem-1920	105	45	b3pw91/6	b3pw91/6	PROPN
eurjchem-1920	105	46	-	-	SYM
eurjchem-1920	105	47	31g(d	31g(d	NUM
eurjchem-1920	105	48	,	,	PUNCT
eurjchem-1920	105	49	p	p	NOUN
eurjchem-1920	105	50	)	)	PUNCT
eurjchem-1920	105	51	,	,	PUNCT
eurjchem-1920	105	52	b3pw91/6	b3pw91/6	PROPN
eurjchem-1920	105	53	-	-	SYM
eurjchem-1920	105	54	311	311	NUM
eurjchem-1920	105	55	g	g	NOUN
eurjchem-1920	105	56	(	(	PUNCT
eurjchem-1920	105	57	d	d	PROPN
eurjchem-1920	105	58	,	,	PUNCT
eurjchem-1920	105	59	p	p	NOUN
eurjchem-1920	105	60	)	)	PUNCT
eurjchem-1920	105	61	,	,	PUNCT
eurjchem-1920	105	62	blyp/6	blyp/6	PROPN
eurjchem-1920	105	63	-	-	PUNCT
eurjchem-1920	105	64	31g(d	31g(d	PROPN
eurjchem-1920	105	65	,	,	PUNCT
eurjchem-1920	105	66	p	p	NOUN
eurjchem-1920	105	67	)	)	PUNCT
eurjchem-1920	105	68	,	,	PUNCT
eurjchem-1920	105	69	blyp/6	blyp/6	PROPN
eurjchem-1920	105	70	-	-	SYM
eurjchem-1920	105	71	311g(d	311g(d	PROPN
eurjchem-1920	105	72	,	,	PUNCT
eurjchem-1920	105	73	p	p	NOUN
eurjchem-1920	105	74	)	)	PUNCT
eurjchem-1920	105	75	,	,	PUNCT
eurjchem-1920	105	76	hf/6	hf/6	PROPN
eurjchem-1920	105	77	-	-	PUNCT
eurjchem-1920	105	78	31g(d	31g(d	NUM
eurjchem-1920	105	79	,	,	PUNCT
eurjchem-1920	105	80	p	p	NOUN
eurjchem-1920	105	81	)	)	PUNCT
eurjchem-1920	105	82	,	,	PUNCT
eurjchem-1920	105	83	hf/6	hf/6	NOUN
eurjchem-1920	105	84	-	-	PUNCT
eurjchem-1920	105	85	311g(d	311g(d	NUM
eurjchem-1920	105	86	,	,	PUNCT
eurjchem-1920	105	87	p	p	NOUN
eurjchem-1920	105	88	)	)	PUNCT
eurjchem-1920	105	89	,	,	PUNCT
eurjchem-1920	105	90	mpw1pw91/6	mpw1pw91/6	PROPN
eurjchem-1920	105	91	-	-	PUNCT
eurjchem-1920	105	92	31g(d	31g(d	PROPN
eurjchem-1920	105	93	,	,	PUNCT
eurjchem-1920	105	94	p	p	NOUN
eurjchem-1920	105	95	)	)	PUNCT
eurjchem-1920	105	96	and	and	CCONJ
eurjchem-1920	105	97	mpw1pw91/	mpw1pw91/	PROPN
eurjchem-1920	105	98	6	6	NUM
eurjchem-1920	105	99	-	-	SYM
eurjchem-1920	105	100	311g(d	311g(d	NUM
eurjchem-1920	105	101	,	,	PUNCT
eurjchem-1920	105	102	p	p	NOUN
eurjchem-1920	105	103	)	)	PUNCT
eurjchem-1920	105	104	levels	level	NOUN
eurjchem-1920	105	105	,	,	PUNCT
eurjchem-1920	105	106	respectively	respectively	ADV
eurjchem-1920	105	107	[	[	X
eurjchem-1920	105	108	27	27	NUM
eurjchem-1920	105	109	-	-	SYM
eurjchem-1920	105	110	33	33	NUM
eurjchem-1920	105	111	]	]	PUNCT
eurjchem-1920	105	112	.	.	PUNCT
eurjchem-1920	106	1	the	the	DET
eurjchem-1920	106	2	vibrational	vibrational	PROPN
eurjchem-1920	106	3	bands	band	NOUN
eurjchem-1920	106	4	’	'	PUNCT
eurjchem-1920	106	5	assignments	assignment	NOUN
eurjchem-1920	106	6	have	have	AUX
eurjchem-1920	106	7	been	be	AUX
eurjchem-1920	106	8	made	make	VERB
eurjchem-1920	106	9	by	by	ADP
eurjchem-1920	106	10	using	use	VERB
eurjchem-1920	106	11	both	both	CCONJ
eurjchem-1920	106	12	the	the	DET
eurjchem-1920	106	13	animation	animation	NOUN
eurjchem-1920	106	14	option	option	NOUN
eurjchem-1920	106	15	of	of	ADP
eurjchem-1920	106	16	the	the	DET
eurjchem-1920	106	17	gaussview	gaussview	NOUN
eurjchem-1920	106	18	6.0	6.0	NUM
eurjchem-1920	106	19	graphical	graphical	ADJ
eurjchem-1920	106	20	interface	interface	NOUN
eurjchem-1920	106	21	for	for	ADP
eurjchem-1920	106	22	the	the	DET
eurjchem-1920	106	23	gaussian	gaussian	ADJ
eurjchem-1920	106	24	programs	program	NOUN
eurjchem-1920	106	25	[	[	X
eurjchem-1920	106	26	34	34	NUM
eurjchem-1920	106	27	]	]	PUNCT
eurjchem-1920	106	28	and	and	CCONJ
eurjchem-1920	106	29	sqm	sqm	NUM
eurjchem-1920	106	30	2.0	2.0	NUM
eurjchem-1920	106	31	program	program	NOUN
eurjchem-1920	106	32	[	[	X
eurjchem-1920	106	33	36	36	NUM
eurjchem-1920	106	34	]	]	PUNCT
eurjchem-1920	106	35	.	.	PUNCT
eurjchem-1920	107	1	all	all	DET
eurjchem-1920	107	2	the	the	DET
eurjchem-1920	107	3	calculated	calculate	VERB
eurjchem-1920	107	4	spectra	spectra	NOUN
eurjchem-1920	107	5	were	be	AUX
eurjchem-1920	107	6	found	find	VERB
eurjchem-1920	107	7	to	to	PART
eurjchem-1920	107	8	be	be	AUX
eurjchem-1920	107	9	in	in	ADP
eurjchem-1920	107	10	good	good	ADJ
eurjchem-1920	107	11	accordance	accordance	NOUN
eurjchem-1920	107	12	with	with	ADP
eurjchem-1920	107	13	the	the	DET
eurjchem-1920	107	14	experimental	experimental	ADJ
eurjchem-1920	107	15	ones	one	NOUN
eurjchem-1920	107	16	.	.	PUNCT
eurjchem-1920	108	1	considering	consider	VERB
eurjchem-1920	108	2	table	table	NOUN
eurjchem-1920	108	3	2	2	NUM
eurjchem-1920	108	4	,	,	PUNCT
eurjchem-1920	108	5	it	it	PRON
eurjchem-1920	108	6	can	can	AUX
eurjchem-1920	108	7	be	be	AUX
eurjchem-1920	108	8	concluded	conclude	VERB
eurjchem-1920	108	9	that	that	SCONJ
eurjchem-1920	108	10	experimental	experimental	ADJ
eurjchem-1920	108	11	bases	basis	NOUN
eurjchem-1920	108	12	better	well	ADV
eurjchem-1920	108	13	aligned	align	VERB
eurjchem-1920	108	14	with	with	ADP
eurjchem-1920	108	15	the	the	DET
eurjchem-1920	108	16	scaled	scale	VERB
eurjchem-1920	108	17	fundamentals	fundamental	NOUN
eurjchem-1920	108	18	and	and	CCONJ
eurjchem-1920	108	19	have	have	VERB
eurjchem-1920	108	20	a	a	DET
eurjchem-1920	108	21	better	well	ADJ
eurjchem-1920	108	22	correlation	correlation	NOUN
eurjchem-1920	108	23	with	with	ADP
eurjchem-1920	108	24	b3lyp/6	b3lyp/6	NOUN
eurjchem-1920	108	25	-	-	NOUN
eurjchem-1920	108	26	31g(d	31g(d	PROPN
eurjchem-1920	108	27	,	,	PUNCT
eurjchem-1920	108	28	p	p	NOUN
eurjchem-1920	108	29	)	)	PUNCT
eurjchem-1920	108	30	than	than	ADP
eurjchem-1920	108	31	the	the	DET
eurjchem-1920	108	32	other	other	ADJ
eurjchem-1920	108	33	calculations	calculation	NOUN
eurjchem-1920	108	34	methods	method	NOUN
eurjchem-1920	108	35	.	.	PUNCT
eurjchem-1920	109	1	a	a	DET
eurjchem-1920	109	2	general	general	ADJ
eurjchem-1920	109	3	and	and	CCONJ
eurjchem-1920	109	4	better	well	ADJ
eurjchem-1920	109	5	performance	performance	NOUN
eurjchem-1920	109	6	of	of	ADP
eurjchem-1920	109	7	the	the	DET
eurjchem-1920	109	8	used	use	VERB
eurjchem-1920	109	9	calculation	calculation	NOUN
eurjchem-1920	109	10	methods	method	NOUN
eurjchem-1920	109	11	can	can	AUX
eurjchem-1920	109	12	be	be	AUX
eurjchem-1920	109	13	quantitatively	quantitatively	ADV
eurjchem-1920	109	14	characterized	characterize	VERB
eurjchem-1920	109	15	by	by	ADP
eurjchem-1920	109	16	using	use	VERB
eurjchem-1920	109	17	the	the	DET
eurjchem-1920	109	18	mean	mean	ADJ
eurjchem-1920	109	19	absolute	absolute	ADJ
eurjchem-1920	109	20	percentage	percentage	NOUN
eurjchem-1920	109	21	error	error	NOUN
eurjchem-1920	109	22	,	,	PUNCT
eurjchem-1920	109	23	mean	mean	ADJ
eurjchem-1920	109	24	absolute	absolute	ADJ
eurjchem-1920	109	25	error	error	NOUN
eurjchem-1920	109	26	,	,	PUNCT
eurjchem-1920	109	27	root	root	NOUN
eurjchem-1920	109	28	mean	mean	VERB
eurjchem-1920	109	29	square	square	ADJ
eurjchem-1920	109	30	values	value	NOUN
eurjchem-1920	109	31	(	(	PUNCT
eurjchem-1920	109	32	rms	rm	NOUN
eurjchem-1920	109	33	)	)	PUNCT
eurjchem-1920	109	34	and	and	CCONJ
eurjchem-1920	109	35	coefficients	coefficient	NOUN
eurjchem-1920	109	36	of	of	ADP
eurjchem-1920	109	37	correlation	correlation	NOUN
eurjchem-1920	109	38	(	(	PUNCT
eurjchem-1920	109	39	r	r	NOUN
eurjchem-1920	109	40	)	)	PUNCT
eurjchem-1920	109	41	between	between	ADP
eurjchem-1920	109	42	the	the	DET
eurjchem-1920	109	43	theoretically	theoretically	ADV
eurjchem-1920	109	44	calculated	calculate	VERB
eurjchem-1920	109	45	and	and	CCONJ
eurjchem-1920	109	46	experimentally	experimentally	ADV
eurjchem-1920	109	47	observed	observe	VERB
eurjchem-1920	109	48	vibration	vibration	NOUN
eurjchem-1920	109	49	frequencies	frequency	NOUN
eurjchem-1920	109	50	(	(	PUNCT
eurjchem-1920	109	51	table	table	NOUN
eurjchem-1920	109	52	3	3	NUM
eurjchem-1920	109	53	)	)	PUNCT
eurjchem-1920	109	54	.	.	PUNCT
eurjchem-1920	110	1	all	all	DET
eurjchem-1920	110	2	these	these	DET
eurjchem-1920	110	3	values	value	NOUN
eurjchem-1920	110	4	were	be	AUX
eurjchem-1920	110	5	calculated	calculate	VERB
eurjchem-1920	110	6	in	in	ADP
eurjchem-1920	110	7	this	this	DET
eurjchem-1920	110	8	study	study	NOUN
eurjchem-1920	110	9	by	by	ADP
eurjchem-1920	110	10	the	the	DET
eurjchem-1920	110	11	pavf	pavf	NOUN
eurjchem-1920	110	12	1.0	1.0	NUM
eurjchem-1920	110	13	program	program	NOUN
eurjchem-1920	110	14	[	[	X
eurjchem-1920	110	15	37	37	NUM
eurjchem-1920	110	16	]	]	PUNCT
eurjchem-1920	110	17	according	accord	VERB
eurjchem-1920	110	18	to	to	ADP
eurjchem-1920	110	19	scott	scott	PROPN
eurjchem-1920	110	20	and	and	CCONJ
eurjchem-1920	110	21	radom	radom	NOUN
eurjchem-1920	110	22	[	[	X
eurjchem-1920	110	23	27	27	NUM
eurjchem-1920	110	24	]	]	PUNCT
eurjchem-1920	110	25	.	.	PUNCT
eurjchem-1920	111	1	the	the	DET
eurjchem-1920	111	2	rms	rm	NOUN
eurjchem-1920	111	3	values	value	NOUN
eurjchem-1920	111	4	were	be	AUX
eurjchem-1920	111	5	obtained	obtain	VERB
eurjchem-1920	111	6	in	in	ADP
eurjchem-1920	111	7	this	this	DET
eurjchem-1920	111	8	study	study	NOUN
eurjchem-1920	111	9	using	use	VERB
eurjchem-1920	111	10	equation	equation	NOUN
eurjchem-1920	111	11	(	(	PUNCT
eurjchem-1920	111	12	1	1	X
eurjchem-1920	111	13	)	)	PUNCT
eurjchem-1920	112	1	[	[	X
eurjchem-1920	112	2	27,41	27,41	NUM
eurjchem-1920	112	3	]	]	X
eurjchem-1920	112	4	.	.	PUNCT
eurjchem-1920	113	1	the	the	DET
eurjchem-1920	113	2	r	r	NOUN
eurjchem-1920	113	3	values	value	NOUN
eurjchem-1920	113	4	for	for	ADP
eurjchem-1920	113	5	all	all	DET
eurjchem-1920	113	6	dft	dft	NOUN
eurjchem-1920	113	7	methods	method	NOUN
eurjchem-1920	113	8	were	be	AUX
eurjchem-1920	113	9	greater	great	ADJ
eurjchem-1920	113	10	than	than	ADP
eurjchem-1920	113	11	0.9987	0.9987	NUM
eurjchem-1920	113	12	.	.	PUNCT
eurjchem-1920	114	1	these	these	DET
eurjchem-1920	114	2	values	value	NOUN
eurjchem-1920	114	3	are	be	AUX
eurjchem-1920	114	4	very	very	ADV
eurjchem-1920	114	5	close	close	ADJ
eurjchem-1920	114	6	to	to	ADP
eurjchem-1920	114	7	those	those	PRON
eurjchem-1920	114	8	reported	report	VERB
eurjchem-1920	114	9	in	in	ADP
eurjchem-1920	114	10	literature	literature	NOUN
eurjchem-1920	114	11	[	[	X
eurjchem-1920	114	12	28,42,43	28,42,43	NUM
eurjchem-1920	114	13	]	]	PUNCT
eurjchem-1920	114	14	.	.	PUNCT
eurjchem-1920	115	1	the	the	DET
eurjchem-1920	115	2	rms	rm	NOUN
eurjchem-1920	115	3	error	error	NOUN
eurjchem-1920	115	4	of	of	ADP
eurjchem-1920	115	5	the	the	DET
eurjchem-1920	115	6	observed	observe	VERB
eurjchem-1920	115	7	and	and	CCONJ
eurjchem-1920	115	8	calculated	calculate	VERB
eurjchem-1920	115	9	ir	ir	PROPN
eurjchem-1920	115	10	bands	band	NOUN
eurjchem-1920	115	11	is	be	AUX
eurjchem-1920	115	12	given	give	VERB
eurjchem-1920	115	13	in	in	ADP
eurjchem-1920	115	14	table	table	NOUN
eurjchem-1920	115	15	3	3	NUM
eurjchem-1920	115	16	.	.	PUNCT
eurjchem-1920	116	1	these	these	DET
eurjchem-1920	116	2	results	result	NOUN
eurjchem-1920	116	3	indicate	indicate	VERB
eurjchem-1920	116	4	that	that	SCONJ
eurjchem-1920	116	5	the	the	DET
eurjchem-1920	116	6	fundamental	fundamental	ADJ
eurjchem-1920	116	7	frequencies	frequency	NOUN
eurjchem-1920	116	8	calculated	calculate	VERB
eurjchem-1920	116	9	by	by	ADP
eurjchem-1920	116	10	the	the	DET
eurjchem-1920	116	11	selected	select	VERB
eurjchem-1920	116	12	methods	method	NOUN
eurjchem-1920	116	13	(	(	PUNCT
eurjchem-1920	116	14	except	except	SCONJ
eurjchem-1920	116	15	hf	hf	PROPN
eurjchem-1920	116	16	)	)	PUNCT
eurjchem-1920	116	17	and	and	CCONJ
eurjchem-1920	116	18	basis	basis	NOUN
eurjchem-1920	116	19	sets	set	NOUN
eurjchem-1920	116	20	for	for	ADP
eurjchem-1920	116	21	h2lnnn	h2lnnn	NOUN
eurjchem-1920	116	22	compound	compound	NOUN
eurjchem-1920	116	23	show	show	VERB
eurjchem-1920	116	24	good	good	ADJ
eurjchem-1920	116	25	agreement	agreement	NOUN
eurjchem-1920	116	26	with	with	ADP
eurjchem-1920	116	27	experimental	experimental	ADJ
eurjchem-1920	116	28	values	value	NOUN
eurjchem-1920	116	29	.	.	PUNCT
eurjchem-1920	117	1	especially	especially	ADV
eurjchem-1920	117	2	,	,	PUNCT
eurjchem-1920	117	3	the	the	DET
eurjchem-1920	117	4	b3lyp	b3lyp	NOUN
eurjchem-1920	117	5	method	method	NOUN
eurjchem-1920	117	6	with	with	ADP
eurjchem-1920	117	7	6	6	NUM
eurjchem-1920	117	8	-	-	SYM
eurjchem-1920	117	9	31g(d	31g(d	NUM
eurjchem-1920	117	10	,	,	PUNCT
eurjchem-1920	117	11	p	p	NOUN
eurjchem-1920	117	12	)	)	PUNCT
eurjchem-1920	117	13	basis	basis	NOUN
eurjchem-1920	117	14	set	set	NOUN
eurjchem-1920	117	15	has	have	VERB
eurjchem-1920	117	16	the	the	DET
eurjchem-1920	117	17	best	good	ADJ
eurjchem-1920	117	18	agreement	agreement	NOUN
eurjchem-1920	117	19	.	.	PUNCT
eurjchem-1920	118	1	we	we	PRON
eurjchem-1920	118	2	observed	observe	VERB
eurjchem-1920	118	3	a	a	DET
eurjchem-1920	118	4	small	small	ADJ
eurjchem-1920	118	5	difference	difference	NOUN
eurjchem-1920	118	6	between	between	ADP
eurjchem-1920	118	7	experimental	experimental	ADJ
eurjchem-1920	118	8	and	and	CCONJ
eurjchem-1920	118	9	theoretical	theoretical	ADJ
eurjchem-1920	118	10	vibrational	vibrational	ADJ
eurjchem-1920	118	11	modes	mode	NOUN
eurjchem-1920	118	12	.	.	PUNCT
eurjchem-1920	119	1	this	this	DET
eurjchem-1920	119	2	discrepancy	discrepancy	NOUN
eurjchem-1920	119	3	is	be	AUX
eurjchem-1920	119	4	due	due	ADJ
eurjchem-1920	119	5	to	to	ADP
eurjchem-1920	119	6	the	the	DET
eurjchem-1920	119	7	formation	formation	NOUN
eurjchem-1920	119	8	of	of	ADP
eurjchem-1920	119	9	the	the	DET
eurjchem-1920	119	10	intermolecular	intermolecular	ADJ
eurjchem-1920	119	11	and	and	CCONJ
eurjchem-1920	119	12	intramolecular	intramolecular	ADJ
eurjchem-1920	119	13	hydrogen	hydrogen	NOUN
eurjchem-1920	119	14	bonding	bonding	NOUN
eurjchem-1920	119	15	.	.	PUNCT
eurjchem-1920	120	1	also	also	ADV
eurjchem-1920	120	2	,	,	PUNCT
eurjchem-1920	120	3	we	we	PRON
eurjchem-1920	120	4	note	note	VERB
eurjchem-1920	120	5	that	that	SCONJ
eurjchem-1920	120	6	the	the	DET
eurjchem-1920	120	7	experimental	experimental	ADJ
eurjchem-1920	120	8	results	result	NOUN
eurjchem-1920	120	9	belong	belong	VERB
eurjchem-1920	120	10	to	to	ADP
eurjchem-1920	120	11	the	the	DET
eurjchem-1920	120	12	solid	solid	ADJ
eurjchem-1920	120	13	phase	phase	NOUN
eurjchem-1920	120	14	and	and	CCONJ
eurjchem-1920	120	15	the	the	DET
eurjchem-1920	120	16	theoretical	theoretical	ADJ
eurjchem-1920	120	17	results	result	NOUN
eurjchem-1920	120	18	belong	belong	VERB
eurjchem-1920	120	19	to	to	ADP
eurjchem-1920	120	20	the	the	DET
eurjchem-1920	120	21	gaseous	gaseous	ADJ
eurjchem-1920	120	22	phase	phase	NOUN
eurjchem-1920	120	23	.	.	PUNCT
eurjchem-1920	121	1	finally	finally	ADV
eurjchem-1920	121	2	,	,	PUNCT
eurjchem-1920	121	3	we	we	PRON
eurjchem-1920	121	4	calculated	calculate	VERB
eurjchem-1920	121	5	the	the	DET
eurjchem-1920	121	6	optimal	optimal	ADJ
eurjchem-1920	121	7	scaling	scaling	NOUN
eurjchem-1920	121	8	factors	factor	NOUN
eurjchem-1920	121	9	,	,	PUNCT
eurjchem-1920	121	10	which	which	PRON
eurjchem-1920	121	11	are	be	AUX
eurjchem-1920	121	12	crucial	crucial	ADJ
eurjchem-1920	121	13	for	for	ADP
eurjchem-1920	121	14	ir	ir	PROPN
eurjchem-1920	121	15	spectral	spectral	ADJ
eurjchem-1920	121	16	predictions	prediction	NOUN
eurjchem-1920	121	17	,	,	PUNCT
eurjchem-1920	121	18	using	use	VERB
eurjchem-1920	121	19	the	the	DET
eurjchem-1920	121	20	pavf	pavf	NOUN
eurjchem-1920	121	21	1.0	1.0	NUM
eurjchem-1920	121	22	program	program	NOUN
eurjchem-1920	121	23	[	[	X
eurjchem-1920	121	24	37	37	NUM
eurjchem-1920	121	25	]	]	PUNCT
eurjchem-1920	121	26	.	.	PUNCT
eurjchem-1920	122	1	without	without	ADP
eurjchem-1920	122	2	accounting	account	VERB
eurjchem-1920	122	3	for	for	ADP
eurjchem-1920	122	4	different	different	ADJ
eurjchem-1920	122	5	vibrations	vibration	NOUN
eurjchem-1920	122	6	,	,	PUNCT
eurjchem-1920	122	7	only	only	ADV
eurjchem-1920	122	8	singleuniform	singleuniform	VERB
eurjchem-1920	122	9	scaling	scale	VERB
eurjchem-1920	122	10	factors	factor	NOUN
eurjchem-1920	122	11	were	be	AUX
eurjchem-1920	122	12	calculated	calculate	VERB
eurjchem-1920	122	13	.	.	PUNCT
eurjchem-1920	123	1	the	the	DET
eurjchem-1920	123	2	values	value	NOUN
eurjchem-1920	123	3	obtained	obtain	VERB
eurjchem-1920	123	4	are	be	AUX
eurjchem-1920	123	5	0.9588	0.9588	NUM
eurjchem-1920	123	6	,	,	PUNCT
eurjchem-1920	123	7	0.9639	0.9639	NUM
eurjchem-1920	123	8	,	,	PUNCT
eurjchem-1920	123	9	0.9545	0.9545	NUM
eurjchem-1920	123	10	,	,	PUNCT
eurjchem-1920	123	11	0.9594	0.9594	NUM
eurjchem-1920	123	12	,	,	PUNCT
eurjchem-1920	123	13	0.9924	0.9924	NUM
eurjchem-1920	123	14	,	,	PUNCT
eurjchem-1920	123	15	0.9973	0.9973	NUM
eurjchem-1920	123	16	,	,	PUNCT
eurjchem-1920	123	17	0.8928	0.8928	NUM
eurjchem-1920	123	18	,	,	PUNCT
eurjchem-1920	123	19	0.8981	0.8981	NUM
eurjchem-1920	123	20	,	,	PUNCT
eurjchem-1920	123	21	0.9473	0.9473	NUM
eurjchem-1920	123	22	and	and	CCONJ
eurjchem-1920	123	23	0.9522	0.9522	NUM
eurjchem-1920	123	24	for	for	ADP
eurjchem-1920	123	25	the	the	DET
eurjchem-1920	123	26	b3lyp/6	b3lyp/6	NOUN
eurjchem-1920	123	27	-	-	NOUN
eurjchem-1920	123	28	31g(d	31g(d	PROPN
eurjchem-1920	123	29	,	,	PUNCT
eurjchem-1920	123	30	p	p	NOUN
eurjchem-1920	123	31	)	)	PUNCT
eurjchem-1920	123	32	,	,	PUNCT
eurjchem-1920	123	33	b3lyp/	b3lyp/	NOUN
eurjchem-1920	123	34	6	6	NUM
eurjchem-1920	123	35	-	-	SYM
eurjchem-1920	123	36	311g(d	311g(d	NUM
eurjchem-1920	123	37	,	,	PUNCT
eurjchem-1920	123	38	p	p	NOUN
eurjchem-1920	123	39	)	)	PUNCT
eurjchem-1920	123	40	,	,	PUNCT
eurjchem-1920	123	41	b3pw91/6	b3pw91/6	PROPN
eurjchem-1920	123	42	-	-	SYM
eurjchem-1920	123	43	31g(d	31g(d	NUM
eurjchem-1920	123	44	,	,	PUNCT
eurjchem-1920	123	45	p	p	NOUN
eurjchem-1920	123	46	)	)	PUNCT
eurjchem-1920	123	47	,	,	PUNCT
eurjchem-1920	123	48	b3pw91/6	b3pw91/6	PROPN
eurjchem-1920	123	49	-	-	SYM
eurjchem-1920	123	50	311g(d	311g(d	NUM
eurjchem-1920	123	51	,	,	PUNCT
eurjchem-1920	123	52	p	p	NOUN
eurjchem-1920	123	53	)	)	PUNCT
eurjchem-1920	123	54	,	,	PUNCT
eurjchem-1920	123	55	blyp/6	blyp/6	PROPN
eurjchem-1920	123	56	-	-	PUNCT
eurjchem-1920	123	57	31g(d	31g(d	PROPN
eurjchem-1920	123	58	,	,	PUNCT
eurjchem-1920	123	59	p	p	NOUN
eurjchem-1920	123	60	)	)	PUNCT
eurjchem-1920	123	61	,	,	PUNCT
eurjchem-1920	123	62	b	b	X
eurjchem-1920	123	63	-	-	PUNCT
eurjchem-1920	123	64	lyp/6	lyp/6	NOUN
eurjchem-1920	123	65	-	-	PUNCT
eurjchem-1920	123	66	311g(d	311g(d	PROPN
eurjchem-1920	123	67	,	,	PUNCT
eurjchem-1920	123	68	p	p	NOUN
eurjchem-1920	123	69	)	)	PUNCT
eurjchem-1920	123	70	,	,	PUNCT
eurjchem-1920	123	71	hf/6	hf/6	PROPN
eurjchem-1920	123	72	-	-	PUNCT
eurjchem-1920	123	73	31g(d	31g(d	NUM
eurjchem-1920	123	74	,	,	PUNCT
eurjchem-1920	123	75	p	p	NOUN
eurjchem-1920	123	76	)	)	PUNCT
eurjchem-1920	123	77	,	,	PUNCT
eurjchem-1920	123	78	hf/6311g(d	hf/6311g(d	PROPN
eurjchem-1920	123	79	,	,	PUNCT
eurjchem-1920	123	80	p	p	NOUN
eurjchem-1920	123	81	)	)	PUNCT
eurjchem-1920	123	82	,	,	PUNCT
eurjchem-1920	123	83	mpw1pw91/6	mpw1pw91/6	PROPN
eurjchem-1920	123	84	-	-	PUNCT
eurjchem-1920	123	85	31g(d	31g(d	PROPN
eurjchem-1920	123	86	,	,	PUNCT
eurjchem-1920	123	87	p	p	NOUN
eurjchem-1920	123	88	)	)	PUNCT
eurjchem-1920	123	89	and	and	CCONJ
eurjchem-1920	123	90	mpw1pw91/	mpw1pw91/	PROPN
eurjchem-1920	123	91	6	6	NUM
eurjchem-1920	123	92	-	-	SYM
eurjchem-1920	123	93	311	311	NUM
eurjchem-1920	123	94	g	g	NOUN
eurjchem-1920	123	95	(	(	PUNCT
eurjchem-1920	123	96	d	d	PROPN
eurjchem-1920	123	97	,	,	PUNCT
eurjchem-1920	123	98	p	p	NOUN
eurjchem-1920	123	99	)	)	PUNCT
eurjchem-1920	123	100	methods	method	NOUN
eurjchem-1920	123	101	,	,	PUNCT
eurjchem-1920	123	102	respectively	respectively	ADV
eurjchem-1920	123	103	.	.	PUNCT
eurjchem-1920	124	1	they	they	PRON
eurjchem-1920	124	2	are	be	AUX
eurjchem-1920	124	3	very	very	ADV
eurjchem-1920	124	4	close	close	ADJ
eurjchem-1920	124	5	to	to	ADP
eurjchem-1920	124	6	those	those	PRON
eurjchem-1920	124	7	recommended	recommend	VERB
eurjchem-1920	124	8	by	by	ADP
eurjchem-1920	124	9	scott	scott	PROPN
eurjchem-1920	124	10	and	and	CCONJ
eurjchem-1920	124	11	radom	radom	NOUN
eurjchem-1920	125	1	[	[	X
eurjchem-1920	125	2	27	27	NUM
eurjchem-1920	125	3	]	]	PUNCT
eurjchem-1920	125	4	for	for	ADP
eurjchem-1920	125	5	the	the	DET
eurjchem-1920	125	6	same	same	ADJ
eurjchem-1920	125	7	level	level	NOUN
eurjchem-1920	125	8	of	of	ADP
eurjchem-1920	125	9	theory	theory	NOUN
eurjchem-1920	125	10	.	.	PUNCT
eurjchem-1920	126	1	(	(	PUNCT
eurjchem-1920	126	2	)	)	PUNCT
eurjchem-1920	126	3	2exp1rms	2exp1rms	NUM
eurjchem-1920	126	4	1	1	NUM
eurjchem-1920	126	5	n	n	PRON
eurjchem-1920	126	6	calc	calc	NOUN
eurjchem-1920	127	1	i	i	PRON
eurjchem-1920	127	2	i	i	PRON
eurjchem-1920	128	1	i	i	PRON
eurjchem-1920	128	2	v	v	VERB
eurjchem-1920	128	3	v	v	NUM
eurjchem-1920	128	4	n	n	NOUN
eurjchem-1920	128	5	=	=	X
eurjchem-1920	128	6	m	m	VERB
eurjchem-1920	128	7	m	m	VERB
eurjchem-1920	128	8	∑	∑	PUNCT
eurjchem-1920	128	9	(	(	PUNCT
eurjchem-1920	128	10	1	1	X
eurjchem-1920	128	11	)	)	PUNCT
eurjchem-1920	128	12	the	the	DET
eurjchem-1920	128	13	νnh	νnh	ADJ
eurjchem-1920	128	14	stretching	stretch	VERB
eurjchem-1920	128	15	vibration	vibration	NOUN
eurjchem-1920	128	16	bands	band	NOUN
eurjchem-1920	128	17	are	be	AUX
eurjchem-1920	128	18	generally	generally	ADV
eurjchem-1920	128	19	observed	observe	VERB
eurjchem-1920	128	20	in	in	ADP
eurjchem-1920	128	21	the	the	DET
eurjchem-1920	128	22	3500	3500	NUM
eurjchem-1920	128	23	-	-	SYM
eurjchem-1920	128	24	3000	3000	NUM
eurjchem-1920	128	25	cm-1	cm-1	NOUN
eurjchem-1920	128	26	region	region	NOUN
eurjchem-1920	128	27	of	of	ADP
eurjchem-1920	128	28	the	the	DET
eurjchem-1920	128	29	ft	ft	PROPN
eurjchem-1920	128	30	-	-	PUNCT
eurjchem-1920	128	31	ir	ir	NOUN
eurjchem-1920	128	32	spectrum	spectrum	NOUN
eurjchem-1920	128	33	for	for	ADP
eurjchem-1920	128	34	heterocyclic	heterocyclic	ADJ
eurjchem-1920	128	35	compounds	compound	NOUN
eurjchem-1920	129	1	[	[	X
eurjchem-1920	129	2	23,44,45	23,44,45	NUM
eurjchem-1920	129	3	]	]	X
eurjchem-1920	129	4	.	.	PUNCT
eurjchem-1920	130	1	in	in	ADP
eurjchem-1920	130	2	this	this	DET
eurjchem-1920	130	3	study	study	NOUN
eurjchem-1920	130	4	,	,	PUNCT
eurjchem-1920	130	5	the	the	DET
eurjchem-1920	130	6	stretching	stretch	VERB
eurjchem-1920	130	7	vibration	vibration	NOUN
eurjchem-1920	130	8	mode	mode	NOUN
eurjchem-1920	130	9	of	of	ADP
eurjchem-1920	130	10	νnh	νnh	ADJ
eurjchem-1920	130	11	groups	group	NOUN
eurjchem-1920	130	12	of	of	ADP
eurjchem-1920	130	13	h2lnnn	h2lnnn	ADJ
eurjchem-1920	130	14	molecule	molecule	NOUN
eurjchem-1920	130	15	in	in	ADP
eurjchem-1920	130	16	ft	ft	PROPN
eurjchem-1920	130	17	-	-	PUNCT
eurjchem-1920	130	18	ir	ir	PROPN
eurjchem-1920	130	19	spectrum	spectrum	NOUN
eurjchem-1920	130	20	were	be	AUX
eurjchem-1920	130	21	observed	observe	VERB
eurjchem-1920	130	22	at	at	ADP
eurjchem-1920	130	23	3335	3335	NUM
eurjchem-1920	130	24	and	and	CCONJ
eurjchem-1920	130	25	3291	3291	NUM
eurjchem-1920	130	26	cm-1	cm-1	NOUN
eurjchem-1920	130	27	.	.	PUNCT
eurjchem-1920	131	1	νnh	νnh	ADJ
eurjchem-1920	131	2	stretching	stretch	VERB
eurjchem-1920	131	3	vibration	vibration	NOUN
eurjchem-1920	131	4	modes	mode	NOUN
eurjchem-1920	131	5	were	be	AUX
eurjchem-1920	131	6	calculated	calculate	VERB
eurjchem-1920	131	7	by	by	ADP
eurjchem-1920	131	8	b3lyp/631g(d	b3lyp/631g(d	PROPN
eurjchem-1920	131	9	,	,	PUNCT
eurjchem-1920	131	10	p	p	NOUN
eurjchem-1920	131	11	)	)	PUNCT
eurjchem-1920	131	12	method	method	NOUN
eurjchem-1920	131	13	as	as	ADP
eurjchem-1920	131	14	3469	3469	NUM
eurjchem-1920	131	15	and	and	CCONJ
eurjchem-1920	131	16	3296	3296	NUM
eurjchem-1920	131	17	cm-1	cm-1	X
eurjchem-1920	131	18	(	(	PUNCT
eurjchem-1920	131	19	table	table	NOUN
eurjchem-1920	131	20	2	2	NUM
eurjchem-1920	131	21	)	)	PUNCT
eurjchem-1920	131	22	.	.	PUNCT
eurjchem-1920	132	1	the	the	DET
eurjchem-1920	132	2	differences	difference	NOUN
eurjchem-1920	132	3	between	between	ADP
eurjchem-1920	132	4	the	the	DET
eurjchem-1920	132	5	experimentally	experimentally	ADV
eurjchem-1920	132	6	observed	observe	VERB
eurjchem-1920	132	7	and	and	CCONJ
eurjchem-1920	132	8	theoretically	theoretically	ADV
eurjchem-1920	132	9	calculated	calculate	VERB
eurjchem-1920	132	10	νnh	νnh	ADJ
eurjchem-1920	132	11	stretching	stretch	VERB
eurjchem-1920	132	12	vibration	vibration	NOUN
eurjchem-1920	132	13	bands	band	NOUN
eurjchem-1920	132	14	were	be	AUX
eurjchem-1920	132	15	found	find	VERB
eurjchem-1920	132	16	to	to	PART
eurjchem-1920	132	17	be	be	AUX
eurjchem-1920	132	18	134	134	NUM
eurjchem-1920	132	19	and	and	CCONJ
eurjchem-1920	132	20	5	5	NUM
eurjchem-1920	132	21	cm-1	cm-1	NOUN
eurjchem-1920	132	22	,	,	PUNCT
eurjchem-1920	132	23	respectively	respectively	ADV
eurjchem-1920	132	24	,	,	PUNCT
eurjchem-1920	132	25	and	and	CCONJ
eurjchem-1920	132	26	these	these	DET
eurjchem-1920	132	27	differences	difference	NOUN
eurjchem-1920	132	28	were	be	AUX
eurjchem-1920	132	29	related	relate	VERB
eurjchem-1920	132	30	to	to	ADP
eurjchem-1920	132	31	the	the	DET
eurjchem-1920	132	32	hydrogen	hydrogen	NOUN
eurjchem-1920	132	33	bond	bond	NOUN
eurjchem-1920	132	34	n	n	CCONJ
eurjchem-1920	132	35	-	-	PUNCT
eurjchem-1920	132	36	h⋯o	h⋯o	NOUN
eurjchem-1920	133	1	=	=	NOUN
eurjchem-1920	133	2	c	c	NOUN
eurjchem-1920	133	3	occurring	occur	VERB
eurjchem-1920	133	4	between	between	ADP
eurjchem-1920	133	5	the	the	DET
eurjchem-1920	133	6	molecules	molecule	NOUN
eurjchem-1920	133	7	[	[	X
eurjchem-1920	133	8	23,44,45	23,44,45	NUM
eurjchem-1920	133	9	]	]	X
eurjchem-1920	133	10	.	.	PUNCT
eurjchem-1920	134	1	the	the	DET
eurjchem-1920	134	2	hydrogen	hydrogen	NOUN
eurjchem-1920	134	3	bond	bond	NOUN
eurjchem-1920	134	4	(	(	PUNCT
eurjchem-1920	134	5	nh⋯o	nh⋯o	NOUN
eurjchem-1920	134	6	=	=	SYM
eurjchem-1920	134	7	c	c	NOUN
eurjchem-1920	134	8	)	)	PUNCT
eurjchem-1920	134	9	between	between	ADP
eurjchem-1920	134	10	the	the	DET
eurjchem-1920	134	11	molecules	molecule	NOUN
eurjchem-1920	134	12	of	of	ADP
eurjchem-1920	134	13	h2lnnn	h2lnnn	NOUN
eurjchem-1920	134	14	was	be	AUX
eurjchem-1920	134	15	also	also	ADV
eurjchem-1920	134	16	confirmed	confirm	VERB
eurjchem-1920	134	17	by	by	ADP
eurjchem-1920	134	18	the	the	DET
eurjchem-1920	134	19	deviation	deviation	NOUN
eurjchem-1920	134	20	in	in	ADP
eurjchem-1920	134	21	the	the	DET
eurjchem-1920	134	22	νc	νc	NOUN
eurjchem-1920	134	23	=	=	ADJ
eurjchem-1920	134	24	o	o	NOUN
eurjchem-1920	134	25	stretching	stretch	VERB
eurjchem-1920	134	26	vibration	vibration	NOUN
eurjchem-1920	134	27	mode	mode	NOUN
eurjchem-1920	134	28	.	.	PUNCT
eurjchem-1920	135	1	the	the	DET
eurjchem-1920	135	2	νc	νc	NOUN
eurjchem-1920	135	3	=	=	ADJ
eurjchem-1920	135	4	o	o	NOUN
eurjchem-1920	135	5	stretching	stretching	NOUN
eurjchem-1920	135	6	vibration	vibration	NOUN
eurjchem-1920	135	7	modes	mode	NOUN
eurjchem-1920	135	8	were	be	AUX
eurjchem-1920	135	9	observed	observe	VERB
eurjchem-1920	135	10	at	at	ADP
eurjchem-1920	135	11	1728	1728	NUM
eurjchem-1920	135	12	,	,	PUNCT
eurjchem-1920	135	13	1725	1725	NUM
eurjchem-1920	135	14	and	and	CCONJ
eurjchem-1920	135	15	1706	1706	NUM
eurjchem-1920	135	16	cm-1	cm-1	NOUN
eurjchem-1920	135	17	,	,	PUNCT
eurjchem-1920	135	18	whereas	whereas	SCONJ
eurjchem-1920	135	19	theoretically	theoretically	ADV
eurjchem-1920	135	20	related	relate	VERB
eurjchem-1920	135	21	νc	νc	NOUN
eurjchem-1920	135	22	=	=	NOUN
eurjchem-1920	135	23	o	o	NOUN
eurjchem-1920	135	24	stretching	stretching	NOUN
eurjchem-1920	135	25	vibration	vibration	NOUN
eurjchem-1920	135	26	modes	mode	NOUN
eurjchem-1920	135	27	were	be	AUX
eurjchem-1920	135	28	calculated	calculate	VERB
eurjchem-1920	135	29	at	at	ADP
eurjchem-1920	135	30	1737	1737	NUM
eurjchem-1920	135	31	,	,	PUNCT
eurjchem-1920	135	32	1727	1727	NUM
eurjchem-1920	135	33	and	and	CCONJ
eurjchem-1920	135	34	1710	1710	NUM
eurjchem-1920	135	35	cm-1	cm-1	NOUN
eurjchem-1920	135	36	,	,	PUNCT
eurjchem-1920	135	37	respectively	respectively	ADV
eurjchem-1920	135	38	.	.	PUNCT
eurjchem-1920	136	1	the	the	DET
eurjchem-1920	136	2	differences	difference	NOUN
eurjchem-1920	136	3	between	between	ADP
eurjchem-1920	136	4	the	the	DET
eurjchem-1920	136	5	calculated	calculate	VERB
eurjchem-1920	136	6	and	and	CCONJ
eurjchem-1920	136	7	observed	observed	ADJ
eurjchem-1920	136	8	stretching	stretching	NOUN
eurjchem-1920	136	9	modes	mode	NOUN
eurjchem-1920	136	10	are	be	AUX
eurjchem-1920	136	11	9	9	NUM
eurjchem-1920	136	12	,	,	PUNCT
eurjchem-1920	136	13	2	2	NUM
eurjchem-1920	136	14	and	and	CCONJ
eurjchem-1920	136	15	4	4	NUM
eurjchem-1920	136	16	cm-1	cm-1	NOUN
eurjchem-1920	136	17	,	,	PUNCT
eurjchem-1920	136	18	respectively	respectively	ADV
eurjchem-1920	136	19	(	(	PUNCT
eurjchem-1920	136	20	table	table	NOUN
eurjchem-1920	136	21	2	2	NUM
eurjchem-1920	136	22	)	)	PUNCT
eurjchem-1920	136	23	.	.	PUNCT
eurjchem-1920	137	1	these	these	DET
eurjchem-1920	137	2	results	result	NOUN
eurjchem-1920	137	3	are	be	AUX
eurjchem-1920	137	4	confirmed	confirm	VERB
eurjchem-1920	137	5	by	by	ADP
eurjchem-1920	137	6	the	the	DET
eurjchem-1920	137	7	presence	presence	NOUN
eurjchem-1920	137	8	of	of	ADP
eurjchem-1920	137	9	intermolecular	intermolecular	ADJ
eurjchem-1920	137	10	hydrogen	hydrogen	NOUN
eurjchem-1920	137	11	bonds	bond	NOUN
eurjchem-1920	137	12	in	in	ADP
eurjchem-1920	137	13	the	the	DET
eurjchem-1920	137	14	single	single	ADJ
eurjchem-1920	137	15	crystal	crystal	NOUN
eurjchem-1920	137	16	structure	structure	NOUN
eurjchem-1920	137	17	of	of	ADP
eurjchem-1920	137	18	the	the	DET
eurjchem-1920	137	19	compound	compound	NOUN
eurjchem-1920	137	20	[	[	X
eurjchem-1920	137	21	21	21	NUM
eurjchem-1920	137	22	]	]	PUNCT
eurjchem-1920	137	23	.	.	PUNCT
eurjchem-1920	138	1	the	the	DET
eurjchem-1920	138	2	characteristic	characteristic	ADJ
eurjchem-1920	138	3	νch	νch	NOUN
eurjchem-1920	138	4	stretching	stretch	VERB
eurjchem-1920	138	5	vibrations	vibration	NOUN
eurjchem-1920	138	6	of	of	ADP
eurjchem-1920	138	7	aromatic	aromatic	ADJ
eurjchem-1920	138	8	structure	structure	NOUN
eurjchem-1920	138	9	are	be	AUX
eurjchem-1920	138	10	expected	expect	VERB
eurjchem-1920	138	11	to	to	PART
eurjchem-1920	138	12	appear	appear	VERB
eurjchem-1920	138	13	in	in	ADP
eurjchem-1920	138	14	3000	3000	NUM
eurjchem-1920	138	15	-	-	SYM
eurjchem-1920	138	16	3100	3100	NUM
eurjchem-1920	138	17	cm-1	cm-1	NOUN
eurjchem-1920	138	18	frequency	frequency	NOUN
eurjchem-1920	138	19	ranges	range	NOUN
eurjchem-1920	138	20	.	.	PUNCT
eurjchem-1920	139	1	the	the	DET
eurjchem-1920	139	2	νch	νch	NOUN
eurjchem-1920	139	3	stretching	stretch	VERB
eurjchem-1920	139	4	vibrations	vibration	NOUN
eurjchem-1920	139	5	of	of	ADP
eurjchem-1920	139	6	the	the	DET
eurjchem-1920	139	7	title	title	NOUN
eurjchem-1920	139	8	compound	compound	NOUN
eurjchem-1920	139	9	were	be	AUX
eurjchem-1920	139	10	assigned	assign	VERB
eurjchem-1920	139	11	to	to	ADP
eurjchem-1920	139	12	seven	seven	NUM
eurjchem-1920	139	13	bands	band	NOUN
eurjchem-1920	139	14	observed	observe	VERB
eurjchem-1920	139	15	at	at	ADP
eurjchem-1920	139	16	3155	3155	NUM
eurjchem-1920	139	17	,	,	PUNCT
eurjchem-1920	139	18	3112	3112	NUM
eurjchem-1920	139	19	,	,	PUNCT
eurjchem-1920	139	20	3101	3101	NUM
eurjchem-1920	139	21	,	,	PUNCT
eurjchem-1920	139	22	3095	3095	NUM
eurjchem-1920	139	23	,	,	PUNCT
eurjchem-1920	139	24	3082	3082	NUM
eurjchem-1920	139	25	,	,	PUNCT
eurjchem-1920	139	26	3078	3078	NUM
eurjchem-1920	139	27	,	,	PUNCT
eurjchem-1920	139	28	and	and	CCONJ
eurjchem-1920	139	29	3064	3064	NUM
eurjchem-1920	139	30	cm-1	cm-1	VERB
eurjchem-1920	139	31	in	in	ADP
eurjchem-1920	139	32	the	the	DET
eurjchem-1920	139	33	infrared	infrared	ADJ
eurjchem-1920	139	34	spectrum	spectrum	NOUN
eurjchem-1920	139	35	.	.	PUNCT
eurjchem-1920	140	1	the	the	DET
eurjchem-1920	140	2	b3lyp/6	b3lyp/6	PROPN
eurjchem-1920	140	3	-	-	NOUN
eurjchem-1920	140	4	31g(d	31g(d	PROPN
eurjchem-1920	140	5	,	,	PUNCT
eurjchem-1920	140	6	p	p	NOUN
eurjchem-1920	140	7	)	)	PUNCT
eurjchem-1920	140	8	calculated	calculate	VERB
eurjchem-1920	140	9	theoretical	theoretical	ADJ
eurjchem-1920	140	10	wave	wave	NOUN
eurjchem-1920	140	11	-	-	PUNCT
eurjchem-1920	140	12	numbers	number	NOUN
eurjchem-1920	140	13	of	of	ADP
eurjchem-1920	140	14	these	these	DET
eurjchem-1920	140	15	bands	band	NOUN
eurjchem-1920	140	16	reproduced	reproduce	VERB
eurjchem-1920	140	17	the	the	DET
eurjchem-1920	140	18	experimental	experimental	ADJ
eurjchem-1920	140	19	ones	one	NOUN
eurjchem-1920	140	20	very	very	ADV
eurjchem-1920	140	21	well	well	ADV
eurjchem-1920	140	22	.	.	PUNCT
eurjchem-1920	141	1	2019	2019	NUM
eurjchem-1920	141	2	–	–	PUNCT
eurjchem-1920	141	3	european	european	ADJ
eurjchem-1920	141	4	journal	journal	NOUN
eurjchem-1920	141	5	of	of	ADP
eurjchem-1920	141	6	chemistry	chemistry	NOUN
eurjchem-1920	141	7	–	–	PUNCT
eurjchem-1920	141	8	cc	cc	NOUN
eurjchem-1920	141	9	by	by	ADP
eurjchem-1920	141	10	nc	nc	PROPN
eurjchem-1920	141	11	–	–	PUNCT
eurjchem-1920	141	12	doi	doi	NOUN
eurjchem-1920	141	13	:	:	PUNCT
eurjchem-1920	141	14	10.5155	10.5155	NUM
eurjchem-1920	141	15	/	/	SYM
eurjchem-1920	141	16	eurjchem.10.4.323	eurjchem.10.4.323	NOUN
eurjchem-1920	141	17	-	-	SYM
eurjchem-1920	141	18	335.1920	335.1920	NUM
eurjchem-1920	141	19	328	328	NUM
eurjchem-1920	141	20	aydogdu	aydogdu	ADV
eurjchem-1920	141	21	et	et	PROPN
eurjchem-1920	141	22	al	al	PROPN
eurjchem-1920	141	23	.	.	PUNCT
eurjchem-1920	141	24	/	/	SYM
eurjchem-1920	141	25	european	european	PROPN
eurjchem-1920	141	26	journal	journal	PROPN
eurjchem-1920	141	27	of	of	ADP
eurjchem-1920	141	28	chemistry	chemistry	NOUN
eurjchem-1920	141	29	10	10	NUM
eurjchem-1920	141	30	(	(	PUNCT
eurjchem-1920	141	31	4	4	NUM
eurjchem-1920	141	32	)	)	PUNCT
eurjchem-1920	141	33	(	(	PUNCT
eurjchem-1920	141	34	2019	2019	NUM
eurjchem-1920	141	35	)	)	PUNCT
eurjchem-1920	141	36	323	323	NUM
eurjchem-1920	141	37	-	-	SYM
eurjchem-1920	141	38	335	335	NUM
eurjchem-1920	141	39	table	table	NOUN
eurjchem-1920	141	40	2	2	NUM
eurjchem-1920	141	41	.	.	PUNCT
eurjchem-1920	141	42	vibrational	vibrational	NOUN
eurjchem-1920	141	43	wavenumbers	wavenumber	NOUN
eurjchem-1920	141	44	obtained	obtain	VERB
eurjchem-1920	141	45	for	for	ADP
eurjchem-1920	141	46	h2lnnn	h2lnnn	NOUN
eurjchem-1920	141	47	at	at	ADP
eurjchem-1920	141	48	6	6	NUM
eurjchem-1920	141	49	-	-	SYM
eurjchem-1920	141	50	31g(d	31g(d	NUM
eurjchem-1920	141	51	,	,	PUNCT
eurjchem-1920	141	52	p	p	NOUN
eurjchem-1920	141	53	)	)	PUNCT
eurjchem-1920	141	54	level	level	NOUN
eurjchem-1920	141	55	.	.	PUNCT
eurjchem-1920	142	1	no	no	DET
eurjchem-1920	142	2	exp	exp	NOUN
eurjchem-1920	142	3	.	.	PUNCT
eurjchem-1920	143	1	ir	ir	PROPN
eurjchem-1920	143	2	(	(	PUNCT
eurjchem-1920	143	3	cm-1	cm-1	PROPN
eurjchem-1920	143	4	)	)	PUNCT
eurjchem-1920	143	5	b3lyp	b3lyp	NUM
eurjchem-1920	143	6	assignments	assignment	NOUN
eurjchem-1920	143	7	,	,	PUNCT
eurjchem-1920	143	8	ped	ped	NOUN
eurjchem-1920	143	9	(	(	PUNCT
eurjchem-1920	143	10	%	%	INTJ
eurjchem-1920	143	11	)	)	PUNCT
eurjchem-1920	143	12	unscaled	unscaled	ADJ
eurjchem-1920	143	13	(	(	PUNCT
eurjchem-1920	143	14	cm-1	cm-1	NOUN
eurjchem-1920	143	15	)	)	PUNCT
eurjchem-1920	143	16	scaled	scale	VERB
eurjchem-1920	143	17	(	(	PUNCT
eurjchem-1920	143	18	cm-1	cm-1	NOUN
eurjchem-1920	143	19	)	)	PUNCT
eurjchem-1920	143	20	scaled	scale	VERB
eurjchem-1920	143	21	(	(	PUNCT
eurjchem-1920	143	22	cm-1	cm-1	PROPN
eurjchem-1920	143	23	)	)	PUNCT
eurjchem-1920	143	24	ir	ir	PROPN
eurjchem-1920	143	25	int	int	NOUN
eurjchem-1920	143	26	.	.	PUNCT
eurjchem-1920	144	1	(	(	PUNCT
eurjchem-1920	144	2	km	km	NOUN
eurjchem-1920	144	3	/	/	SYM
eurjchem-1920	144	4	mol	mol	NOUN
eurjchem-1920	144	5	)	)	PUNCT
eurjchem-1920	144	6	1	1	NUM
eurjchem-1920	144	7	3335	3335	NUM
eurjchem-1920	144	8	3608	3608	NUM
eurjchem-1920	144	9	3469	3469	NUM
eurjchem-1920	144	10	3460	3460	NUM
eurjchem-1920	144	11	70.00	70.00	NUM
eurjchem-1920	144	12	νnh18	νnh18	NOUN
eurjchem-1920	144	13	,	,	PUNCT
eurjchem-1920	144	14	100	100	NUM
eurjchem-1920	144	15	2	2	NUM
eurjchem-1920	144	16	3291	3291	NUM
eurjchem-1920	144	17	3428	3428	NUM
eurjchem-1920	144	18	3296	3296	NUM
eurjchem-1920	144	19	3287	3287	NUM
eurjchem-1920	144	20	424.28	424.28	NUM
eurjchem-1920	144	21	νnh4	νnh4	NOUN
eurjchem-1920	144	22	,	,	PUNCT
eurjchem-1920	144	23	99	99	NUM
eurjchem-1920	144	24	3	3	NUM
eurjchem-1920	144	25	3155	3155	NUM
eurjchem-1920	144	26	3275	3275	NUM
eurjchem-1920	144	27	3149	3149	NUM
eurjchem-1920	144	28	3140	3140	NUM
eurjchem-1920	144	29	2.26	2.26	NUM
eurjchem-1920	144	30	νcharom	νcharom	NOUN
eurjchem-1920	144	31	,	,	PUNCT
eurjchem-1920	144	32	99	99	NUM
eurjchem-1920	144	33	,	,	PUNCT
eurjchem-1920	144	34	sym	sym	NOUN
eurjchem-1920	144	35	4	4	NUM
eurjchem-1920	144	36	3112	3112	NUM
eurjchem-1920	144	37	3233	3233	NUM
eurjchem-1920	144	38	3108	3108	NUM
eurjchem-1920	144	39	3100	3100	NUM
eurjchem-1920	144	40	2.46	2.46	NUM
eurjchem-1920	144	41	νcharom	νcharom	ADP
eurjchem-1920	144	42	,	,	PUNCT
eurjchem-1920	144	43	90	90	NUM
eurjchem-1920	144	44	,	,	PUNCT
eurjchem-1920	144	45	sym	sym	NOUN
eurjchem-1920	144	46	5	5	NUM
eurjchem-1920	144	47	3101	3101	NUM
eurjchem-1920	144	48	3224	3224	NUM
eurjchem-1920	144	49	3099	3099	NUM
eurjchem-1920	144	50	3091	3091	NUM
eurjchem-1920	144	51	3.30	3.30	NUM
eurjchem-1920	144	52	νcharom	νcharom	ADP
eurjchem-1920	144	53	,	,	PUNCT
eurjchem-1920	144	54	96	96	NUM
eurjchem-1920	144	55	,	,	PUNCT
eurjchem-1920	144	56	sym	sym	NOUN
eurjchem-1920	144	57	6	6	NUM
eurjchem-1920	144	58	3095	3095	NUM
eurjchem-1920	144	59	3217	3217	NUM
eurjchem-1920	144	60	3093	3093	NUM
eurjchem-1920	144	61	3084	3084	NUM
eurjchem-1920	144	62	11.33	11.33	NUM
eurjchem-1920	144	63	νcharom	νcharom	NOUN
eurjchem-1920	144	64	,	,	PUNCT
eurjchem-1920	144	65	86	86	NUM
eurjchem-1920	144	66	,	,	PUNCT
eurjchem-1920	144	67	asym	asym	PROPN
eurjchem-1920	144	68	7	7	NUM
eurjchem-1920	144	69	3082	3082	NUM
eurjchem-1920	144	70	3210	3210	NUM
eurjchem-1920	144	71	3086	3086	NUM
eurjchem-1920	144	72	3078	3078	NUM
eurjchem-1920	144	73	16.69	16.69	NUM
eurjchem-1920	144	74	νcharom	νcharom	NOUN
eurjchem-1920	144	75	,	,	PUNCT
eurjchem-1920	144	76	99	99	NUM
eurjchem-1920	144	77	,	,	PUNCT
eurjchem-1920	144	78	asym	asym	PROPN
eurjchem-1920	144	79	8	8	NUM
eurjchem-1920	144	80	3078	3078	NUM
eurjchem-1920	144	81	3202	3202	NUM
eurjchem-1920	144	82	3078	3078	NUM
eurjchem-1920	144	83	3070	3070	NUM
eurjchem-1920	144	84	4.54	4.54	NUM
eurjchem-1920	144	85	νcharom	νcharom	NOUN
eurjchem-1920	144	86	,	,	PUNCT
eurjchem-1920	144	87	96	96	NUM
eurjchem-1920	144	88	,	,	PUNCT
eurjchem-1920	144	89	asym	asym	NOUN
eurjchem-1920	144	90	9	9	NUM
eurjchem-1920	144	91	3078	3078	NUM
eurjchem-1920	144	92	3195	3195	NUM
eurjchem-1920	144	93	3072	3072	NUM
eurjchem-1920	144	94	3064	3064	NUM
eurjchem-1920	144	95	2.72	2.72	NUM
eurjchem-1920	144	96	νcharom	νcharom	NOUN
eurjchem-1920	144	97	,	,	PUNCT
eurjchem-1920	144	98	96	96	NUM
eurjchem-1920	144	99	,	,	PUNCT
eurjchem-1920	144	100	asym	asym	PROPN
eurjchem-1920	144	101	10	10	NUM
eurjchem-1920	144	102	3064	3064	NUM
eurjchem-1920	144	103	3189	3189	NUM
eurjchem-1920	144	104	3066	3066	NUM
eurjchem-1920	144	105	3057	3057	NUM
eurjchem-1920	144	106	2.83	2.83	NUM
eurjchem-1920	144	107	νcharom	νcharom	NOUN
eurjchem-1920	144	108	,	,	PUNCT
eurjchem-1920	144	109	95	95	NUM
eurjchem-1920	144	110	,	,	PUNCT
eurjchem-1920	144	111	asym	asym	PROPN
eurjchem-1920	144	112	11	11	NUM
eurjchem-1920	144	113	1728	1728	NUM
eurjchem-1920	144	114	1806	1806	NUM
eurjchem-1920	144	115	1737	1737	NUM
eurjchem-1920	144	116	1732	1732	NUM
eurjchem-1920	144	117	109.6	109.6	NUM
eurjchem-1920	144	118	νco3	νco3	NOUN
eurjchem-1920	144	119	,	,	PUNCT
eurjchem-1920	144	120	76	76	NUM
eurjchem-1920	144	121	12	12	NUM
eurjchem-1920	144	122	1725	1725	NUM
eurjchem-1920	144	123	1796	1796	NUM
eurjchem-1920	144	124	1727	1727	NUM
eurjchem-1920	144	125	1722	1722	NUM
eurjchem-1920	144	126	418.59	418.59	NUM
eurjchem-1920	144	127	νco19	νco19	NOUN
eurjchem-1920	144	128	,	,	PUNCT
eurjchem-1920	144	129	65	65	NUM
eurjchem-1920	144	130	13	13	NUM
eurjchem-1920	144	131	1706	1706	NUM
eurjchem-1920	144	132	1778	1778	NUM
eurjchem-1920	144	133	1710	1710	NUM
eurjchem-1920	144	134	1705	1705	NUM
eurjchem-1920	144	135	109.42	109.42	NUM
eurjchem-1920	144	136	νco22	νco22	NOUN
eurjchem-1920	144	137	,	,	PUNCT
eurjchem-1920	144	138	81	81	NUM
eurjchem-1920	144	139	14	14	NUM
eurjchem-1920	144	140	1596	1596	NUM
eurjchem-1920	144	141	1657	1657	NUM
eurjchem-1920	144	142	1593	1593	NUM
eurjchem-1920	144	143	1589	1589	NUM
eurjchem-1920	144	144	7.90	7.90	NUM
eurjchem-1920	144	145	νccarom	νccarom	NOUN
eurjchem-1920	144	146	,	,	PUNCT
eurjchem-1920	144	147	58	58	NUM
eurjchem-1920	144	148	15	15	NUM
eurjchem-1920	144	149	1589	1589	NUM
eurjchem-1920	144	150	1654	1654	NUM
eurjchem-1920	144	151	1590	1590	NUM
eurjchem-1920	144	152	1586	1586	NUM
eurjchem-1920	144	153	1.69	1.69	NUM
eurjchem-1920	144	154	νccarom	νccarom	NOUN
eurjchem-1920	144	155	,	,	PUNCT
eurjchem-1920	144	156	53	53	NUM
eurjchem-1920	144	157	16	16	NUM
eurjchem-1920	144	158	1586	1586	NUM
eurjchem-1920	144	159	1646	1646	NUM
eurjchem-1920	144	160	1583	1583	NUM
eurjchem-1920	144	161	1579	1579	NUM
eurjchem-1920	144	162	85.73	85.73	NUM
eurjchem-1920	144	163	νccarom	νccarom	NOUN
eurjchem-1920	144	164	,	,	PUNCT
eurjchem-1920	144	165	38	38	NUM
eurjchem-1920	144	166	+	+	CCONJ
eurjchem-1920	144	167	δcnh	δcnh	NOUN
eurjchem-1920	144	168	,	,	PUNCT
eurjchem-1920	144	169	12	12	NUM
eurjchem-1920	144	170	+	+	NUM
eurjchem-1920	144	171	δccc	δccc	NOUN
eurjchem-1920	144	172	,	,	PUNCT
eurjchem-1920	144	173	11	11	NUM
eurjchem-1920	144	174	17	17	NUM
eurjchem-1920	144	175	1582	1582	NUM
eurjchem-1920	144	176	1638	1638	NUM
eurjchem-1920	144	177	1574	1574	NUM
eurjchem-1920	144	178	1570	1570	NUM
eurjchem-1920	144	179	4.65	4.65	NUM
eurjchem-1920	144	180	νccarom	νccarom	NOUN
eurjchem-1920	144	181	,	,	PUNCT
eurjchem-1920	144	182	41	41	NUM
eurjchem-1920	144	183	+	+	CCONJ
eurjchem-1920	144	184	δcnh	δcnh	NOUN
eurjchem-1920	144	185	,	,	PUNCT
eurjchem-1920	144	186	12	12	NUM
eurjchem-1920	144	187	18	18	NUM
eurjchem-1920	144	188	1524	1524	NUM
eurjchem-1920	144	189	1586	1586	NUM
eurjchem-1920	144	190	1525	1525	NUM
eurjchem-1920	144	191	1521	1521	NUM
eurjchem-1920	144	192	278.07	278.07	NUM
eurjchem-1920	144	193	νccarom	νccarom	NOUN
eurjchem-1920	144	194	,	,	PUNCT
eurjchem-1920	144	195	12	12	NUM
eurjchem-1920	144	196	+	+	CCONJ
eurjchem-1920	144	197	δcnh	δcnh	NOUN
eurjchem-1920	144	198	,	,	PUNCT
eurjchem-1920	144	199	44	44	NUM
eurjchem-1920	144	200	19	19	NUM
eurjchem-1920	144	201	1498	1498	NUM
eurjchem-1920	144	202	1568	1568	NUM
eurjchem-1920	144	203	1507	1507	NUM
eurjchem-1920	144	204	1503	1503	NUM
eurjchem-1920	144	205	173.34	173.34	NUM
eurjchem-1920	144	206	νncarom	νncarom	NOUN
eurjchem-1920	144	207	,	,	PUNCT
eurjchem-1920	144	208	16	16	NUM
eurjchem-1920	144	209	+	+	CCONJ
eurjchem-1920	144	210	δcnh	δcnh	NOUN
eurjchem-1920	144	211	,	,	PUNCT
eurjchem-1920	144	212	54	54	NUM
eurjchem-1920	144	213	20	20	NUM
eurjchem-1920	144	214	1487	1487	NUM
eurjchem-1920	144	215	1537	1537	NUM
eurjchem-1920	144	216	1477	1477	NUM
eurjchem-1920	144	217	1473	1473	NUM
eurjchem-1920	144	218	154.21	154.21	NUM
eurjchem-1920	144	219	νncarom	νncarom	NOUN
eurjchem-1920	144	220	,	,	PUNCT
eurjchem-1920	144	221	21	21	NUM
eurjchem-1920	144	222	+	+	CCONJ
eurjchem-1920	144	223	δcharom	δcharom	ADJ
eurjchem-1920	144	224	,	,	PUNCT
eurjchem-1920	144	225	ipb	ipb	PROPN
eurjchem-1920	144	226	,	,	PUNCT
eurjchem-1920	144	227	52	52	NUM
eurjchem-1920	144	228	+	+	SYM
eurjchem-1920	144	229	δccc	δccc	PROPN
eurjchem-1920	144	230	,	,	PUNCT
eurjchem-1920	144	231	21	21	NUM
eurjchem-1920	144	232	21	21	NUM
eurjchem-1920	144	233	1452	1452	NUM
eurjchem-1920	144	234	1524	1524	NUM
eurjchem-1920	144	235	1465	1465	NUM
eurjchem-1920	144	236	1462	1462	NUM
eurjchem-1920	144	237	47.67	47.67	NUM
eurjchem-1920	144	238	δcnh	δcnh	NOUN
eurjchem-1920	144	239	,	,	PUNCT
eurjchem-1920	144	240	22	22	NUM
eurjchem-1920	144	241	+	+	NUM
eurjchem-1920	144	242	δcch	δcch	NOUN
eurjchem-1920	144	243	,	,	PUNCT
eurjchem-1920	144	244	45	45	NUM
eurjchem-1920	144	245	22	22	NUM
eurjchem-1920	144	246	1440	1440	NUM
eurjchem-1920	144	247	1490	1490	NUM
eurjchem-1920	144	248	1432	1432	NUM
eurjchem-1920	144	249	1428	1428	NUM
eurjchem-1920	144	250	66.52	66.52	NUM
eurjchem-1920	144	251	δcharom	δcharom	ADP
eurjchem-1920	144	252	,	,	PUNCT
eurjchem-1920	144	253	ipb	ipb	PROPN
eurjchem-1920	144	254	,	,	PUNCT
eurjchem-1920	144	255	43	43	NUM
eurjchem-1920	144	256	+	+	CCONJ
eurjchem-1920	144	257	νccarom	νccarom	ADJ
eurjchem-1920	144	258	,	,	PUNCT
eurjchem-1920	144	259	24	24	NUM
eurjchem-1920	144	260	23	23	NUM
eurjchem-1920	144	261	1428	1428	NUM
eurjchem-1920	144	262	1480	1480	NUM
eurjchem-1920	144	263	1423	1423	NUM
eurjchem-1920	144	264	1419	1419	NUM
eurjchem-1920	144	265	27.35	27.35	NUM
eurjchem-1920	144	266	δcharom	δcharom	PROPN
eurjchem-1920	144	267	,	,	PUNCT
eurjchem-1920	144	268	ipb	ipb	PROPN
eurjchem-1920	144	269	,	,	PUNCT
eurjchem-1920	144	270	48	48	NUM
eurjchem-1920	144	271	+	+	CCONJ
eurjchem-1920	144	272	νccarom	νccarom	ADJ
eurjchem-1920	144	273	,	,	PUNCT
eurjchem-1920	144	274	22	22	NUM
eurjchem-1920	144	275	24	24	NUM
eurjchem-1920	144	276	1313	1313	NUM
eurjchem-1920	144	277	1363	1363	NUM
eurjchem-1920	144	278	1310	1310	NUM
eurjchem-1920	144	279	1307	1307	NUM
eurjchem-1920	144	280	23.77	23.77	NUM
eurjchem-1920	144	281	νccarom	νccarom	NOUN
eurjchem-1920	144	282	,	,	PUNCT
eurjchem-1920	144	283	63	63	NUM
eurjchem-1920	144	284	25	25	NUM
eurjchem-1920	144	285	1293	1293	NUM
eurjchem-1920	144	286	1342	1342	NUM
eurjchem-1920	144	287	1290	1290	NUM
eurjchem-1920	144	288	1286	1286	NUM
eurjchem-1920	144	289	93.02	93.02	NUM
eurjchem-1920	144	290	νccarom	νccarom	NOUN
eurjchem-1920	144	291	,	,	PUNCT
eurjchem-1920	144	292	69	69	NUM
eurjchem-1920	144	293	26	26	NUM
eurjchem-1920	144	294	1278	1278	NUM
eurjchem-1920	144	295	1330	1330	NUM
eurjchem-1920	144	296	1278	1278	NUM
eurjchem-1920	144	297	1275	1275	NUM
eurjchem-1920	144	298	79.08	79.08	NUM
eurjchem-1920	144	299	νccarom	νccarom	NOUN
eurjchem-1920	144	300	,	,	PUNCT
eurjchem-1920	144	301	21	21	NUM
eurjchem-1920	144	302	+	+	CCONJ
eurjchem-1920	144	303	νcn	νcn	ADJ
eurjchem-1920	144	304	,	,	PUNCT
eurjchem-1920	144	305	14	14	NUM
eurjchem-1920	144	306	+	+	CCONJ
eurjchem-1920	144	307	δcharom	δcharom	ADJ
eurjchem-1920	144	308	,	,	PUNCT
eurjchem-1920	144	309	ipb	ipb	PROPN
eurjchem-1920	144	310	,	,	PUNCT
eurjchem-1920	144	311	41	41	NUM
eurjchem-1920	144	312	27	27	NUM
eurjchem-1920	144	313	1268	1268	NUM
eurjchem-1920	144	314	1323	1323	NUM
eurjchem-1920	144	315	1272	1272	NUM
eurjchem-1920	144	316	1268	1268	NUM
eurjchem-1920	144	317	37.52	37.52	NUM
eurjchem-1920	144	318	νccarom	νccarom	NOUN
eurjchem-1920	144	319	,	,	PUNCT
eurjchem-1920	144	320	20	20	NUM
eurjchem-1920	144	321	+	+	CCONJ
eurjchem-1920	144	322	νcn	νcn	ADJ
eurjchem-1920	144	323	,	,	PUNCT
eurjchem-1920	144	324	10	10	NUM
eurjchem-1920	144	325	+	+	CCONJ
eurjchem-1920	144	326	δcharom	δcharom	ADJ
eurjchem-1920	144	327	,	,	PUNCT
eurjchem-1920	144	328	ipb	ipb	PROPN
eurjchem-1920	144	329	,	,	PUNCT
eurjchem-1920	144	330	45	45	NUM
eurjchem-1920	144	331	28	28	NUM
eurjchem-1920	144	332	1253	1253	NUM
eurjchem-1920	144	333	1297	1297	NUM
eurjchem-1920	144	334	1247	1247	NUM
eurjchem-1920	144	335	1243	1243	NUM
eurjchem-1920	144	336	55.48	55.48	NUM
eurjchem-1920	144	337	νcn	νcn	NOUN
eurjchem-1920	144	338	,	,	PUNCT
eurjchem-1920	144	339	38	38	NUM
eurjchem-1920	144	340	+	+	CCONJ
eurjchem-1920	144	341	δcharom	δcharom	ADJ
eurjchem-1920	144	342	,	,	PUNCT
eurjchem-1920	144	343	ipb	ipb	PROPN
eurjchem-1920	144	344	,	,	PUNCT
eurjchem-1920	144	345	21	21	NUM
eurjchem-1920	144	346	29	29	NUM
eurjchem-1920	144	347	1231	1231	NUM
eurjchem-1920	144	348	1283	1283	NUM
eurjchem-1920	144	349	1233	1233	NUM
eurjchem-1920	144	350	1230	1230	NUM
eurjchem-1920	144	351	183.56	183.56	NUM
eurjchem-1920	144	352	νccarom	νccarom	NOUN
eurjchem-1920	144	353	,	,	PUNCT
eurjchem-1920	144	354	19	19	NUM
eurjchem-1920	144	355	+	+	CCONJ
eurjchem-1920	144	356	νcn	νcn	ADJ
eurjchem-1920	144	357	,	,	PUNCT
eurjchem-1920	144	358	24	24	NUM
eurjchem-1920	144	359	+	+	CCONJ
eurjchem-1920	144	360	δcnh	δcnh	NOUN
eurjchem-1920	144	361	,	,	PUNCT
eurjchem-1920	144	362	20	20	NUM
eurjchem-1920	144	363	30	30	NUM
eurjchem-1920	144	364	1224	1224	NUM
eurjchem-1920	144	365	1275	1275	NUM
eurjchem-1920	144	366	1226	1226	NUM
eurjchem-1920	144	367	1222	1222	NUM
eurjchem-1920	144	368	92.55	92.55	NUM
eurjchem-1920	144	369	νcn	νcn	NOUN
eurjchem-1920	144	370	,	,	PUNCT
eurjchem-1920	144	371	35	35	NUM
eurjchem-1920	144	372	+	+	CCONJ
eurjchem-1920	144	373	δcnh	δcnh	NOUN
eurjchem-1920	144	374	,	,	PUNCT
eurjchem-1920	144	375	11	11	NUM
eurjchem-1920	144	376	+	+	CCONJ
eurjchem-1920	144	377	δcharom	δcharom	ADJ
eurjchem-1920	144	378	,	,	PUNCT
eurjchem-1920	144	379	ipb	ipb	PROPN
eurjchem-1920	144	380	,	,	PUNCT
eurjchem-1920	144	381	28	28	NUM
eurjchem-1920	144	382	31	31	NUM
eurjchem-1920	144	383	1200	1200	NUM
eurjchem-1920	144	384	1254	1254	NUM
eurjchem-1920	144	385	1206	1206	NUM
eurjchem-1920	144	386	1203	1203	NUM
eurjchem-1920	144	387	20.01	20.01	NUM
eurjchem-1920	144	388	νcn	νcn	NOUN
eurjchem-1920	144	389	,	,	PUNCT
eurjchem-1920	144	390	27	27	NUM
eurjchem-1920	144	391	+	+	CCONJ
eurjchem-1920	144	392	δcharom	δcharom	ADJ
eurjchem-1920	144	393	,	,	PUNCT
eurjchem-1920	144	394	ipb	ipb	PROPN
eurjchem-1920	144	395	,	,	PUNCT
eurjchem-1920	144	396	33	33	NUM
eurjchem-1920	144	397	32	32	NUM
eurjchem-1920	144	398	1176	1176	NUM
eurjchem-1920	144	399	1220	1220	NUM
eurjchem-1920	144	400	1173	1173	NUM
eurjchem-1920	144	401	1169	1169	NUM
eurjchem-1920	144	402	57.81	57.81	NUM
eurjchem-1920	144	403	νcn	νcn	NOUN
eurjchem-1920	144	404	,	,	PUNCT
eurjchem-1920	144	405	35	35	NUM
eurjchem-1920	144	406	+	+	CCONJ
eurjchem-1920	144	407	δcharom	δcharom	ADJ
eurjchem-1920	144	408	,	,	PUNCT
eurjchem-1920	144	409	ipb	ipb	PROPN
eurjchem-1920	144	410	,	,	PUNCT
eurjchem-1920	144	411	42	42	NUM
eurjchem-1920	144	412	33	33	NUM
eurjchem-1920	144	413	1169	1169	NUM
eurjchem-1920	144	414	1218	1218	NUM
eurjchem-1920	144	415	1171	1171	NUM
eurjchem-1920	144	416	1168	1168	NUM
eurjchem-1920	144	417	19.64	19.64	NUM
eurjchem-1920	144	418	νcn	νcn	NOUN
eurjchem-1920	144	419	,	,	PUNCT
eurjchem-1920	144	420	28	28	NUM
eurjchem-1920	144	421	+	+	CCONJ
eurjchem-1920	144	422	δcharom	δcharom	ADJ
eurjchem-1920	144	423	,	,	PUNCT
eurjchem-1920	144	424	ipb	ipb	PROPN
eurjchem-1920	144	425	,	,	PUNCT
eurjchem-1920	144	426	45	45	NUM
eurjchem-1920	144	427	+	+	CCONJ
eurjchem-1920	144	428	νcccl	νcccl	NOUN
eurjchem-1920	144	429	,	,	PUNCT
eurjchem-1920	144	430	11	11	NUM
eurjchem-1920	144	431	34	34	NUM
eurjchem-1920	144	432	1156	1156	NUM
eurjchem-1920	144	433	1199	1199	NUM
eurjchem-1920	144	434	1153	1153	NUM
eurjchem-1920	144	435	1150	1150	NUM
eurjchem-1920	144	436	11.33	11.33	NUM
eurjchem-1920	144	437	νccarom	νccarom	NOUN
eurjchem-1920	144	438	,	,	PUNCT
eurjchem-1920	144	439	24	24	NUM
eurjchem-1920	144	440	+	+	CCONJ
eurjchem-1920	144	441	δcharom	δcharom	ADJ
eurjchem-1920	144	442	,	,	PUNCT
eurjchem-1920	144	443	ipb	ipb	PROPN
eurjchem-1920	144	444	,	,	PUNCT
eurjchem-1920	144	445	45	45	NUM
eurjchem-1920	144	446	+	+	CCONJ
eurjchem-1920	144	447	νcccl	νcccl	NOUN
eurjchem-1920	144	448	,	,	PUNCT
eurjchem-1920	144	449	14	14	NUM
eurjchem-1920	144	450	35	35	NUM
eurjchem-1920	144	451	1145	1145	NUM
eurjchem-1920	144	452	1196	1196	NUM
eurjchem-1920	144	453	1150	1150	NUM
eurjchem-1920	144	454	1146	1146	NUM
eurjchem-1920	144	455	0.79	0.79	NUM
eurjchem-1920	144	456	νccarom	νccarom	NOUN
eurjchem-1920	144	457	,	,	PUNCT
eurjchem-1920	144	458	14	14	NUM
eurjchem-1920	144	459	+	+	CCONJ
eurjchem-1920	144	460	δcharom	δcharom	ADJ
eurjchem-1920	144	461	,	,	PUNCT
eurjchem-1920	144	462	ipb	ipb	PROPN
eurjchem-1920	144	463	,	,	PUNCT
eurjchem-1920	144	464	46	46	NUM
eurjchem-1920	144	465	36	36	NUM
eurjchem-1920	144	466	1145	1145	NUM
eurjchem-1920	144	467	1192	1192	NUM
eurjchem-1920	144	468	1146	1146	NUM
eurjchem-1920	144	469	1143	1143	NUM
eurjchem-1920	144	470	5.41	5.41	NUM
eurjchem-1920	144	471	νccarom	νccarom	NOUN
eurjchem-1920	144	472	,	,	PUNCT
eurjchem-1920	144	473	10	10	NUM
eurjchem-1920	144	474	+	+	CCONJ
eurjchem-1920	144	475	δcharom	δcharom	ADJ
eurjchem-1920	144	476	,	,	PUNCT
eurjchem-1920	144	477	ipb	ipb	PROPN
eurjchem-1920	144	478	,	,	PUNCT
eurjchem-1920	144	479	48	48	NUM
eurjchem-1920	144	480	+	+	CCONJ
eurjchem-1920	144	481	νcccl	νcccl	NOUN
eurjchem-1920	144	482	,	,	PUNCT
eurjchem-1920	144	483	13	13	NUM
eurjchem-1920	144	484	37	37	NUM
eurjchem-1920	144	485	1103	1103	NUM
eurjchem-1920	144	486	1147	1147	NUM
eurjchem-1920	144	487	1103	1103	NUM
eurjchem-1920	144	488	1100	1100	NUM
eurjchem-1920	144	489	12.18	12.18	NUM
eurjchem-1920	144	490	νccarom	νccarom	NOUN
eurjchem-1920	144	491	,	,	PUNCT
eurjchem-1920	144	492	11	11	NUM
eurjchem-1920	144	493	+	+	CCONJ
eurjchem-1920	144	494	δcharom	δcharom	ADJ
eurjchem-1920	144	495	,	,	PUNCT
eurjchem-1920	144	496	ipb	ipb	PROPN
eurjchem-1920	144	497	,	,	PUNCT
eurjchem-1920	144	498	42	42	NUM
eurjchem-1920	144	499	38	38	NUM
eurjchem-1920	144	500	1087	1087	NUM
eurjchem-1920	144	501	1125	1125	NUM
eurjchem-1920	144	502	1081	1081	NUM
eurjchem-1920	144	503	1078	1078	NUM
eurjchem-1920	144	504	11.24	11.24	NUM
eurjchem-1920	144	505	νccarom	νccarom	NOUN
eurjchem-1920	144	506	,	,	PUNCT
eurjchem-1920	144	507	11	11	NUM
eurjchem-1920	144	508	+	+	CCONJ
eurjchem-1920	144	509	δcharom	δcharom	ADJ
eurjchem-1920	144	510	,	,	PUNCT
eurjchem-1920	144	511	ipb	ipb	PROPN
eurjchem-1920	144	512	,	,	PUNCT
eurjchem-1920	144	513	42	42	NUM
eurjchem-1920	144	514	39	39	NUM
eurjchem-1920	144	515	1049	1049	NUM
eurjchem-1920	144	516	1087	1087	NUM
eurjchem-1920	144	517	1045	1045	NUM
eurjchem-1920	144	518	1042	1042	NUM
eurjchem-1920	144	519	4.15	4.15	NUM
eurjchem-1920	144	520	νccarom	νccarom	NOUN
eurjchem-1920	144	521	,	,	PUNCT
eurjchem-1920	144	522	45	45	NUM
eurjchem-1920	144	523	+	+	NUM
eurjchem-1920	144	524	νcccl	νcccl	NOUN
eurjchem-1920	144	525	,	,	PUNCT
eurjchem-1920	144	526	10	10	NUM
eurjchem-1920	144	527	40	40	NUM
eurjchem-1920	144	528	1038	1038	NUM
eurjchem-1920	144	529	1084	1084	NUM
eurjchem-1920	144	530	1042	1042	NUM
eurjchem-1920	144	531	1039	1039	NUM
eurjchem-1920	144	532	3.98	3.98	NUM
eurjchem-1920	144	533	νccarom	νccarom	NOUN
eurjchem-1920	144	534	,	,	PUNCT
eurjchem-1920	144	535	42	42	NUM
eurjchem-1920	144	536	41	41	NUM
eurjchem-1920	144	537	952	952	NUM
eurjchem-1920	144	538	997	997	NUM
eurjchem-1920	144	539	958	958	NUM
eurjchem-1920	144	540	956	956	NUM
eurjchem-1920	144	541	0.27	0.27	NUM
eurjchem-1920	144	542	δcharom	δcharom	ADJ
eurjchem-1920	144	543	,	,	PUNCT
eurjchem-1920	144	544	opb	opb	ADJ
eurjchem-1920	144	545	,	,	PUNCT
eurjchem-1920	144	546	75	75	NUM
eurjchem-1920	144	547	42	42	NUM
eurjchem-1920	144	548	952	952	NUM
eurjchem-1920	144	549	993	993	NUM
eurjchem-1920	144	550	954	954	NUM
eurjchem-1920	144	551	952	952	NUM
eurjchem-1920	144	552	0.20	0.20	NUM
eurjchem-1920	144	553	δcharom	δcharom	ADP
eurjchem-1920	144	554	,	,	PUNCT
eurjchem-1920	144	555	opb	opb	ADJ
eurjchem-1920	144	556	,	,	PUNCT
eurjchem-1920	144	557	79	79	NUM
eurjchem-1920	144	558	43	43	NUM
eurjchem-1920	144	559	945	945	NUM
eurjchem-1920	144	560	986	986	NUM
eurjchem-1920	144	561	948	948	NUM
eurjchem-1920	144	562	945	945	NUM
eurjchem-1920	144	563	3.82	3.82	NUM
eurjchem-1920	144	564	δcharom	δcharom	NOUN
eurjchem-1920	144	565	,	,	PUNCT
eurjchem-1920	144	566	opb	opb	ADJ
eurjchem-1920	144	567	,	,	PUNCT
eurjchem-1920	144	568	35	35	NUM
eurjchem-1920	144	569	+	+	SYM
eurjchem-1920	144	570	δccc	δccc	PROPN
eurjchem-1920	144	571	,	,	PUNCT
eurjchem-1920	144	572	21	21	NUM
eurjchem-1920	144	573	+	+	CCONJ
eurjchem-1920	144	574	νcc	νcc	NOUN
eurjchem-1920	144	575	,	,	PUNCT
eurjchem-1920	144	576	20	20	NUM
eurjchem-1920	144	577	+	+	NUM
eurjchem-1920	144	578	νcccl	νcccl	NOUN
eurjchem-1920	144	579	,	,	PUNCT
eurjchem-1920	144	580	12	12	NUM
eurjchem-1920	144	581	44	44	NUM
eurjchem-1920	144	582	942	942	NUM
eurjchem-1920	144	583	977	977	NUM
eurjchem-1920	144	584	939	939	NUM
eurjchem-1920	144	585	936	936	NUM
eurjchem-1920	144	586	0.50	0.50	NUM
eurjchem-1920	144	587	νcccl	νcccl	NOUN
eurjchem-1920	144	588	,	,	PUNCT
eurjchem-1920	144	589	32	32	NUM
eurjchem-1920	144	590	+	+	CCONJ
eurjchem-1920	144	591	δocn	δocn	ADJ
eurjchem-1920	144	592	,	,	PUNCT
eurjchem-1920	144	593	23	23	NUM
eurjchem-1920	144	594	+	+	CCONJ
eurjchem-1920	144	595	νcc	νcc	NOUN
eurjchem-1920	144	596	,	,	PUNCT
eurjchem-1920	144	597	35	35	NUM
eurjchem-1920	144	598	45	45	NUM
eurjchem-1920	144	599	921	921	NUM
eurjchem-1920	144	600	963	963	NUM
eurjchem-1920	144	601	926	926	NUM
eurjchem-1920	144	602	923	923	NUM
eurjchem-1920	144	603	2.13	2.13	NUM
eurjchem-1920	144	604	δcharom	δcharom	ADP
eurjchem-1920	144	605	,	,	PUNCT
eurjchem-1920	144	606	opb	opb	ADJ
eurjchem-1920	144	607	,	,	PUNCT
eurjchem-1920	144	608	24	24	NUM
eurjchem-1920	144	609	+	+	CCONJ
eurjchem-1920	144	610	νcccl	νcccl	NOUN
eurjchem-1920	144	611	,	,	PUNCT
eurjchem-1920	144	612	19	19	NUM
eurjchem-1920	144	613	46	46	NUM
eurjchem-1920	144	614	918	918	NUM
eurjchem-1920	144	615	958	958	NUM
eurjchem-1920	144	616	921	921	NUM
eurjchem-1920	144	617	918	918	NUM
eurjchem-1920	144	618	0.84	0.84	NUM
eurjchem-1920	144	619	δcharom	δcharom	ADP
eurjchem-1920	144	620	,	,	PUNCT
eurjchem-1920	144	621	opb	opb	ADJ
eurjchem-1920	144	622	,	,	PUNCT
eurjchem-1920	144	623	35	35	NUM
eurjchem-1920	144	624	+	+	CCONJ
eurjchem-1920	144	625	νcccl	νcccl	NOUN
eurjchem-1920	144	626	,	,	PUNCT
eurjchem-1920	144	627	12	12	NUM
eurjchem-1920	144	628	+	+	CCONJ
eurjchem-1920	144	629	δcnh	δcnh	NOUN
eurjchem-1920	144	630	,	,	PUNCT
eurjchem-1920	144	631	28	28	NUM
eurjchem-1920	144	632	47	47	NUM
eurjchem-1920	144	633	918	918	NUM
eurjchem-1920	144	634	956	956	NUM
eurjchem-1920	144	635	919	919	NUM
eurjchem-1920	144	636	916	916	NUM
eurjchem-1920	144	637	2.05	2.05	NUM
eurjchem-1920	144	638	δcharom	δcharom	ADP
eurjchem-1920	144	639	,	,	PUNCT
eurjchem-1920	144	640	opb	opb	ADJ
eurjchem-1920	144	641	,	,	PUNCT
eurjchem-1920	144	642	46	46	NUM
eurjchem-1920	144	643	+	+	NUM
eurjchem-1920	144	644	νcccl	νcccl	NOUN
eurjchem-1920	144	645	,	,	PUNCT
eurjchem-1920	144	646	13	13	NUM
eurjchem-1920	144	647	48	48	NUM
eurjchem-1920	144	648	882	882	NUM
eurjchem-1920	144	649	921	921	NUM
eurjchem-1920	144	650	885	885	NUM
eurjchem-1920	144	651	883	883	NUM
eurjchem-1920	144	652	11.51	11.51	NUM
eurjchem-1920	144	653	δcccring	δcccring	NOUN
eurjchem-1920	144	654	,	,	PUNCT
eurjchem-1920	144	655	65	65	NUM
eurjchem-1920	144	656	+	+	CCONJ
eurjchem-1920	144	657	νcn	νcn	ADJ
eurjchem-1920	144	658	,	,	PUNCT
eurjchem-1920	144	659	21	21	NUM
eurjchem-1920	144	660	+	+	CCONJ
eurjchem-1920	144	661	δcharom	δcharom	ADJ
eurjchem-1920	144	662	,	,	PUNCT
eurjchem-1920	144	663	opb	opb	ADJ
eurjchem-1920	144	664	,	,	PUNCT
eurjchem-1920	144	665	12	12	NUM
eurjchem-1920	144	666	49	49	NUM
eurjchem-1920	144	667	860	860	NUM
eurjchem-1920	144	668	897	897	NUM
eurjchem-1920	144	669	862	862	NUM
eurjchem-1920	144	670	860	860	NUM
eurjchem-1920	144	671	22.27	22.27	NUM
eurjchem-1920	144	672	δcharom	δcharom	NOUN
eurjchem-1920	144	673	,	,	PUNCT
eurjchem-1920	144	674	opb	opb	ADJ
eurjchem-1920	144	675	,	,	PUNCT
eurjchem-1920	144	676	46	46	NUM
eurjchem-1920	144	677	+	+	CCONJ
eurjchem-1920	144	678	νcc	νcc	NOUN
eurjchem-1920	144	679	,	,	PUNCT
eurjchem-1920	144	680	11	11	NUM
eurjchem-1920	144	681	+	+	CCONJ
eurjchem-1920	144	682	δccn	δccn	NOUN
eurjchem-1920	144	683	,	,	PUNCT
eurjchem-1920	144	684	20	20	NUM
eurjchem-1920	144	685	50	50	NUM
eurjchem-1920	144	686	856	856	NUM
eurjchem-1920	144	687	887	887	NUM
eurjchem-1920	144	688	852	852	NUM
eurjchem-1920	144	689	850	850	NUM
eurjchem-1920	144	690	67.09	67.09	NUM
eurjchem-1920	144	691	δcharom	δcharom	ADP
eurjchem-1920	144	692	,	,	PUNCT
eurjchem-1920	144	693	opb	opb	ADJ
eurjchem-1920	144	694	,	,	PUNCT
eurjchem-1920	144	695	22	22	NUM
eurjchem-1920	144	696	+	+	CCONJ
eurjchem-1920	144	697	δcccring	δcccre	VERB
eurjchem-1920	144	698	,	,	PUNCT
eurjchem-1920	144	699	35	35	NUM
eurjchem-1920	144	700	+	+	CCONJ
eurjchem-1920	144	701	νcccl	νcccl	NOUN
eurjchem-1920	144	702	,	,	PUNCT
eurjchem-1920	144	703	11	11	NUM
eurjchem-1920	144	704	51	51	NUM
eurjchem-1920	144	705	842	842	NUM
eurjchem-1920	144	706	881	881	NUM
eurjchem-1920	144	707	847	847	NUM
eurjchem-1920	144	708	844	844	NUM
eurjchem-1920	144	709	34.39	34.39	NUM
eurjchem-1920	144	710	δcharom	δcharom	ADP
eurjchem-1920	144	711	,	,	PUNCT
eurjchem-1920	144	712	opb	opb	ADJ
eurjchem-1920	144	713	,	,	PUNCT
eurjchem-1920	144	714	51	51	NUM
eurjchem-1920	144	715	+	+	CCONJ
eurjchem-1920	144	716	δccn	δccn	PROPN
eurjchem-1920	144	717	,	,	PUNCT
eurjchem-1920	144	718	22	22	NUM
eurjchem-1920	144	719	52	52	NUM
eurjchem-1920	144	720	840	840	NUM
eurjchem-1920	144	721	873	873	NUM
eurjchem-1920	144	722	839	839	NUM
eurjchem-1920	144	723	837	837	NUM
eurjchem-1920	144	724	31.59	31.59	NUM
eurjchem-1920	144	725	δcharom	δcharom	ADP
eurjchem-1920	144	726	,	,	PUNCT
eurjchem-1920	144	727	opb	opb	ADJ
eurjchem-1920	144	728	,	,	PUNCT
eurjchem-1920	144	729	58	58	NUM
eurjchem-1920	144	730	+	+	CCONJ
eurjchem-1920	144	731	δccn	δccn	PROPN
eurjchem-1920	144	732	,	,	PUNCT
eurjchem-1920	144	733	24	24	NUM
eurjchem-1920	144	734	53	53	NUM
eurjchem-1920	144	735	808	808	NUM
eurjchem-1920	144	736	834	834	NUM
eurjchem-1920	144	737	802	802	NUM
eurjchem-1920	144	738	800	800	NUM
eurjchem-1920	144	739	90.63	90.63	NUM
eurjchem-1920	144	740	νccl	νccl	NOUN
eurjchem-1920	144	741	,	,	PUNCT
eurjchem-1920	144	742	61	61	NUM
eurjchem-1920	144	743	+	+	CCONJ
eurjchem-1920	144	744	δccn	δccn	NOUN
eurjchem-1920	144	745	,	,	PUNCT
eurjchem-1920	144	746	17	17	NUM
eurjchem-1920	144	747	+	+	CCONJ
eurjchem-1920	144	748	δnh	δnh	NOUN
eurjchem-1920	144	749	,	,	PUNCT
eurjchem-1920	144	750	opb	opb	ADJ
eurjchem-1920	144	751	,	,	PUNCT
eurjchem-1920	144	752	16	16	NUM
eurjchem-1920	144	753	54	54	NUM
eurjchem-1920	144	754	798	798	NUM
eurjchem-1920	144	755	823	823	NUM
eurjchem-1920	144	756	791	791	NUM
eurjchem-1920	144	757	789	789	NUM
eurjchem-1920	144	758	76.55	76.55	NUM
eurjchem-1920	144	759	νccl	νccl	NOUN
eurjchem-1920	144	760	,	,	PUNCT
eurjchem-1920	144	761	52	52	NUM
eurjchem-1920	144	762	+	+	NUM
eurjchem-1920	144	763	δnh	δnh	NOUN
eurjchem-1920	144	764	,	,	PUNCT
eurjchem-1920	144	765	opb	opb	ADJ
eurjchem-1920	144	766	,	,	PUNCT
eurjchem-1920	144	767	40	40	NUM
eurjchem-1920	144	768	55	55	NUM
eurjchem-1920	144	769	786	786	NUM
eurjchem-1920	144	770	814	814	NUM
eurjchem-1920	144	771	782	782	NUM
eurjchem-1920	144	772	780	780	NUM
eurjchem-1920	144	773	67.37	67.37	NUM
eurjchem-1920	144	774	νccl	νccl	NOUN
eurjchem-1920	144	775	,	,	PUNCT
eurjchem-1920	144	776	50	50	NUM
eurjchem-1920	144	777	+	+	CCONJ
eurjchem-1920	144	778	δcharom	δcharom	ADJ
eurjchem-1920	144	779	,	,	PUNCT
eurjchem-1920	144	780	opb	opb	ADJ
eurjchem-1920	144	781	,	,	PUNCT
eurjchem-1920	144	782	22	22	NUM
eurjchem-1920	144	783	+	+	CCONJ
eurjchem-1920	144	784	δcccring	δcccre	VERB
eurjchem-1920	144	785	,	,	PUNCT
eurjchem-1920	144	786	12	12	NUM
eurjchem-1920	144	787	56	56	NUM
eurjchem-1920	144	788	773	773	NUM
eurjchem-1920	144	789	807	807	NUM
eurjchem-1920	144	790	776	776	NUM
eurjchem-1920	144	791	773	773	NUM
eurjchem-1920	144	792	63.70	63.70	NUM
eurjchem-1920	144	793	νccl	νccl	NOUN
eurjchem-1920	144	794	,	,	PUNCT
eurjchem-1920	144	795	44	44	NUM
eurjchem-1920	144	796	+	+	CCONJ
eurjchem-1920	144	797	δcharom	δcharom	ADJ
eurjchem-1920	144	798	,	,	PUNCT
eurjchem-1920	144	799	opb	opb	ADJ
eurjchem-1920	144	800	,	,	PUNCT
eurjchem-1920	144	801	20	20	NUM
eurjchem-1920	144	802	+	+	CCONJ
eurjchem-1920	144	803	δcccring	δcccring	NOUN
eurjchem-1920	144	804	,	,	PUNCT
eurjchem-1920	144	805	15	15	NUM
eurjchem-1920	144	806	57	57	NUM
eurjchem-1920	144	807	770	770	NUM
eurjchem-1920	144	808	805	805	NUM
eurjchem-1920	144	809	773	773	NUM
eurjchem-1920	144	810	771	771	NUM
eurjchem-1920	144	811	52.04	52.04	NUM
eurjchem-1920	144	812	γc	γc	NOUN
eurjchem-1920	144	813	-	-	PUNCT
eurjchem-1920	144	814	ccarb	ccarb	NOUN
eurjchem-1920	144	815	,	,	PUNCT
eurjchem-1920	144	816	39	39	NUM
eurjchem-1920	144	817	+	+	CCONJ
eurjchem-1920	144	818	νccl	νccl	NOUN
eurjchem-1920	144	819	,	,	PUNCT
eurjchem-1920	144	820	16	16	NUM
eurjchem-1920	144	821	58	58	NUM
eurjchem-1920	144	822	759	759	NUM
eurjchem-1920	144	823	796	796	NUM
eurjchem-1920	144	824	766	766	NUM
eurjchem-1920	144	825	764	764	NUM
eurjchem-1920	144	826	127.74	127.74	NUM
eurjchem-1920	144	827	γc	γc	NOUN
eurjchem-1920	144	828	-	-	PUNCT
eurjchem-1920	144	829	ccarb	ccarb	NOUN
eurjchem-1920	144	830	,	,	PUNCT
eurjchem-1920	144	831	38	38	NUM
eurjchem-1920	144	832	+	+	NUM
eurjchem-1920	144	833	νccl	νccl	NOUN
eurjchem-1920	144	834	,	,	PUNCT
eurjchem-1920	144	835	17	17	NUM
eurjchem-1920	144	836	59	59	NUM
eurjchem-1920	144	837	752	752	NUM
eurjchem-1920	144	838	783	783	NUM
eurjchem-1920	144	839	753	753	NUM
eurjchem-1920	144	840	751	751	NUM
eurjchem-1920	144	841	27.65	27.65	NUM
eurjchem-1920	144	842	δcharom	δcharom	NOUN
eurjchem-1920	144	843	,	,	PUNCT
eurjchem-1920	144	844	opb	opb	ADJ
eurjchem-1920	144	845	,	,	PUNCT
eurjchem-1920	144	846	71	71	NUM
eurjchem-1920	144	847	60	60	NUM
eurjchem-1920	144	848	749	749	NUM
eurjchem-1920	144	849	780	780	NUM
eurjchem-1920	144	850	750	750	NUM
eurjchem-1920	144	851	748	748	NUM
eurjchem-1920	144	852	63.3	63.3	NUM
eurjchem-1920	144	853	δcharom	δcharom	ADP
eurjchem-1920	144	854	,	,	PUNCT
eurjchem-1920	144	855	opb	opb	ADJ
eurjchem-1920	144	856	,	,	PUNCT
eurjchem-1920	144	857	64	64	NUM
eurjchem-1920	144	858	61	61	NUM
eurjchem-1920	144	859	740	740	NUM
eurjchem-1920	144	860	774	774	NUM
eurjchem-1920	144	861	744	744	NUM
eurjchem-1920	144	862	742	742	NUM
eurjchem-1920	144	863	41.66	41.66	NUM
eurjchem-1920	144	864	δcharom	δcharom	ADP
eurjchem-1920	144	865	,	,	PUNCT
eurjchem-1920	144	866	opb	opb	ADJ
eurjchem-1920	144	867	,	,	PUNCT
eurjchem-1920	144	868	62	62	NUM
eurjchem-1920	144	869	+	+	NUM
eurjchem-1920	144	870	γc	γc	NOUN
eurjchem-1920	144	871	-	-	NOUN
eurjchem-1920	144	872	ccarb	ccarb	NOUN
eurjchem-1920	144	873	,	,	PUNCT
eurjchem-1920	144	874	12	12	NUM
eurjchem-1920	144	875	62	62	NUM
eurjchem-1920	144	876	735	735	NUM
eurjchem-1920	144	877	761	761	NUM
eurjchem-1920	144	878	732	732	NUM
eurjchem-1920	144	879	730	730	NUM
eurjchem-1920	144	880	42.12	42.12	NUM
eurjchem-1920	144	881	δcharom	δcharom	ADP
eurjchem-1920	144	882	,	,	PUNCT
eurjchem-1920	144	883	opb	opb	ADJ
eurjchem-1920	144	884	,	,	PUNCT
eurjchem-1920	144	885	60	60	NUM
eurjchem-1920	144	886	+	+	CCONJ
eurjchem-1920	144	887	γnh	γnh	PROPN
eurjchem-1920	144	888	,	,	PUNCT
eurjchem-1920	144	889	17	17	NUM
eurjchem-1920	144	890	+	+	CCONJ
eurjchem-1920	144	891	δcccring	δcccre	VERB
eurjchem-1920	144	892	,	,	PUNCT
eurjchem-1920	144	893	10	10	NUM
eurjchem-1920	144	894	63	63	NUM
eurjchem-1920	144	895	723	723	NUM
eurjchem-1920	144	896	752	752	NUM
eurjchem-1920	144	897	723	723	NUM
eurjchem-1920	144	898	721	721	NUM
eurjchem-1920	144	899	52.11	52.11	NUM
eurjchem-1920	144	900	δcharom	δcharom	ADP
eurjchem-1920	144	901	,	,	PUNCT
eurjchem-1920	144	902	opb	opb	ADJ
eurjchem-1920	144	903	,	,	PUNCT
eurjchem-1920	144	904	44	44	NUM
eurjchem-1920	144	905	+	+	NUM
eurjchem-1920	144	906	γc	γc	NOUN
eurjchem-1920	144	907	-	-	NOUN
eurjchem-1920	144	908	ccarb	ccarb	NOUN
eurjchem-1920	144	909	,	,	PUNCT
eurjchem-1920	144	910	42	42	NUM
eurjchem-1920	144	911	64	64	NUM
eurjchem-1920	144	912	716	716	NUM
eurjchem-1920	144	913	742	742	NUM
eurjchem-1920	144	914	713	713	NUM
eurjchem-1920	144	915	711	711	NUM
eurjchem-1920	144	916	4.30	4.30	NUM
eurjchem-1920	144	917	γnh	γnh	NOUN
eurjchem-1920	144	918	,	,	PUNCT
eurjchem-1920	144	919	58	58	NUM
eurjchem-1920	144	920	+	+	CCONJ
eurjchem-1920	144	921	δcharom	δcharom	ADJ
eurjchem-1920	144	922	,	,	PUNCT
eurjchem-1920	144	923	opb	opb	ADJ
eurjchem-1920	144	924	,	,	PUNCT
eurjchem-1920	144	925	13	13	NUM
eurjchem-1920	144	926	65	65	NUM
eurjchem-1920	144	927	702	702	NUM
eurjchem-1920	144	928	735	735	NUM
eurjchem-1920	144	929	706	706	NUM
eurjchem-1920	144	930	705	705	NUM
eurjchem-1920	144	931	18.97	18.97	NUM
eurjchem-1920	144	932	γnh	γnh	NOUN
eurjchem-1920	144	933	,	,	PUNCT
eurjchem-1920	144	934	69	69	NUM
eurjchem-1920	144	935	+	+	CCONJ
eurjchem-1920	144	936	δcharom	δcharom	ADJ
eurjchem-1920	144	937	,	,	PUNCT
eurjchem-1920	144	938	opb	opb	ADJ
eurjchem-1920	144	939	,	,	PUNCT
eurjchem-1920	144	940	23	23	NUM
eurjchem-1920	144	941	66	66	NUM
eurjchem-1920	144	942	679	679	NUM
eurjchem-1920	144	943	712	712	NUM
eurjchem-1920	144	944	684	684	NUM
eurjchem-1920	144	945	682	682	NUM
eurjchem-1920	144	946	25.34	25.34	NUM
eurjchem-1920	144	947	γnh	γnh	NOUN
eurjchem-1920	144	948	,	,	PUNCT
eurjchem-1920	144	949	47	47	NUM
eurjchem-1920	144	950	+	+	CCONJ
eurjchem-1920	144	951	δcharom	δcharom	ADJ
eurjchem-1920	144	952	,	,	PUNCT
eurjchem-1920	144	953	opb	opb	ADJ
eurjchem-1920	144	954	,	,	PUNCT
eurjchem-1920	144	955	21	21	NUM
eurjchem-1920	144	956	+	+	CCONJ
eurjchem-1920	144	957	νccl	νccl	NOUN
eurjchem-1920	144	958	,	,	PUNCT
eurjchem-1920	144	959	15	15	NUM
eurjchem-1920	144	960	67	67	NUM
eurjchem-1920	144	961	660	660	NUM
eurjchem-1920	144	962	675	675	NUM
eurjchem-1920	144	963	649	649	NUM
eurjchem-1920	144	964	647	647	NUM
eurjchem-1920	144	965	39.47	39.47	NUM
eurjchem-1920	144	966	δcccring	δcccring	NOUN
eurjchem-1920	144	967	,	,	PUNCT
eurjchem-1920	144	968	38	38	NUM
eurjchem-1920	144	969	+	+	CCONJ
eurjchem-1920	144	970	δcharom	δcharom	ADJ
eurjchem-1920	144	971	,	,	PUNCT
eurjchem-1920	144	972	opb	opb	ADJ
eurjchem-1920	144	973	,	,	PUNCT
eurjchem-1920	144	974	21	21	NUM
eurjchem-1920	144	975	+	+	CCONJ
eurjchem-1920	144	976	δnco	δnco	NOUN
eurjchem-1920	144	977	,	,	PUNCT
eurjchem-1920	144	978	11	11	NUM
eurjchem-1920	144	979	68	68	NUM
eurjchem-1920	144	980	636	636	NUM
eurjchem-1920	144	981	659	659	NUM
eurjchem-1920	144	982	634	634	NUM
eurjchem-1920	144	983	632	632	NUM
eurjchem-1920	144	984	65.29	65.29	NUM
eurjchem-1920	144	985	δcccring	δcccring	NOUN
eurjchem-1920	144	986	,	,	PUNCT
eurjchem-1920	144	987	20	20	NUM
eurjchem-1920	144	988	+	+	SYM
eurjchem-1920	144	989	γc	γc	PROPN
eurjchem-1920	144	990	,	,	PUNCT
eurjchem-1920	144	991	45	45	NUM
eurjchem-1920	144	992	+	+	NUM
eurjchem-1920	144	993	νccl	νccl	NOUN
eurjchem-1920	144	994	,	,	PUNCT
eurjchem-1920	144	995	19	19	NUM
eurjchem-1920	144	996	69	69	NUM
eurjchem-1920	144	997	621	621	NUM
eurjchem-1920	144	998	651	651	NUM
eurjchem-1920	144	999	626	626	NUM
eurjchem-1920	144	1000	624	624	NUM
eurjchem-1920	144	1001	62.23	62.23	NUM
eurjchem-1920	144	1002	δcccring	δcccre	VERB
eurjchem-1920	144	1003	,	,	PUNCT
eurjchem-1920	144	1004	10	10	NUM
eurjchem-1920	144	1005	+	+	SYM
eurjchem-1920	144	1006	γc	γc	PROPN
eurjchem-1920	144	1007	,	,	PUNCT
eurjchem-1920	144	1008	25	25	NUM
eurjchem-1920	144	1009	+	+	NUM
eurjchem-1920	144	1010	νccl	νccl	NOUN
eurjchem-1920	144	1011	,	,	PUNCT
eurjchem-1920	144	1012	46	46	NUM
eurjchem-1920	144	1013	70	70	NUM
eurjchem-1920	144	1014	612	612	NUM
eurjchem-1920	144	1015	646	646	NUM
eurjchem-1920	144	1016	621	621	NUM
eurjchem-1920	144	1017	620	620	NUM
eurjchem-1920	144	1018	119.36	119.36	NUM
eurjchem-1920	144	1019	δcccring	δcccring	NOUN
eurjchem-1920	144	1020	,	,	PUNCT
eurjchem-1920	144	1021	11	11	NUM
eurjchem-1920	144	1022	+	+	CCONJ
eurjchem-1920	144	1023	γc	γc	PROPN
eurjchem-1920	144	1024	,	,	PUNCT
eurjchem-1920	144	1025	27	27	NUM
eurjchem-1920	144	1026	+	+	CCONJ
eurjchem-1920	144	1027	νccl	νccl	NOUN
eurjchem-1920	144	1028	,	,	PUNCT
eurjchem-1920	144	1029	40	40	NUM
eurjchem-1920	144	1030	71	71	NUM
eurjchem-1920	144	1031	591	591	NUM
eurjchem-1920	144	1032	622	622	NUM
eurjchem-1920	144	1033	598	598	NUM
eurjchem-1920	144	1034	596	596	NUM
eurjchem-1920	144	1035	26.63	26.63	NUM
eurjchem-1920	144	1036	δcccring	δcccring	NOUN
eurjchem-1920	144	1037	,	,	PUNCT
eurjchem-1920	144	1038	39	39	NUM
eurjchem-1920	144	1039	+	+	SYM
eurjchem-1920	144	1040	γc	γc	PROPN
eurjchem-1920	144	1041	,	,	PUNCT
eurjchem-1920	144	1042	21	21	NUM
eurjchem-1920	144	1043	72	72	NUM
eurjchem-1920	144	1044	571	571	NUM
eurjchem-1920	144	1045	599	599	NUM
eurjchem-1920	144	1046	576	576	NUM
eurjchem-1920	144	1047	574	574	NUM
eurjchem-1920	144	1048	41.29	41.29	NUM
eurjchem-1920	144	1049	δcccring	δcccring	NOUN
eurjchem-1920	144	1050	,	,	PUNCT
eurjchem-1920	144	1051	44	44	NUM
eurjchem-1920	144	1052	+	+	SYM
eurjchem-1920	144	1053	γc	γc	PROPN
eurjchem-1920	144	1054	,	,	PUNCT
eurjchem-1920	144	1055	22	22	NUM
eurjchem-1920	144	1056	73	73	NUM
eurjchem-1920	144	1057	559	559	NUM
eurjchem-1920	144	1058	583	583	NUM
eurjchem-1920	144	1059	560	560	NUM
eurjchem-1920	144	1060	559	559	NUM
eurjchem-1920	144	1061	9.81	9.81	NUM
eurjchem-1920	144	1062	δcccring	δcccring	NOUN
eurjchem-1920	144	1063	,	,	PUNCT
eurjchem-1920	144	1064	47	47	NUM
eurjchem-1920	144	1065	+	+	SYM
eurjchem-1920	144	1066	γc	γc	PROPN
eurjchem-1920	144	1067	,	,	PUNCT
eurjchem-1920	144	1068	26	26	NUM
eurjchem-1920	144	1069	74	74	NUM
eurjchem-1920	144	1070	559	559	NUM
eurjchem-1920	144	1071	538	538	NUM
eurjchem-1920	144	1072	536	536	NUM
eurjchem-1920	144	1073	6.49	6.49	NUM
eurjchem-1920	144	1074	γc	γc	PROPN
eurjchem-1920	144	1075	,	,	PUNCT
eurjchem-1920	144	1076	26	26	NUM
eurjchem-1920	144	1077	+	+	CCONJ
eurjchem-1920	144	1078	γnh	γnh	PROPN
eurjchem-1920	144	1079	,	,	PUNCT
eurjchem-1920	144	1080	37	37	NUM
eurjchem-1920	144	1081	+	+	CCONJ
eurjchem-1920	144	1082	δcccring	δcccring	NOUN
eurjchem-1920	144	1083	,	,	PUNCT
eurjchem-1920	144	1084	22	22	NUM
eurjchem-1920	144	1085	75	75	NUM
eurjchem-1920	144	1086	556	556	NUM
eurjchem-1920	144	1087	535	535	NUM
eurjchem-1920	144	1088	533	533	NUM
eurjchem-1920	144	1089	3.04	3.04	NUM
eurjchem-1920	144	1090	γc	γc	NOUN
eurjchem-1920	144	1091	,	,	PUNCT
eurjchem-1920	144	1092	33	33	NUM
eurjchem-1920	144	1093	+	+	NUM
eurjchem-1920	144	1094	γnh	γnh	PROPN
eurjchem-1920	144	1095	,	,	PUNCT
eurjchem-1920	144	1096	31	31	NUM
eurjchem-1920	144	1097	+	+	CCONJ
eurjchem-1920	144	1098	δcccring	δcccre	VERB
eurjchem-1920	144	1099	,	,	PUNCT
eurjchem-1920	144	1100	20	20	NUM
eurjchem-1920	144	1101	76	76	NUM
eurjchem-1920	144	1102	535	535	NUM
eurjchem-1920	144	1103	515	515	NUM
eurjchem-1920	144	1104	513	513	NUM
eurjchem-1920	144	1105	25.16	25.16	NUM
eurjchem-1920	144	1106	γc	γc	PROPN
eurjchem-1920	144	1107	,	,	PUNCT
eurjchem-1920	144	1108	30	30	NUM
eurjchem-1920	144	1109	+	+	CCONJ
eurjchem-1920	144	1110	γnh	γnh	PROPN
eurjchem-1920	144	1111	,	,	PUNCT
eurjchem-1920	144	1112	19	19	NUM
eurjchem-1920	144	1113	77	77	NUM
eurjchem-1920	144	1114	521	521	NUM
eurjchem-1920	144	1115	501	501	NUM
eurjchem-1920	144	1116	499	499	NUM
eurjchem-1920	144	1117	13.95	13.95	NUM
eurjchem-1920	144	1118	γc	γc	NOUN
eurjchem-1920	144	1119	,	,	PUNCT
eurjchem-1920	144	1120	21	21	NUM
eurjchem-1920	144	1121	+	+	CCONJ
eurjchem-1920	144	1122	γnh	γnh	PROPN
eurjchem-1920	144	1123	,	,	PUNCT
eurjchem-1920	144	1124	27	27	NUM
eurjchem-1920	144	1125	78	78	NUM
eurjchem-1920	144	1126	501	501	NUM
eurjchem-1920	144	1127	481	481	NUM
eurjchem-1920	144	1128	480	480	NUM
eurjchem-1920	144	1129	3.35	3.35	NUM
eurjchem-1920	144	1130	γc	γc	PROPN
eurjchem-1920	144	1131	,	,	PUNCT
eurjchem-1920	144	1132	29	29	NUM
eurjchem-1920	144	1133	+	+	CCONJ
eurjchem-1920	144	1134	τccring	τccre	VERB
eurjchem-1920	144	1135	,	,	PUNCT
eurjchem-1920	144	1136	43	43	NUM
eurjchem-1920	144	1137	2019	2019	NUM
eurjchem-1920	144	1138	–	–	PUNCT
eurjchem-1920	144	1139	european	european	ADJ
eurjchem-1920	144	1140	journal	journal	NOUN
eurjchem-1920	144	1141	of	of	ADP
eurjchem-1920	144	1142	chemistry	chemistry	NOUN
eurjchem-1920	144	1143	–	–	PUNCT
eurjchem-1920	144	1144	cc	cc	NOUN
eurjchem-1920	144	1145	by	by	ADP
eurjchem-1920	144	1146	nc	nc	PROPN
eurjchem-1920	144	1147	–	–	PUNCT
eurjchem-1920	144	1148	doi	doi	NOUN
eurjchem-1920	144	1149	:	:	PUNCT
eurjchem-1920	144	1150	10.5155	10.5155	NUM
eurjchem-1920	144	1151	/	/	SYM
eurjchem-1920	144	1152	eurjchem.10.4.323	eurjchem.10.4.323	NOUN
eurjchem-1920	144	1153	-	-	SYM
eurjchem-1920	144	1154	335.1920	335.1920	NUM
eurjchem-1920	144	1155	aydogdu	aydogdu	NOUN
eurjchem-1920	144	1156	et	et	PROPN
eurjchem-1920	144	1157	al	al	PROPN
eurjchem-1920	144	1158	.	.	PUNCT
eurjchem-1920	144	1159	/	/	SYM
eurjchem-1920	144	1160	european	european	PROPN
eurjchem-1920	144	1161	journal	journal	PROPN
eurjchem-1920	144	1162	of	of	ADP
eurjchem-1920	144	1163	chemistry	chemistry	NOUN
eurjchem-1920	144	1164	10	10	NUM
eurjchem-1920	144	1165	(	(	PUNCT
eurjchem-1920	144	1166	4	4	NUM
eurjchem-1920	144	1167	)	)	PUNCT
eurjchem-1920	144	1168	(	(	PUNCT
eurjchem-1920	144	1169	2019	2019	NUM
eurjchem-1920	144	1170	)	)	PUNCT
eurjchem-1920	144	1171	323	323	NUM
eurjchem-1920	144	1172	-	-	SYM
eurjchem-1920	144	1173	335	335	NUM
eurjchem-1920	144	1174	329	329	NUM
eurjchem-1920	144	1175	table	table	NOUN
eurjchem-1920	144	1176	2	2	NUM
eurjchem-1920	144	1177	.	.	PUNCT
eurjchem-1920	144	1178	continued	continue	VERB
eurjchem-1920	144	1179	.	.	PUNCT
eurjchem-1920	145	1	no	no	DET
eurjchem-1920	145	2	exp	exp	NOUN
eurjchem-1920	145	3	.	.	PUNCT
eurjchem-1920	146	1	ir	ir	PROPN
eurjchem-1920	146	2	(	(	PUNCT
eurjchem-1920	146	3	cm-1	cm-1	PROPN
eurjchem-1920	146	4	)	)	PUNCT
eurjchem-1920	146	5	b3lyp	b3lyp	NUM
eurjchem-1920	146	6	assignments	assignment	NOUN
eurjchem-1920	146	7	,	,	PUNCT
eurjchem-1920	146	8	ped	ped	NOUN
eurjchem-1920	146	9	(	(	PUNCT
eurjchem-1920	146	10	%	%	INTJ
eurjchem-1920	146	11	)	)	PUNCT
eurjchem-1920	146	12	unscaled	unscaled	ADJ
eurjchem-1920	146	13	(	(	PUNCT
eurjchem-1920	146	14	cm-1	cm-1	NOUN
eurjchem-1920	146	15	)	)	PUNCT
eurjchem-1920	146	16	scaled	scale	VERB
eurjchem-1920	146	17	(	(	PUNCT
eurjchem-1920	146	18	cm-1	cm-1	NOUN
eurjchem-1920	146	19	)	)	PUNCT
eurjchem-1920	146	20	scaled	scale	VERB
eurjchem-1920	146	21	(	(	PUNCT
eurjchem-1920	146	22	cm-1	cm-1	PROPN
eurjchem-1920	146	23	)	)	PUNCT
eurjchem-1920	146	24	ir	ir	PROPN
eurjchem-1920	146	25	int	int	NOUN
eurjchem-1920	146	26	.	.	PUNCT
eurjchem-1920	147	1	(	(	PUNCT
eurjchem-1920	147	2	km	km	NOUN
eurjchem-1920	147	3	/	/	SYM
eurjchem-1920	147	4	mol	mol	NOUN
eurjchem-1920	147	5	)	)	PUNCT
eurjchem-1920	147	6	79	79	NUM
eurjchem-1920	147	7	484	484	NUM
eurjchem-1920	147	8	465	465	NUM
eurjchem-1920	147	9	464	464	NUM
eurjchem-1920	147	10	7.61	7.61	NUM
eurjchem-1920	147	11	τccring	τccring	NOUN
eurjchem-1920	147	12	,	,	PUNCT
eurjchem-1920	147	13	48	48	NUM
eurjchem-1920	147	14	+	+	CCONJ
eurjchem-1920	147	15	γnh	γnh	PROPN
eurjchem-1920	147	16	,	,	PUNCT
eurjchem-1920	147	17	12	12	NUM
eurjchem-1920	147	18	80	80	NUM
eurjchem-1920	147	19	470	470	NUM
eurjchem-1920	147	20	452	452	NUM
eurjchem-1920	147	21	450	450	NUM
eurjchem-1920	147	22	6.14	6.14	NUM
eurjchem-1920	147	23	δccn	δccn	NOUN
eurjchem-1920	147	24	,	,	PUNCT
eurjchem-1920	147	25	40	40	NUM
eurjchem-1920	147	26	+	+	SYM
eurjchem-1920	147	27	γc	γc	PROPN
eurjchem-1920	147	28	,	,	PUNCT
eurjchem-1920	147	29	36	36	NUM
eurjchem-1920	147	30	81	81	NUM
eurjchem-1920	147	31	444	444	NUM
eurjchem-1920	147	32	427	427	NUM
eurjchem-1920	147	33	426	426	NUM
eurjchem-1920	147	34	5.72	5.72	NUM
eurjchem-1920	147	35	γnh	γnh	NOUN
eurjchem-1920	147	36	,	,	PUNCT
eurjchem-1920	147	37	25	25	NUM
eurjchem-1920	147	38	+	+	CCONJ
eurjchem-1920	147	39	δccn	δccn	PROPN
eurjchem-1920	147	40	,	,	PUNCT
eurjchem-1920	147	41	30	30	NUM
eurjchem-1920	147	42	82	82	NUM
eurjchem-1920	147	43	429	429	NUM
eurjchem-1920	147	44	412	412	NUM
eurjchem-1920	147	45	411	411	NUM
eurjchem-1920	147	46	0.85	0.85	NUM
eurjchem-1920	147	47	νcclsym	νcclsym	NOUN
eurjchem-1920	147	48	,	,	PUNCT
eurjchem-1920	147	49	54	54	NUM
eurjchem-1920	147	50	+	+	CCONJ
eurjchem-1920	147	51	δcnc	δcnc	VERB
eurjchem-1920	147	52	,	,	PUNCT
eurjchem-1920	147	53	32	32	NUM
eurjchem-1920	147	54	83	83	NUM
eurjchem-1920	147	55	422	422	NUM
eurjchem-1920	147	56	406	406	NUM
eurjchem-1920	147	57	405	405	NUM
eurjchem-1920	147	58	6.22	6.22	NUM
eurjchem-1920	147	59	δcco	δcco	NOUN
eurjchem-1920	147	60	,	,	PUNCT
eurjchem-1920	147	61	28	28	NUM
eurjchem-1920	147	62	+	+	CCONJ
eurjchem-1920	147	63	νcclsym	νcclsym	NOUN
eurjchem-1920	147	64	,	,	PUNCT
eurjchem-1920	147	65	21	21	NUM
eurjchem-1920	147	66	+	+	CCONJ
eurjchem-1920	147	67	δccn	δccn	PROPN
eurjchem-1920	147	68	,	,	PUNCT
eurjchem-1920	147	69	12	12	NUM
eurjchem-1920	147	70	84	84	NUM
eurjchem-1920	147	71	416	416	NUM
eurjchem-1920	147	72	400	400	NUM
eurjchem-1920	147	73	399	399	NUM
eurjchem-1920	147	74	3.59	3.59	NUM
eurjchem-1920	147	75	δnco	δnco	NOUN
eurjchem-1920	147	76	,	,	PUNCT
eurjchem-1920	147	77	23	23	NUM
eurjchem-1920	147	78	+	+	NUM
eurjchem-1920	147	79	νcclsym	νcclsym	NOUN
eurjchem-1920	147	80	,	,	PUNCT
eurjchem-1920	147	81	27	27	NUM
eurjchem-1920	147	82	+	+	CCONJ
eurjchem-1920	147	83	δccn	δccn	NOUN
eurjchem-1920	147	84	,	,	PUNCT
eurjchem-1920	147	85	20	20	NUM
eurjchem-1920	147	86	85	85	NUM
eurjchem-1920	147	87	377	377	NUM
eurjchem-1920	147	88	362	362	NUM
eurjchem-1920	147	89	361	361	NUM
eurjchem-1920	147	90	0.95	0.95	NUM
eurjchem-1920	147	91	δclccl	δclccl	NOUN
eurjchem-1920	147	92	,	,	PUNCT
eurjchem-1920	147	93	35	35	NUM
eurjchem-1920	147	94	+	+	CCONJ
eurjchem-1920	147	95	δcccring	δcccring	NOUN
eurjchem-1920	147	96	,	,	PUNCT
eurjchem-1920	147	97	20	20	NUM
eurjchem-1920	147	98	+	+	CCONJ
eurjchem-1920	147	99	νccl	νccl	NOUN
eurjchem-1920	147	100	,	,	PUNCT
eurjchem-1920	147	101	17	17	NUM
eurjchem-1920	147	102	86	86	NUM
eurjchem-1920	147	103	369	369	NUM
eurjchem-1920	147	104	355	355	NUM
eurjchem-1920	147	105	354	354	NUM
eurjchem-1920	147	106	2.15	2.15	NUM
eurjchem-1920	147	107	δclccl	δclccl	NOUN
eurjchem-1920	147	108	,	,	PUNCT
eurjchem-1920	147	109	40	40	NUM
eurjchem-1920	147	110	+	+	CCONJ
eurjchem-1920	147	111	δcccring	δcccre	VERB
eurjchem-1920	147	112	,	,	PUNCT
eurjchem-1920	147	113	22	22	NUM
eurjchem-1920	147	114	+	+	CCONJ
eurjchem-1920	147	115	νccl	νccl	NOUN
eurjchem-1920	147	116	,	,	PUNCT
eurjchem-1920	147	117	26	26	NUM
eurjchem-1920	147	118	87	87	NUM
eurjchem-1920	147	119	359	359	NUM
eurjchem-1920	147	120	345	345	NUM
eurjchem-1920	147	121	344	344	NUM
eurjchem-1920	147	122	1.01	1.01	NUM
eurjchem-1920	147	123	δclccl	δclccl	NOUN
eurjchem-1920	147	124	,	,	PUNCT
eurjchem-1920	147	125	40	40	NUM
eurjchem-1920	147	126	+	+	CCONJ
eurjchem-1920	147	127	δcccring	δcccre	VERB
eurjchem-1920	147	128	,	,	PUNCT
eurjchem-1920	147	129	22	22	NUM
eurjchem-1920	147	130	88	88	NUM
eurjchem-1920	147	131	345	345	NUM
eurjchem-1920	147	132	331	331	NUM
eurjchem-1920	147	133	331	331	NUM
eurjchem-1920	147	134	0.25	0.25	NUM
eurjchem-1920	147	135	γcring	γcre	VERB
eurjchem-1920	147	136	,	,	PUNCT
eurjchem-1920	147	137	41	41	NUM
eurjchem-1920	147	138	+	+	CCONJ
eurjchem-1920	147	139	τcc	τcc	ADV
eurjchem-1920	147	140	,	,	PUNCT
eurjchem-1920	147	141	40	40	NUM
eurjchem-1920	147	142	89	89	NUM
eurjchem-1920	147	143	336	336	NUM
eurjchem-1920	147	144	323	323	NUM
eurjchem-1920	147	145	322	322	NUM
eurjchem-1920	147	146	3.45	3.45	NUM
eurjchem-1920	147	147	δcccring	δcccring	NOUN
eurjchem-1920	147	148	,	,	PUNCT
eurjchem-1920	147	149	14	14	NUM
eurjchem-1920	147	150	+	+	CCONJ
eurjchem-1920	147	151	τcc	τcc	ADJ
eurjchem-1920	147	152	,	,	PUNCT
eurjchem-1920	147	153	12	12	NUM
eurjchem-1920	147	154	+	+	CCONJ
eurjchem-1920	147	155	δocc	δocc	ADJ
eurjchem-1920	147	156	,	,	PUNCT
eurjchem-1920	147	157	21	21	NUM
eurjchem-1920	147	158	90	90	NUM
eurjchem-1920	147	159	315	315	NUM
eurjchem-1920	147	160	302	302	NUM
eurjchem-1920	147	161	302	302	NUM
eurjchem-1920	147	162	3.46	3.46	NUM
eurjchem-1920	147	163	γcring	γcre	VERB
eurjchem-1920	147	164	,	,	PUNCT
eurjchem-1920	147	165	26	26	NUM
eurjchem-1920	147	166	+	+	CCONJ
eurjchem-1920	147	167	γcn	γcn	PROPN
eurjchem-1920	147	168	,	,	PUNCT
eurjchem-1920	147	169	25	25	NUM
eurjchem-1920	147	170	+	+	CCONJ
eurjchem-1920	147	171	τcc	τcc	ADJ
eurjchem-1920	147	172	,	,	PUNCT
eurjchem-1920	147	173	20	20	NUM
eurjchem-1920	147	174	91	91	NUM
eurjchem-1920	147	175	304	304	NUM
eurjchem-1920	147	176	293	293	NUM
eurjchem-1920	147	177	292	292	NUM
eurjchem-1920	147	178	2.18	2.18	NUM
eurjchem-1920	147	179	τcc	τcc	NOUN
eurjchem-1920	147	180	,	,	PUNCT
eurjchem-1920	147	181	22	22	NUM
eurjchem-1920	147	182	+	+	CCONJ
eurjchem-1920	147	183	γcn	γcn	NOUN
eurjchem-1920	147	184	,	,	PUNCT
eurjchem-1920	147	185	20	20	NUM
eurjchem-1920	147	186	+	+	SYM
eurjchem-1920	147	187	γc	γc	PROPN
eurjchem-1920	147	188	,	,	PUNCT
eurjchem-1920	147	189	15	15	NUM
eurjchem-1920	147	190	+	+	CCONJ
eurjchem-1920	147	191	δclcclscis	δclcclscis	NOUN
eurjchem-1920	147	192	,	,	PUNCT
eurjchem-1920	147	193	32	32	NUM
eurjchem-1920	147	194	92	92	NUM
eurjchem-1920	147	195	295	295	NUM
eurjchem-1920	147	196	284	284	NUM
eurjchem-1920	147	197	283	283	NUM
eurjchem-1920	147	198	1.73	1.73	NUM
eurjchem-1920	147	199	δccclscis	δccclscis	NOUN
eurjchem-1920	147	200	,	,	PUNCT
eurjchem-1920	147	201	36	36	NUM
eurjchem-1920	147	202	+	+	CCONJ
eurjchem-1920	147	203	δnco	δnco	PROPN
eurjchem-1920	147	204	,	,	PUNCT
eurjchem-1920	147	205	19	19	NUM
eurjchem-1920	147	206	93	93	NUM
eurjchem-1920	147	207	288	288	NUM
eurjchem-1920	147	208	277	277	NUM
eurjchem-1920	147	209	276	276	NUM
eurjchem-1920	147	210	0.79	0.79	NUM
eurjchem-1920	147	211	δclcclscis	δclcclscis	NOUN
eurjchem-1920	147	212	,	,	PUNCT
eurjchem-1920	147	213	31	31	NUM
eurjchem-1920	147	214	+	+	CCONJ
eurjchem-1920	147	215	τcc	τcc	ADV
eurjchem-1920	147	216	,	,	PUNCT
eurjchem-1920	147	217	29	29	NUM
eurjchem-1920	147	218	94	94	NUM
eurjchem-1920	147	219	283	283	NUM
eurjchem-1920	147	220	272	272	NUM
eurjchem-1920	147	221	272	272	NUM
eurjchem-1920	147	222	0.99	0.99	NUM
eurjchem-1920	147	223	τcc	τcc	NOUN
eurjchem-1920	147	224	,	,	PUNCT
eurjchem-1920	147	225	22	22	NUM
eurjchem-1920	147	226	+	+	CCONJ
eurjchem-1920	147	227	δclccl	δclccl	ADJ
eurjchem-1920	147	228	,	,	PUNCT
eurjchem-1920	147	229	38	38	NUM
eurjchem-1920	147	230	95	95	NUM
eurjchem-1920	147	231	280	280	NUM
eurjchem-1920	147	232	269	269	NUM
eurjchem-1920	147	233	269	269	NUM
eurjchem-1920	147	234	0.58	0.58	NUM
eurjchem-1920	147	235	γc	γc	PROPN
eurjchem-1920	147	236	,	,	PUNCT
eurjchem-1920	147	237	26	26	NUM
eurjchem-1920	147	238	+	+	CCONJ
eurjchem-1920	147	239	δclcclscis	δclcclscis	NOUN
eurjchem-1920	147	240	,	,	PUNCT
eurjchem-1920	147	241	39	39	NUM
eurjchem-1920	147	242	96	96	NUM
eurjchem-1920	147	243	267	267	NUM
eurjchem-1920	147	244	256	256	NUM
eurjchem-1920	147	245	256	256	NUM
eurjchem-1920	147	246	0.57	0.57	NUM
eurjchem-1920	147	247	γnh	γnh	NOUN
eurjchem-1920	147	248	,	,	PUNCT
eurjchem-1920	147	249	31	31	NUM
eurjchem-1920	147	250	+	+	CCONJ
eurjchem-1920	147	251	δccclscis	δccclscis	NOUN
eurjchem-1920	147	252	,	,	PUNCT
eurjchem-1920	147	253	40	40	NUM
eurjchem-1920	147	254	τcc	τcc	NOUN
eurjchem-1920	147	255	,	,	PUNCT
eurjchem-1920	147	256	18	18	NUM
eurjchem-1920	147	257	97	97	NUM
eurjchem-1920	147	258	259	259	NUM
eurjchem-1920	147	259	249	249	NUM
eurjchem-1920	147	260	248	248	NUM
eurjchem-1920	147	261	3.13	3.13	NUM
eurjchem-1920	147	262	γnh	γnh	NOUN
eurjchem-1920	147	263	,	,	PUNCT
eurjchem-1920	147	264	27	27	NUM
eurjchem-1920	147	265	+	+	CCONJ
eurjchem-1920	147	266	δccclscis	δccclscis	NOUN
eurjchem-1920	147	267	,	,	PUNCT
eurjchem-1920	147	268	42	42	NUM
eurjchem-1920	147	269	98	98	NUM
eurjchem-1920	147	270	239	239	NUM
eurjchem-1920	147	271	230	230	NUM
eurjchem-1920	147	272	229	229	NUM
eurjchem-1920	147	273	1.18	1.18	NUM
eurjchem-1920	147	274	δccclscis	δccclscis	NOUN
eurjchem-1920	147	275	,	,	PUNCT
eurjchem-1920	147	276	44	44	NUM
eurjchem-1920	147	277	+	+	NUM
eurjchem-1920	147	278	τnc	τnc	NOUN
eurjchem-1920	147	279	,	,	PUNCT
eurjchem-1920	147	280	22	22	NUM
eurjchem-1920	147	281	+	+	SYM
eurjchem-1920	147	282	γc	γc	PROPN
eurjchem-1920	147	283	,	,	PUNCT
eurjchem-1920	147	284	28	28	NUM
eurjchem-1920	147	285	99	99	NUM
eurjchem-1920	147	286	230	230	NUM
eurjchem-1920	147	287	221	221	NUM
eurjchem-1920	147	288	220	220	NUM
eurjchem-1920	147	289	0.35	0.35	NUM
eurjchem-1920	147	290	δcccl	δcccl	NOUN
eurjchem-1920	147	291	,	,	PUNCT
eurjchem-1920	147	292	33	33	NUM
eurjchem-1920	147	293	+	+	NUM
eurjchem-1920	147	294	τnc	τnc	NOUN
eurjchem-1920	147	295	,	,	PUNCT
eurjchem-1920	147	296	16	16	NUM
eurjchem-1920	147	297	+	+	SYM
eurjchem-1920	147	298	γc	γc	PROPN
eurjchem-1920	147	299	,	,	PUNCT
eurjchem-1920	147	300	22	22	NUM
eurjchem-1920	147	301	100	100	NUM
eurjchem-1920	147	302	221	221	NUM
eurjchem-1920	147	303	213	213	NUM
eurjchem-1920	147	304	212	212	NUM
eurjchem-1920	147	305	0.23	0.23	NUM
eurjchem-1920	147	306	δcccl	δcccl	NOUN
eurjchem-1920	147	307	,	,	PUNCT
eurjchem-1920	147	308	40	40	NUM
eurjchem-1920	147	309	+	+	NUM
eurjchem-1920	147	310	τnc	τnc	NOUN
eurjchem-1920	147	311	,	,	PUNCT
eurjchem-1920	147	312	16	16	NUM
eurjchem-1920	147	313	101	101	NUM
eurjchem-1920	147	314	203	203	NUM
eurjchem-1920	147	315	195	195	NUM
eurjchem-1920	147	316	194	194	NUM
eurjchem-1920	147	317	0.20	0.20	NUM
eurjchem-1920	147	318	δcccltwist	δcccltwist	NOUN
eurjchem-1920	147	319	,	,	PUNCT
eurjchem-1920	147	320	29	29	NUM
eurjchem-1920	147	321	+	+	NUM
eurjchem-1920	147	322	τnc	τnc	NOUN
eurjchem-1920	147	323	,	,	PUNCT
eurjchem-1920	147	324	18	18	NUM
eurjchem-1920	147	325	102	102	NUM
eurjchem-1920	147	326	197	197	NUM
eurjchem-1920	147	327	190	190	NUM
eurjchem-1920	147	328	189	189	NUM
eurjchem-1920	147	329	2.35	2.35	NUM
eurjchem-1920	147	330	τcc	τcc	NOUN
eurjchem-1920	147	331	,	,	PUNCT
eurjchem-1920	147	332	32	32	NUM
eurjchem-1920	147	333	103	103	NUM
eurjchem-1920	147	334	187	187	NUM
eurjchem-1920	147	335	180	180	NUM
eurjchem-1920	147	336	180	180	NUM
eurjchem-1920	147	337	7.45	7.45	NUM
eurjchem-1920	147	338	τcccl	τcccl	NOUN
eurjchem-1920	147	339	,	,	PUNCT
eurjchem-1920	147	340	32	32	NUM
eurjchem-1920	147	341	104	104	NUM
eurjchem-1920	147	342	167	167	NUM
eurjchem-1920	147	343	161	161	NUM
eurjchem-1920	147	344	160	160	NUM
eurjchem-1920	147	345	1.52	1.52	NUM
eurjchem-1920	147	346	δnccring	δnccre	VERB
eurjchem-1920	147	347	,	,	PUNCT
eurjchem-1920	147	348	41	41	NUM
eurjchem-1920	147	349	+	+	NUM
eurjchem-1920	147	350	τnc	τnc	NOUN
eurjchem-1920	147	351	,	,	PUNCT
eurjchem-1920	147	352	19	19	NUM
eurjchem-1920	147	353	+	+	NUM
eurjchem-1920	147	354	δcccltwist	δcccltwist	NOUN
eurjchem-1920	147	355	,	,	PUNCT
eurjchem-1920	147	356	20	20	NUM
eurjchem-1920	147	357	105	105	NUM
eurjchem-1920	147	358	166	166	NUM
eurjchem-1920	147	359	159	159	NUM
eurjchem-1920	147	360	159	159	NUM
eurjchem-1920	147	361	0.47	0.47	NUM
eurjchem-1920	147	362	τnc	τnc	NOUN
eurjchem-1920	147	363	,	,	PUNCT
eurjchem-1920	147	364	18	18	NUM
eurjchem-1920	147	365	+	+	CCONJ
eurjchem-1920	147	366	τcccl	τcccl	ADJ
eurjchem-1920	147	367	,	,	PUNCT
eurjchem-1920	147	368	10	10	NUM
eurjchem-1920	147	369	+	+	CCONJ
eurjchem-1920	147	370	δcnc	δcnc	VERB
eurjchem-1920	147	371	,	,	PUNCT
eurjchem-1920	147	372	12	12	NUM
eurjchem-1920	147	373	+	+	CCONJ
eurjchem-1920	147	374	δcccltwist	δcccltwist	NOUN
eurjchem-1920	147	375	,	,	PUNCT
eurjchem-1920	147	376	12	12	NUM
eurjchem-1920	147	377	106	106	NUM
eurjchem-1920	147	378	157	157	NUM
eurjchem-1920	147	379	151	151	NUM
eurjchem-1920	147	380	150	150	NUM
eurjchem-1920	147	381	2.73	2.73	NUM
eurjchem-1920	147	382	τncring	τncring	ADJ
eurjchem-1920	147	383	,	,	PUNCT
eurjchem-1920	147	384	15	15	NUM
eurjchem-1920	147	385	+	+	CCONJ
eurjchem-1920	147	386	τcccl	τcccl	ADJ
eurjchem-1920	147	387	,	,	PUNCT
eurjchem-1920	147	388	15	15	NUM
eurjchem-1920	147	389	+	+	CCONJ
eurjchem-1920	147	390	δcnc	δcnc	VERB
eurjchem-1920	147	391	,	,	PUNCT
eurjchem-1920	147	392	14	14	NUM
eurjchem-1920	147	393	107	107	NUM
eurjchem-1920	147	394	142	142	NUM
eurjchem-1920	147	395	137	137	NUM
eurjchem-1920	147	396	136	136	NUM
eurjchem-1920	147	397	1.34	1.34	NUM
eurjchem-1920	147	398	τncring	τncring	ADJ
eurjchem-1920	147	399	,	,	PUNCT
eurjchem-1920	147	400	26	26	NUM
eurjchem-1920	147	401	+	+	CCONJ
eurjchem-1920	147	402	τcccl	τcccl	ADJ
eurjchem-1920	147	403	,	,	PUNCT
eurjchem-1920	147	404	11	11	NUM
eurjchem-1920	147	405	+	+	CCONJ
eurjchem-1920	147	406	δcnc	δcnc	VERB
eurjchem-1920	147	407	,	,	PUNCT
eurjchem-1920	147	408	10	10	NUM
eurjchem-1920	147	409	108	108	NUM
eurjchem-1920	147	410	141	141	NUM
eurjchem-1920	147	411	136	136	NUM
eurjchem-1920	147	412	136	136	NUM
eurjchem-1920	147	413	2.38	2.38	NUM
eurjchem-1920	147	414	τncring	τncre	VERB
eurjchem-1920	147	415	,	,	PUNCT
eurjchem-1920	147	416	26	26	NUM
eurjchem-1920	147	417	+	+	CCONJ
eurjchem-1920	147	418	τcn	τcn	PROPN
eurjchem-1920	147	419	,	,	PUNCT
eurjchem-1920	147	420	15	15	NUM
eurjchem-1920	147	421	+	+	CCONJ
eurjchem-1920	147	422	δcnc	δcnc	VERB
eurjchem-1920	147	423	,	,	PUNCT
eurjchem-1920	147	424	13	13	NUM
eurjchem-1920	147	425	109	109	NUM
eurjchem-1920	147	426	130	130	NUM
eurjchem-1920	147	427	125	125	NUM
eurjchem-1920	147	428	125	125	NUM
eurjchem-1920	147	429	4.47	4.47	NUM
eurjchem-1920	147	430	τncring	τncre	VERB
eurjchem-1920	147	431	,	,	PUNCT
eurjchem-1920	147	432	47	47	NUM
eurjchem-1920	147	433	+	+	CCONJ
eurjchem-1920	147	434	τcn	τcn	PROPN
eurjchem-1920	147	435	,	,	PUNCT
eurjchem-1920	147	436	13	13	NUM
eurjchem-1920	147	437	+	+	NUM
eurjchem-1920	147	438	δccclwagg	δccclwagg	NOUN
eurjchem-1920	147	439	,	,	PUNCT
eurjchem-1920	147	440	12	12	NUM
eurjchem-1920	147	441	110	110	NUM
eurjchem-1920	147	442	100	100	NUM
eurjchem-1920	147	443	96	96	NUM
eurjchem-1920	147	444	96	96	NUM
eurjchem-1920	147	445	0.92	0.92	NUM
eurjchem-1920	147	446	τncring	τncring	ADJ
eurjchem-1920	147	447	,	,	PUNCT
eurjchem-1920	147	448	24	24	NUM
eurjchem-1920	147	449	+	+	CCONJ
eurjchem-1920	147	450	τcn	τcn	PROPN
eurjchem-1920	147	451	,	,	PUNCT
eurjchem-1920	147	452	32	32	NUM
eurjchem-1920	147	453	111	111	NUM
eurjchem-1920	147	454	96	96	NUM
eurjchem-1920	147	455	92	92	NUM
eurjchem-1920	147	456	92	92	NUM
eurjchem-1920	147	457	1.36	1.36	NUM
eurjchem-1920	147	458	τcn	τcn	PROPN
eurjchem-1920	147	459	,	,	PUNCT
eurjchem-1920	147	460	30	30	NUM
eurjchem-1920	147	461	+	+	CCONJ
eurjchem-1920	147	462	δcnc	δcnc	VERB
eurjchem-1920	147	463	,	,	PUNCT
eurjchem-1920	147	464	15	15	NUM
eurjchem-1920	147	465	+	+	NUM
eurjchem-1920	147	466	δccclwagg	δccclwagg	NOUN
eurjchem-1920	147	467	,	,	PUNCT
eurjchem-1920	147	468	12	12	NUM
eurjchem-1920	147	469	112	112	NUM
eurjchem-1920	147	470	91	91	NUM
eurjchem-1920	147	471	88	88	NUM
eurjchem-1920	147	472	88	88	NUM
eurjchem-1920	147	473	0.81	0.81	NUM
eurjchem-1920	147	474	τcn	τcn	PROPN
eurjchem-1920	147	475	,	,	PUNCT
eurjchem-1920	147	476	28	28	NUM
eurjchem-1920	147	477	+	+	CCONJ
eurjchem-1920	147	478	δcnc	δcnc	VERB
eurjchem-1920	147	479	,	,	PUNCT
eurjchem-1920	147	480	12	12	NUM
eurjchem-1920	147	481	113	113	NUM
eurjchem-1920	147	482	80	80	NUM
eurjchem-1920	147	483	77	77	NUM
eurjchem-1920	147	484	77	77	NUM
eurjchem-1920	147	485	1.23	1.23	NUM
eurjchem-1920	147	486	τcn	τcn	PROPN
eurjchem-1920	147	487	,	,	PUNCT
eurjchem-1920	147	488	44	44	NUM
eurjchem-1920	147	489	+	+	CCONJ
eurjchem-1920	147	490	τcc	τcc	ADJ
eurjchem-1920	147	491	,	,	PUNCT
eurjchem-1920	147	492	10	10	NUM
eurjchem-1920	147	493	+	+	CCONJ
eurjchem-1920	147	494	τcccl	τcccl	ADJ
eurjchem-1920	147	495	,	,	PUNCT
eurjchem-1920	147	496	11	11	NUM
eurjchem-1920	147	497	+	+	CCONJ
eurjchem-1920	147	498	δcnc	δcnc	VERB
eurjchem-1920	147	499	,	,	PUNCT
eurjchem-1920	147	500	15	15	NUM
eurjchem-1920	147	501	114	114	NUM
eurjchem-1920	147	502	69	69	NUM
eurjchem-1920	147	503	67	67	NUM
eurjchem-1920	147	504	66	66	NUM
eurjchem-1920	147	505	0.23	0.23	NUM
eurjchem-1920	147	506	τcc	τcc	NOUN
eurjchem-1920	147	507	,	,	PUNCT
eurjchem-1920	147	508	35	35	NUM
eurjchem-1920	147	509	+	+	CCONJ
eurjchem-1920	147	510	δcnc	δcnc	VERB
eurjchem-1920	147	511	,	,	PUNCT
eurjchem-1920	147	512	15	15	NUM
eurjchem-1920	147	513	115	115	NUM
eurjchem-1920	147	514	47	47	NUM
eurjchem-1920	147	515	46	46	NUM
eurjchem-1920	147	516	45	45	NUM
eurjchem-1920	147	517	0.28	0.28	NUM
eurjchem-1920	147	518	τcn	τcn	PROPN
eurjchem-1920	147	519	,	,	PUNCT
eurjchem-1920	147	520	44	44	NUM
eurjchem-1920	147	521	+	+	CCONJ
eurjchem-1920	147	522	τcc	τcc	ADJ
eurjchem-1920	147	523	,	,	PUNCT
eurjchem-1920	147	524	10	10	NUM
eurjchem-1920	147	525	+	+	CCONJ
eurjchem-1920	147	526	τcccl	τcccl	ADJ
eurjchem-1920	147	527	,	,	PUNCT
eurjchem-1920	147	528	11	11	NUM
eurjchem-1920	147	529	116	116	NUM
eurjchem-1920	147	530	47	47	NUM
eurjchem-1920	147	531	45	45	NUM
eurjchem-1920	147	532	45	45	NUM
eurjchem-1920	147	533	0.43	0.43	NUM
eurjchem-1920	147	534	τcn	τcn	PROPN
eurjchem-1920	147	535	,	,	PUNCT
eurjchem-1920	147	536	11	11	NUM
eurjchem-1920	147	537	+	+	CCONJ
eurjchem-1920	147	538	τcc	τcc	ADJ
eurjchem-1920	147	539	,	,	PUNCT
eurjchem-1920	147	540	40	40	NUM
eurjchem-1920	147	541	117	117	NUM
eurjchem-1920	147	542	45	45	NUM
eurjchem-1920	147	543	43	43	NUM
eurjchem-1920	147	544	43	43	NUM
eurjchem-1920	147	545	0.45	0.45	NUM
eurjchem-1920	147	546	τcn	τcn	PROPN
eurjchem-1920	147	547	,	,	PUNCT
eurjchem-1920	147	548	51	51	NUM
eurjchem-1920	147	549	118	118	NUM
eurjchem-1920	147	550	42	42	NUM
eurjchem-1920	147	551	40	40	NUM
eurjchem-1920	147	552	40	40	NUM
eurjchem-1920	147	553	0.27	0.27	NUM
eurjchem-1920	147	554	τncring	τncring	ADJ
eurjchem-1920	147	555	,	,	PUNCT
eurjchem-1920	147	556	56	56	NUM
eurjchem-1920	147	557	+	+	NUM
eurjchem-1920	147	558	δccclrock	δccclrock	NOUN
eurjchem-1920	147	559	,	,	PUNCT
eurjchem-1920	147	560	12	12	NUM
eurjchem-1920	147	561	119	119	NUM
eurjchem-1920	147	562	35	35	NUM
eurjchem-1920	147	563	33	33	NUM
eurjchem-1920	147	564	33	33	NUM
eurjchem-1920	147	565	0.49	0.49	NUM
eurjchem-1920	147	566	τcn	τcn	PROPN
eurjchem-1920	147	567	,	,	PUNCT
eurjchem-1920	147	568	28	28	NUM
eurjchem-1920	147	569	+	+	CCONJ
eurjchem-1920	147	570	τcc	τcc	ADV
eurjchem-1920	147	571	,	,	PUNCT
eurjchem-1920	147	572	38	38	NUM
eurjchem-1920	147	573	120	120	NUM
eurjchem-1920	147	574	31	31	NUM
eurjchem-1920	147	575	30	30	NUM
eurjchem-1920	147	576	30	30	NUM
eurjchem-1920	147	577	0.35	0.35	NUM
eurjchem-1920	147	578	τcc	τcc	NOUN
eurjchem-1920	147	579	,	,	PUNCT
eurjchem-1920	147	580	39	39	NUM
eurjchem-1920	147	581	+	+	CCONJ
eurjchem-1920	147	582	τncring	τncring	ADJ
eurjchem-1920	147	583	,	,	PUNCT
eurjchem-1920	147	584	37	37	NUM
eurjchem-1920	147	585	+	+	NUM
eurjchem-1920	147	586	δccclrock	δccclrock	NOUN
eurjchem-1920	147	587	,	,	PUNCT
eurjchem-1920	147	588	13	13	NUM
eurjchem-1920	147	589	121	121	NUM
eurjchem-1920	147	590	28	28	NUM
eurjchem-1920	147	591	27	27	NUM
eurjchem-1920	147	592	27	27	NUM
eurjchem-1920	147	593	0.45	0.45	NUM
eurjchem-1920	147	594	τcn	τcn	PROPN
eurjchem-1920	147	595	,	,	PUNCT
eurjchem-1920	147	596	40	40	NUM
eurjchem-1920	147	597	+	+	CCONJ
eurjchem-1920	147	598	τcc	τcc	ADJ
eurjchem-1920	147	599	,	,	PUNCT
eurjchem-1920	147	600	25	25	NUM
eurjchem-1920	147	601	+	+	NUM
eurjchem-1920	147	602	δccclrock	δccclrock	NOUN
eurjchem-1920	147	603	,	,	PUNCT
eurjchem-1920	147	604	15	15	NUM
eurjchem-1920	147	605	122	122	NUM
eurjchem-1920	147	606	19	19	NUM
eurjchem-1920	147	607	18	18	NUM
eurjchem-1920	147	608	18	18	NUM
eurjchem-1920	147	609	0.03	0.03	NUM
eurjchem-1920	147	610	τcn	τcn	PROPN
eurjchem-1920	147	611	,	,	PUNCT
eurjchem-1920	147	612	41	41	NUM
eurjchem-1920	147	613	+	+	CCONJ
eurjchem-1920	147	614	τcc	τcc	ADV
eurjchem-1920	147	615	,	,	PUNCT
eurjchem-1920	147	616	37	37	NUM
eurjchem-1920	147	617	+	+	NUM
eurjchem-1920	147	618	δccclrock	δccclrock	NOUN
eurjchem-1920	147	619	,	,	PUNCT
eurjchem-1920	147	620	16	16	NUM
eurjchem-1920	147	621	123	123	NUM
eurjchem-1920	147	622	15	15	NUM
eurjchem-1920	147	623	14	14	NUM
eurjchem-1920	147	624	14	14	NUM
eurjchem-1920	147	625	0.38	0.38	NUM
eurjchem-1920	147	626	τcn	τcn	PROPN
eurjchem-1920	147	627	,	,	PUNCT
eurjchem-1920	147	628	43	43	NUM
eurjchem-1920	147	629	r	r	NOUN
eurjchem-1920	147	630	0.9998	0.9998	NUM
eurjchem-1920	147	631	0.9998	0.9998	NUM
eurjchem-1920	147	632	0.9998	0.9998	NUM
eurjchem-1920	147	633	mean	mean	VERB
eurjchem-1920	147	634	absolute	absolute	ADJ
eurjchem-1920	147	635	percentage	percentage	NOUN
eurjchem-1920	147	636	error	error	NOUN
eurjchem-1920	147	637	4.1492	4.1492	NUM
eurjchem-1920	147	638	0.4407	0.4407	NUM
eurjchem-1920	147	639	0.4648	0.4648	NUM
eurjchem-1920	147	640	mean	mean	VERB
eurjchem-1920	147	641	absolute	absolute	ADJ
eurjchem-1920	147	642	error	error	NOUN
eurjchem-1920	147	643	55.9474	55.9474	NOUN
eurjchem-1920	147	644	5.8136	5.8136	NUM
eurjchem-1920	147	645	6.6174	6.6174	NUM
eurjchem-1920	147	646	rms	rm	NOUN
eurjchem-1920	147	647	52.4182	52.4182	NUM
eurjchem-1920	147	648	12.5792	12.5792	NUM
eurjchem-1920	147	649	12.1672	12.1672	NUM
eurjchem-1920	147	650	scaling	scale	VERB
eurjchem-1920	147	651	factor	factor	NOUN
eurjchem-1920	147	652	1.000	1.000	NUM
eurjchem-1920	147	653	0.9614	0.9614	NUM
eurjchem-1920	147	654	0.9588	0.9588	NUM
eurjchem-1920	147	655	*	*	PUNCT
eurjchem-1920	147	656	ν	ν	X
eurjchem-1920	147	657	,	,	PUNCT
eurjchem-1920	147	658	stretching	stretching	NOUN
eurjchem-1920	147	659	;	;	PUNCT
eurjchem-1920	147	660	δ	δ	PROPN
eurjchem-1920	147	661	,	,	PUNCT
eurjchem-1920	147	662	in	in	ADP
eurjchem-1920	147	663	-	-	PUNCT
eurjchem-1920	147	664	plane	plane	NOUN
eurjchem-1920	147	665	bending	bending	NOUN
eurjchem-1920	147	666	;	;	PUNCT
eurjchem-1920	147	667	γ	γ	X
eurjchem-1920	147	668	,	,	PUNCT
eurjchem-1920	147	669	out	out	ADV
eurjchem-1920	147	670	-	-	PUNCT
eurjchem-1920	147	671	of	of	ADP
eurjchem-1920	147	672	-	-	PUNCT
eurjchem-1920	147	673	plane	plane	NOUN
eurjchem-1920	147	674	bending	bending	NOUN
eurjchem-1920	147	675	;	;	PUNCT
eurjchem-1920	147	676	τ	τ	PROPN
eurjchem-1920	147	677	,	,	PUNCT
eurjchem-1920	147	678	torsion	torsion	NOUN
eurjchem-1920	147	679	;	;	PUNCT
eurjchem-1920	147	680	ipb	ipb	PROPN
eurjchem-1920	147	681	:	:	PUNCT
eurjchem-1920	147	682	in	in	ADP
eurjchem-1920	147	683	-	-	PUNCT
eurjchem-1920	147	684	plane	plane	NOUN
eurjchem-1920	147	685	bending	bending	NOUN
eurjchem-1920	147	686	;	;	PUNCT
eurjchem-1920	147	687	opb	opb	ADJ
eurjchem-1920	147	688	:	:	PUNCT
eurjchem-1920	147	689	out	out	ADJ
eurjchem-1920	147	690	-	-	PUNCT
eurjchem-1920	147	691	of	of	ADP
eurjchem-1920	147	692	-	-	PUNCT
eurjchem-1920	147	693	plane	plane	NOUN
eurjchem-1920	147	694	bending	bending	NOUN
eurjchem-1920	147	695	;	;	PUNCT
eurjchem-1920	147	696	scis	scis	PROPN
eurjchem-1920	147	697	:	:	PUNCT
eurjchem-1920	147	698	scissoring	scissoring	NOUN
eurjchem-1920	147	699	;	;	PUNCT
eurjchem-1920	147	700	wagg	wagg	NOUN
eurjchem-1920	147	701	:	:	PUNCT
eurjchem-1920	147	702	wagging	wagging	NOUN
eurjchem-1920	147	703	;	;	PUNCT
eurjchem-1920	147	704	twist	twist	NOUN
eurjchem-1920	147	705	:	:	PUNCT
eurjchem-1920	147	706	twisting	twisting	NOUN
eurjchem-1920	147	707	;	;	PUNCT
eurjchem-1920	147	708	rock	rock	NOUN
eurjchem-1920	147	709	:	:	PUNCT
eurjchem-1920	147	710	rocking	rock	VERB
eurjchem-1920	147	711	;	;	PUNCT
eurjchem-1920	147	712	sym	sym	NOUN
eurjchem-1920	147	713	,	,	PUNCT
eurjchem-1920	147	714	symmetric	symmetric	NOUN
eurjchem-1920	147	715	;	;	PUNCT
eurjchem-1920	147	716	asym	asym	PROPN
eurjchem-1920	147	717	,	,	PUNCT
eurjchem-1920	147	718	asymmetric	asymmetric	NOUN
eurjchem-1920	147	719	;	;	PUNCT
eurjchem-1920	147	720	arom	arom	ADJ
eurjchem-1920	147	721	:	:	PUNCT
eurjchem-1920	147	722	aromatic	aromatic	ADJ
eurjchem-1920	147	723	;	;	PUNCT
eurjchem-1920	147	724	carb	carb	NOUN
eurjchem-1920	147	725	:	:	PUNCT
eurjchem-1920	147	726	carbonyl	carbonyl	NOUN
eurjchem-1920	147	727	group	group	NOUN
eurjchem-1920	147	728	;	;	PUNCT
eurjchem-1920	147	729	ped	pe	VERB
eurjchem-1920	147	730	less	less	ADJ
eurjchem-1920	147	731	than	than	ADP
eurjchem-1920	147	732	10	10	NUM
eurjchem-1920	147	733	%	%	NOUN
eurjchem-1920	147	734	are	be	AUX
eurjchem-1920	147	735	not	not	PART
eurjchem-1920	147	736	shown	show	VERB
eurjchem-1920	147	737	.	.	PUNCT
eurjchem-1920	148	1	the	the	DET
eurjchem-1920	148	2	differences	difference	NOUN
eurjchem-1920	148	3	between	between	ADP
eurjchem-1920	148	4	experimentally	experimentally	ADV
eurjchem-1920	148	5	observed	observe	VERB
eurjchem-1920	148	6	and	and	CCONJ
eurjchem-1920	148	7	theoretically	theoretically	ADV
eurjchem-1920	148	8	calculated	calculate	VERB
eurjchem-1920	148	9	νch	νch	NOUN
eurjchem-1920	148	10	are	be	AUX
eurjchem-1920	148	11	about	about	ADV
eurjchem-1920	148	12	6	6	NUM
eurjchem-1920	148	13	,	,	PUNCT
eurjchem-1920	148	14	4	4	NUM
eurjchem-1920	148	15	,	,	PUNCT
eurjchem-1920	148	16	2	2	NUM
eurjchem-1920	148	17	,	,	PUNCT
eurjchem-1920	148	18	2	2	NUM
eurjchem-1920	148	19	,	,	PUNCT
eurjchem-1920	148	20	4	4	NUM
eurjchem-1920	148	21	,	,	PUNCT
eurjchem-1920	148	22	6	6	NUM
eurjchem-1920	148	23	and	and	CCONJ
eurjchem-1920	148	24	2	2	NUM
eurjchem-1920	148	25	cm-1	cm-1	NOUN
eurjchem-1920	148	26	.	.	PUNCT
eurjchem-1920	149	1	3.3	3.3	NUM
eurjchem-1920	149	2	.	.	PUNCT
eurjchem-1920	150	1	thermodynamic	thermodynamic	ADJ
eurjchem-1920	150	2	parameters	parameter	NOUN
eurjchem-1920	150	3	and	and	CCONJ
eurjchem-1920	150	4	molecular	molecular	ADJ
eurjchem-1920	150	5	properties	property	NOUN
eurjchem-1920	150	6	table	table	VERB
eurjchem-1920	150	7	4	4	NUM
eurjchem-1920	150	8	lists	list	VERB
eurjchem-1920	150	9	the	the	DET
eurjchem-1920	150	10	calculated	calculated	ADJ
eurjchem-1920	150	11	values	value	NOUN
eurjchem-1920	150	12	of	of	ADP
eurjchem-1920	150	13	some	some	DET
eurjchem-1920	150	14	thermodynamic	thermodynamic	ADJ
eurjchem-1920	150	15	parameters	parameter	NOUN
eurjchem-1920	150	16	(	(	PUNCT
eurjchem-1920	150	17	such	such	ADJ
eurjchem-1920	150	18	as	as	ADP
eurjchem-1920	150	19	zero	zero	NUM
eurjchem-1920	150	20	-	-	PUNCT
eurjchem-1920	150	21	point	point	NOUN
eurjchem-1920	150	22	vibrational	vibrational	ADJ
eurjchem-1920	150	23	energy	energy	NOUN
eurjchem-1920	150	24	,	,	PUNCT
eurjchem-1920	150	25	thermal	thermal	ADJ
eurjchem-1920	150	26	corrections	correction	NOUN
eurjchem-1920	150	27	to	to	ADP
eurjchem-1920	150	28	energy	energy	NOUN
eurjchem-1920	150	29	,	,	PUNCT
eurjchem-1920	150	30	enthalpy	enthalpy	NOUN
eurjchem-1920	150	31	and	and	CCONJ
eurjchem-1920	150	32	entropy	entropy	PROPN
eurjchem-1920	150	33	)	)	PUNCT
eurjchem-1920	150	34	of	of	ADP
eurjchem-1920	150	35	the	the	DET
eurjchem-1920	150	36	title	title	NOUN
eurjchem-1920	150	37	compound	compound	NOUN
eurjchem-1920	150	38	.	.	PUNCT
eurjchem-1920	151	1	the	the	DET
eurjchem-1920	151	2	minimum	minimum	ADJ
eurjchem-1920	151	3	and	and	CCONJ
eurjchem-1920	151	4	maximum	maximum	ADJ
eurjchem-1920	151	5	energy	energy	NOUN
eurjchem-1920	151	6	obtained	obtain	VERB
eurjchem-1920	151	7	from	from	ADP
eurjchem-1920	151	8	the	the	DET
eurjchem-1920	151	9	geometric	geometric	ADJ
eurjchem-1920	151	10	optimization	optimization	NOUN
eurjchem-1920	151	11	of	of	ADP
eurjchem-1920	151	12	the	the	DET
eurjchem-1920	151	13	title	title	NOUN
eurjchem-1920	151	14	compound	compound	NOUN
eurjchem-1920	151	15	were	be	AUX
eurjchem-1920	151	16	calculated	calculate	VERB
eurjchem-1920	151	17	as	as	ADP
eurjchem-1920	151	18	-5224.102	-5224.102	PUNCT
eurjchem-1920	151	19	a.u	a.u	PROPN
eurjchem-1920	151	20	.	.	PROPN
eurjchem-1920	151	21	for	for	ADP
eurjchem-1920	151	22	the	the	DET
eurjchem-1920	151	23	b3lyp/6	b3lyp/6	NOUN
eurjchem-1920	151	24	-	-	NOUN
eurjchem-1920	151	25	311g(d	311g(d	NUM
eurjchem-1920	151	26	,	,	PUNCT
eurjchem-1920	151	27	p	p	NOUN
eurjchem-1920	151	28	)	)	PUNCT
eurjchem-1920	151	29	and	and	CCONJ
eurjchem-1920	151	30	5210.664	5210.664	NUM
eurjchem-1920	151	31	a.u	a.u	PROPN
eurjchem-1920	151	32	.	.	PROPN
eurjchem-1920	151	33	for	for	ADP
eurjchem-1920	151	34	hf/6	hf/6	NOUN
eurjchem-1920	151	35	-	-	PUNCT
eurjchem-1920	151	36	31g(d	31g(d	NUM
eurjchem-1920	151	37	,	,	PUNCT
eurjchem-1920	151	38	p	p	NOUN
eurjchem-1920	151	39	)	)	PUNCT
eurjchem-1920	151	40	method	method	NOUN
eurjchem-1920	151	41	.	.	PUNCT
eurjchem-1920	152	1	the	the	DET
eurjchem-1920	152	2	calculated	calculate	VERB
eurjchem-1920	152	3	energy	energy	NOUN
eurjchem-1920	152	4	difference	difference	NOUN
eurjchem-1920	152	5	for	for	ADP
eurjchem-1920	152	6	these	these	DET
eurjchem-1920	152	7	two	two	NUM
eurjchem-1920	152	8	extreme	extreme	ADJ
eurjchem-1920	152	9	values	value	NOUN
eurjchem-1920	152	10	is	be	AUX
eurjchem-1920	152	11	only	only	ADV
eurjchem-1920	152	12	-13.438	-13.438	VERB
eurjchem-1920	152	13	a.u	a.u	PROPN
eurjchem-1920	152	14	.	.	PUNCT
eurjchem-1920	153	1	the	the	DET
eurjchem-1920	153	2	biggest	big	ADJ
eurjchem-1920	153	3	value	value	NOUN
eurjchem-1920	153	4	of	of	ADP
eurjchem-1920	153	5	zero	zero	NUM
eurjchem-1920	153	6	-	-	PUNCT
eurjchem-1920	153	7	point	point	NOUN
eurjchem-1920	153	8	vibrational	vibrational	ADJ
eurjchem-1920	153	9	energy	energy	NOUN
eurjchem-1920	153	10	is	be	AUX
eurjchem-1920	153	11	176.359	176.359	NUM
eurjchem-1920	153	12	kcal	kcal	NOUN
eurjchem-1920	153	13	/	/	SYM
eurjchem-1920	153	14	mol	mol	PROPN
eurjchem-1920	153	15	obtained	obtain	VERB
eurjchem-1920	153	16	at	at	ADP
eurjchem-1920	153	17	hf/6	hf/6	NOUN
eurjchem-1920	153	18	-	-	PUNCT
eurjchem-1920	153	19	31g(d	31g(d	PROPN
eurjchem-1920	153	20	,	,	PUNCT
eurjchem-1920	153	21	p	p	NOUN
eurjchem-1920	153	22	)	)	PUNCT
eurjchem-1920	153	23	whereas	whereas	SCONJ
eurjchem-1920	153	24	the	the	DET
eurjchem-1920	153	25	smallest	small	ADJ
eurjchem-1920	153	26	one	one	NOUN
eurjchem-1920	153	27	is	be	AUX
eurjchem-1920	153	28	155.648	155.648	NUM
eurjchem-1920	153	29	kcal	kcal	NOUN
eurjchem-1920	153	30	/	/	SYM
eurjchem-1920	153	31	mol	mol	PROPN
eurjchem-1920	153	32	obtained	obtain	VERB
eurjchem-1920	153	33	at	at	ADP
eurjchem-1920	153	34	blyp/6311g(d	blyp/6311g(d	PROPN
eurjchem-1920	153	35	,	,	PUNCT
eurjchem-1920	153	36	p	p	NOUN
eurjchem-1920	153	37	)	)	PUNCT
eurjchem-1920	153	38	.	.	PUNCT
eurjchem-1920	154	1	the	the	DET
eurjchem-1920	154	2	total	total	ADJ
eurjchem-1920	154	3	energies	energy	NOUN
eurjchem-1920	154	4	are	be	AUX
eurjchem-1920	154	5	found	find	VERB
eurjchem-1920	154	6	to	to	PART
eurjchem-1920	154	7	decrease	decrease	VERB
eurjchem-1920	154	8	with	with	ADP
eurjchem-1920	154	9	the	the	DET
eurjchem-1920	154	10	increase	increase	NOUN
eurjchem-1920	154	11	of	of	ADP
eurjchem-1920	154	12	basis	basis	NOUN
eurjchem-1920	154	13	set	set	NOUN
eurjchem-1920	154	14	dimension	dimension	NOUN
eurjchem-1920	154	15	[	[	X
eurjchem-1920	154	16	21	21	NUM
eurjchem-1920	154	17	]	]	PUNCT
eurjchem-1920	154	18	.	.	PUNCT
eurjchem-1920	155	1	the	the	DET
eurjchem-1920	155	2	natural	natural	ADJ
eurjchem-1920	155	3	population	population	NOUN
eurjchem-1920	155	4	analysis	analysis	NOUN
eurjchem-1920	155	5	(	(	PUNCT
eurjchem-1920	155	6	npa	npa	NOUN
eurjchem-1920	155	7	)	)	PUNCT
eurjchem-1920	155	8	and	and	CCONJ
eurjchem-1920	155	9	mulliken	mulliken	NOUN
eurjchem-1920	155	10	charge	charge	NOUN
eurjchem-1920	155	11	values	value	NOUN
eurjchem-1920	155	12	calculated	calculate	VERB
eurjchem-1920	155	13	for	for	ADP
eurjchem-1920	155	14	h2lnnn	h2lnnn	ADJ
eurjchem-1920	155	15	molecule	molecule	NOUN
eurjchem-1920	155	16	are	be	AUX
eurjchem-1920	155	17	given	give	VERB
eurjchem-1920	155	18	in	in	ADP
eurjchem-1920	155	19	tables	table	NOUN
eurjchem-1920	155	20	5	5	NUM
eurjchem-1920	155	21	and	and	CCONJ
eurjchem-1920	155	22	6	6	NUM
eurjchem-1920	155	23	,	,	PUNCT
eurjchem-1920	155	24	respectively	respectively	ADV
eurjchem-1920	155	25	.	.	PUNCT
eurjchem-1920	156	1	npa	npa	NOUN
eurjchem-1920	156	2	and	and	CCONJ
eurjchem-1920	156	3	mulliken	mulliken	PROPN
eurjchem-1920	156	4	atomic	atomic	ADJ
eurjchem-1920	156	5	charge	charge	NOUN
eurjchem-1920	156	6	calculation	calculation	NOUN
eurjchem-1920	156	7	results	result	NOUN
eurjchem-1920	156	8	showed	show	VERB
eurjchem-1920	156	9	that	that	SCONJ
eurjchem-1920	156	10	the	the	DET
eurjchem-1920	156	11	carbon	carbon	NOUN
eurjchem-1920	156	12	atom	atom	NOUN
eurjchem-1920	156	13	in	in	ADP
eurjchem-1920	156	14	the	the	DET
eurjchem-1920	156	15	carbonyl	carbonyl	NOUN
eurjchem-1920	156	16	group	group	NOUN
eurjchem-1920	156	17	(	(	PUNCT
eurjchem-1920	156	18	c19	c19	PROPN
eurjchem-1920	156	19	,	,	PUNCT
eurjchem-1920	156	20	0.8379	0.8379	NUM
eurjchem-1920	156	21	(	(	PUNCT
eurjchem-1920	156	22	hf/6	hf/6	PROPN
eurjchem-1920	156	23	-	-	PUNCT
eurjchem-1920	156	24	31g(d	31g(d	NUM
eurjchem-1920	156	25	,	,	PUNCT
eurjchem-1920	156	26	p	p	NOUN
eurjchem-1920	156	27	)	)	PUNCT
eurjchem-1920	156	28	)	)	PUNCT
eurjchem-1920	156	29	have	have	VERB
eurjchem-1920	156	30	the	the	DET
eurjchem-1920	156	31	highest	high	ADJ
eurjchem-1920	156	32	positive	positive	ADJ
eurjchem-1920	156	33	charge	charge	NOUN
eurjchem-1920	156	34	.	.	PUNCT
eurjchem-1920	157	1	in	in	ADP
eurjchem-1920	157	2	addition	addition	NOUN
eurjchem-1920	157	3	,	,	PUNCT
eurjchem-1920	157	4	it	it	PRON
eurjchem-1920	157	5	was	be	AUX
eurjchem-1920	157	6	also	also	ADV
eurjchem-1920	157	7	found	find	VERB
eurjchem-1920	157	8	that	that	SCONJ
eurjchem-1920	157	9	the	the	DET
eurjchem-1920	157	10	oxygen	oxygen	NOUN
eurjchem-1920	157	11	atom	atom	NOUN
eurjchem-1920	157	12	in	in	ADP
eurjchem-1920	157	13	the	the	DET
eurjchem-1920	157	14	molecule	molecule	NOUN
eurjchem-1920	157	15	(	(	PUNCT
eurjchem-1920	157	16	o2o	o2o	PROPN
eurjchem-1920	157	17	,	,	PUNCT
eurjchem-1920	157	18	-0.7061	-0.7061	PROPN
eurjchem-1920	157	19	(	(	PUNCT
eurjchem-1920	157	20	hf/6	hf/6	PROPN
eurjchem-1920	157	21	-	-	PUNCT
eurjchem-1920	157	22	31g(d	31g(d	NUM
eurjchem-1920	157	23	,	,	PUNCT
eurjchem-1920	157	24	p	p	NOUN
eurjchem-1920	157	25	)	)	PUNCT
eurjchem-1920	157	26	)	)	PUNCT
eurjchem-1920	157	27	was	be	AUX
eurjchem-1920	157	28	charged	charge	VERB
eurjchem-1920	157	29	with	with	ADP
eurjchem-1920	157	30	negative	negative	ADJ
eurjchem-1920	157	31	charge	charge	NOUN
eurjchem-1920	157	32	as	as	SCONJ
eurjchem-1920	157	33	expected	expect	VERB
eurjchem-1920	157	34	and	and	CCONJ
eurjchem-1920	157	35	the	the	DET
eurjchem-1920	157	36	c19o20	c19o20	ADJ
eurjchem-1920	157	37	carbonyl	carbonyl	NOUN
eurjchem-1920	157	38	group	group	NOUN
eurjchem-1920	157	39	shared	share	VERB
eurjchem-1920	157	40	the	the	DET
eurjchem-1920	157	41	highest	high	ADJ
eurjchem-1920	157	42	negative	negative	ADJ
eurjchem-1920	157	43	and	and	CCONJ
eurjchem-1920	157	44	positive	positive	ADJ
eurjchem-1920	157	45	charges	charge	NOUN
eurjchem-1920	157	46	of	of	ADP
eurjchem-1920	157	47	the	the	DET
eurjchem-1920	157	48	molecule	molecule	NOUN
eurjchem-1920	158	1	[	[	X
eurjchem-1920	158	2	21	21	NUM
eurjchem-1920	158	3	]	]	PUNCT
eurjchem-1920	158	4	.	.	PUNCT
eurjchem-1920	159	1	3.4	3.4	NUM
eurjchem-1920	159	2	.	.	PUNCT
eurjchem-1920	160	1	hirshfeld	hirshfeld	PROPN
eurjchem-1920	160	2	surfaces	surface	VERB
eurjchem-1920	160	3	analysis	analysis	VERB
eurjchem-1920	160	4	the	the	DET
eurjchem-1920	160	5	supramolecular	supramolecular	ADJ
eurjchem-1920	160	6	architecture	architecture	NOUN
eurjchem-1920	160	7	in	in	ADP
eurjchem-1920	160	8	the	the	DET
eurjchem-1920	160	9	h2lnnn	h2lnnn	NOUN
eurjchem-1920	160	10	has	have	AUX
eurjchem-1920	160	11	been	be	AUX
eurjchem-1920	160	12	stabilized	stabilize	VERB
eurjchem-1920	160	13	by	by	ADP
eurjchem-1920	160	14	hydrogen	hydrogen	NOUN
eurjchem-1920	160	15	bonding	bonding	NOUN
eurjchem-1920	160	16	,	,	PUNCT
eurjchem-1920	160	17	halogen···halogen	halogen···halogen	PROPN
eurjchem-1920	160	18	and	and	CCONJ
eurjchem-1920	160	19	c	c	PROPN
eurjchem-1920	160	20	halogen···π	halogen···π	ADJ
eurjchem-1920	160	21	(	(	PUNCT
eurjchem-1920	160	22	cl···cl	cl···cl	NOUN
eurjchem-1920	160	23	and	and	CCONJ
eurjchem-1920	160	24	c	c	NOUN
eurjchem-1920	160	25	-	-	PUNCT
eurjchem-1920	160	26	cl···π	cl···π	NOUN
eurjchem-1920	160	27	)	)	PUNCT
eurjchem-1920	160	28	interactions	interaction	NOUN
eurjchem-1920	160	29	.	.	PUNCT
eurjchem-1920	161	1	these	these	DET
eurjchem-1920	161	2	interactions	interaction	NOUN
eurjchem-1920	161	3	have	have	AUX
eurjchem-1920	161	4	further	far	ADV
eurjchem-1920	161	5	been	be	AUX
eurjchem-1920	161	6	investigated	investigate	VERB
eurjchem-1920	161	7	with	with	ADP
eurjchem-1920	161	8	the	the	DET
eurjchem-1920	161	9	help	help	NOUN
eurjchem-1920	161	10	of	of	ADP
eurjchem-1920	161	11	hirshfeld	hirshfeld	PROPN
eurjchem-1920	161	12	surface	surface	NOUN
eurjchem-1920	161	13	analyses	analysis	NOUN
eurjchem-1920	161	14	.	.	PUNCT
eurjchem-1920	162	1	molecular	molecular	ADJ
eurjchem-1920	162	2	hirshfeld	hirshfeld	PROPN
eurjchem-1920	162	3	surface	surface	NOUN
eurjchem-1920	162	4	calculations	calculation	NOUN
eurjchem-1920	162	5	were	be	AUX
eurjchem-1920	162	6	performed	perform	VERB
eurjchem-1920	162	7	using	use	VERB
eurjchem-1920	162	8	the	the	DET
eurjchem-1920	162	9	crystal	crystal	NOUN
eurjchem-1920	162	10	explorer	explorer	NOUN
eurjchem-1920	162	11	17	17	NUM
eurjchem-1920	162	12	program	program	NOUN
eurjchem-1920	162	13	[	[	X
eurjchem-1920	162	14	40	40	NUM
eurjchem-1920	162	15	]	]	PUNCT
eurjchem-1920	162	16	.	.	PUNCT
eurjchem-1920	163	1	all	all	DET
eurjchem-1920	163	2	hirshfeld	hirshfeld	NOUN
eurjchem-1920	163	3	surfaces	surface	NOUN
eurjchem-1920	163	4	were	be	AUX
eurjchem-1920	163	5	created	create	VERB
eurjchem-1920	163	6	using	use	VERB
eurjchem-1920	163	7	crystallographically	crystallographically	ADV
eurjchem-1920	163	8	determined	determine	VERB
eurjchem-1920	163	9	coordinates	coordinate	NOUN
eurjchem-1920	163	10	of	of	ADP
eurjchem-1920	163	11	the	the	DET
eurjchem-1920	163	12	atoms	atom	NOUN
eurjchem-1920	163	13	in	in	ADP
eurjchem-1920	163	14	the	the	DET
eurjchem-1920	163	15	compound	compound	NOUN
eurjchem-1920	163	16	and	and	CCONJ
eurjchem-1920	163	17	a	a	DET
eurjchem-1920	163	18	standard	standard	ADJ
eurjchem-1920	163	19	(	(	PUNCT
eurjchem-1920	163	20	high	high	ADJ
eurjchem-1920	163	21	)	)	PUNCT
eurjchem-1920	163	22	surface	surface	NOUN
eurjchem-1920	163	23	resolution	resolution	NOUN
eurjchem-1920	163	24	[	[	X
eurjchem-1920	163	25	21,40	21,40	NOUN
eurjchem-1920	163	26	]	]	PUNCT
eurjchem-1920	163	27	.	.	PUNCT
eurjchem-1920	164	1	the	the	DET
eurjchem-1920	164	2	dnorm	dnorm	NOUN
eurjchem-1920	164	3	,	,	PUNCT
eurjchem-1920	164	4	de	de	X
eurjchem-1920	164	5	,	,	PUNCT
eurjchem-1920	164	6	di	di	NOUN
eurjchem-1920	164	7	,	,	PUNCT
eurjchem-1920	164	8	curvedness	curvedness	ADJ
eurjchem-1920	164	9	and	and	CCONJ
eurjchem-1920	164	10	shape	shape	VERB
eurjchem-1920	164	11	index	index	NOUN
eurjchem-1920	164	12	surfaces	surface	NOUN
eurjchem-1920	164	13	of	of	ADP
eurjchem-1920	164	14	the	the	DET
eurjchem-1920	164	15	h2lnnn	h2lnnn	NOUN
eurjchem-1920	164	16	are	be	AUX
eurjchem-1920	164	17	shown	show	VERB
eurjchem-1920	164	18	in	in	ADP
eurjchem-1920	164	19	figure	figure	NOUN
eurjchem-1920	164	20	3	3	NUM
eurjchem-1920	164	21	.	.	NOUN
eurjchem-1920	164	22	2019	2019	NUM
eurjchem-1920	164	23	–	–	PUNCT
eurjchem-1920	164	24	european	european	ADJ
eurjchem-1920	164	25	journal	journal	NOUN
eurjchem-1920	164	26	of	of	ADP
eurjchem-1920	164	27	chemistry	chemistry	NOUN
eurjchem-1920	164	28	–	–	PUNCT
eurjchem-1920	164	29	cc	cc	NOUN
eurjchem-1920	164	30	by	by	ADP
eurjchem-1920	164	31	nc	nc	PROPN
eurjchem-1920	164	32	–	–	PUNCT
eurjchem-1920	164	33	doi	doi	NOUN
eurjchem-1920	164	34	:	:	PUNCT
eurjchem-1920	164	35	10.5155	10.5155	NUM
eurjchem-1920	164	36	/	/	SYM
eurjchem-1920	164	37	eurjchem.10.4.323	eurjchem.10.4.323	NOUN
eurjchem-1920	164	38	-	-	SYM
eurjchem-1920	164	39	335.1920	335.1920	NUM
eurjchem-1920	164	40	330	330	NUM
eurjchem-1920	164	41	aydogdu	aydogdu	ADV
eurjchem-1920	164	42	et	et	PROPN
eurjchem-1920	164	43	al	al	PROPN
eurjchem-1920	164	44	.	.	PUNCT
eurjchem-1920	164	45	/	/	SYM
eurjchem-1920	164	46	european	european	PROPN
eurjchem-1920	164	47	journal	journal	PROPN
eurjchem-1920	164	48	of	of	ADP
eurjchem-1920	164	49	chemistry	chemistry	NOUN
eurjchem-1920	164	50	10	10	NUM
eurjchem-1920	164	51	(	(	PUNCT
eurjchem-1920	164	52	4	4	NUM
eurjchem-1920	164	53	)	)	PUNCT
eurjchem-1920	164	54	(	(	PUNCT
eurjchem-1920	164	55	2019	2019	NUM
eurjchem-1920	164	56	)	)	PUNCT
eurjchem-1920	164	57	323	323	NUM
eurjchem-1920	164	58	-	-	SYM
eurjchem-1920	164	59	335	335	NUM
eurjchem-1920	164	60	table	table	NOUN
eurjchem-1920	164	61	3	3	NUM
eurjchem-1920	164	62	.	.	PUNCT
eurjchem-1920	165	1	statistical	statistical	ADJ
eurjchem-1920	165	2	comparison	comparison	NOUN
eurjchem-1920	165	3	of	of	ADP
eurjchem-1920	165	4	theoretical	theoretical	ADJ
eurjchem-1920	165	5	and	and	CCONJ
eurjchem-1920	165	6	experimental	experimental	ADJ
eurjchem-1920	165	7	vibrational	vibrational	ADJ
eurjchem-1920	165	8	wavenumbers	wavenumber	NOUN
eurjchem-1920	165	9	of	of	ADP
eurjchem-1920	165	10	h2lnnn	h2lnnn	ADJ
eurjchem-1920	165	11	molecule	molecule	NOUN
eurjchem-1920	165	12	on	on	ADP
eurjchem-1920	165	13	the	the	DET
eurjchem-1920	165	14	used	use	VERB
eurjchem-1920	165	15	method	method	NOUN
eurjchem-1920	165	16	and	and	CCONJ
eurjchem-1920	165	17	basis	basis	NOUN
eurjchem-1920	165	18	set	set	NOUN
eurjchem-1920	165	19	*	*	PUNCT
eurjchem-1920	165	20	.	.	PUNCT
eurjchem-1920	166	1	method	method	PROPN
eurjchem-1920	166	2	b3lyp	b3lyp	PROPN
eurjchem-1920	167	1	b3lyp×sf	b3lyp×sf	PROPN
eurjchem-1920	167	2	b3lyp×csf	b3lyp×csf	NUM
eurjchem-1920	167	3	b3lyp	b3lyp	SYM
eurjchem-1920	167	4	b3lyp×sf	b3lyp×sf	NOUN
eurjchem-1920	167	5	b3lyp×csf	b3lyp×csf	VERB
eurjchem-1920	167	6	basis	basis	NOUN
eurjchem-1920	167	7	set	set	VERB
eurjchem-1920	167	8	6	6	NUM
eurjchem-1920	167	9	-	-	SYM
eurjchem-1920	167	10	31g(d	31g(d	NUM
eurjchem-1920	167	11	,	,	PUNCT
eurjchem-1920	167	12	p	p	NOUN
eurjchem-1920	167	13	)	)	PUNCT
eurjchem-1920	167	14	6	6	NUM
eurjchem-1920	167	15	-	-	SYM
eurjchem-1920	167	16	311g(d	311g(d	NUM
eurjchem-1920	167	17	,	,	PUNCT
eurjchem-1920	167	18	p	p	NOUN
eurjchem-1920	167	19	)	)	PUNCT
eurjchem-1920	167	20	r	r	NOUN
eurjchem-1920	167	21	0.9998	0.9998	NUM
eurjchem-1920	168	1	0.9998	0.9998	NUM
eurjchem-1920	168	2	0.9998	0.9998	NUM
eurjchem-1920	168	3	0.9998	0.9998	NUM
eurjchem-1920	168	4	0.9998	0.9998	NUM
eurjchem-1920	168	5	0.9998	0.9998	NUM
eurjchem-1920	168	6	mean	mean	VERB
eurjchem-1920	168	7	absolute	absolute	ADJ
eurjchem-1920	168	8	percentage	percentage	NOUN
eurjchem-1920	168	9	error	error	NOUN
eurjchem-1920	168	10	4.1492	4.1492	NUM
eurjchem-1920	168	11	0.4407	0.4407	NUM
eurjchem-1920	168	12	0.4648	0.4648	NUM
eurjchem-1920	168	13	3.7561	3.7561	NUM
eurjchem-1920	168	14	0.6706	0.6706	NUM
eurjchem-1920	168	15	0.6432	0.6432	NUM
eurjchem-1920	168	16	mean	mean	VERB
eurjchem-1920	168	17	absolute	absolute	ADJ
eurjchem-1920	168	18	error	error	NOUN
eurjchem-1920	168	19	55.9474	55.9474	NOUN
eurjchem-1920	168	20	5.8136	5.8136	NUM
eurjchem-1920	168	21	6.6174	6.6174	NUM
eurjchem-1920	168	22	49.3742	49.3742	NUM
eurjchem-1920	168	23	8.068	8.068	NUM
eurjchem-1920	168	24	8.583	8.583	NUM
eurjchem-1920	168	25	rms	rm	NOUN
eurjchem-1920	168	26	52.4182	52.4182	NUM
eurjchem-1920	168	27	12.5792	12.5792	NUM
eurjchem-1920	168	28	12.1672	12.1672	NUM
eurjchem-1920	168	29	46.3699	46.3699	NUM
eurjchem-1920	168	30	14.1371	14.1371	NUM
eurjchem-1920	168	31	13.2612	13.2612	NUM
eurjchem-1920	168	32	scaling	scaling	NOUN
eurjchem-1920	168	33	factor	factor	NOUN
eurjchem-1920	168	34	1.000	1.000	NUM
eurjchem-1920	168	35	0.9614	0.9614	NUM
eurjchem-1920	168	36	0.9588	0.9588	NUM
eurjchem-1920	168	37	1.000	1.000	NUM
eurjchem-1920	168	38	0.9679	0.9679	NUM
eurjchem-1920	168	39	0.9639	0.9639	NUM
eurjchem-1920	168	40	method	method	NOUN
eurjchem-1920	168	41	b3pw91	b3pw91	NOUN
eurjchem-1920	168	42	b3pw91×sf	b3pw91×sf	NOUN
eurjchem-1920	168	43	b3pw91×csf	b3pw91×csf	ADP
eurjchem-1920	168	44	b3pw91	b3pw91	NOUN
eurjchem-1920	168	45	b3pw91×sf	b3pw91×sf	NOUN
eurjchem-1920	168	46	b3pw91×csf	b3pw91×csf	ADP
eurjchem-1920	168	47	basis	basis	NOUN
eurjchem-1920	168	48	set	set	VERB
eurjchem-1920	168	49	6	6	NUM
eurjchem-1920	168	50	-	-	SYM
eurjchem-1920	168	51	31g(d	31g(d	NUM
eurjchem-1920	168	52	,	,	PUNCT
eurjchem-1920	168	53	p	p	NOUN
eurjchem-1920	168	54	)	)	PUNCT
eurjchem-1920	168	55	6	6	NUM
eurjchem-1920	168	56	-	-	SYM
eurjchem-1920	168	57	311g(d	311g(d	NUM
eurjchem-1920	168	58	,	,	PUNCT
eurjchem-1920	168	59	p	p	NOUN
eurjchem-1920	168	60	)	)	PUNCT
eurjchem-1920	168	61	r	r	NOUN
eurjchem-1920	168	62	0.9998	0.9998	NUM
eurjchem-1920	168	63	0.9998	0.9998	NUM
eurjchem-1920	168	64	0.9998	0.9998	NUM
eurjchem-1920	168	65	0.9997	0.9997	NUM
eurjchem-1920	168	66	0.9997	0.9997	NUM
eurjchem-1920	168	67	0.9997	0.9997	NUM
eurjchem-1920	168	68	mean	mean	VERB
eurjchem-1920	168	69	absolute	absolute	ADJ
eurjchem-1920	168	70	percentage	percentage	NOUN
eurjchem-1920	168	71	error	error	NOUN
eurjchem-1920	168	72	4.8639	4.8639	NUM
eurjchem-1920	168	73	0.6422	0.6422	NUM
eurjchem-1920	168	74	0.6198	0.6198	NUM
eurjchem-1920	168	75	4.5332	4.5332	NUM
eurjchem-1920	168	76	0.8356	0.8356	NUM
eurjchem-1920	168	77	0.7321	0.7321	NUM
eurjchem-1920	168	78	mean	mean	ADJ
eurjchem-1920	168	79	absolute	absolute	ADJ
eurjchem-1920	168	80	error	error	NOUN
eurjchem-1920	168	81	63.8512	63.8512	NUM
eurjchem-1920	168	82	8.1063	8.1063	NUM
eurjchem-1920	168	83	8.5868	8.5868	NUM
eurjchem-1920	168	84	57.8698	57.8698	NUM
eurjchem-1920	168	85	9.4337	9.4337	NUM
eurjchem-1920	168	86	9.5315	9.5315	NUM
eurjchem-1920	168	87	rms	rm	NOUN
eurjchem-1920	168	88	58.0298	58.0298	NUM
eurjchem-1920	168	89	13.5511	13.5511	NUM
eurjchem-1920	168	90	13.1117	13.1117	NUM
eurjchem-1920	168	91	52.0289	52.0289	NUM
eurjchem-1920	168	92	14.3824	14.3824	NUM
eurjchem-1920	168	93	13.6441	13.6441	NUM
eurjchem-1920	168	94	scaling	scaling	NOUN
eurjchem-1920	168	95	factor	factor	NOUN
eurjchem-1920	168	96	1.000	1.000	NUM
eurjchem-1920	168	97	0.9573	0.9573	NUM
eurjchem-1920	168	98	0.9545	0.9545	NUM
eurjchem-1920	168	99	1.000	1.000	NUM
eurjchem-1920	168	100	0.9631	0.9631	NUM
eurjchem-1920	168	101	0.9594	0.9594	NUM
eurjchem-1920	168	102	method	method	NOUN
eurjchem-1920	168	103	blyp	blyp	X
eurjchem-1920	168	104	blyp×sf	blyp×sf	PROPN
eurjchem-1920	168	105	blyp×csf	blyp×csf	PUNCT
eurjchem-1920	168	106	blyp	blyp	PROPN
eurjchem-1920	168	107	blyp×sf	blyp×sf	PROPN
eurjchem-1920	168	108	blyp×csf	blyp×csf	PUNCT
eurjchem-1920	168	109	basis	basis	NOUN
eurjchem-1920	168	110	set	set	VERB
eurjchem-1920	168	111	6	6	NUM
eurjchem-1920	168	112	-	-	SYM
eurjchem-1920	168	113	31g(d	31g(d	NUM
eurjchem-1920	168	114	,	,	PUNCT
eurjchem-1920	168	115	p	p	NOUN
eurjchem-1920	168	116	)	)	PUNCT
eurjchem-1920	168	117	6	6	NUM
eurjchem-1920	168	118	-	-	SYM
eurjchem-1920	168	119	311g(d	311g(d	NUM
eurjchem-1920	168	120	,	,	PUNCT
eurjchem-1920	168	121	p	p	NOUN
eurjchem-1920	168	122	)	)	PUNCT
eurjchem-1920	168	123	r	r	NOUN
eurjchem-1920	168	124	0.9998	0.9998	NUM
eurjchem-1920	169	1	0.9998	0.9998	NUM
eurjchem-1920	169	2	0.9998	0.9998	NUM
eurjchem-1920	169	3	0.9998	0.9998	NUM
eurjchem-1920	169	4	0.9998	0.9998	NUM
eurjchem-1920	169	5	0.9998	0.9998	NUM
eurjchem-1920	169	6	mean	mean	VERB
eurjchem-1920	169	7	absolute	absolute	ADJ
eurjchem-1920	169	8	percentage	percentage	NOUN
eurjchem-1920	169	9	error	error	NOUN
eurjchem-1920	169	10	1.0796	1.0796	NUM
eurjchem-1920	169	11	1.2914	1.2914	NUM
eurjchem-1920	169	12	1.4114	1.4114	NUM
eurjchem-1920	169	13	1.1965	1.1965	NUM
eurjchem-1920	169	14	1.5784	1.5784	NUM
eurjchem-1920	169	15	1.3314	1.3314	NUM
eurjchem-1920	169	16	mean	mean	NOUN
eurjchem-1920	169	17	absolute	absolute	ADJ
eurjchem-1920	169	18	error	error	NOUN
eurjchem-1920	169	19	14.5717	14.5717	NUM
eurjchem-1920	169	20	14.9083	14.9083	NUM
eurjchem-1920	169	21	15.6016	15.6016	NUM
eurjchem-1920	169	22	14.694	14.694	NUM
eurjchem-1920	169	23	17.0247	17.0247	NUM
eurjchem-1920	169	24	15.3341	15.3341	NUM
eurjchem-1920	169	25	rms	rm	NOUN
eurjchem-1920	169	26	19.0646	19.0646	NUM
eurjchem-1920	169	27	16.9564	16.9564	NUM
eurjchem-1920	169	28	16.7738	16.7738	NUM
eurjchem-1920	169	29	17.6689	17.6689	NUM
eurjchem-1920	169	30	17.9821	17.9821	NUM
eurjchem-1920	169	31	17.3735	17.3735	NUM
eurjchem-1920	169	32	scaling	scale	VERB
eurjchem-1920	169	33	factor	factor	NOUN
eurjchem-1920	169	34	1.000	1.000	NUM
eurjchem-1920	169	35	0.9945	0.9945	NUM
eurjchem-1920	169	36	0.9924	0.9924	NUM
eurjchem-1920	169	37	1.000	1.000	NUM
eurjchem-1920	169	38	0.9934	0.9934	NUM
eurjchem-1920	169	39	0.9973	0.9973	NUM
eurjchem-1920	169	40	method	method	NOUN
eurjchem-1920	169	41	hf	hf	PROPN
eurjchem-1920	169	42	hf×sf	hf×sf	PROPN
eurjchem-1920	169	43	hf×csf	hf×csf	PROPN
eurjchem-1920	169	44	hf	hf	PROPN
eurjchem-1920	169	45	hf×sf	hf×sf	PROPN
eurjchem-1920	169	46	hf×csf	hf×csf	PROPN
eurjchem-1920	169	47	basis	basis	NOUN
eurjchem-1920	169	48	set	set	VERB
eurjchem-1920	169	49	6	6	NUM
eurjchem-1920	169	50	-	-	SYM
eurjchem-1920	169	51	31g(d	31g(d	NUM
eurjchem-1920	169	52	,	,	PUNCT
eurjchem-1920	169	53	p	p	NOUN
eurjchem-1920	169	54	)	)	PUNCT
eurjchem-1920	169	55	6	6	NUM
eurjchem-1920	169	56	-	-	SYM
eurjchem-1920	169	57	311g(d	311g(d	NUM
eurjchem-1920	169	58	,	,	PUNCT
eurjchem-1920	169	59	p	p	NOUN
eurjchem-1920	169	60	)	)	PUNCT
eurjchem-1920	169	61	r	r	NOUN
eurjchem-1920	169	62	0.9988	0.9988	NUM
eurjchem-1920	170	1	0.9988	0.9988	NUM
eurjchem-1920	170	2	0.9988	0.9988	NUM
eurjchem-1920	170	3	0.9987	0.9987	NUM
eurjchem-1920	170	4	0.9987	0.9987	NUM
eurjchem-1920	170	5	0.9987	0.9987	NUM
eurjchem-1920	170	6	mean	mean	VERB
eurjchem-1920	170	7	absolute	absolute	ADJ
eurjchem-1920	170	8	percentage	percentage	NOUN
eurjchem-1920	170	9	error	error	NOUN
eurjchem-1920	170	10	13.8217	13.8217	NUM
eurjchem-1920	170	11	3.1296	3.1296	NUM
eurjchem-1920	170	12	2.842	2.842	NUM
eurjchem-1920	170	13	13.1963	13.1963	NUM
eurjchem-1920	170	14	3.2733	3.2733	NUM
eurjchem-1920	170	15	2.9543	2.9543	NUM
eurjchem-1920	170	16	mean	mean	NOUN
eurjchem-1920	170	17	absolute	absolute	ADJ
eurjchem-1920	170	18	error	error	NOUN
eurjchem-1920	170	19	171.1416	171.1416	NUM
eurjchem-1920	170	20	36.0217	36.0217	NUM
eurjchem-1920	170	21	34.4972	34.4972	NUM
eurjchem-1920	170	22	162.4022	162.4022	NUM
eurjchem-1920	170	23	37.3614	37.3614	NUM
eurjchem-1920	170	24	35.673	35.673	NUM
eurjchem-1920	170	25	rms	rm	NOUN
eurjchem-1920	170	26	146.3035	146.3035	NUM
eurjchem-1920	170	27	34.4368	34.4368	NUM
eurjchem-1920	170	28	33.3818	33.3818	NUM
eurjchem-1920	170	29	138.9225	138.9225	NUM
eurjchem-1920	170	30	35.5478	35.5478	NUM
eurjchem-1920	170	31	34.3323	34.3323	NUM
eurjchem-1920	170	32	scaling	scaling	NOUN
eurjchem-1920	170	33	factor	factor	NOUN
eurjchem-1920	170	34	1.000	1.000	NUM
eurjchem-1920	170	35	0.8992	0.8992	NUM
eurjchem-1920	170	36	0.8928	0.8928	NUM
eurjchem-1920	170	37	1.000	1.000	NUM
eurjchem-1920	170	38	0.9051	0.9051	NUM
eurjchem-1920	170	39	0.8981	0.8981	NUM
eurjchem-1920	170	40	method	method	NOUN
eurjchem-1920	170	41	mpw1pw	mpw1pw	PROPN
eurjchem-1920	170	42	mpw1pw×sf	mpw1pw×sf	PROPN
eurjchem-1920	170	43	mpw1pw×csf	mpw1pw×csf	PROPN
eurjchem-1920	171	1	mpw1pw	mpw1pw	PROPN
eurjchem-1920	171	2	mpw1pw×sf	mpw1pw×sf	PROPN
eurjchem-1920	171	3	mpw1pw×csf	mpw1pw×csf	PROPN
eurjchem-1920	171	4	basis	basis	NOUN
eurjchem-1920	171	5	set	set	VERB
eurjchem-1920	171	6	6	6	NUM
eurjchem-1920	171	7	-	-	SYM
eurjchem-1920	171	8	31g(d	31g(d	NUM
eurjchem-1920	171	9	,	,	PUNCT
eurjchem-1920	171	10	p	p	NOUN
eurjchem-1920	171	11	)	)	PUNCT
eurjchem-1920	171	12	6	6	NUM
eurjchem-1920	171	13	-	-	SYM
eurjchem-1920	171	14	311g(d	311g(d	NUM
eurjchem-1920	171	15	,	,	PUNCT
eurjchem-1920	171	16	p	p	NOUN
eurjchem-1920	171	17	)	)	PUNCT
eurjchem-1920	171	18	r	r	NOUN
eurjchem-1920	171	19	0.9997	0.9997	NUM
eurjchem-1920	171	20	0.9997	0.9997	NUM
eurjchem-1920	171	21	0.9997	0.9997	NUM
eurjchem-1920	171	22	0.9997	0.9997	NUM
eurjchem-1920	171	23	0.9997	0.9997	NUM
eurjchem-1920	171	24	0.9997	0.9997	NUM
eurjchem-1920	171	25	mean	mean	VERB
eurjchem-1920	171	26	absolute	absolute	ADJ
eurjchem-1920	171	27	percentage	percentage	NOUN
eurjchem-1920	171	28	error	error	NOUN
eurjchem-1920	171	29	5.8816	5.8816	NUM
eurjchem-1920	171	30	0.8467	0.8467	NUM
eurjchem-1920	171	31	0.7881	0.7881	NUM
eurjchem-1920	172	1	5.5286	5.5286	NUM
eurjchem-1920	172	2	1.1156	1.1156	NUM
eurjchem-1920	172	3	0.9195	0.9195	NUM
eurjchem-1920	172	4	mean	mean	NOUN
eurjchem-1920	172	5	absolute	absolute	ADJ
eurjchem-1920	172	6	error	error	NOUN
eurjchem-1920	172	7	75.9789	75.9789	NUM
eurjchem-1920	172	8	10.3949	10.3949	NUM
eurjchem-1920	172	9	10.5058	10.5058	NUM
eurjchem-1920	172	10	69.7615	69.7615	NUM
eurjchem-1920	172	11	12.1907	12.1907	NUM
eurjchem-1920	172	12	11.5181	11.5181	NUM
eurjchem-1920	172	13	rms	rm	NOUN
eurjchem-1920	172	14	67.5244	67.5244	NUM
eurjchem-1920	172	15	14.5200	14.5200	NUM
eurjchem-1920	172	16	14.1232	14.1232	NUM
eurjchem-1920	172	17	61.3765	61.3765	NUM
eurjchem-1920	172	18	15.8572	15.8572	NUM
eurjchem-1920	172	19	14.8462	14.8462	NUM
eurjchem-1920	172	20	scaling	scaling	NOUN
eurjchem-1920	172	21	factor	factor	NOUN
eurjchem-1920	172	22	1.000	1.000	NUM
eurjchem-1920	172	23	0.9500	0.9500	NUM
eurjchem-1920	172	24	0.9473	0.9473	NUM
eurjchem-1920	172	25	1.000	1.000	NUM
eurjchem-1920	172	26	0.9567	0.9567	NUM
eurjchem-1920	172	27	0.9522	0.9522	NUM
eurjchem-1920	172	28	*	*	PUNCT
eurjchem-1920	172	29	sf	sf	NOUN
eurjchem-1920	172	30	:	:	PUNCT
eurjchem-1920	172	31	scaling	scale	VERB
eurjchem-1920	172	32	factor	factor	NOUN
eurjchem-1920	172	33	,	,	PUNCT
eurjchem-1920	172	34	csf	csf	PROPN
eurjchem-1920	172	35	:	:	PUNCT
eurjchem-1920	172	36	calculated	calculate	VERB
eurjchem-1920	172	37	scaling	scale	VERB
eurjchem-1920	172	38	factor	factor	NOUN
eurjchem-1920	172	39	in	in	ADP
eurjchem-1920	172	40	this	this	DET
eurjchem-1920	172	41	research	research	NOUN
eurjchem-1920	172	42	.	.	PUNCT
eurjchem-1920	173	1	table	table	NOUN
eurjchem-1920	173	2	4	4	NUM
eurjchem-1920	173	3	.	.	PUNCT
eurjchem-1920	174	1	the	the	DET
eurjchem-1920	174	2	calculated	calculated	ADJ
eurjchem-1920	174	3	thermodynamic	thermodynamic	ADJ
eurjchem-1920	174	4	parameters	parameter	NOUN
eurjchem-1920	174	5	of	of	ADP
eurjchem-1920	174	6	h2lnnn	h2lnnn	NOUN
eurjchem-1920	174	7	molecule	molecule	NOUN
eurjchem-1920	174	8	.	.	PUNCT
eurjchem-1920	175	1	thermodynamic	thermodynamic	ADJ
eurjchem-1920	175	2	parameters	parameter	NOUN
eurjchem-1920	175	3	(	(	PUNCT
eurjchem-1920	175	4	298	298	NUM
eurjchem-1920	175	5	k	k	NOUN
eurjchem-1920	175	6	)	)	PUNCT
eurjchem-1920	175	7	b3lyp	b3lyp	SYM
eurjchem-1920	176	1	b3pw91	b3pw91	NOUN
eurjchem-1920	176	2	blyp	blyp	X
eurjchem-1920	176	3	hf	hf	X
eurjchem-1920	176	4	mpw1pw91	mpw1pw91	PROPN
eurjchem-1920	176	5	6	6	NUM
eurjchem-1920	176	6	-	-	SYM
eurjchem-1920	176	7	31	31	NUM
eurjchem-1920	176	8	6	6	NUM
eurjchem-1920	176	9	-	-	SYM
eurjchem-1920	176	10	311	311	NUM
eurjchem-1920	176	11	6	6	NUM
eurjchem-1920	176	12	-	-	SYM
eurjchem-1920	176	13	31	31	NUM
eurjchem-1920	176	14	6	6	NUM
eurjchem-1920	176	15	-	-	SYM
eurjchem-1920	176	16	311	311	NUM
eurjchem-1920	176	17	6	6	NUM
eurjchem-1920	176	18	-	-	SYM
eurjchem-1920	176	19	31	31	NUM
eurjchem-1920	176	20	6	6	NUM
eurjchem-1920	176	21	-	-	SYM
eurjchem-1920	176	22	311	311	NUM
eurjchem-1920	176	23	6	6	NUM
eurjchem-1920	176	24	-	-	SYM
eurjchem-1920	176	25	31	31	NUM
eurjchem-1920	176	26	6	6	NUM
eurjchem-1920	176	27	-	-	SYM
eurjchem-1920	176	28	311	311	NUM
eurjchem-1920	176	29	6	6	NUM
eurjchem-1920	176	30	-	-	SYM
eurjchem-1920	176	31	31	31	NUM
eurjchem-1920	176	32	6	6	NUM
eurjchem-1920	176	33	-	-	SYM
eurjchem-1920	176	34	311	311	NUM
eurjchem-1920	176	35	scf	scf	PROPN
eurjchem-1920	176	36	energy	energy	NOUN
eurjchem-1920	176	37	(	(	PUNCT
eurjchem-1920	176	38	a.u	a.u	PROPN
eurjchem-1920	176	39	.	.	PUNCT
eurjchem-1920	176	40	)	)	PUNCT
eurjchem-1920	177	1	-5223.60	-5223.60	PROPN
eurjchem-1920	177	2	-5224.10	-5224.10	PUNCT
eurjchem-1920	178	1	-5222.71	-5222.71	PROPN
eurjchem-1920	178	2	-5223.19	-5223.19	PUNCT
eurjchem-1920	178	3	-5223.10	-5223.10	NUM
eurjchem-1920	178	4	-5223.64	-5223.64	X
eurjchem-1920	178	5	-5210.66	-5210.66	PUNCT
eurjchem-1920	178	6	-5211.10	-5211.10	NOUN
eurjchem-1920	178	7	-5223.43	-5223.43	PROPN
eurjchem-1920	178	8	-5223.90	-5223.90	PROPN
eurjchem-1920	178	9	total	total	ADJ
eurjchem-1920	178	10	energy	energy	NOUN
eurjchem-1920	178	11	(	(	PUNCT
eurjchem-1920	178	12	thermal	thermal	ADJ
eurjchem-1920	178	13	)	)	PUNCT
eurjchem-1920	178	14	etotal	etotal	NOUN
eurjchem-1920	178	15	(	(	PUNCT
eurjchem-1920	178	16	kcal	kcal	PROPN
eurjchem-1920	178	17	/	/	SYM
eurjchem-1920	178	18	mol	mol	PROPN
eurjchem-1920	178	19	)	)	PUNCT
eurjchem-1920	178	20	183.157	183.157	NUM
eurjchem-1920	178	21	182.462	182.462	NUM
eurjchem-1920	178	22	183.993	183.993	NUM
eurjchem-1920	178	23	183.366	183.366	NUM
eurjchem-1920	178	24	177.481	177.481	NUM
eurjchem-1920	178	25	176.826	176.826	NUM
eurjchem-1920	178	26	195.475	195.475	NUM
eurjchem-1920	178	27	194.548	194.548	NUM
eurjchem-1920	178	28	185.283	185.283	NUM
eurjchem-1920	178	29	184.630	184.630	NUM
eurjchem-1920	178	30	entropy	entropy	NOUN
eurjchem-1920	178	31	,	,	PUNCT
eurjchem-1920	178	32	s	s	PART
eurjchem-1920	178	33	(	(	PUNCT
eurjchem-1920	178	34	cal	cal	PROPN
eurjchem-1920	178	35	/	/	SYM
eurjchem-1920	178	36	mol.k	mol.k	NOUN
eurjchem-1920	178	37	)	)	PUNCT
eurjchem-1920	178	38	214.608	214.608	NUM
eurjchem-1920	178	39	215.056	215.056	NUM
eurjchem-1920	178	40	213.907	213.907	NUM
eurjchem-1920	178	41	214.285	214.285	NUM
eurjchem-1920	178	42	219.796	219.796	NUM
eurjchem-1920	178	43	221.013	221.013	NUM
eurjchem-1920	178	44	204.953	204.953	NUM
eurjchem-1920	178	45	205.177	205.177	NUM
eurjchem-1920	178	46	212.368	212.368	NUM
eurjchem-1920	178	47	213.090	213.090	NUM
eurjchem-1920	178	48	vibrational	vibrational	ADJ
eurjchem-1920	178	49	energy	energy	NOUN
eurjchem-1920	178	50	,	,	PUNCT
eurjchem-1920	178	51	evib	evib	ADV
eurjchem-1920	178	52	(	(	PUNCT
eurjchem-1920	178	53	kcal	kcal	NOUN
eurjchem-1920	178	54	/	/	SYM
eurjchem-1920	178	55	mol	mol	NOUN
eurjchem-1920	178	56	)	)	PUNCT
eurjchem-1920	178	57	181.379	181.379	NUM
eurjchem-1920	178	58	180.685	180.685	NUM
eurjchem-1920	179	1	182.216	182.216	NUM
eurjchem-1920	179	2	181.588	181.588	NUM
eurjchem-1920	179	3	175.704	175.704	NUM
eurjchem-1920	179	4	175.048	175.048	NUM
eurjchem-1920	179	5	193.697	193.697	NUM
eurjchem-1920	179	6	192.770	192.770	NUM
eurjchem-1920	179	7	183.506	183.506	NUM
eurjchem-1920	179	8	182.852	182.852	NUM
eurjchem-1920	179	9	zero	zero	NUM
eurjchem-1920	179	10	-	-	PUNCT
eurjchem-1920	179	11	point	point	NOUN
eurjchem-1920	179	12	vib	vib	PROPN
eurjchem-1920	179	13	.	.	PUNCT
eurjchem-1920	179	14	energy	energy	PROPN
eurjchem-1920	179	15	,	,	PUNCT
eurjchem-1920	179	16	eo	eo	PROPN
eurjchem-1920	179	17	(	(	PUNCT
eurjchem-1920	179	18	kcal	kcal	PROPN
eurjchem-1920	179	19	/	/	SYM
eurjchem-1920	179	20	mol	mol	NOUN
eurjchem-1920	179	21	)	)	PUNCT
eurjchem-1920	179	22	162.761	162.761	NUM
eurjchem-1920	179	23	162.034	162.034	NUM
eurjchem-1920	179	24	163.702	163.702	NUM
eurjchem-1920	179	25	163.060	163.060	NUM
eurjchem-1920	179	26	156.360	156.360	NUM
eurjchem-1920	179	27	155.648	155.648	NUM
eurjchem-1920	179	28	176.359	176.359	NUM
eurjchem-1920	179	29	175.390	175.390	NUM
eurjchem-1920	179	30	165.152	165.152	NUM
eurjchem-1920	179	31	164.478	164.478	NUM
eurjchem-1920	179	32	rotational	rotational	ADJ
eurjchem-1920	179	33	constant	constant	ADJ
eurjchem-1920	179	34	(	(	PUNCT
eurjchem-1920	179	35	ghz	ghz	NOUN
eurjchem-1920	179	36	)	)	PUNCT
eurjchem-1920	179	37	a	a	DET
eurjchem-1920	179	38	0.09533	0.09533	NUM
eurjchem-1920	179	39	0.09686	0.09686	NUM
eurjchem-1920	179	40	0.09607	0.09607	NUM
eurjchem-1920	180	1	0.09805	0.09805	NUM
eurjchem-1920	180	2	0.09284	0.09284	NUM
eurjchem-1920	180	3	0.09397	0.09397	NUM
eurjchem-1920	180	4	0.09843	0.09843	NUM
eurjchem-1920	180	5	0.09881	0.09881	NUM
eurjchem-1920	180	6	0.09669	0.09669	NUM
eurjchem-1920	180	7	0.09864	0.09864	NUM
eurjchem-1920	180	8	b	b	NOUN
eurjchem-1920	180	9	0.08906	0.08906	NUM
eurjchem-1920	180	10	0.08832	0.08832	NUM
eurjchem-1920	180	11	0.08969	0.08969	NUM
eurjchem-1920	180	12	0.08941	0.08941	NUM
eurjchem-1920	180	13	0.08699	0.08699	NUM
eurjchem-1920	180	14	0.08610	0.08610	NUM
eurjchem-1920	180	15	0.08721	0.08721	NUM
eurjchem-1920	180	16	0.08757	0.08757	NUM
eurjchem-1920	180	17	0.09082	0.09082	NUM
eurjchem-1920	180	18	0.09047	0.09047	NUM
eurjchem-1920	180	19	c	c	NOUN
eurjchem-1920	180	20	0.06626	0.06626	NUM
eurjchem-1920	180	21	0.06592	0.06592	NUM
eurjchem-1920	180	22	0.06671	0.06671	NUM
eurjchem-1920	180	23	0.06660	0.06660	NUM
eurjchem-1920	180	24	0.06474	0.06474	NUM
eurjchem-1920	180	25	0.06428	0.06428	NUM
eurjchem-1920	180	26	0.06441	0.06441	NUM
eurjchem-1920	180	27	0.06481	0.06481	NUM
eurjchem-1920	180	28	0.06754	0.06754	NUM
eurjchem-1920	180	29	0.06733	0.06733	NUM
eurjchem-1920	180	30	dipole	dipole	NOUN
eurjchem-1920	180	31	moment	moment	NOUN
eurjchem-1920	180	32	(	(	PUNCT
eurjchem-1920	180	33	debye	debye	ADV
eurjchem-1920	180	34	)	)	PUNCT
eurjchem-1920	180	35	µx	µx	VERB
eurjchem-1920	180	36	-0.7187	-0.7187	NOUN
eurjchem-1920	180	37	-0.7558	-0.7558	PUNCT
eurjchem-1920	180	38	-0.7122	-0.7122	PROPN
eurjchem-1920	181	1	-0.7230	-0.7230	PROPN
eurjchem-1920	182	1	-0.6796	-0.6796	PROPN
eurjchem-1920	182	2	-0.6568	-0.6568	PROPN
eurjchem-1920	183	1	-1.2741	-1.2741	PROPN
eurjchem-1920	183	2	-1.1995	-1.1995	PROPN
eurjchem-1920	184	1	-0.6052	-0.6052	PROPN
eurjchem-1920	184	2	-0.6577	-0.6577	PROPN
eurjchem-1920	184	3	µy	µy	VERB
eurjchem-1920	184	4	1.3092	1.3092	NUM
eurjchem-1920	184	5	1.4144	1.4144	NUM
eurjchem-1920	184	6	1.2573	1.2573	NUM
eurjchem-1920	184	7	1.2338	1.2338	NUM
eurjchem-1920	184	8	1.4447	1.4447	NUM
eurjchem-1920	184	9	1.6122	1.6122	NUM
eurjchem-1920	184	10	1.3005	1.3005	NUM
eurjchem-1920	184	11	1.3091	1.3091	NUM
eurjchem-1920	184	12	1.2777	1.2777	NUM
eurjchem-1920	184	13	1.2135	1.2135	NUM
eurjchem-1920	184	14	µz	µz	PROPN
eurjchem-1920	184	15	4.2015	4.2015	NUM
eurjchem-1920	184	16	4.1790	4.1790	NUM
eurjchem-1920	184	17	4.2092	4.2092	NUM
eurjchem-1920	184	18	4.0901	4.0901	NUM
eurjchem-1920	184	19	4.3433	4.3433	NUM
eurjchem-1920	184	20	4.3486	4.3486	NUM
eurjchem-1920	185	1	3.2937	3.2937	NUM
eurjchem-1920	185	2	3.4107	3.4107	NUM
eurjchem-1920	185	3	4.2370	4.2370	NUM
eurjchem-1920	185	4	4.1058	4.1058	NUM
eurjchem-1920	185	5	µtotal	µtotal	ADJ
eurjchem-1920	185	6	4.4590	4.4590	NUM
eurjchem-1920	185	7	4.4761	4.4761	NUM
eurjchem-1920	185	8	4.4503	4.4503	NUM
eurjchem-1920	185	9	4.3329	4.3329	NUM
eurjchem-1920	185	10	4.6274	4.6274	NUM
eurjchem-1920	185	11	4.6841	4.6841	NUM
eurjchem-1920	185	12	3.7634	3.7634	NUM
eurjchem-1920	185	13	3.8452	3.8452	NUM
eurjchem-1920	185	14	4.4666	4.4666	NUM
eurjchem-1920	185	15	4.3316	4.3316	NUM
eurjchem-1920	185	16	entropy	entropy	NOUN
eurjchem-1920	185	17	(	(	PUNCT
eurjchem-1920	185	18	cal	cal	PROPN
eurjchem-1920	185	19	/	/	SYM
eurjchem-1920	185	20	mol.k	mol.k	NOUN
eurjchem-1920	185	21	)	)	PUNCT
eurjchem-1920	185	22	total	total	VERB
eurjchem-1920	185	23	214.608	214.608	NUM
eurjchem-1920	185	24	215.056	215.056	NUM
eurjchem-1920	185	25	213.907	213.907	NUM
eurjchem-1920	185	26	214.285	214.285	NUM
eurjchem-1920	185	27	219.796	219.796	NUM
eurjchem-1920	185	28	221.013	221.013	NUM
eurjchem-1920	185	29	204.953	204.953	NUM
eurjchem-1920	185	30	205.177	205.177	NUM
eurjchem-1920	185	31	212.368	212.368	NUM
eurjchem-1920	185	32	213.090	213.090	NUM
eurjchem-1920	185	33	translational	translational	ADJ
eurjchem-1920	185	34	45.208	45.208	NUM
eurjchem-1920	185	35	45.208	45.208	NUM
eurjchem-1920	185	36	45.208	45.208	NUM
eurjchem-1920	185	37	45.208	45.208	NUM
eurjchem-1920	185	38	45.208	45.208	NUM
eurjchem-1920	185	39	45.208	45.208	NUM
eurjchem-1920	185	40	45.208	45.208	NUM
eurjchem-1920	185	41	45.208	45.208	NUM
eurjchem-1920	185	42	45.208	45.208	NUM
eurjchem-1920	185	43	45.208	45.208	NUM
eurjchem-1920	185	44	rotational	rotational	ADJ
eurjchem-1920	185	45	37.589	37.589	NUM
eurjchem-1920	185	46	37.586	37.586	NUM
eurjchem-1920	185	47	37.567	37.567	NUM
eurjchem-1920	185	48	37.552	37.552	NUM
eurjchem-1920	185	49	37.661	37.661	NUM
eurjchem-1920	185	50	37.667	37.667	NUM
eurjchem-1920	185	51	37.606	37.606	NUM
eurjchem-1920	185	52	37.592	37.592	NUM
eurjchem-1920	185	53	37.536	37.536	NUM
eurjchem-1920	185	54	37.523	37.523	NUM
eurjchem-1920	185	55	vibrational	vibrational	ADJ
eurjchem-1920	185	56	131.811	131.811	NUM
eurjchem-1920	185	57	132.262	132.262	NUM
eurjchem-1920	185	58	131.132	131.132	NUM
eurjchem-1920	185	59	131.525	131.525	NUM
eurjchem-1920	185	60	136.927	136.927	NUM
eurjchem-1920	185	61	138.139	138.139	NUM
eurjchem-1920	185	62	122.139	122.139	NUM
eurjchem-1920	185	63	122.377	122.377	NUM
eurjchem-1920	185	64	129.623	129.623	NUM
eurjchem-1920	185	65	130.358	130.358	NUM
eurjchem-1920	185	66	*	*	SYM
eurjchem-1920	185	67	6	6	NUM
eurjchem-1920	185	68	-	-	SYM
eurjchem-1920	185	69	31	31	NUM
eurjchem-1920	185	70	:	:	PUNCT
eurjchem-1920	185	71	6	6	NUM
eurjchem-1920	185	72	-	-	SYM
eurjchem-1920	185	73	31g(d	31g(d	NUM
eurjchem-1920	185	74	,	,	PUNCT
eurjchem-1920	185	75	p	p	NOUN
eurjchem-1920	185	76	)	)	PUNCT
eurjchem-1920	185	77	;	;	PUNCT
eurjchem-1920	185	78	6	6	NUM
eurjchem-1920	185	79	-	-	SYM
eurjchem-1920	185	80	311	311	NUM
eurjchem-1920	185	81	:	:	PUNCT
eurjchem-1920	185	82	6	6	NUM
eurjchem-1920	185	83	-	-	SYM
eurjchem-1920	185	84	311g(d	311g(d	NUM
eurjchem-1920	185	85	,	,	PUNCT
eurjchem-1920	185	86	p	p	NOUN
eurjchem-1920	185	87	)	)	PUNCT
eurjchem-1920	185	88	.	.	PUNCT
eurjchem-1920	186	1	the	the	DET
eurjchem-1920	186	2	3d	3d	PROPN
eurjchem-1920	186	3	di	di	PROPN
eurjchem-1920	186	4	surface	surface	NOUN
eurjchem-1920	186	5	was	be	AUX
eurjchem-1920	186	6	mapped	map	VERB
eurjchem-1920	186	7	using	use	VERB
eurjchem-1920	186	8	0.956	0.956	NUM
eurjchem-1920	186	9	(	(	PUNCT
eurjchem-1920	186	10	red	red	ADJ
eurjchem-1920	186	11	)	)	PUNCT
eurjchem-1920	186	12	-2.976	-2.976	NOUN
eurjchem-1920	186	13	(	(	PUNCT
eurjchem-1920	186	14	blue	blue	ADJ
eurjchem-1920	186	15	)	)	PUNCT
eurjchem-1920	186	16	,	,	PUNCT
eurjchem-1920	186	17	de	de	X
eurjchem-1920	186	18	surface	surface	NOUN
eurjchem-1920	186	19	0.957	0.957	NUM
eurjchem-1920	186	20	(	(	PUNCT
eurjchem-1920	186	21	red	red	ADJ
eurjchem-1920	186	22	)	)	PUNCT
eurjchem-1920	186	23	-2.977	-2.977	PROPN
eurjchem-1920	186	24	(	(	PUNCT
eurjchem-1920	186	25	blue	blue	NOUN
eurjchem-1920	186	26	)	)	PUNCT
eurjchem-1920	186	27	,	,	PUNCT
eurjchem-1920	186	28	and	and	CCONJ
eurjchem-1920	186	29	the	the	DET
eurjchem-1920	186	30	dnorm	dnorm	NOUN
eurjchem-1920	186	31	surface	surface	NOUN
eurjchem-1920	186	32	-0.285	-0.285	PUNCT
eurjchem-1920	186	33	(	(	PUNCT
eurjchem-1920	186	34	red	red	PROPN
eurjchem-1920	186	35	)	)	PUNCT
eurjchem-1920	186	36	-1.582	-1.582	PUNCT
eurjchem-1920	186	37	(	(	PUNCT
eurjchem-1920	186	38	blue	blue	ADJ
eurjchem-1920	186	39	)	)	PUNCT
eurjchem-1920	186	40	using	use	VERB
eurjchem-1920	186	41	fixed	fix	VERB
eurjchem-1920	186	42	color	color	NOUN
eurjchem-1920	186	43	scales	scale	NOUN
eurjchem-1920	186	44	(	(	PUNCT
eurjchem-1920	186	45	figure	figure	NOUN
eurjchem-1920	186	46	3	3	NUM
eurjchem-1920	186	47	)	)	PUNCT
eurjchem-1920	187	1	[	[	X
eurjchem-1920	187	2	21,46	21,46	NOUN
eurjchem-1920	187	3	]	]	X
eurjchem-1920	187	4	.	.	PUNCT
eurjchem-1920	188	1	the	the	DET
eurjchem-1920	188	2	dnorm	dnorm	NOUN
eurjchem-1920	188	3	is	be	AUX
eurjchem-1920	188	4	a	a	DET
eurjchem-1920	188	5	ratio	ratio	NOUN
eurjchem-1920	188	6	encompassing	encompass	VERB
eurjchem-1920	188	7	the	the	DET
eurjchem-1920	188	8	distances	distance	NOUN
eurjchem-1920	188	9	of	of	ADP
eurjchem-1920	188	10	any	any	DET
eurjchem-1920	188	11	surface	surface	NOUN
eurjchem-1920	188	12	point	point	NOUN
eurjchem-1920	188	13	to	to	ADP
eurjchem-1920	188	14	the	the	DET
eurjchem-1920	188	15	nearest	near	ADJ
eurjchem-1920	188	16	interior	interior	ADJ
eurjchem-1920	188	17	(	(	PUNCT
eurjchem-1920	188	18	di	di	NOUN
eurjchem-1920	188	19	)	)	PUNCT
eurjchem-1920	188	20	and	and	CCONJ
eurjchem-1920	188	21	exterior	exterior	ADJ
eurjchem-1920	188	22	(	(	PUNCT
eurjchem-1920	188	23	de	de	NOUN
eurjchem-1920	188	24	)	)	PUNCT
eurjchem-1920	188	25	atom	atom	NOUN
eurjchem-1920	188	26	and	and	CCONJ
eurjchem-1920	188	27	the	the	DET
eurjchem-1920	188	28	van	van	PROPN
eurjchem-1920	188	29	der	der	NOUN
eurjchem-1920	188	30	waals	waal	NOUN
eurjchem-1920	188	31	(	(	PUNCT
eurjchem-1920	188	32	vdw	vdw	NOUN
eurjchem-1920	188	33	)	)	PUNCT
eurjchem-1920	188	34	radii	radius	NOUN
eurjchem-1920	188	35	of	of	ADP
eurjchem-1920	188	36	the	the	DET
eurjchem-1920	188	37	atoms	atom	NOUN
eurjchem-1920	188	38	and	and	CCONJ
eurjchem-1920	188	39	calculated	calculate	VERB
eurjchem-1920	188	40	using	use	VERB
eurjchem-1920	188	41	equation	equation	NOUN
eurjchem-1920	188	42	(	(	PUNCT
eurjchem-1920	188	43	2	2	NUM
eurjchem-1920	188	44	)	)	PUNCT
eurjchem-1920	189	1	[	[	X
eurjchem-1920	189	2	21,40,46	21,40,46	NUM
eurjchem-1920	189	3	-	-	SYM
eurjchem-1920	189	4	48	48	NUM
eurjchem-1920	189	5	]	]	PUNCT
eurjchem-1920	189	6	.	.	PUNCT
eurjchem-1920	190	1	vdwvdw	vdwvdw	PROPN
eurjchem-1920	190	2	e	e	X
eurjchem-1920	190	3	ei	ei	X
eurjchem-1920	190	4	i	i	PRON
eurjchem-1920	190	5	norm	norm	VERB
eurjchem-1920	190	6	vdw	vdw	NOUN
eurjchem-1920	190	7	vdw	vdw	NOUN
eurjchem-1920	191	1	i	i	PRON
eurjchem-1920	191	2	e	e	PROPN
eurjchem-1920	191	3	d	d	PROPN
eurjchem-1920	191	4	rd	rd	PROPN
eurjchem-1920	191	5	rd	rd	NOUN
eurjchem-1920	191	6	r	r	NOUN
eurjchem-1920	191	7	r	r	NOUN
eurjchem-1920	191	8	mm	mm	NOUN
eurjchem-1920	191	9	=	=	SYM
eurjchem-1920	192	1	+	+	CCONJ
eurjchem-1920	192	2	(	(	PUNCT
eurjchem-1920	192	3	2	2	NUM
eurjchem-1920	192	4	)	)	PUNCT
eurjchem-1920	192	5	where	where	SCONJ
eurjchem-1920	192	6	,	,	PUNCT
eurjchem-1920	192	7	vdw	vdw	PROPN
eurjchem-1920	192	8	ir	ir	PROPN
eurjchem-1920	192	9	and	and	CCONJ
eurjchem-1920	192	10	vdw	vdw	PROPN
eurjchem-1920	192	11	er	er	INTJ
eurjchem-1920	192	12	are	be	AUX
eurjchem-1920	192	13	the	the	DET
eurjchem-1920	192	14	vdw	vdw	NOUN
eurjchem-1920	192	15	radii	radius	NOUN
eurjchem-1920	192	16	of	of	ADP
eurjchem-1920	192	17	the	the	DET
eurjchem-1920	192	18	atoms	atom	NOUN
eurjchem-1920	192	19	.	.	PUNCT
eurjchem-1920	193	1	feature	feature	NOUN
eurjchem-1920	193	2	dnorm	dnorm	NOUN
eurjchem-1920	193	3	is	be	AUX
eurjchem-1920	193	4	generally	generally	ADV
eurjchem-1920	193	5	visualized	visualize	VERB
eurjchem-1920	193	6	as	as	ADP
eurjchem-1920	193	7	a	a	DET
eurjchem-1920	193	8	color	color	NOUN
eurjchem-1920	193	9	range	range	NOUN
eurjchem-1920	193	10	from	from	ADP
eurjchem-1920	193	11	red	red	ADJ
eurjchem-1920	193	12	(	(	PUNCT
eurjchem-1920	193	13	dnorm	dnorm	X
eurjchem-1920	193	14	<	<	X
eurjchem-1920	193	15	0	0	NUM
eurjchem-1920	193	16	)	)	PUNCT
eurjchem-1920	193	17	,	,	PUNCT
eurjchem-1920	193	18	if	if	SCONJ
eurjchem-1920	193	19	the	the	DET
eurjchem-1920	193	20	distance	distance	NOUN
eurjchem-1920	193	21	between	between	ADP
eurjchem-1920	193	22	interacting	interact	VERB
eurjchem-1920	193	23	atoms	atom	NOUN
eurjchem-1920	193	24	is	be	AUX
eurjchem-1920	193	25	less	less	ADJ
eurjchem-1920	193	26	than	than	ADP
eurjchem-1920	193	27	a	a	DET
eurjchem-1920	193	28	sum	sum	NOUN
eurjchem-1920	193	29	of	of	ADP
eurjchem-1920	193	30	vdw	vdw	NOUN
eurjchem-1920	193	31	radii	radii	VERB
eurjchem-1920	193	32	,	,	PUNCT
eurjchem-1920	193	33	through	through	ADP
eurjchem-1920	193	34	white	white	ADJ
eurjchem-1920	193	35	(	(	PUNCT
eurjchem-1920	193	36	dnorm	dnorm	NOUN
eurjchem-1920	193	37	=	=	SYM
eurjchem-1920	193	38	0	0	NUM
eurjchem-1920	193	39	)	)	PUNCT
eurjchem-1920	193	40	to	to	ADP
eurjchem-1920	193	41	blue	blue	NOUN
eurjchem-1920	193	42	(	(	PUNCT
eurjchem-1920	193	43	dnorm	dnorm	X
eurjchem-1920	193	44	>	>	X
eurjchem-1920	193	45	0	0	NUM
eurjchem-1920	193	46	)	)	PUNCT
eurjchem-1920	193	47	.	.	PUNCT
eurjchem-1920	194	1	2019	2019	NUM
eurjchem-1920	194	2	–	–	PUNCT
eurjchem-1920	194	3	european	european	ADJ
eurjchem-1920	194	4	journal	journal	NOUN
eurjchem-1920	194	5	of	of	ADP
eurjchem-1920	194	6	chemistry	chemistry	NOUN
eurjchem-1920	194	7	–	–	PUNCT
eurjchem-1920	194	8	cc	cc	NOUN
eurjchem-1920	194	9	by	by	ADP
eurjchem-1920	194	10	nc	nc	PROPN
eurjchem-1920	194	11	–	–	PUNCT
eurjchem-1920	194	12	doi	doi	NOUN
eurjchem-1920	194	13	:	:	PUNCT
eurjchem-1920	194	14	10.5155	10.5155	NUM
eurjchem-1920	194	15	/	/	SYM
eurjchem-1920	194	16	eurjchem.10.4.323	eurjchem.10.4.323	NOUN
eurjchem-1920	194	17	-	-	SYM
eurjchem-1920	194	18	335.1920	335.1920	NUM
eurjchem-1920	194	19	aydogdu	aydogdu	NOUN
eurjchem-1920	194	20	et	et	PROPN
eurjchem-1920	194	21	al	al	PROPN
eurjchem-1920	194	22	.	.	PUNCT
eurjchem-1920	194	23	/	/	SYM
eurjchem-1920	194	24	european	european	PROPN
eurjchem-1920	194	25	journal	journal	PROPN
eurjchem-1920	194	26	of	of	ADP
eurjchem-1920	194	27	chemistry	chemistry	NOUN
eurjchem-1920	194	28	10	10	NUM
eurjchem-1920	194	29	(	(	PUNCT
eurjchem-1920	194	30	4	4	NUM
eurjchem-1920	194	31	)	)	PUNCT
eurjchem-1920	194	32	(	(	PUNCT
eurjchem-1920	194	33	2019	2019	NUM
eurjchem-1920	194	34	)	)	PUNCT
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eurjchem-1920	230	24	0.0475	0.0475	NUM
eurjchem-1920	230	25	0.0439	0.0439	NUM
eurjchem-1920	230	26	0.0555	0.0555	NUM
eurjchem-1920	230	27	0.0492	0.0492	NUM
eurjchem-1920	230	28	0.0433	0.0433	NUM
eurjchem-1920	230	29	0.0442	0.0442	NUM
eurjchem-1920	230	30	0.0399	0.0399	NUM
eurjchem-1920	230	31	0.0263	0.0263	NUM
eurjchem-1920	230	32	0.0570	0.0570	NUM
eurjchem-1920	230	33	0.0494	0.0494	NUM
eurjchem-1920	230	34	cl28	cl28	PROPN
eurjchem-1920	230	35	0.0378	0.0378	NUM
eurjchem-1920	230	36	0.0369	0.0369	NUM
eurjchem-1920	230	37	0.0458	0.0458	NUM
eurjchem-1920	230	38	0.0424	0.0424	NUM
eurjchem-1920	230	39	0.0339	0.0339	NUM
eurjchem-1920	230	40	0.0365	0.0365	NUM
eurjchem-1920	230	41	0.0392	0.0392	NUM
eurjchem-1920	230	42	0.0258	0.0258	NUM
eurjchem-1920	230	43	0.0463	0.0463	NUM
eurjchem-1920	230	44	0.0418	0.0418	NUM
eurjchem-1920	230	45	cl29	cl29	PROPN
eurjchem-1920	230	46	0.0884	0.0884	NUM
eurjchem-1920	230	47	0.0824	0.0824	NUM
eurjchem-1920	230	48	0.0953	0.0953	NUM
eurjchem-1920	230	49	0.0869	0.0869	NUM
eurjchem-1920	230	50	0.0911	0.0911	NUM
eurjchem-1920	230	51	0.0892	0.0892	NUM
eurjchem-1920	230	52	0.0704	0.0704	NUM
eurjchem-1920	230	53	0.0571	0.0571	NUM
eurjchem-1920	230	54	0.0956	0.0956	NUM
eurjchem-1920	230	55	0.0862	0.0862	NUM
eurjchem-1920	230	56	cl30	cl30	PROPN
eurjchem-1920	230	57	0.0331	0.0331	NUM
eurjchem-1920	230	58	0.0260	0.0260	NUM
eurjchem-1920	230	59	0.0416	0.0416	NUM
eurjchem-1920	230	60	0.0324	0.0324	NUM
eurjchem-1920	230	61	0.0228	0.0228	NUM
eurjchem-1920	230	62	0.0204	0.0204	NUM
eurjchem-1920	230	63	0.0261	0.0261	NUM
eurjchem-1920	230	64	0.0116	0.0116	NUM
eurjchem-1920	230	65	0.0448	0.0448	NUM
eurjchem-1920	230	66	0.0342	0.0342	NUM
eurjchem-1920	230	67	cl31	cl31	PROPN
eurjchem-1920	230	68	0.0581	0.0581	NUM
eurjchem-1920	231	1	0.0564	0.0564	NUM
eurjchem-1920	231	2	0.0672	0.0672	NUM
eurjchem-1920	231	3	0.0636	0.0636	NUM
eurjchem-1920	231	4	0.0532	0.0532	NUM
eurjchem-1920	231	5	0.0556	0.0556	NUM
eurjchem-1920	231	6	0.0499	0.0499	NUM
eurjchem-1920	231	7	0.0395	0.0395	NUM
eurjchem-1920	231	8	0.0686	0.0686	NUM
eurjchem-1920	231	9	0.0639	0.0639	NUM
eurjchem-1920	232	1	cl32	cl32	PROPN
eurjchem-1920	232	2	0.0337	0.0337	NUM
eurjchem-1920	232	3	0.0330	0.0330	NUM
eurjchem-1920	232	4	0.0423	0.0423	NUM
eurjchem-1920	232	5	0.0389	0.0389	NUM
eurjchem-1920	232	6	0.0261	0.0261	NUM
eurjchem-1920	232	7	0.0299	0.0299	NUM
eurjchem-1920	232	8	0.0387	0.0387	NUM
eurjchem-1920	232	9	0.0269	0.0269	NUM
eurjchem-1920	232	10	0.0437	0.0437	NUM
eurjchem-1920	232	11	0.0390	0.0390	NUM
eurjchem-1920	232	12	cl33	cl33	PROPN
eurjchem-1920	232	13	0.0588	0.0588	NUM
eurjchem-1920	232	14	0.0533	0.0533	NUM
eurjchem-1920	232	15	0.0664	0.0664	NUM
eurjchem-1920	232	16	0.0583	0.0583	NUM
eurjchem-1920	232	17	0.0568	0.0568	NUM
eurjchem-1920	232	18	0.0560	0.0560	NUM
eurjchem-1920	232	19	0.0475	0.0475	NUM
eurjchem-1920	232	20	0.0340	0.0340	NUM
eurjchem-1920	232	21	0.0679	0.0679	NUM
eurjchem-1920	232	22	0.0586	0.0586	NUM
eurjchem-1920	232	23	h34	h34	NOUN
eurjchem-1920	232	24	0.4659	0.4659	NUM
eurjchem-1920	232	25	0.4476	0.4476	NUM
eurjchem-1920	232	26	0.4706	0.4706	NUM
eurjchem-1920	232	27	0.4522	0.4522	NUM
eurjchem-1920	232	28	0.4584	0.4584	NUM
eurjchem-1920	232	29	0.4423	0.4423	NUM
eurjchem-1920	232	30	0.4783	0.4783	NUM
eurjchem-1920	232	31	0.4465	0.4465	NUM
eurjchem-1920	232	32	0.4719	0.4719	NUM
eurjchem-1920	232	33	0.4535	0.4535	NUM
eurjchem-1920	232	34	h35	h35	VERB
eurjchem-1920	232	35	0.2772	0.2772	NUM
eurjchem-1920	232	36	0.2417	0.2417	NUM
eurjchem-1920	232	37	0.2858	0.2858	NUM
eurjchem-1920	232	38	0.2473	0.2473	NUM
eurjchem-1920	232	39	0.2742	0.2742	NUM
eurjchem-1920	232	40	0.2415	0.2415	NUM
eurjchem-1920	232	41	0.2641	0.2641	NUM
eurjchem-1920	232	42	0.2209	0.2209	NUM
eurjchem-1920	232	43	0.2868	0.2868	NUM
eurjchem-1920	232	44	0.2480	0.2480	NUM
eurjchem-1920	232	45	h36	h36	NOUN
eurjchem-1920	232	46	0.2492	0.2492	NUM
eurjchem-1920	232	47	0.2085	0.2085	NUM
eurjchem-1920	232	48	0.2576	0.2576	NUM
eurjchem-1920	232	49	0.2131	0.2131	NUM
eurjchem-1920	232	50	0.2471	0.2471	NUM
eurjchem-1920	232	51	0.2092	0.2092	NUM
eurjchem-1920	232	52	0.2417	0.2417	NUM
eurjchem-1920	232	53	0.1935	0.1935	NUM
eurjchem-1920	232	54	0.2582	0.2582	NUM
eurjchem-1920	232	55	0.2132	0.2132	NUM
eurjchem-1920	232	56	h37	h37	NOUN
eurjchem-1920	232	57	0.2490	0.2490	NUM
eurjchem-1920	232	58	0.2097	0.2097	NUM
eurjchem-1920	232	59	0.2574	0.2574	NUM
eurjchem-1920	232	60	0.2145	0.2145	NUM
eurjchem-1920	232	61	0.2469	0.2469	NUM
eurjchem-1920	232	62	0.2102	0.2102	NUM
eurjchem-1920	232	63	0.2418	0.2418	NUM
eurjchem-1920	232	64	0.1953	0.1953	NUM
eurjchem-1920	232	65	0.2580	0.2580	NUM
eurjchem-1920	232	66	0.2146	0.2146	NUM
eurjchem-1920	232	67	h38	h38	NOUN
eurjchem-1920	232	68	0.2566	0.2566	NUM
eurjchem-1920	232	69	0.2203	0.2203	NUM
eurjchem-1920	232	70	0.2654	0.2654	NUM
eurjchem-1920	232	71	0.2269	0.2269	NUM
eurjchem-1920	232	72	0.2551	0.2551	NUM
eurjchem-1920	232	73	0.2215	0.2215	NUM
eurjchem-1920	232	74	0.2460	0.2460	NUM
eurjchem-1920	232	75	0.2020	0.2020	NUM
eurjchem-1920	232	76	0.2662	0.2662	NUM
eurjchem-1920	232	77	0.2271	0.2271	NUM
eurjchem-1920	232	78	h39	h39	VERB
eurjchem-1920	232	79	0.2607	0.2607	NUM
eurjchem-1920	232	80	0.2256	0.2256	NUM
eurjchem-1920	232	81	0.2698	0.2698	NUM
eurjchem-1920	232	82	0.2319	0.2319	NUM
eurjchem-1920	233	1	0.2583	0.2583	NUM
eurjchem-1920	233	2	0.2258	0.2258	NUM
eurjchem-1920	233	3	0.2540	0.2540	NUM
eurjchem-1920	233	4	0.2115	0.2115	NUM
eurjchem-1920	233	5	0.2705	0.2705	NUM
eurjchem-1920	233	6	0.2321	0.2321	NUM
eurjchem-1920	233	7	h40	h40	NUM
eurjchem-1920	233	8	0.2511	0.2511	NUM
eurjchem-1920	233	9	0.2109	0.2109	NUM
eurjchem-1920	233	10	0.2595	0.2595	NUM
eurjchem-1920	233	11	0.2157	0.2157	NUM
eurjchem-1920	233	12	0.2490	0.2490	NUM
eurjchem-1920	233	13	0.2115	0.2115	NUM
eurjchem-1920	233	14	0.2432	0.2432	NUM
eurjchem-1920	233	15	0.1952	0.1952	NUM
eurjchem-1920	233	16	0.2601	0.2601	NUM
eurjchem-1920	233	17	0.2158	0.2158	NUM
eurjchem-1920	233	18	h41	h41	NOUN
eurjchem-1920	233	19	0.2510	0.2510	NUM
eurjchem-1920	233	20	0.2111	0.2111	NUM
eurjchem-1920	233	21	0.2592	0.2592	NUM
eurjchem-1920	233	22	0.2154	0.2154	NUM
eurjchem-1920	233	23	0.2490	0.2490	NUM
eurjchem-1920	233	24	0.2117	0.2117	NUM
eurjchem-1920	233	25	0.2427	0.2427	NUM
eurjchem-1920	233	26	0.1956	0.1956	NUM
eurjchem-1920	233	27	0.2598	0.2598	NUM
eurjchem-1920	233	28	0.2156	0.2156	NUM
eurjchem-1920	233	29	h42	h42	VERB
eurjchem-1920	233	30	0.2485	0.2485	NUM
eurjchem-1920	233	31	0.2121	0.2121	NUM
eurjchem-1920	233	32	0.2569	0.2569	NUM
eurjchem-1920	233	33	0.2169	0.2169	NUM
eurjchem-1920	233	34	0.2462	0.2462	NUM
eurjchem-1920	233	35	0.2125	0.2125	NUM
eurjchem-1920	233	36	0.2436	0.2436	NUM
eurjchem-1920	233	37	0.1984	0.1984	NUM
eurjchem-1920	233	38	0.2573	0.2573	NUM
eurjchem-1920	233	39	0.2167	0.2167	NUM
eurjchem-1920	233	40	h43	h43	ADJ
eurjchem-1920	233	41	0.4480	0.4480	NUM
eurjchem-1920	233	42	0.4150	0.4150	NUM
eurjchem-1920	233	43	0.4546	0.4546	NUM
eurjchem-1920	233	44	0.4194	0.4194	NUM
eurjchem-1920	233	45	0.4425	0.4425	NUM
eurjchem-1920	233	46	0.4119	0.4119	NUM
eurjchem-1920	233	47	0.4557	0.4557	NUM
eurjchem-1920	233	48	0.4135	0.4135	NUM
eurjchem-1920	233	49	0.4555	0.4555	NUM
eurjchem-1920	233	50	0.4198	0.4198	NUM
eurjchem-1920	233	51	*	*	SYM
eurjchem-1920	233	52	6	6	NUM
eurjchem-1920	233	53	-	-	SYM
eurjchem-1920	233	54	31	31	NUM
eurjchem-1920	233	55	:	:	PUNCT
eurjchem-1920	233	56	6	6	NUM
eurjchem-1920	233	57	-	-	SYM
eurjchem-1920	233	58	31g(d	31g(d	NUM
eurjchem-1920	233	59	,	,	PUNCT
eurjchem-1920	233	60	p	p	NOUN
eurjchem-1920	233	61	)	)	PUNCT
eurjchem-1920	233	62	;	;	PUNCT
eurjchem-1920	233	63	6	6	NUM
eurjchem-1920	233	64	-	-	SYM
eurjchem-1920	233	65	311	311	NUM
eurjchem-1920	233	66	:	:	PUNCT
eurjchem-1920	233	67	6	6	NUM
eurjchem-1920	233	68	-	-	SYM
eurjchem-1920	233	69	311g(d	311g(d	NUM
eurjchem-1920	233	70	,	,	PUNCT
eurjchem-1920	233	71	p	p	NOUN
eurjchem-1920	233	72	)	)	PUNCT
eurjchem-1920	233	73	.	.	PUNCT
eurjchem-1920	234	1	dnorm	dnorm	NOUN
eurjchem-1920	234	2	(	(	PUNCT
eurjchem-1920	234	3	front	front	ADJ
eurjchem-1920	234	4	)	)	PUNCT
eurjchem-1920	234	5	shape	shape	NOUN
eurjchem-1920	234	6	index	index	NOUN
eurjchem-1920	234	7	(	(	PUNCT
eurjchem-1920	234	8	front	front	ADJ
eurjchem-1920	234	9	)	)	PUNCT
eurjchem-1920	234	10	di	di	NOUN
eurjchem-1920	234	11	(	(	PUNCT
eurjchem-1920	234	12	front	front	NOUN
eurjchem-1920	234	13	)	)	PUNCT
eurjchem-1920	234	14	de	de	X
eurjchem-1920	234	15	(	(	PUNCT
eurjchem-1920	234	16	front	front	ADJ
eurjchem-1920	234	17	)	)	PUNCT
eurjchem-1920	234	18	curvedness	curvedness	ADJ
eurjchem-1920	234	19	(	(	PUNCT
eurjchem-1920	234	20	front	front	ADJ
eurjchem-1920	234	21	)	)	PUNCT
eurjchem-1920	234	22	dnorm	dnorm	NOUN
eurjchem-1920	234	23	(	(	PUNCT
eurjchem-1920	234	24	back	back	NOUN
eurjchem-1920	234	25	)	)	PUNCT
eurjchem-1920	234	26	shape	shape	NOUN
eurjchem-1920	234	27	index	index	NOUN
eurjchem-1920	234	28	(	(	PUNCT
eurjchem-1920	234	29	back	back	NOUN
eurjchem-1920	234	30	)	)	PUNCT
eurjchem-1920	234	31	di	di	NOUN
eurjchem-1920	234	32	(	(	PUNCT
eurjchem-1920	234	33	back	back	ADV
eurjchem-1920	234	34	)	)	PUNCT
eurjchem-1920	234	35	de	de	X
eurjchem-1920	234	36	(	(	PUNCT
eurjchem-1920	234	37	back	back	ADV
eurjchem-1920	234	38	)	)	PUNCT
eurjchem-1920	234	39	curvedness	curvedness	ADV
eurjchem-1920	234	40	(	(	PUNCT
eurjchem-1920	234	41	back	back	ADJ
eurjchem-1920	234	42	)	)	PUNCT
eurjchem-1920	234	43	figure	figure	NOUN
eurjchem-1920	234	44	3	3	NUM
eurjchem-1920	234	45	.	.	PUNCT
eurjchem-1920	234	46	hirshfeld	hirshfeld	PROPN
eurjchem-1920	234	47	surfaces	surface	NOUN
eurjchem-1920	234	48	mapped	map	VERB
eurjchem-1920	234	49	with	with	ADP
eurjchem-1920	234	50	dnorm	dnorm	NOUN
eurjchem-1920	234	51	,	,	PUNCT
eurjchem-1920	234	52	shape	shape	NOUN
eurjchem-1920	234	53	index	index	NOUN
eurjchem-1920	234	54	,	,	PUNCT
eurjchem-1920	234	55	di	di	NOUN
eurjchem-1920	234	56	,	,	PUNCT
eurjchem-1920	234	57	de	de	X
eurjchem-1920	234	58	and	and	CCONJ
eurjchem-1920	234	59	curvedness	curvedness	ADJ
eurjchem-1920	234	60	for	for	ADP
eurjchem-1920	234	61	h2lnnn	h2lnnn	NOUN
eurjchem-1920	234	62	molecule	molecule	NOUN
eurjchem-1920	234	63	.	.	PUNCT
eurjchem-1920	235	1	the	the	DET
eurjchem-1920	235	2	fingerprint	fingerprint	NOUN
eurjchem-1920	235	3	plot	plot	NOUN
eurjchem-1920	235	4	derived	derive	VERB
eurjchem-1920	235	5	from	from	ADP
eurjchem-1920	235	6	the	the	DET
eurjchem-1920	235	7	hirshfeld	hirshfeld	PROPN
eurjchem-1920	235	8	surface	surface	NOUN
eurjchem-1920	235	9	is	be	AUX
eurjchem-1920	235	10	a	a	DET
eurjchem-1920	235	11	2d	2d	NUM
eurjchem-1920	235	12	map	map	NOUN
eurjchem-1920	235	13	that	that	PRON
eurjchem-1920	235	14	describes	describe	VERB
eurjchem-1920	235	15	the	the	DET
eurjchem-1920	235	16	type	type	NOUN
eurjchem-1920	235	17	and	and	CCONJ
eurjchem-1920	235	18	quantitative	quantitative	ADJ
eurjchem-1920	235	19	amount	amount	NOUN
eurjchem-1920	235	20	of	of	ADP
eurjchem-1920	235	21	intermolecular	intermolecular	ADJ
eurjchem-1920	235	22	interactions	interaction	NOUN
eurjchem-1920	235	23	surrounding	surround	VERB
eurjchem-1920	235	24	a	a	DET
eurjchem-1920	235	25	molecule	molecule	NOUN
eurjchem-1920	235	26	in	in	ADP
eurjchem-1920	235	27	a	a	DET
eurjchem-1920	235	28	crystal	crystal	NOUN
eurjchem-1920	235	29	lattice	lattice	NOUN
eurjchem-1920	235	30	.	.	PUNCT
eurjchem-1920	236	1	the	the	DET
eurjchem-1920	236	2	combination	combination	NOUN
eurjchem-1920	236	3	of	of	ADP
eurjchem-1920	236	4	the	the	DET
eurjchem-1920	236	5	di	di	NOUN
eurjchem-1920	236	6	and	and	CCONJ
eurjchem-1920	236	7	de	de	ADJ
eurjchem-1920	236	8	functions	function	NOUN
eurjchem-1920	236	9	in	in	ADP
eurjchem-1920	236	10	the	the	DET
eurjchem-1920	236	11	form	form	NOUN
eurjchem-1920	236	12	of	of	ADP
eurjchem-1920	236	13	a	a	DET
eurjchem-1920	236	14	2d	2d	NUM
eurjchem-1920	236	15	fingerprint	fingerprint	NOUN
eurjchem-1920	236	16	graph	graph	NOUN
eurjchem-1920	236	17	provides	provide	VERB
eurjchem-1920	236	18	a	a	DET
eurjchem-1920	236	19	summary	summary	NOUN
eurjchem-1920	236	20	of	of	ADP
eurjchem-1920	236	21	intermolecular	intermolecular	ADJ
eurjchem-1920	236	22	contacts	contact	NOUN
eurjchem-1920	236	23	within	within	ADP
eurjchem-1920	236	24	the	the	DET
eurjchem-1920	236	25	crystal	crystal	NOUN
eurjchem-1920	236	26	.	.	PUNCT
eurjchem-1920	237	1	the	the	DET
eurjchem-1920	237	2	large	large	ADJ
eurjchem-1920	237	3	red	red	ADJ
eurjchem-1920	237	4	regions	region	NOUN
eurjchem-1920	237	5	seen	see	VERB
eurjchem-1920	237	6	in	in	ADP
eurjchem-1920	237	7	the	the	DET
eurjchem-1920	237	8	dnorm	dnorm	NOUN
eurjchem-1920	237	9	maps	map	NOUN
eurjchem-1920	237	10	in	in	ADP
eurjchem-1920	237	11	figure	figure	NOUN
eurjchem-1920	237	12	4a	4a	NOUN
eurjchem-1920	237	13	represent	represent	VERB
eurjchem-1920	237	14	strong	strong	ADJ
eurjchem-1920	237	15	h⋯o	h⋯o	NOUN
eurjchem-1920	237	16	/	/	SYM
eurjchem-1920	237	17	o⋯h	o⋯h	NOUN
eurjchem-1920	237	18	contacts	contact	NOUN
eurjchem-1920	237	19	.	.	PUNCT
eurjchem-1920	238	1	these	these	DET
eurjchem-1920	238	2	contacts	contact	NOUN
eurjchem-1920	238	3	are	be	AUX
eurjchem-1920	238	4	attributed	attribute	VERB
eurjchem-1920	238	5	to	to	ADP
eurjchem-1920	238	6	n	n	CCONJ
eurjchem-1920	238	7	-	-	PUNCT
eurjchem-1920	238	8	h⋅⋅⋅o	h⋅⋅⋅o	NOUN
eurjchem-1920	238	9	and	and	CCONJ
eurjchem-1920	238	10	c	c	NOUN
eurjchem-1920	238	11	-	-	PUNCT
eurjchem-1920	238	12	h⋅⋅⋅o	h⋅⋅⋅o	VERB
eurjchem-1920	238	13	hydrogen	hydrogen	NOUN
eurjchem-1920	238	14	bonds	bond	NOUN
eurjchem-1920	238	15	,	,	PUNCT
eurjchem-1920	238	16	which	which	PRON
eurjchem-1920	238	17	can	can	AUX
eurjchem-1920	238	18	also	also	ADV
eurjchem-1920	238	19	be	be	AUX
eurjchem-1920	238	20	seen	see	VERB
eurjchem-1920	238	21	in	in	ADP
eurjchem-1920	238	22	the	the	DET
eurjchem-1920	238	23	2d	2d	NUM
eurjchem-1920	238	24	fingerprint	fingerprint	NOUN
eurjchem-1920	238	25	plots	plot	NOUN
eurjchem-1920	238	26	as	as	ADP
eurjchem-1920	238	27	a	a	DET
eurjchem-1920	238	28	pair	pair	NOUN
eurjchem-1920	238	29	of	of	ADP
eurjchem-1920	238	30	symmetrical	symmetrical	ADJ
eurjchem-1920	238	31	spikes	spike	NOUN
eurjchem-1920	238	32	at	at	ADP
eurjchem-1920	238	33	de	de	PROPN
eurjchem-1920	238	34	+	+	X
eurjchem-1920	238	35	di	di	X
eurjchem-1920	238	36	≈	≈	PROPN
eurjchem-1920	238	37	2.2	2.2	NUM
eurjchem-1920	238	38	å	å	NOUN
eurjchem-1920	238	39	for	for	ADP
eurjchem-1920	238	40	the	the	DET
eurjchem-1920	238	41	n	n	CCONJ
eurjchem-1920	238	42	-	-	PUNCT
eurjchem-1920	238	43	h⋅⋅⋅o	h⋅⋅⋅o	NOUN
eurjchem-1920	238	44	interactions	interaction	NOUN
eurjchem-1920	238	45	,	,	PUNCT
eurjchem-1920	238	46	and	and	CCONJ
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eurjchem-1920	280	6	-0.4326	-0.4326	PROPN
eurjchem-1920	280	7	-0.4810	-0.4810	PROPN
eurjchem-1920	280	8	-0.3401	-0.3401	PROPN
eurjchem-1920	280	9	-0.4190	-0.4190	PROPN
eurjchem-1920	280	10	-0.3827	-0.3827	PROPN
eurjchem-1920	281	1	-0.3427	-0.3427	PUNCT
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eurjchem-1920	282	2	-0.4856	-0.4856	NOUN
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eurjchem-1920	283	3	0.0863	0.0863	NUM
eurjchem-1920	283	4	0.1038	0.1038	NUM
eurjchem-1920	283	5	0.1024	0.1024	NUM
eurjchem-1920	283	6	0.0738	0.0738	NUM
eurjchem-1920	283	7	0.0836	0.0836	NUM
eurjchem-1920	283	8	0.0910	0.0910	NUM
eurjchem-1920	283	9	0.0609	0.0609	NUM
eurjchem-1920	283	10	0.1080	0.1080	NUM
eurjchem-1920	283	11	0.1035	0.1035	NUM
eurjchem-1920	283	12	cl26	cl26	NOUN
eurjchem-1920	283	13	0.0338	0.0338	NUM
eurjchem-1920	283	14	0.0418	0.0418	NUM
eurjchem-1920	283	15	0.0568	0.0568	NUM
eurjchem-1920	283	16	0.0610	0.0610	NUM
eurjchem-1920	283	17	0.0183	0.0183	NUM
eurjchem-1920	284	1	0.0323	0.0323	NUM
eurjchem-1920	284	2	0.0575	0.0575	NUM
eurjchem-1920	284	3	0.0348	0.0348	NUM
eurjchem-1920	284	4	0.0603	0.0603	NUM
eurjchem-1920	284	5	0.0629	0.0629	NUM
eurjchem-1920	284	6	cl27	cl27	PROPN
eurjchem-1920	284	7	0.0632	0.0632	NUM
eurjchem-1920	284	8	0.0707	0.0707	NUM
eurjchem-1920	284	9	0.0839	0.0839	NUM
eurjchem-1920	284	10	0.0882	0.0882	NUM
eurjchem-1920	284	11	0.0514	0.0514	NUM
eurjchem-1920	284	12	0.0646	0.0646	NUM
eurjchem-1920	284	13	0.0711	0.0711	NUM
eurjchem-1920	284	14	0.0462	0.0462	NUM
eurjchem-1920	284	15	0.0881	0.0881	NUM
eurjchem-1920	284	16	0.0901	0.0901	NUM
eurjchem-1920	285	1	cl28	cl28	PROPN
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eurjchem-1920	285	3	0.0719	0.0719	NUM
eurjchem-1920	285	4	0.0771	0.0771	NUM
eurjchem-1920	285	5	0.0896	0.0896	NUM
eurjchem-1920	285	6	0.0453	0.0453	NUM
eurjchem-1920	285	7	0.0649	0.0649	NUM
eurjchem-1920	285	8	0.0702	0.0702	NUM
eurjchem-1920	285	9	0.0526	0.0526	NUM
eurjchem-1920	285	10	0.0805	0.0805	NUM
eurjchem-1920	286	1	0.0913	0.0913	NUM
eurjchem-1920	286	2	cl29	cl29	PROPN
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eurjchem-1920	286	4	0.1127	0.1127	NUM
eurjchem-1920	286	5	0.1281	0.1281	NUM
eurjchem-1920	286	6	0.1282	0.1282	NUM
eurjchem-1920	286	7	0.1008	0.1008	NUM
eurjchem-1920	286	8	0.1130	0.1130	NUM
eurjchem-1920	286	9	0.1076	0.1076	NUM
eurjchem-1920	286	10	0.0823	0.0823	NUM
eurjchem-1920	286	11	0.1318	0.1318	NUM
eurjchem-1920	286	12	0.1288	0.1288	NUM
eurjchem-1920	286	13	cl30	cl30	PROPN
eurjchem-1920	286	14	0.0577	0.0577	NUM
eurjchem-1920	287	1	0.0573	0.0573	NUM
eurjchem-1920	287	2	0.0773	0.0773	NUM
eurjchem-1920	287	3	0.0742	0.0742	NUM
eurjchem-1920	287	4	0.0414	0.0414	NUM
eurjchem-1920	287	5	0.0472	0.0472	NUM
eurjchem-1920	287	6	0.0607	0.0607	NUM
eurjchem-1920	287	7	0.0270	0.0270	NUM
eurjchem-1920	287	8	0.0832	0.0832	NUM
eurjchem-1920	287	9	0.0787	0.0787	NUM
eurjchem-1920	288	1	cl31	cl31	PROPN
eurjchem-1920	288	2	0.0781	0.0781	NUM
eurjchem-1920	288	3	0.0834	0.0834	NUM
eurjchem-1920	288	4	0.1016	0.1016	NUM
eurjchem-1920	288	5	0.1040	0.1040	NUM
eurjchem-1920	288	6	0.0638	0.0638	NUM
eurjchem-1920	288	7	0.0753	0.0753	NUM
eurjchem-1920	288	8	0.0914	0.0914	NUM
eurjchem-1920	288	9	0.0582	0.0582	NUM
eurjchem-1920	288	10	0.1059	0.1059	NUM
eurjchem-1920	288	11	0.1062	0.1062	NUM
eurjchem-1920	289	1	cl32	cl32	PROPN
eurjchem-1920	289	2	0.0481	0.0481	NUM
eurjchem-1920	289	3	0.0646	0.0646	NUM
eurjchem-1920	289	4	0.0683	0.0683	NUM
eurjchem-1920	289	5	0.0829	0.0829	NUM
eurjchem-1920	289	6	0.0339	0.0339	NUM
eurjchem-1920	289	7	0.0545	0.0545	NUM
eurjchem-1920	289	8	0.0676	0.0676	NUM
eurjchem-1920	289	9	0.0522	0.0522	NUM
eurjchem-1920	289	10	0.0723	0.0723	NUM
eurjchem-1920	289	11	0.0853	0.0853	NUM
eurjchem-1920	289	12	cl33	cl33	PROPN
eurjchem-1920	289	13	0.0732	0.0732	NUM
eurjchem-1920	289	14	0.0809	0.0809	NUM
eurjchem-1920	289	15	0.0934	0.0934	NUM
eurjchem-1920	289	16	0.0975	0.0975	NUM
eurjchem-1920	289	17	0.0630	0.0630	NUM
eurjchem-1920	289	18	0.0774	0.0774	NUM
eurjchem-1920	289	19	0.0771	0.0771	NUM
eurjchem-1920	289	20	0.0562	0.0562	NUM
eurjchem-1920	289	21	0.0979	0.0979	NUM
eurjchem-1920	289	22	0.0994	0.0994	NUM
eurjchem-1920	289	23	h34	h34	NOUN
eurjchem-1920	289	24	0.3393	0.3393	NUM
eurjchem-1920	289	25	0.3156	0.3156	NUM
eurjchem-1920	289	26	0.3523	0.3523	NUM
eurjchem-1920	290	1	0.3194	0.3194	NUM
eurjchem-1920	290	2	0.3125	0.3125	NUM
eurjchem-1920	290	3	0.2996	0.2996	NUM
eurjchem-1920	290	4	0.4081	0.4081	NUM
eurjchem-1920	290	5	0.3440	0.3440	NUM
eurjchem-1920	290	6	0.3578	0.3578	NUM
eurjchem-1920	290	7	0.3211	0.3211	NUM
eurjchem-1920	290	8	h35	h35	VERB
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eurjchem-1920	290	10	0.1388	0.1388	NUM
eurjchem-1920	290	11	0.1785	0.1785	NUM
eurjchem-1920	290	12	0.1524	0.1524	NUM
eurjchem-1920	290	13	0.1124	0.1124	NUM
eurjchem-1920	290	14	0.1283	0.1283	NUM
eurjchem-1920	290	15	0.2021	0.2021	NUM
eurjchem-1920	290	16	0.1350	0.1350	NUM
eurjchem-1920	290	17	0.1843	0.1843	NUM
eurjchem-1920	290	18	0.1506	0.1506	NUM
eurjchem-1920	290	19	h36	h36	NUM
eurjchem-1920	290	20	0.1019	0.1019	NUM
eurjchem-1920	290	21	0.1061	0.1061	NUM
eurjchem-1920	291	1	0.1378	0.1378	NUM
eurjchem-1920	291	2	0.1154	0.1154	NUM
eurjchem-1920	291	3	0.0748	0.0748	NUM
eurjchem-1920	291	4	0.0978	0.0978	NUM
eurjchem-1920	291	5	0.1677	0.1677	NUM
eurjchem-1920	291	6	0.1095	0.1095	NUM
eurjchem-1920	291	7	0.1435	0.1435	NUM
eurjchem-1920	291	8	0.1138	0.1138	NUM
eurjchem-1920	291	9	h37	h37	NOUN
eurjchem-1920	291	10	0.0995	0.0995	NUM
eurjchem-1920	291	11	0.1035	0.1035	NUM
eurjchem-1920	291	12	0.1357	0.1357	NUM
eurjchem-1920	291	13	0.1125	0.1125	NUM
eurjchem-1920	291	14	0.0724	0.0724	NUM
eurjchem-1920	291	15	0.0953	0.0953	NUM
eurjchem-1920	291	16	0.1664	0.1664	NUM
eurjchem-1920	291	17	0.1072	0.1072	NUM
eurjchem-1920	291	18	0.1413	0.1413	NUM
eurjchem-1920	291	19	0.1106	0.1106	NUM
eurjchem-1920	291	20	h38	h38	NOUN
eurjchem-1920	291	21	0.1145	0.1145	NUM
eurjchem-1920	291	22	0.1276	0.1276	NUM
eurjchem-1920	292	1	0.1505	0.1505	NUM
eurjchem-1920	292	2	0.1436	0.1436	NUM
eurjchem-1920	292	3	0.0882	0.0882	NUM
eurjchem-1920	292	4	0.1179	0.1179	NUM
eurjchem-1920	292	5	0.1837	0.1837	NUM
eurjchem-1920	292	6	0.1284	0.1284	NUM
eurjchem-1920	292	7	0.1559	0.1559	NUM
eurjchem-1920	292	8	0.1424	0.1424	NUM
eurjchem-1920	292	9	h39	h39	VERB
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eurjchem-1920	292	11	0.1309	0.1309	NUM
eurjchem-1920	292	12	0.1563	0.1563	NUM
eurjchem-1920	292	13	0.1476	0.1476	NUM
eurjchem-1920	292	14	0.0909	0.0909	NUM
eurjchem-1920	292	15	0.1210	0.1210	NUM
eurjchem-1920	292	16	0.1904	0.1904	NUM
eurjchem-1920	292	17	0.1346	0.1346	NUM
eurjchem-1920	292	18	0.1620	0.1620	NUM
eurjchem-1920	292	19	0.1469	0.1469	NUM
eurjchem-1920	292	20	h40	h40	NUM
eurjchem-1920	292	21	0.1051	0.1051	NUM
eurjchem-1920	292	22	0.1076	0.1076	NUM
eurjchem-1920	292	23	0.1410	0.1410	NUM
eurjchem-1920	292	24	0.1163	0.1163	NUM
eurjchem-1920	292	25	0.0779	0.0779	NUM
eurjchem-1920	292	26	0.0994	0.0994	NUM
eurjchem-1920	292	27	0.1710	0.1710	NUM
eurjchem-1920	292	28	0.1109	0.1109	NUM
eurjchem-1920	292	29	0.1466	0.1466	NUM
eurjchem-1920	292	30	0.1144	0.1144	NUM
eurjchem-1920	292	31	h41	h41	NOUN
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eurjchem-1920	292	35	0.1154	0.1154	NUM
eurjchem-1920	292	36	0.0771	0.0771	NUM
eurjchem-1920	292	37	0.0986	0.0986	NUM
eurjchem-1920	292	38	0.1688	0.1688	NUM
eurjchem-1920	292	39	0.1092	0.1092	NUM
eurjchem-1920	292	40	0.1456	0.1456	NOUN
eurjchem-1920	292	41	0.1135	0.1135	PRON
eurjchem-1920	292	42	h42	h42	VERB
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eurjchem-1920	292	44	0.1111	0.1111	NUM
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eurjchem-1920	292	46	0.1217	0.1217	NUM
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eurjchem-1920	292	48	0.1038	0.1038	NUM
eurjchem-1920	292	49	0.1746	0.1746	NUM
eurjchem-1920	292	50	0.1098	0.1098	NUM
eurjchem-1920	292	51	0.1478	0.1478	NUM
eurjchem-1920	292	52	0.1197	0.1197	NUM
eurjchem-1920	292	53	h43	h43	ADJ
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eurjchem-1920	292	61	0.2866	0.2866	NUM
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eurjchem-1920	292	63	0.2740	0.2740	NUM
eurjchem-1920	292	64	*	*	PUNCT
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eurjchem-1920	292	68	:	:	PUNCT
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eurjchem-1920	292	75	;	;	PUNCT
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eurjchem-1920	292	77	-	-	SYM
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eurjchem-1920	292	79	:	:	PUNCT
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eurjchem-1920	292	86	.	.	PUNCT
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eurjchem-1920	293	2	b	b	X
eurjchem-1920	293	3	)	)	PUNCT
eurjchem-1920	293	4	(	(	PUNCT
eurjchem-1920	293	5	a	a	NOUN
eurjchem-1920	293	6	)	)	PUNCT
eurjchem-1920	293	7	(	(	PUNCT
eurjchem-1920	293	8	c	c	X
eurjchem-1920	293	9	)	)	PUNCT
eurjchem-1920	293	10	figure	figure	NOUN
eurjchem-1920	293	11	4	4	NUM
eurjchem-1920	293	12	.	.	PUNCT
eurjchem-1920	294	1	(	(	PUNCT
eurjchem-1920	294	2	a	a	X
eurjchem-1920	294	3	)	)	PUNCT
eurjchem-1920	294	4	a	a	DET
eurjchem-1920	294	5	view	view	NOUN
eurjchem-1920	294	6	of	of	ADP
eurjchem-1920	294	7	dnorm	dnorm	NOUN
eurjchem-1920	294	8	hirshfeld	hirshfeld	PROPN
eurjchem-1920	294	9	surface	surface	NOUN
eurjchem-1920	294	10	for	for	ADP
eurjchem-1920	294	11	close	close	ADJ
eurjchem-1920	294	12	n	n	CCONJ
eurjchem-1920	294	13	–	–	PUNCT
eurjchem-1920	294	14	h⋯o	h⋯o	PUNCT
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eurjchem-1920	294	16	c	c	X
eurjchem-1920	294	17	-	-	PUNCT
eurjchem-1920	294	18	h⋯o	h⋯o	NOUN
eurjchem-1920	294	19	contacts	contact	NOUN
eurjchem-1920	294	20	(	(	PUNCT
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eurjchem-1920	294	22	)	)	PUNCT
eurjchem-1920	294	23	decomposed	decompose	VERB
eurjchem-1920	294	24	fingerprint	fingerprint	NOUN
eurjchem-1920	294	25	plot	plot	NOUN
eurjchem-1920	294	26	for	for	ADP
eurjchem-1920	294	27	n	n	CCONJ
eurjchem-1920	294	28	–	–	PUNCT
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eurjchem-1920	294	30	contacts	contact	NOUN
eurjchem-1920	294	31	.	.	PUNCT
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eurjchem-1920	295	2	c	c	X
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eurjchem-1920	295	4	decomposed	decompose	VERB
eurjchem-1920	295	5	fingerprint	fingerprint	NOUN
eurjchem-1920	295	6	plot	plot	NOUN
eurjchem-1920	295	7	for	for	ADP
eurjchem-1920	295	8	c	c	NOUN
eurjchem-1920	295	9	–	–	PUNCT
eurjchem-1920	295	10	h⋯o	h⋯o	NOUN
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eurjchem-1920	295	12	.	.	PUNCT
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eurjchem-1920	296	2	–	–	PUNCT
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eurjchem-1920	296	5	of	of	ADP
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eurjchem-1920	296	7	–	–	PUNCT
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eurjchem-1920	296	11	–	–	PUNCT
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eurjchem-1920	296	13	:	:	PUNCT
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eurjchem-1920	296	17	-	-	SYM
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eurjchem-1920	296	19	aydogdu	aydogdu	NOUN
eurjchem-1920	296	20	et	et	PROPN
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eurjchem-1920	296	24	european	european	PROPN
eurjchem-1920	296	25	journal	journal	PROPN
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eurjchem-1920	296	27	chemistry	chemistry	NOUN
eurjchem-1920	296	28	10	10	NUM
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eurjchem-1920	296	30	4	4	NUM
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eurjchem-1920	296	32	(	(	PUNCT
eurjchem-1920	296	33	2019	2019	NUM
eurjchem-1920	296	34	)	)	PUNCT
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eurjchem-1920	296	36	-	-	SYM
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eurjchem-1920	296	43	b	b	X
eurjchem-1920	296	44	)	)	PUNCT
eurjchem-1920	296	45	figure	figure	NOUN
eurjchem-1920	296	46	5	5	NUM
eurjchem-1920	296	47	.	.	PUNCT
eurjchem-1920	297	1	(	(	PUNCT
eurjchem-1920	297	2	a	a	X
eurjchem-1920	297	3	)	)	PUNCT
eurjchem-1920	297	4	a	a	DET
eurjchem-1920	297	5	view	view	NOUN
eurjchem-1920	297	6	of	of	ADP
eurjchem-1920	297	7	dnorm	dnorm	NOUN
eurjchem-1920	297	8	hirshfeld	hirshfeld	PROPN
eurjchem-1920	297	9	surface	surface	NOUN
eurjchem-1920	297	10	for	for	ADP
eurjchem-1920	297	11	close	close	ADJ
eurjchem-1920	297	12	cl⋯h	cl⋯h	NOUN
eurjchem-1920	297	13	contacts	contact	NOUN
eurjchem-1920	297	14	(	(	PUNCT
eurjchem-1920	297	15	b	b	NOUN
eurjchem-1920	297	16	)	)	PUNCT
eurjchem-1920	297	17	decomposed	decompose	VERB
eurjchem-1920	297	18	fingerprint	fingerprint	NOUN
eurjchem-1920	297	19	plot	plot	NOUN
eurjchem-1920	297	20	for	for	ADP
eurjchem-1920	297	21	cl⋯h	cl⋯h	NOUN
eurjchem-1920	297	22	contacts	contact	NOUN
eurjchem-1920	297	23	.	.	PUNCT
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eurjchem-1920	298	2	a	a	X
eurjchem-1920	298	3	)	)	PUNCT
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eurjchem-1920	298	5	b	b	X
eurjchem-1920	298	6	)	)	PUNCT
eurjchem-1920	298	7	figure	figure	NOUN
eurjchem-1920	298	8	6	6	NUM
eurjchem-1920	298	9	.	.	PUNCT
eurjchem-1920	299	1	(	(	PUNCT
eurjchem-1920	299	2	a	a	X
eurjchem-1920	299	3	)	)	PUNCT
eurjchem-1920	299	4	a	a	DET
eurjchem-1920	299	5	view	view	NOUN
eurjchem-1920	299	6	of	of	ADP
eurjchem-1920	299	7	dnorm	dnorm	NOUN
eurjchem-1920	299	8	hirshfeld	hirshfeld	PROPN
eurjchem-1920	299	9	surface	surface	NOUN
eurjchem-1920	299	10	for	for	ADP
eurjchem-1920	299	11	close	close	ADJ
eurjchem-1920	299	12	cl⋯cl	cl⋯cl	NOUN
eurjchem-1920	299	13	contacts	contact	NOUN
eurjchem-1920	299	14	(	(	PUNCT
eurjchem-1920	299	15	b	b	NOUN
eurjchem-1920	299	16	)	)	PUNCT
eurjchem-1920	299	17	decomposed	decompose	VERB
eurjchem-1920	299	18	fingerprint	fingerprint	NOUN
eurjchem-1920	299	19	plot	plot	NOUN
eurjchem-1920	299	20	for	for	ADP
eurjchem-1920	299	21	cl⋯cl	cl⋯cl	NOUN
eurjchem-1920	299	22	contacts	contact	NOUN
eurjchem-1920	299	23	.	.	PUNCT
eurjchem-1920	300	1	(	(	PUNCT
eurjchem-1920	300	2	a	a	X
eurjchem-1920	300	3	)	)	PUNCT
eurjchem-1920	300	4	(	(	PUNCT
eurjchem-1920	300	5	b	b	X
eurjchem-1920	300	6	)	)	PUNCT
eurjchem-1920	300	7	figure	figure	NOUN
eurjchem-1920	300	8	7	7	NUM
eurjchem-1920	300	9	.	.	PUNCT
eurjchem-1920	301	1	(	(	PUNCT
eurjchem-1920	301	2	a	a	X
eurjchem-1920	301	3	)	)	PUNCT
eurjchem-1920	301	4	a	a	DET
eurjchem-1920	301	5	view	view	NOUN
eurjchem-1920	301	6	of	of	ADP
eurjchem-1920	301	7	dnorm	dnorm	NOUN
eurjchem-1920	301	8	hirshfeld	hirshfeld	PROPN
eurjchem-1920	301	9	surface	surface	NOUN
eurjchem-1920	301	10	for	for	ADP
eurjchem-1920	301	11	close	close	ADJ
eurjchem-1920	301	12	c	c	NOUN
eurjchem-1920	301	13	-	-	PUNCT
eurjchem-1920	301	14	cl⋯π	cl⋯π	ADJ
eurjchem-1920	301	15	contacts	contact	NOUN
eurjchem-1920	301	16	(	(	PUNCT
eurjchem-1920	301	17	b	b	NOUN
eurjchem-1920	301	18	)	)	PUNCT
eurjchem-1920	301	19	decomposed	decompose	VERB
eurjchem-1920	301	20	fingerprint	fingerprint	NOUN
eurjchem-1920	301	21	plot	plot	NOUN
eurjchem-1920	301	22	for	for	ADP
eurjchem-1920	301	23	c	c	NOUN
eurjchem-1920	301	24	-	-	PUNCT
eurjchem-1920	301	25	cl⋯π	cl⋯π	ADJ
eurjchem-1920	301	26	contacts	contact	NOUN
eurjchem-1920	301	27	.	.	PUNCT
eurjchem-1920	302	1	the	the	DET
eurjchem-1920	302	2	h⋯o	h⋯o	NOUN
eurjchem-1920	302	3	/	/	SYM
eurjchem-1920	302	4	o⋯h	o⋯h	NOUN
eurjchem-1920	302	5	contacts	contact	NOUN
eurjchem-1920	302	6	are	be	AUX
eurjchem-1920	302	7	important	important	ADJ
eurjchem-1920	302	8	for	for	ADP
eurjchem-1920	302	9	a	a	DET
eurjchem-1920	302	10	compound	compound	NOUN
eurjchem-1920	302	11	with	with	ADP
eurjchem-1920	302	12	7.3	7.3	NUM
eurjchem-1920	302	13	%	%	NOUN
eurjchem-1920	302	14	contribution	contribution	NOUN
eurjchem-1920	302	15	to	to	ADP
eurjchem-1920	302	16	the	the	DET
eurjchem-1920	302	17	hirshfeld	hirshfeld	PROPN
eurjchem-1920	302	18	surface	surface	PROPN
eurjchem-1920	302	19	area	area	NOUN
eurjchem-1920	302	20	(	(	PUNCT
eurjchem-1920	302	21	see	see	AUX
eurjchem-1920	302	22	figure	figure	VERB
eurjchem-1920	302	23	4b	4b	NOUN
eurjchem-1920	302	24	and	and	CCONJ
eurjchem-1920	302	25	c	c	NOUN
eurjchem-1920	302	26	)	)	PUNCT
eurjchem-1920	302	27	.	.	PUNCT
eurjchem-1920	303	1	the	the	DET
eurjchem-1920	303	2	largest	large	ADJ
eurjchem-1920	303	3	portion	portion	NOUN
eurjchem-1920	303	4	of	of	ADP
eurjchem-1920	303	5	the	the	DET
eurjchem-1920	303	6	total	total	ADJ
eurjchem-1920	303	7	hirshfeld	hirshfeld	PROPN
eurjchem-1920	303	8	surface	surface	NOUN
eurjchem-1920	303	9	belongs	belong	VERB
eurjchem-1920	303	10	to	to	PART
eurjchem-1920	303	11	cl⋯h	cl⋯h	VERB
eurjchem-1920	303	12	/	/	SYM
eurjchem-1920	303	13	h⋯cl	h⋯cl	PROPN
eurjchem-1920	303	14	contacts	contact	NOUN
eurjchem-1920	303	15	with	with	ADP
eurjchem-1920	303	16	43.3	43.3	NUM
eurjchem-1920	303	17	%	%	NOUN
eurjchem-1920	303	18	.	.	PUNCT
eurjchem-1920	304	1	these	these	DET
eurjchem-1920	304	2	interactions	interaction	NOUN
eurjchem-1920	304	3	are	be	AUX
eurjchem-1920	304	4	represented	represent	VERB
eurjchem-1920	304	5	as	as	ADP
eurjchem-1920	304	6	a	a	DET
eurjchem-1920	304	7	pair	pair	NOUN
eurjchem-1920	304	8	of	of	ADP
eurjchem-1920	304	9	short	short	ADJ
eurjchem-1920	304	10	spikes	spike	NOUN
eurjchem-1920	304	11	at	at	ADP
eurjchem-1920	304	12	de	de	PROPN
eurjchem-1920	304	13	+	+	X
eurjchem-1920	304	14	di	di	X
eurjchem-1920	304	15	≈	≈	PROPN
eurjchem-1920	304	16	2.8	2.8	NUM
eurjchem-1920	304	17	å	å	NOUN
eurjchem-1920	304	18	in	in	ADP
eurjchem-1920	304	19	fingerprint	fingerprint	NOUN
eurjchem-1920	304	20	plot	plot	NOUN
eurjchem-1920	304	21	and	and	CCONJ
eurjchem-1920	304	22	seen	see	VERB
eurjchem-1920	304	23	as	as	ADP
eurjchem-1920	304	24	slight	slight	ADJ
eurjchem-1920	304	25	red	red	ADJ
eurjchem-1920	304	26	spots	spot	NOUN
eurjchem-1920	304	27	on	on	ADP
eurjchem-1920	304	28	the	the	DET
eurjchem-1920	304	29	dnorm	dnorm	NOUN
eurjchem-1920	304	30	hirshfeld	hirshfeld	PROPN
eurjchem-1920	304	31	surface	surface	NOUN
eurjchem-1920	304	32	(	(	PUNCT
eurjchem-1920	304	33	figure	figure	NOUN
eurjchem-1920	304	34	5	5	NUM
eurjchem-1920	304	35	)	)	PUNCT
eurjchem-1920	304	36	.	.	PUNCT
eurjchem-1920	305	1	other	other	ADJ
eurjchem-1920	305	2	important	important	ADJ
eurjchem-1920	305	3	interactions	interaction	NOUN
eurjchem-1920	305	4	that	that	PRON
eurjchem-1920	305	5	occur	occur	VERB
eurjchem-1920	305	6	on	on	ADP
eurjchem-1920	305	7	the	the	DET
eurjchem-1920	305	8	hirshfeld	hirshfeld	PROPN
eurjchem-1920	305	9	surface	surface	NOUN
eurjchem-1920	305	10	mapped	map	VERB
eurjchem-1920	305	11	with	with	ADP
eurjchem-1920	305	12	the	the	DET
eurjchem-1920	305	13	dnorm	dnorm	NOUN
eurjchem-1920	305	14	function	function	NOUN
eurjchem-1920	305	15	of	of	ADP
eurjchem-1920	305	16	the	the	DET
eurjchem-1920	305	17	compound	compound	NOUN
eurjchem-1920	305	18	h2lnnn	h2lnnn	NOUN
eurjchem-1920	305	19	are	be	AUX
eurjchem-1920	305	20	the	the	DET
eurjchem-1920	305	21	cl	cl	NOUN
eurjchem-1920	305	22	-	-	PUNCT
eurjchem-1920	305	23	cl	cl	NOUN
eurjchem-1920	305	24	interaction	interaction	NOUN
eurjchem-1920	305	25	,	,	PUNCT
eurjchem-1920	305	26	which	which	PRON
eurjchem-1920	305	27	contribute	contribute	VERB
eurjchem-1920	305	28	18.8	18.8	NUM
eurjchem-1920	305	29	%	%	NOUN
eurjchem-1920	305	30	to	to	ADP
eurjchem-1920	305	31	the	the	DET
eurjchem-1920	305	32	hirshfeld	hirshfeld	PROPN
eurjchem-1920	305	33	surface	surface	NOUN
eurjchem-1920	305	34	.	.	PUNCT
eurjchem-1920	306	1	in	in	ADP
eurjchem-1920	306	2	the	the	DET
eurjchem-1920	306	3	decomposed	decompose	VERB
eurjchem-1920	306	4	2d	2d	NUM
eurjchem-1920	306	5	fingerprint	fingerprint	NOUN
eurjchem-1920	306	6	plot	plot	NOUN
eurjchem-1920	306	7	,	,	PUNCT
eurjchem-1920	306	8	the	the	DET
eurjchem-1920	306	9	shortest	short	ADJ
eurjchem-1920	306	10	contact	contact	NOUN
eurjchem-1920	306	11	between	between	ADP
eurjchem-1920	306	12	cl	cl	NOUN
eurjchem-1920	306	13	atoms	atom	NOUN
eurjchem-1920	306	14	is	be	AUX
eurjchem-1920	306	15	also	also	ADV
eurjchem-1920	306	16	shorter	short	ADJ
eurjchem-1920	306	17	than	than	ADP
eurjchem-1920	306	18	the	the	DET
eurjchem-1920	306	19	sum	sum	NOUN
eurjchem-1920	306	20	of	of	ADP
eurjchem-1920	306	21	vdw	vdw	NOUN
eurjchem-1920	306	22	radii	radii	VERB
eurjchem-1920	306	23	with	with	ADP
eurjchem-1920	306	24	de	de	X
eurjchem-1920	306	25	+	+	X
eurjchem-1920	306	26	di	di	X
eurjchem-1920	307	1	≈	≈	PROPN
eurjchem-1920	307	2	3.4	3.4	NUM
eurjchem-1920	307	3	å	å	NOUN
eurjchem-1920	307	4	.	.	PUNCT
eurjchem-1920	308	1	therefore	therefore	ADV
eurjchem-1920	308	2	,	,	PUNCT
eurjchem-1920	308	3	these	these	DET
eurjchem-1920	308	4	interactions	interaction	NOUN
eurjchem-1920	308	5	are	be	AUX
eurjchem-1920	308	6	essential	essential	ADJ
eurjchem-1920	308	7	intermolecular	intermolecular	ADJ
eurjchem-1920	308	8	contacts	contact	NOUN
eurjchem-1920	308	9	in	in	ADP
eurjchem-1920	308	10	the	the	DET
eurjchem-1920	308	11	crystal	crystal	NOUN
eurjchem-1920	308	12	selfassembly	selfassembly	ADV
eurjchem-1920	308	13	of	of	ADP
eurjchem-1920	308	14	the	the	DET
eurjchem-1920	308	15	molecule	molecule	NOUN
eurjchem-1920	308	16	(	(	PUNCT
eurjchem-1920	308	17	figure	figure	NOUN
eurjchem-1920	308	18	6	6	NUM
eurjchem-1920	308	19	)	)	PUNCT
eurjchem-1920	308	20	.	.	PUNCT
eurjchem-1920	309	1	the	the	DET
eurjchem-1920	309	2	c	c	NOUN
eurjchem-1920	309	3	-	-	PUNCT
eurjchem-1920	309	4	cl⋯π	cl⋯π	ADJ
eurjchem-1920	309	5	interactions	interaction	NOUN
eurjchem-1920	309	6	,	,	PUNCT
eurjchem-1920	309	7	which	which	PRON
eurjchem-1920	309	8	happened	happen	VERB
eurjchem-1920	309	9	between	between	ADP
eurjchem-1920	309	10	the	the	DET
eurjchem-1920	309	11	cl	cl	NOUN
eurjchem-1920	309	12	atom	atom	NOUN
eurjchem-1920	309	13	and	and	CCONJ
eurjchem-1920	309	14	the	the	DET
eurjchem-1920	309	15	π	π	NOUN
eurjchem-1920	309	16	-	-	NOUN
eurjchem-1920	309	17	system	system	NOUN
eurjchem-1920	309	18	of	of	ADP
eurjchem-1920	309	19	adjacent	adjacent	ADJ
eurjchem-1920	309	20	phenyl	phenyl	NOUN
eurjchem-1920	309	21	,	,	PUNCT
eurjchem-1920	309	22	contributing	contribute	VERB
eurjchem-1920	309	23	to	to	ADP
eurjchem-1920	309	24	the	the	DET
eurjchem-1920	309	25	three	three	NUM
eurjchem-1920	309	26	-	-	PUNCT
eurjchem-1920	309	27	dimensional	dimensional	ADJ
eurjchem-1920	309	28	structure	structure	NOUN
eurjchem-1920	309	29	of	of	ADP
eurjchem-1920	309	30	the	the	DET
eurjchem-1920	309	31	synthesized	synthesize	VERB
eurjchem-1920	309	32	h2lnnn	h2lnnn	NOUN
eurjchem-1920	309	33	compound	compound	NOUN
eurjchem-1920	309	34	were	be	AUX
eurjchem-1920	309	35	visualized	visualize	VERB
eurjchem-1920	309	36	by	by	ADP
eurjchem-1920	309	37	means	mean	NOUN
eurjchem-1920	309	38	of	of	ADP
eurjchem-1920	309	39	the	the	DET
eurjchem-1920	309	40	hirshfeld	hirshfeld	PROPN
eurjchem-1920	309	41	surface	surface	NOUN
eurjchem-1920	309	42	2019	2019	NUM
eurjchem-1920	309	43	–	–	PUNCT
eurjchem-1920	309	44	european	european	ADJ
eurjchem-1920	309	45	journal	journal	NOUN
eurjchem-1920	309	46	of	of	ADP
eurjchem-1920	309	47	chemistry	chemistry	NOUN
eurjchem-1920	309	48	–	–	PUNCT
eurjchem-1920	309	49	cc	cc	NOUN
eurjchem-1920	309	50	by	by	ADP
eurjchem-1920	309	51	nc	nc	PROPN
eurjchem-1920	309	52	–	–	PUNCT
eurjchem-1920	309	53	doi	doi	NOUN
eurjchem-1920	309	54	:	:	PUNCT
eurjchem-1920	309	55	10.5155	10.5155	NUM
eurjchem-1920	309	56	/	/	SYM
eurjchem-1920	309	57	eurjchem.10.4.323	eurjchem.10.4.323	NOUN
eurjchem-1920	309	58	-	-	SYM
eurjchem-1920	309	59	335.1920	335.1920	NUM
eurjchem-1920	309	60	334	334	NUM
eurjchem-1920	309	61	aydogdu	aydogdu	ADV
eurjchem-1920	309	62	et	et	PROPN
eurjchem-1920	309	63	al	al	PROPN
eurjchem-1920	309	64	.	.	PUNCT
eurjchem-1920	309	65	/	/	SYM
eurjchem-1920	309	66	european	european	PROPN
eurjchem-1920	309	67	journal	journal	PROPN
eurjchem-1920	309	68	of	of	ADP
eurjchem-1920	309	69	chemistry	chemistry	NOUN
eurjchem-1920	309	70	10	10	NUM
eurjchem-1920	309	71	(	(	PUNCT
eurjchem-1920	309	72	4	4	NUM
eurjchem-1920	309	73	)	)	PUNCT
eurjchem-1920	309	74	(	(	PUNCT
eurjchem-1920	309	75	2019	2019	NUM
eurjchem-1920	309	76	)	)	PUNCT
eurjchem-1920	309	77	323	323	NUM
eurjchem-1920	309	78	-	-	SYM
eurjchem-1920	309	79	335	335	NUM
eurjchem-1920	309	80	figure	figure	NOUN
eurjchem-1920	309	81	8	8	NUM
eurjchem-1920	309	82	.	.	PUNCT
eurjchem-1920	310	1	all	all	DET
eurjchem-1920	310	2	contacts	contact	NOUN
eurjchem-1920	310	3	in	in	ADP
eurjchem-1920	310	4	the	the	DET
eurjchem-1920	310	5	crystal	crystal	NOUN
eurjchem-1920	310	6	lattice	lattice	NOUN
eurjchem-1920	310	7	of	of	ADP
eurjchem-1920	310	8	the	the	DET
eurjchem-1920	310	9	compound	compound	NOUN
eurjchem-1920	310	10	h2lnnn	h2lnnn	PROPN
eurjchem-1920	310	11	.	.	PUNCT
eurjchem-1920	311	1	figure	figure	NOUN
eurjchem-1920	311	2	9	9	NUM
eurjchem-1920	311	3	.	.	PUNCT
eurjchem-1920	311	4	relative	relative	ADJ
eurjchem-1920	311	5	percentage	percentage	NOUN
eurjchem-1920	311	6	contributions	contribution	NOUN
eurjchem-1920	311	7	to	to	ADP
eurjchem-1920	311	8	the	the	DET
eurjchem-1920	311	9	hirshfeld	hirshfeld	PROPN
eurjchem-1920	311	10	surface	surface	PROPN
eurjchem-1920	311	11	area	area	NOUN
eurjchem-1920	311	12	of	of	ADP
eurjchem-1920	311	13	various	various	ADJ
eurjchem-1920	311	14	intermolecular	intermolecular	ADJ
eurjchem-1920	311	15	contacts	contact	NOUN
eurjchem-1920	311	16	in	in	ADP
eurjchem-1920	311	17	h2lnnn	h2lnnn	NOUN
eurjchem-1920	311	18	.	.	PUNCT
eurjchem-1920	312	1	mapped	map	VERB
eurjchem-1920	312	2	by	by	ADP
eurjchem-1920	312	3	the	the	DET
eurjchem-1920	312	4	shape	shape	NOUN
eurjchem-1920	312	5	index	index	NOUN
eurjchem-1920	312	6	function	function	NOUN
eurjchem-1920	312	7	.	.	PUNCT
eurjchem-1920	313	1	as	as	SCONJ
eurjchem-1920	313	2	can	can	AUX
eurjchem-1920	313	3	be	be	AUX
eurjchem-1920	313	4	seen	see	VERB
eurjchem-1920	313	5	from	from	ADP
eurjchem-1920	313	6	figure	figure	NOUN
eurjchem-1920	313	7	7	7	NUM
eurjchem-1920	313	8	,	,	PUNCT
eurjchem-1920	313	9	on	on	ADP
eurjchem-1920	313	10	the	the	DET
eurjchem-1920	313	11	hirshfeld	hirshfeld	PROPN
eurjchem-1920	313	12	surface	surface	NOUN
eurjchem-1920	313	13	mapped	map	VERB
eurjchem-1920	313	14	by	by	ADP
eurjchem-1920	313	15	the	the	DET
eurjchem-1920	313	16	shape	shape	NOUN
eurjchem-1920	313	17	index	index	NOUN
eurjchem-1920	313	18	function	function	NOUN
eurjchem-1920	313	19	,	,	PUNCT
eurjchem-1920	313	20	the	the	DET
eurjchem-1920	313	21	hollow	hollow	ADJ
eurjchem-1920	313	22	orange	orange	NOUN
eurjchem-1920	313	23	areas	area	NOUN
eurjchem-1920	313	24	correspond	correspond	VERB
eurjchem-1920	313	25	to	to	ADP
eurjchem-1920	313	26	the	the	DET
eurjchem-1920	313	27	cclexternal⋯πinternal	cclexternal⋯πinternal	ADJ
eurjchem-1920	313	28	and	and	CCONJ
eurjchem-1920	313	29	the	the	DET
eurjchem-1920	313	30	bumps	bump	NOUN
eurjchem-1920	313	31	blue	blue	ADJ
eurjchem-1920	313	32	areas	area	NOUN
eurjchem-1920	313	33	correspond	correspond	VERB
eurjchem-1920	313	34	to	to	ADP
eurjchem-1920	313	35	the	the	DET
eurjchem-1920	313	36	c	c	NOUN
eurjchem-1920	313	37	-	-	ADJ
eurjchem-1920	313	38	clinternal⋯πexternal	clinternal⋯πexternal	ADJ
eurjchem-1920	313	39	interactions	interaction	NOUN
eurjchem-1920	313	40	.	.	PUNCT
eurjchem-1920	314	1	these	these	DET
eurjchem-1920	314	2	interactions	interaction	NOUN
eurjchem-1920	314	3	contribute	contribute	VERB
eurjchem-1920	314	4	10.8	10.8	NUM
eurjchem-1920	314	5	%	%	NOUN
eurjchem-1920	314	6	to	to	PART
eurjchem-1920	314	7	total	total	VERB
eurjchem-1920	314	8	hirshfeld	hirshfeld	PROPN
eurjchem-1920	314	9	surface	surface	NOUN
eurjchem-1920	314	10	and	and	CCONJ
eurjchem-1920	314	11	the	the	DET
eurjchem-1920	314	12	separated	separate	VERB
eurjchem-1920	314	13	2d	2d	NUM
eurjchem-1920	314	14	fingerprint	fingerprint	NOUN
eurjchem-1920	314	15	plot	plot	NOUN
eurjchem-1920	314	16	of	of	ADP
eurjchem-1920	314	17	c	c	NOUN
eurjchem-1920	314	18	-	-	PUNCT
eurjchem-1920	314	19	cl⋯π	cl⋯π	ADJ
eurjchem-1920	314	20	interactions	interaction	NOUN
eurjchem-1920	314	21	show	show	VERB
eurjchem-1920	314	22	that	that	SCONJ
eurjchem-1920	314	23	the	the	DET
eurjchem-1920	314	24	shortest	short	ADJ
eurjchem-1920	314	25	contact	contact	NOUN
eurjchem-1920	314	26	is	be	AUX
eurjchem-1920	314	27	de	de	X
eurjchem-1920	314	28	+	+	X
eurjchem-1920	314	29	di	di	X
eurjchem-1920	314	30	≈	≈	PROPN
eurjchem-1920	314	31	3.4	3.4	NUM
eurjchem-1920	314	32	å	å	NOUN
eurjchem-1920	314	33	(	(	PUNCT
eurjchem-1920	314	34	figure	figure	NOUN
eurjchem-1920	314	35	7b	7b	NUM
eurjchem-1920	314	36	)	)	PUNCT
eurjchem-1920	314	37	.	.	PUNCT
eurjchem-1920	315	1	on	on	ADP
eurjchem-1920	315	2	the	the	DET
eurjchem-1920	315	3	other	other	ADJ
eurjchem-1920	315	4	hand	hand	NOUN
eurjchem-1920	315	5	,	,	PUNCT
eurjchem-1920	315	6	h⋯h	h⋯h	ADJ
eurjchem-1920	315	7	contacts	contact	NOUN
eurjchem-1920	315	8	,	,	PUNCT
eurjchem-1920	315	9	i.e.	i.e.	X
eurjchem-1920	315	10	dispersion	dispersion	NOUN
eurjchem-1920	315	11	interactions	interaction	NOUN
eurjchem-1920	315	12	,	,	PUNCT
eurjchem-1920	315	13	contribute	contribute	VERB
eurjchem-1920	315	14	8.9	8.9	NUM
eurjchem-1920	315	15	%	%	NOUN
eurjchem-1920	315	16	of	of	ADP
eurjchem-1920	315	17	the	the	DET
eurjchem-1920	315	18	total	total	ADJ
eurjchem-1920	315	19	number	number	NOUN
eurjchem-1920	315	20	of	of	ADP
eurjchem-1920	315	21	contacts	contact	NOUN
eurjchem-1920	315	22	of	of	ADP
eurjchem-1920	315	23	the	the	DET
eurjchem-1920	315	24	compound	compound	NOUN
eurjchem-1920	315	25	.	.	PUNCT
eurjchem-1920	316	1	however	however	ADV
eurjchem-1920	316	2	,	,	PUNCT
eurjchem-1920	316	3	the	the	DET
eurjchem-1920	316	4	shortest	short	ADJ
eurjchem-1920	316	5	h⋯h	h⋯h	NOUN
eurjchem-1920	316	6	contact	contact	NOUN
eurjchem-1920	316	7	is	be	AUX
eurjchem-1920	316	8	de	de	X
eurjchem-1920	316	9	+	+	X
eurjchem-1920	316	10	di	di	X
eurjchem-1920	316	11	≈	≈	PROPN
eurjchem-1920	316	12	2.4	2.4	NUM
eurjchem-1920	316	13	å	å	NOUN
eurjchem-1920	316	14	,	,	PUNCT
eurjchem-1920	316	15	which	which	PRON
eurjchem-1920	316	16	is	be	AUX
eurjchem-1920	316	17	longer	long	ADJ
eurjchem-1920	316	18	than	than	SCONJ
eurjchem-1920	316	19	the	the	DET
eurjchem-1920	316	20	vdw	vdw	NOUN
eurjchem-1920	316	21	radii	radii	VERB
eurjchem-1920	316	22	totals	total	NOUN
eurjchem-1920	316	23	.	.	PUNCT
eurjchem-1920	317	1	therefore	therefore	ADV
eurjchem-1920	317	2	,	,	PUNCT
eurjchem-1920	317	3	the	the	DET
eurjchem-1920	317	4	compound	compound	NOUN
eurjchem-1920	317	5	in	in	ADP
eurjchem-1920	317	6	the	the	DET
eurjchem-1920	317	7	crystal	crystal	NOUN
eurjchem-1920	317	8	package	package	NOUN
eurjchem-1920	317	9	is	be	AUX
eurjchem-1920	317	10	not	not	PART
eurjchem-1920	317	11	from	from	ADP
eurjchem-1920	317	12	the	the	DET
eurjchem-1920	317	13	main	main	ADJ
eurjchem-1920	317	14	intermolecular	intermolecular	ADJ
eurjchem-1920	317	15	contacts	contact	NOUN
eurjchem-1920	317	16	.	.	PUNCT
eurjchem-1920	318	1	all	all	DET
eurjchem-1920	318	2	contacts	contact	NOUN
eurjchem-1920	318	3	in	in	ADP
eurjchem-1920	318	4	the	the	DET
eurjchem-1920	318	5	crystal	crystal	NOUN
eurjchem-1920	318	6	lattice	lattice	NOUN
eurjchem-1920	318	7	of	of	ADP
eurjchem-1920	318	8	the	the	DET
eurjchem-1920	318	9	compound	compound	NOUN
eurjchem-1920	318	10	h2lnnn	h2lnnn	PROPN
eurjchem-1920	318	11	and	and	CCONJ
eurjchem-1920	318	12	the	the	DET
eurjchem-1920	318	13	proportions	proportion	NOUN
eurjchem-1920	318	14	of	of	ADP
eurjchem-1920	318	15	these	these	DET
eurjchem-1920	318	16	contacts	contact	NOUN
eurjchem-1920	318	17	are	be	AUX
eurjchem-1920	318	18	shown	show	VERB
eurjchem-1920	318	19	in	in	ADP
eurjchem-1920	318	20	figures	figure	NOUN
eurjchem-1920	318	21	8	8	NUM
eurjchem-1920	318	22	and	and	CCONJ
eurjchem-1920	318	23	9	9	NUM
eurjchem-1920	318	24	,	,	PUNCT
eurjchem-1920	318	25	respectively	respectively	ADV
eurjchem-1920	318	26	.	.	PUNCT
eurjchem-1920	319	1	4	4	X
eurjchem-1920	319	2	.	.	X
eurjchem-1920	319	3	conclusion	conclusion	VERB
eurjchem-1920	319	4	the	the	DET
eurjchem-1920	319	5	ground	ground	NOUN
eurjchem-1920	319	6	state	state	NOUN
eurjchem-1920	319	7	geometries	geometry	NOUN
eurjchem-1920	319	8	for	for	ADP
eurjchem-1920	319	9	the	the	DET
eurjchem-1920	319	10	h2lnnn	h2lnnn	NOUN
eurjchem-1920	319	11	were	be	AUX
eurjchem-1920	319	12	optimized	optimize	VERB
eurjchem-1920	319	13	using	use	VERB
eurjchem-1920	319	14	the	the	DET
eurjchem-1920	319	15	hf	hf	PROPN
eurjchem-1920	319	16	,	,	PUNCT
eurjchem-1920	319	17	blyp	blyp	X
eurjchem-1920	319	18	,	,	PUNCT
eurjchem-1920	319	19	b3lyp	b3lyp	PROPN
eurjchem-1920	319	20	,	,	PUNCT
eurjchem-1920	319	21	b3pw91	b3pw91	NOUN
eurjchem-1920	319	22	and	and	CCONJ
eurjchem-1920	319	23	mpw1pw91	mpw1pw91	NOUN
eurjchem-1920	319	24	functionals	functional	NOUN
eurjchem-1920	319	25	with	with	ADP
eurjchem-1920	319	26	6	6	NUM
eurjchem-1920	319	27	-	-	SYM
eurjchem-1920	319	28	31g(d	31g(d	NUM
eurjchem-1920	319	29	,	,	PUNCT
eurjchem-1920	319	30	p	p	NOUN
eurjchem-1920	319	31	)	)	PUNCT
eurjchem-1920	319	32	and	and	CCONJ
eurjchem-1920	319	33	6	6	NUM
eurjchem-1920	319	34	-	-	SYM
eurjchem-1920	319	35	311g(d	311g(d	NUM
eurjchem-1920	319	36	,	,	PUNCT
eurjchem-1920	319	37	p	p	NOUN
eurjchem-1920	319	38	)	)	PUNCT
eurjchem-1920	319	39	basis	basis	NOUN
eurjchem-1920	319	40	sets	set	NOUN
eurjchem-1920	319	41	.	.	PUNCT
eurjchem-1920	320	1	the	the	DET
eurjchem-1920	320	2	harmonic	harmonic	ADJ
eurjchem-1920	320	3	vibrational	vibrational	ADJ
eurjchem-1920	320	4	frequencies	frequency	NOUN
eurjchem-1920	320	5	were	be	AUX
eurjchem-1920	320	6	also	also	ADV
eurjchem-1920	320	7	calculated	calculate	VERB
eurjchem-1920	320	8	and	and	CCONJ
eurjchem-1920	320	9	scaled	scale	VERB
eurjchem-1920	320	10	values	value	NOUN
eurjchem-1920	320	11	have	have	AUX
eurjchem-1920	320	12	been	be	AUX
eurjchem-1920	320	13	compared	compare	VERB
eurjchem-1920	320	14	with	with	ADP
eurjchem-1920	320	15	an	an	DET
eurjchem-1920	320	16	experimental	experimental	ADJ
eurjchem-1920	320	17	ir	ir	NOUN
eurjchem-1920	320	18	spectrum	spectrum	NOUN
eurjchem-1920	320	19	.	.	PUNCT
eurjchem-1920	321	1	the	the	DET
eurjchem-1920	321	2	correlation	correlation	NOUN
eurjchem-1920	321	3	between	between	ADP
eurjchem-1920	321	4	the	the	DET
eurjchem-1920	321	5	calculated	calculate	VERB
eurjchem-1920	321	6	and	and	CCONJ
eurjchem-1920	321	7	experimental	experimental	ADJ
eurjchem-1920	321	8	vibration	vibration	NOUN
eurjchem-1920	321	9	frequencies	frequency	NOUN
eurjchem-1920	321	10	is	be	AUX
eurjchem-1920	321	11	characterized	characterize	VERB
eurjchem-1920	321	12	by	by	ADP
eurjchem-1920	321	13	coefficients	coefficient	NOUN
eurjchem-1920	321	14	bigger	big	ADJ
eurjchem-1920	321	15	than	than	ADP
eurjchem-1920	321	16	0.9987	0.9987	NUM
eurjchem-1920	321	17	for	for	ADP
eurjchem-1920	321	18	all	all	DET
eurjchem-1920	321	19	used	use	VERB
eurjchem-1920	321	20	methods	method	NOUN
eurjchem-1920	321	21	.	.	PUNCT
eurjchem-1920	322	1	any	any	DET
eurjchem-1920	322	2	discrepancy	discrepancy	NOUN
eurjchem-1920	322	3	noted	note	VERB
eurjchem-1920	322	4	between	between	ADP
eurjchem-1920	322	5	the	the	DET
eurjchem-1920	322	6	observed	observe	VERB
eurjchem-1920	322	7	and	and	CCONJ
eurjchem-1920	322	8	the	the	DET
eurjchem-1920	322	9	calculated	calculate	VERB
eurjchem-1920	322	10	frequencies	frequency	NOUN
eurjchem-1920	322	11	may	may	AUX
eurjchem-1920	322	12	be	be	AUX
eurjchem-1920	322	13	due	due	ADJ
eurjchem-1920	322	14	to	to	ADP
eurjchem-1920	322	15	the	the	DET
eurjchem-1920	322	16	fact	fact	NOUN
eurjchem-1920	322	17	that	that	SCONJ
eurjchem-1920	322	18	the	the	DET
eurjchem-1920	322	19	calculations	calculation	NOUN
eurjchem-1920	322	20	have	have	AUX
eurjchem-1920	322	21	been	be	AUX
eurjchem-1920	322	22	actually	actually	ADV
eurjchem-1920	322	23	done	do	VERB
eurjchem-1920	322	24	on	on	ADP
eurjchem-1920	322	25	a	a	DET
eurjchem-1920	322	26	single	single	ADJ
eurjchem-1920	322	27	molecule	molecule	NOUN
eurjchem-1920	322	28	in	in	ADP
eurjchem-1920	322	29	the	the	DET
eurjchem-1920	322	30	gaseous	gaseous	ADJ
eurjchem-1920	322	31	state	state	NOUN
eurjchem-1920	322	32	contrary	contrary	ADJ
eurjchem-1920	322	33	to	to	ADP
eurjchem-1920	322	34	the	the	DET
eurjchem-1920	322	35	experimental	experimental	ADJ
eurjchem-1920	322	36	values	value	NOUN
eurjchem-1920	322	37	recorded	record	VERB
eurjchem-1920	322	38	in	in	ADP
eurjchem-1920	322	39	the	the	DET
eurjchem-1920	322	40	presence	presence	NOUN
eurjchem-1920	322	41	of	of	ADP
eurjchem-1920	322	42	intermolecular	intermolecular	ADJ
eurjchem-1920	322	43	interactions	interaction	NOUN
eurjchem-1920	322	44	.	.	PUNCT
eurjchem-1920	323	1	the	the	DET
eurjchem-1920	323	2	computed	compute	VERB
eurjchem-1920	323	3	ir	ir	PROPN
eurjchem-1920	323	4	spectrum	spectrum	NOUN
eurjchem-1920	323	5	of	of	ADP
eurjchem-1920	323	6	the	the	DET
eurjchem-1920	323	7	h2lnnn	h2lnnn	ADJ
eurjchem-1920	323	8	molecule	molecule	NOUN
eurjchem-1920	323	9	is	be	AUX
eurjchem-1920	323	10	in	in	ADP
eurjchem-1920	323	11	good	good	ADJ
eurjchem-1920	323	12	agreement	agreement	NOUN
eurjchem-1920	323	13	with	with	ADP
eurjchem-1920	323	14	its	its	PRON
eurjchem-1920	323	15	observed	observed	ADJ
eurjchem-1920	323	16	ft	ft	NOUN
eurjchem-1920	323	17	-	-	PUNCT
eurjchem-1920	323	18	ir	ir	NOUN
eurjchem-1920	323	19	spectrum	spectrum	NOUN
eurjchem-1920	323	20	.	.	PUNCT
eurjchem-1920	324	1	the	the	DET
eurjchem-1920	324	2	ir	ir	PROPN
eurjchem-1920	324	3	spectrum	spectrum	NOUN
eurjchem-1920	324	4	of	of	ADP
eurjchem-1920	324	5	the	the	DET
eurjchem-1920	324	6	h2lnnn	h2lnnn	PROPN
eurjchem-1920	324	7	compound	compound	NOUN
eurjchem-1920	324	8	was	be	AUX
eurjchem-1920	324	9	interpreted	interpret	VERB
eurjchem-1920	324	10	in	in	ADP
eurjchem-1920	324	11	terms	term	NOUN
eurjchem-1920	324	12	of	of	ADP
eurjchem-1920	324	13	the	the	DET
eurjchem-1920	324	14	potential	potential	ADJ
eurjchem-1920	324	15	energy	energy	NOUN
eurjchem-1920	324	16	distribution	distribution	NOUN
eurjchem-1920	324	17	analysis	analysis	NOUN
eurjchem-1920	324	18	.	.	PUNCT
eurjchem-1920	325	1	optimal	optimal	ADJ
eurjchem-1920	325	2	uniform	uniform	ADJ
eurjchem-1920	325	3	scaling	scale	VERB
eurjchem-1920	325	4	factors	factor	NOUN
eurjchem-1920	325	5	were	be	AUX
eurjchem-1920	325	6	also	also	ADV
eurjchem-1920	325	7	calculated	calculate	VERB
eurjchem-1920	325	8	.	.	PUNCT
eurjchem-1920	326	1	on	on	ADP
eurjchem-1920	326	2	the	the	DET
eurjchem-1920	326	3	other	other	ADJ
eurjchem-1920	326	4	hand	hand	NOUN
eurjchem-1920	326	5	,	,	PUNCT
eurjchem-1920	326	6	the	the	DET
eurjchem-1920	326	7	supramolecular	supramolecular	ADJ
eurjchem-1920	326	8	architecture	architecture	NOUN
eurjchem-1920	326	9	of	of	ADP
eurjchem-1920	326	10	h2lnnn	h2lnnn	PROPN
eurjchem-1920	326	11	was	be	AUX
eurjchem-1920	326	12	investigated	investigate	VERB
eurjchem-1920	326	13	by	by	ADP
eurjchem-1920	326	14	the	the	DET
eurjchem-1920	326	15	xrays	xrays	PROPN
eurjchem-1920	326	16	single	single	ADJ
eurjchem-1920	326	17	crystal	crystal	NOUN
eurjchem-1920	326	18	analysis	analysis	NOUN
eurjchem-1920	326	19	and	and	CCONJ
eurjchem-1920	326	20	hirshfeld	hirshfeld	ADJ
eurjchem-1920	326	21	surface	surface	NOUN
eurjchem-1920	326	22	analysis	analysis	NOUN
eurjchem-1920	326	23	.	.	PUNCT
eurjchem-1920	327	1	it	it	PRON
eurjchem-1920	327	2	was	be	AUX
eurjchem-1920	327	3	found	find	VERB
eurjchem-1920	327	4	that	that	SCONJ
eurjchem-1920	327	5	the	the	DET
eurjchem-1920	327	6	supramolecular	supramolecular	ADJ
eurjchem-1920	327	7	structure	structure	NOUN
eurjchem-1920	327	8	in	in	ADP
eurjchem-1920	327	9	h2lnnn	h2lnnn	PROPN
eurjchem-1920	327	10	was	be	AUX
eurjchem-1920	327	11	stabilized	stabilize	VERB
eurjchem-1920	327	12	by	by	ADP
eurjchem-1920	327	13	hydrogen	hydrogen	NOUN
eurjchem-1920	327	14	bonding	bonding	NOUN
eurjchem-1920	327	15	,	,	PUNCT
eurjchem-1920	327	16	halogen···halogen	halogen···halogen	PROPN
eurjchem-1920	327	17	and	and	CCONJ
eurjchem-1920	327	18	c	c	PROPN
eurjchem-1920	327	19	halogen···π	halogen···π	ADJ
eurjchem-1920	327	20	(	(	PUNCT
eurjchem-1920	327	21	cl···cl	cl···cl	NOUN
eurjchem-1920	327	22	and	and	CCONJ
eurjchem-1920	327	23	c	c	NOUN
eurjchem-1920	327	24	-	-	PUNCT
eurjchem-1920	327	25	cl···π	cl···π	NOUN
eurjchem-1920	327	26	)	)	PUNCT
eurjchem-1920	327	27	interactions	interaction	NOUN
eurjchem-1920	327	28	.	.	PUNCT
eurjchem-1920	328	1	acknowledgements	acknowledgement	NOUN
eurjchem-1920	328	2	this	this	DET
eurjchem-1920	328	3	study	study	NOUN
eurjchem-1920	328	4	was	be	AUX
eurjchem-1920	328	5	supported	support	VERB
eurjchem-1920	328	6	by	by	ADP
eurjchem-1920	328	7	research	research	NOUN
eurjchem-1920	328	8	fund	fund	NOUN
eurjchem-1920	328	9	of	of	ADP
eurjchem-1920	328	10	mersin	mersin	PROPN
eurjchem-1920	328	11	university	university	PROPN
eurjchem-1920	328	12	in	in	ADP
eurjchem-1920	328	13	turkey	turkey	NOUN
eurjchem-1920	328	14	with	with	ADP
eurjchem-1920	328	15	project	project	NOUN
eurjchem-1920	328	16	number	number	NOUN
eurjchem-1920	328	17	:	:	PUNCT
eurjchem-1920	328	18	2018	2018	NUM
eurjchem-1920	328	19	-	-	SYM
eurjchem-1920	328	20	1	1	NUM
eurjchem-1920	328	21	-	-	PUNCT
eurjchem-1920	328	22	tp2	tp2	NOUN
eurjchem-1920	328	23	-	-	PUNCT
eurjchem-1920	328	24	2799	2799	NUM
eurjchem-1920	328	25	.	.	PUNCT
eurjchem-1920	329	1	2019	2019	NUM
eurjchem-1920	329	2	–	–	PUNCT
eurjchem-1920	329	3	european	european	ADJ
eurjchem-1920	329	4	journal	journal	NOUN
eurjchem-1920	329	5	of	of	ADP
eurjchem-1920	329	6	chemistry	chemistry	NOUN
eurjchem-1920	329	7	–	–	PUNCT
eurjchem-1920	329	8	cc	cc	NOUN
eurjchem-1920	329	9	by	by	ADP
eurjchem-1920	329	10	nc	nc	PROPN
eurjchem-1920	329	11	–	–	PUNCT
eurjchem-1920	329	12	doi	doi	NOUN
eurjchem-1920	329	13	:	:	PUNCT
eurjchem-1920	329	14	10.5155	10.5155	NUM
eurjchem-1920	329	15	/	/	SYM
eurjchem-1920	329	16	eurjchem.10.4.323	eurjchem.10.4.323	NOUN
eurjchem-1920	329	17	-	-	SYM
eurjchem-1920	329	18	335.1920	335.1920	NUM
eurjchem-1920	329	19	aydogdu	aydogdu	NOUN
eurjchem-1920	329	20	et	et	PROPN
eurjchem-1920	329	21	al	al	PROPN
eurjchem-1920	329	22	.	.	PUNCT
eurjchem-1920	329	23	/	/	SYM
eurjchem-1920	329	24	european	european	PROPN
eurjchem-1920	329	25	journal	journal	PROPN
eurjchem-1920	329	26	of	of	ADP
eurjchem-1920	329	27	chemistry	chemistry	NOUN
eurjchem-1920	329	28	10	10	NUM
eurjchem-1920	329	29	(	(	PUNCT
eurjchem-1920	329	30	4	4	NUM
eurjchem-1920	329	31	)	)	PUNCT
eurjchem-1920	329	32	(	(	PUNCT
eurjchem-1920	329	33	2019	2019	NUM
eurjchem-1920	329	34	)	)	PUNCT
eurjchem-1920	329	35	323	323	NUM
eurjchem-1920	329	36	-	-	SYM
eurjchem-1920	329	37	335	335	NUM
eurjchem-1920	329	38	335	335	NUM
eurjchem-1920	329	39	supporting	support	VERB
eurjchem-1920	329	40	information	information	NOUN
eurjchem-1920	329	41	ccdc-1951022	ccdc-1951022	NOUN
eurjchem-1920	329	42	contains	contain	VERB
eurjchem-1920	329	43	the	the	DET
eurjchem-1920	329	44	supplementary	supplementary	ADJ
eurjchem-1920	329	45	crystallographic	crystallographic	ADJ
eurjchem-1920	329	46	data	datum	NOUN
eurjchem-1920	329	47	for	for	ADP
eurjchem-1920	329	48	this	this	DET
eurjchem-1920	329	49	paper	paper	NOUN
eurjchem-1920	329	50	.	.	PUNCT
eurjchem-1920	330	1	these	these	DET
eurjchem-1920	330	2	data	datum	NOUN
eurjchem-1920	330	3	can	can	AUX
eurjchem-1920	330	4	be	be	AUX
eurjchem-1920	330	5	obtained	obtain	VERB
eurjchem-1920	330	6	free	free	ADJ
eurjchem-1920	330	7	of	of	ADP
eurjchem-1920	330	8	charge	charge	NOUN
eurjchem-1920	330	9	via	via	ADP
eurjchem-1920	330	10	https://www.ccdc.cam.ac.uk/structures/	https://www.ccdc.cam.ac.uk/structures/	PROPN
eurjchem-1920	330	11	,	,	PUNCT
eurjchem-1920	330	12	or	or	CCONJ
eurjchem-1920	330	13	by	by	ADP
eurjchem-1920	330	14	e	e	NOUN
eurjchem-1920	330	15	-	-	ADJ
eurjchem-1920	330	16	mailing	mailing	ADJ
eurjchem-1920	330	17	data_request@ccdc.cam.ac.uk	data_request@ccdc.cam.ac.uk	PROPN
eurjchem-1920	330	18	,	,	PUNCT
eurjchem-1920	330	19	or	or	CCONJ
eurjchem-1920	330	20	by	by	ADP
eurjchem-1920	330	21	contacting	contact	VERB
eurjchem-1920	330	22	the	the	DET
eurjchem-1920	330	23	cambridge	cambridge	PROPN
eurjchem-1920	330	24	crystallographic	crystallographic	PROPN
eurjchem-1920	330	25	data	data	PROPN
eurjchem-1920	330	26	centre	centre	NOUN
eurjchem-1920	330	27	,	,	PUNCT
eurjchem-1920	330	28	12	12	NUM
eurjchem-1920	330	29	union	union	NOUN
eurjchem-1920	330	30	road	road	NOUN
eurjchem-1920	330	31	,	,	PUNCT
eurjchem-1920	330	32	cambridge	cambridge	PROPN
eurjchem-1920	330	33	cb2	cb2	PROPN
eurjchem-1920	330	34	1ez	1ez	PROPN
eurjchem-1920	330	35	,	,	PUNCT
eurjchem-1920	330	36	uk	uk	PROPN
eurjchem-1920	330	37	;	;	PUNCT
eurjchem-1920	330	38	fax	fax	NOUN
eurjchem-1920	330	39	:	:	PUNCT
eurjchem-1920	330	40	+44(0)1223	+44(0)1223	PROPN
eurjchem-1920	330	41	-	-	PUNCT
eurjchem-1920	330	42	336033	336033	NUM
eurjchem-1920	330	43	.	.	PUNCT
eurjchem-1920	331	1	disclosure	disclosure	NOUN
eurjchem-1920	331	2	statement	statement	NOUN
eurjchem-1920	331	3	conflict	conflict	NOUN
eurjchem-1920	331	4	of	of	ADP
eurjchem-1920	331	5	interests	interest	NOUN
eurjchem-1920	331	6	:	:	PUNCT
eurjchem-1920	331	7	the	the	DET
eurjchem-1920	331	8	authors	author	NOUN
eurjchem-1920	331	9	declare	declare	VERB
eurjchem-1920	331	10	that	that	SCONJ
eurjchem-1920	331	11	they	they	PRON
eurjchem-1920	331	12	have	have	VERB
eurjchem-1920	331	13	no	no	DET
eurjchem-1920	331	14	conflict	conflict	NOUN
eurjchem-1920	331	15	of	of	ADP
eurjchem-1920	331	16	interest	interest	NOUN
eurjchem-1920	331	17	.	.	PUNCT
eurjchem-1920	332	1	author	author	NOUN
eurjchem-1920	332	2	contributions	contribution	NOUN
eurjchem-1920	332	3	:	:	PUNCT
eurjchem-1920	332	4	all	all	DET
eurjchem-1920	332	5	authors	author	NOUN
eurjchem-1920	332	6	contributed	contribute	VERB
eurjchem-1920	332	7	equally	equally	ADV
eurjchem-1920	332	8	to	to	ADP
eurjchem-1920	332	9	this	this	DET
eurjchem-1920	332	10	work	work	NOUN
eurjchem-1920	332	11	.	.	PUNCT
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eurjchem-1920	336	19	]	]	PUNCT
eurjchem-1920	336	20	.	.	PUNCT
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eurjchem-1920	422	5	design	design	NOUN
eurjchem-1920	422	6	studies	study	NOUN
eurjchem-1920	422	7	for	for	ADP
eurjchem-1920	422	8	metal	metal	NOUN
eurjchem-1920	422	9	catalyzed	catalyze	VERB
eurjchem-1920	422	10	oxidation	oxidation	NOUN
eurjchem-1920	422	11	reactions	reaction	NOUN
eurjchem-1920	422	12	,	,	PUNCT
eurjchem-1920	422	13	tubitak	tubitak	NOUN
eurjchem-1920	422	14	project	project	NOUN
eurjchem-1920	422	15	no	no	NOUN
eurjchem-1920	422	16	:	:	PUNCT
eurjchem-1920	422	17	112t322	112t322	PROPN
eurjchem-1920	422	18	(	(	PUNCT
eurjchem-1920	422	19	2012	2012	NUM
eurjchem-1920	422	20	)	)	PUNCT
eurjchem-1920	422	21	.	.	PUNCT
eurjchem-1920	423	1	[	[	X
eurjchem-1920	423	2	25	25	NUM
eurjchem-1920	423	3	]	]	PUNCT
eurjchem-1920	423	4	.	.	PUNCT
eurjchem-1920	423	5	frisch	frisch	PROPN
eurjchem-1920	423	6	,	,	PUNCT
eurjchem-1920	423	7	m.	m.	NOUN
eurjchem-1920	423	8	j.	j.	PROPN
eurjchem-1920	423	9	;	;	PUNCT
eurjchem-1920	423	10	trucks	truck	NOUN
eurjchem-1920	423	11	,	,	PUNCT
eurjchem-1920	423	12	g.	g.	PROPN
eurjchem-1920	423	13	w.	w.	PROPN
eurjchem-1920	423	14	;	;	PUNCT
eurjchem-1920	423	15	schlegel	schlegel	PROPN
eurjchem-1920	423	16	,	,	PUNCT
eurjchem-1920	423	17	h.	h.	PROPN
eurjchem-1920	423	18	b.	b.	PROPN
eurjchem-1920	423	19	;	;	PUNCT
eurjchem-1920	423	20	scuseria	scuseria	PROPN
eurjchem-1920	423	21	,	,	PUNCT
eurjchem-1920	423	22	g.	g.	PROPN
eurjchem-1920	423	23	e.	e.	PROPN
eurjchem-1920	423	24	;	;	PUNCT
eurjchem-1920	423	25	robb	robb	NOUN
eurjchem-1920	423	26	,	,	PUNCT
eurjchem-1920	423	27	m.	m.	NOUN
eurjchem-1920	423	28	a.	a.	PROPN
eurjchem-1920	423	29	;	;	PUNCT
eurjchem-1920	423	30	cheeseman	cheeseman	PROPN
eurjchem-1920	423	31	,	,	PUNCT
eurjchem-1920	423	32	j.	j.	PROPN
eurjchem-1920	423	33	r.	r.	PROPN
eurjchem-1920	423	34	;	;	PUNCT
eurjchem-1920	423	35	scalmani	scalmani	PROPN
eurjchem-1920	423	36	,	,	PUNCT
eurjchem-1920	423	37	g.	g.	PROPN
eurjchem-1920	423	38	;	;	PUNCT
eurjchem-1920	423	39	barone	barone	PROPN
eurjchem-1920	423	40	,	,	PUNCT
eurjchem-1920	423	41	v.	v.	PROPN
eurjchem-1920	423	42	;	;	PUNCT
eurjchem-1920	423	43	petersson	petersson	NOUN
eurjchem-1920	423	44	,	,	PUNCT
eurjchem-1920	423	45	g.	g.	PROPN
eurjchem-1920	423	46	a.	a.	PROPN
eurjchem-1920	423	47	;	;	PUNCT
eurjchem-1920	423	48	nakatsuji	nakatsuji	PROPN
eurjchem-1920	423	49	,	,	PUNCT
eurjchem-1920	423	50	h.	h.	PROPN
eurjchem-1920	423	51	;	;	PUNCT
eurjchem-1920	423	52	li	li	PROPN
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eurjchem-1920	423	54	x.	x.	PROPN
eurjchem-1920	423	55	;	;	PUNCT
eurjchem-1920	423	56	caricato	caricato	PROPN
eurjchem-1920	423	57	,	,	PUNCT
eurjchem-1920	423	58	m.	m.	NOUN
eurjchem-1920	423	59	;	;	PUNCT
eurjchem-1920	423	60	marenich	marenich	PROPN
eurjchem-1920	423	61	,	,	PUNCT
eurjchem-1920	423	62	a.	a.	PROPN
eurjchem-1920	423	63	v.	v.	PROPN
eurjchem-1920	423	64	;	;	PUNCT
eurjchem-1920	423	65	bloino	bloino	NOUN
eurjchem-1920	423	66	,	,	PUNCT
eurjchem-1920	423	67	j.	j.	PROPN
eurjchem-1920	423	68	;	;	PUNCT
eurjchem-1920	423	69	janesko	janesko	ADV
eurjchem-1920	423	70	,	,	PUNCT
eurjchem-1920	423	71	b.	b.	PROPN
eurjchem-1920	423	72	g.	g.	PROPN
eurjchem-1920	423	73	;	;	PUNCT
eurjchem-1920	423	74	gomperts	gomperts	PROPN
eurjchem-1920	423	75	,	,	PUNCT
eurjchem-1920	423	76	r.	r.	PROPN
eurjchem-1920	423	77	;	;	PUNCT
eurjchem-1920	423	78	mennucci	mennucci	PROPN
eurjchem-1920	423	79	,	,	PUNCT
eurjchem-1920	423	80	b.	b.	PROPN
eurjchem-1920	423	81	;	;	PUNCT
eurjchem-1920	423	82	hratchian	hratchian	PROPN
eurjchem-1920	423	83	,	,	PUNCT
eurjchem-1920	423	84	h.	h.	PROPN
eurjchem-1920	423	85	p.	p.	PROPN
eurjchem-1920	423	86	;	;	PUNCT
eurjchem-1920	423	87	ortiz	ortiz	PROPN
eurjchem-1920	423	88	,	,	PUNCT
eurjchem-1920	423	89	j.	j.	PROPN
eurjchem-1920	423	90	v.	v.	PROPN
eurjchem-1920	423	91	;	;	PUNCT
eurjchem-1920	423	92	izmaylov	izmaylov	ADJ
eurjchem-1920	423	93	,	,	PUNCT
eurjchem-1920	423	94	a.	a.	PROPN
eurjchem-1920	423	95	f.	f.	PROPN
eurjchem-1920	423	96	;	;	PUNCT
eurjchem-1920	423	97	sonnenberg	sonnenberg	PROPN
eurjchem-1920	423	98	,	,	PUNCT
eurjchem-1920	423	99	j.	j.	PROPN
eurjchem-1920	423	100	l.	l.	PROPN
eurjchem-1920	423	101	;	;	PUNCT
eurjchem-1920	423	102	williams	williams	PROPN
eurjchem-1920	423	103	-	-	PUNCT
eurjchem-1920	423	104	young	young	PROPN
eurjchem-1920	423	105	,	,	PUNCT
eurjchem-1920	423	106	d.	d.	PROPN
eurjchem-1920	423	107	;	;	PUNCT
eurjchem-1920	423	108	ding	ding	PROPN
eurjchem-1920	423	109	,	,	PUNCT
eurjchem-1920	423	110	f.	f.	PROPN
eurjchem-1920	423	111	;	;	PUNCT
eurjchem-1920	423	112	lipparini	lipparini	PROPN
eurjchem-1920	423	113	,	,	PUNCT
eurjchem-1920	423	114	f.	f.	PROPN
eurjchem-1920	423	115	;	;	PUNCT
eurjchem-1920	423	116	egidi	egidi	PROPN
eurjchem-1920	423	117	,	,	PUNCT
eurjchem-1920	423	118	f.	f.	PROPN
eurjchem-1920	423	119	;	;	PUNCT
eurjchem-1920	423	120	goings	going	NOUN
eurjchem-1920	423	121	,	,	PUNCT
eurjchem-1920	423	122	j.	j.	PROPN
eurjchem-1920	423	123	;	;	PUNCT
eurjchem-1920	423	124	peng	peng	PROPN
eurjchem-1920	423	125	,	,	PUNCT
eurjchem-1920	423	126	b.	b.	PROPN
eurjchem-1920	423	127	;	;	PUNCT
eurjchem-1920	423	128	petrone	petrone	NOUN
eurjchem-1920	423	129	,	,	PUNCT
eurjchem-1920	423	130	a.	a.	NOUN
eurjchem-1920	423	131	;	;	PUNCT
eurjchem-1920	423	132	henderson	henderson	PROPN
eurjchem-1920	423	133	,	,	PUNCT
eurjchem-1920	423	134	t.	t.	PROPN
eurjchem-1920	423	135	;	;	PUNCT
eurjchem-1920	423	136	ranasinghe	ranasinghe	NOUN
eurjchem-1920	423	137	,	,	PUNCT
eurjchem-1920	423	138	d.	d.	PROPN
eurjchem-1920	423	139	;	;	PUNCT
eurjchem-1920	423	140	zakrzewski	zakrzewski	PROPN
eurjchem-1920	423	141	,	,	PUNCT
eurjchem-1920	423	142	v.	v.	PROPN
eurjchem-1920	423	143	g.	g.	PROPN
eurjchem-1920	423	144	;	;	PUNCT
eurjchem-1920	423	145	gao	gao	PROPN
eurjchem-1920	423	146	,	,	PUNCT
eurjchem-1920	423	147	j.	j.	PROPN
eurjchem-1920	423	148	;	;	PUNCT
eurjchem-1920	423	149	rega	rega	PROPN
eurjchem-1920	423	150	,	,	PUNCT
eurjchem-1920	423	151	n.	n.	PROPN
eurjchem-1920	423	152	;	;	PUNCT
eurjchem-1920	423	153	zheng	zheng	PROPN
eurjchem-1920	423	154	,	,	PUNCT
eurjchem-1920	423	155	g.	g.	PROPN
eurjchem-1920	423	156	;	;	PUNCT
eurjchem-1920	423	157	liang	liang	PROPN
eurjchem-1920	423	158	,	,	PUNCT
eurjchem-1920	423	159	w.	w.	PROPN
eurjchem-1920	423	160	;	;	PUNCT
eurjchem-1920	423	161	hada	hada	PROPN
eurjchem-1920	423	162	,	,	PUNCT
eurjchem-1920	423	163	m.	m.	NOUN
eurjchem-1920	423	164	;	;	PUNCT
eurjchem-1920	423	165	ehara	ehara	PROPN
eurjchem-1920	423	166	,	,	PUNCT
eurjchem-1920	423	167	m.	m.	NOUN
eurjchem-1920	423	168	;	;	PUNCT
eurjchem-1920	423	169	toyota	toyota	PROPN
eurjchem-1920	423	170	,	,	PUNCT
eurjchem-1920	423	171	k.	k.	PROPN
eurjchem-1920	423	172	;	;	PUNCT
eurjchem-1920	423	173	fukuda	fukuda	PROPN
eurjchem-1920	423	174	,	,	PUNCT
eurjchem-1920	423	175	r.	r.	PROPN
eurjchem-1920	423	176	;	;	PUNCT
eurjchem-1920	423	177	hasegawa	hasegawa	PROPN
eurjchem-1920	423	178	,	,	PUNCT
eurjchem-1920	423	179	j.	j.	PROPN
eurjchem-1920	423	180	;	;	PUNCT
eurjchem-1920	423	181	ishida	ishida	PROPN
eurjchem-1920	423	182	,	,	PUNCT
eurjchem-1920	423	183	m.	m.	NOUN
eurjchem-1920	423	184	;	;	PUNCT
eurjchem-1920	423	185	nakajima	nakajima	PROPN
eurjchem-1920	423	186	,	,	PUNCT
eurjchem-1920	423	187	t.	t.	PROPN
eurjchem-1920	423	188	;	;	PUNCT
eurjchem-1920	423	189	honda	honda	NOUN
eurjchem-1920	423	190	,	,	PUNCT
eurjchem-1920	423	191	y.	y.	PROPN
eurjchem-1920	423	192	;	;	PUNCT
eurjchem-1920	423	193	kitao	kitao	PROPN
eurjchem-1920	423	194	,	,	PUNCT
eurjchem-1920	423	195	o.	o.	PROPN
eurjchem-1920	423	196	;	;	PUNCT
eurjchem-1920	423	197	nakai	nakai	PROPN
eurjchem-1920	423	198	,	,	PUNCT
eurjchem-1920	423	199	h.	h.	PROPN
eurjchem-1920	423	200	;	;	PUNCT
eurjchem-1920	423	201	vreven	vreven	VERB
eurjchem-1920	423	202	,	,	PUNCT
eurjchem-1920	423	203	t.	t.	PROPN
eurjchem-1920	423	204	;	;	PUNCT
eurjchem-1920	423	205	throssell	throssell	NOUN
eurjchem-1920	423	206	,	,	PUNCT
eurjchem-1920	423	207	k.	k.	PROPN
eurjchem-1920	423	208	;	;	PUNCT
eurjchem-1920	423	209	montgomery	montgomery	PROPN
eurjchem-1920	423	210	,	,	PUNCT
eurjchem-1920	423	211	j.	j.	PROPN
eurjchem-1920	423	212	a.	a.	PROPN
eurjchem-1920	423	213	;	;	PUNCT
eurjchem-1920	423	214	jr	jr	PROPN
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eurjchem-1920	423	216	;	;	PUNCT
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eurjchem-1920	423	218	,	,	PUNCT
eurjchem-1920	423	219	j.	j.	PROPN
eurjchem-1920	423	220	e.	e.	PROPN
eurjchem-1920	423	221	;	;	PUNCT
eurjchem-1920	423	222	ogliaro	ogliaro	PROPN
eurjchem-1920	423	223	,	,	PUNCT
eurjchem-1920	423	224	f.	f.	PROPN
eurjchem-1920	423	225	;	;	PUNCT
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eurjchem-1920	423	229	j.	j.	PROPN
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eurjchem-1920	423	231	heyd	heyd	PROPN
eurjchem-1920	423	232	,	,	PUNCT
eurjchem-1920	423	233	j.	j.	PROPN
eurjchem-1920	423	234	j.	j.	PROPN
eurjchem-1920	423	235	;	;	PUNCT
eurjchem-1920	423	236	brothers	brother	NOUN
eurjchem-1920	423	237	,	,	PUNCT
eurjchem-1920	423	238	e.	e.	PROPN
eurjchem-1920	423	239	n.	n.	PROPN
eurjchem-1920	423	240	;	;	PUNCT
eurjchem-1920	423	241	kudin	kudin	PROPN
eurjchem-1920	423	242	,	,	PUNCT
eurjchem-1920	423	243	k.	k.	PROPN
eurjchem-1920	423	244	n.	n.	PROPN
eurjchem-1920	423	245	;	;	PUNCT
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eurjchem-1920	423	247	,	,	PUNCT
eurjchem-1920	423	248	v.	v.	ADP
eurjchem-1920	423	249	n.	n.	NOUN
eurjchem-1920	423	250	;	;	PUNCT
eurjchem-1920	423	251	keith	keith	PROPN
eurjchem-1920	423	252	,	,	PUNCT
eurjchem-1920	423	253	t.	t.	PROPN
eurjchem-1920	423	254	a.	a.	PROPN
eurjchem-1920	423	255	;	;	PUNCT
eurjchem-1920	423	256	kobayashi	kobayashi	PROPN
eurjchem-1920	423	257	,	,	PUNCT
eurjchem-1920	423	258	r.	r.	PROPN
eurjchem-1920	423	259	;	;	PUNCT
eurjchem-1920	423	260	normand	normand	PROPN
eurjchem-1920	423	261	,	,	PUNCT
eurjchem-1920	423	262	j.	j.	PROPN
eurjchem-1920	423	263	;	;	PUNCT
eurjchem-1920	423	264	raghavachari	raghavachari	PROPN
eurjchem-1920	423	265	,	,	PUNCT
eurjchem-1920	423	266	k.	k.	PROPN
eurjchem-1920	423	267	;	;	PUNCT
eurjchem-1920	423	268	rendell	rendell	PROPN
eurjchem-1920	423	269	,	,	PUNCT
eurjchem-1920	423	270	a.	a.	NOUN
eurjchem-1920	423	271	p.	p.	NOUN
eurjchem-1920	423	272	;	;	PUNCT
eurjchem-1920	423	273	burant	burant	PROPN
eurjchem-1920	423	274	,	,	PUNCT
eurjchem-1920	423	275	j.	j.	PROPN
eurjchem-1920	423	276	c.	c.	PROPN
eurjchem-1920	423	277	;	;	PUNCT
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eurjchem-1920	423	279	,	,	PUNCT
eurjchem-1920	423	280	s.	s.	PROPN
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eurjchem-1920	423	285	j.	j.	PROPN
eurjchem-1920	423	286	;	;	PUNCT
eurjchem-1920	423	287	cossi	cossi	PROPN
eurjchem-1920	423	288	,	,	PUNCT
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eurjchem-1920	423	290	;	;	PUNCT
eurjchem-1920	423	291	millam	millam	PROPN
eurjchem-1920	423	292	,	,	PUNCT
eurjchem-1920	423	293	j.	j.	PROPN
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eurjchem-1920	423	299	;	;	PUNCT
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eurjchem-1920	423	304	cammi	cammi	PROPN
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eurjchem-1920	423	313	martin	martin	PROPN
eurjchem-1920	423	314	,	,	PUNCT
eurjchem-1920	423	315	r.	r.	PROPN
eurjchem-1920	423	316	l.	l.	PROPN
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eurjchem-1920	423	319	,	,	PUNCT
eurjchem-1920	423	320	k.	k.	PROPN
eurjchem-1920	423	321	;	;	PUNCT
eurjchem-1920	423	322	farkas	farkas	PROPN
eurjchem-1920	423	323	,	,	PUNCT
eurjchem-1920	423	324	o.	o.	PROPN
eurjchem-1920	423	325	;	;	PUNCT
eurjchem-1920	423	326	foresman	foresman	PROPN
eurjchem-1920	423	327	,	,	PUNCT
eurjchem-1920	423	328	j.	j.	PROPN
eurjchem-1920	423	329	b.	b.	PROPN
eurjchem-1920	423	330	;	;	PUNCT
eurjchem-1920	423	331	fox	fox	PROPN
eurjchem-1920	423	332	,	,	PUNCT
eurjchem-1920	423	333	d.	d.	PROPN
eurjchem-1920	423	334	j.	j.	PROPN
eurjchem-1920	423	335	gaussian	gaussian	PROPN
eurjchem-1920	423	336	16	16	NUM
eurjchem-1920	423	337	,	,	PUNCT
eurjchem-1920	423	338	revision	revision	NOUN
eurjchem-1920	423	339	c.01	c.01	PROPN
eurjchem-1920	423	340	,	,	PUNCT
eurjchem-1920	423	341	gaussian	gaussian	PROPN
eurjchem-1920	423	342	,	,	PUNCT
eurjchem-1920	423	343	inc	inc	PROPN
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eurjchem-1920	423	345	;	;	PUNCT
eurjchem-1920	423	346	wallingford	wallingford	PROPN
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eurjchem-1920	423	349	2016	2016	NUM
eurjchem-1920	423	350	.	.	PUNCT
eurjchem-1920	424	1	[	[	X
eurjchem-1920	424	2	26	26	NUM
eurjchem-1920	424	3	]	]	PUNCT
eurjchem-1920	424	4	.	.	PUNCT
eurjchem-1920	425	1	foresman	foresman	PROPN
eurjchem-1920	425	2	,	,	PUNCT
eurjchem-1920	425	3	b.	b.	PROPN
eurjchem-1920	425	4	;	;	PUNCT
eurjchem-1920	425	5	frisch	frisch	PROPN
eurjchem-1920	425	6	,	,	PUNCT
eurjchem-1920	425	7	e.	e.	PROPN
eurjchem-1920	425	8	exploring	explore	VERB
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eurjchem-1920	425	12	structure	structure	NOUN
eurjchem-1920	425	13	methods	method	NOUN
eurjchem-1920	425	14	:	:	PUNCT
eurjchem-1920	425	15	a	a	DET
eurjchem-1920	425	16	guide	guide	NOUN
eurjchem-1920	425	17	to	to	ADP
eurjchem-1920	425	18	using	use	VERB
eurjchem-1920	425	19	gaussian	gaussian	NOUN
eurjchem-1920	425	20	,	,	PUNCT
eurjchem-1920	425	21	gaussian	gaussian	ADJ
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eurjchem-1920	425	23	,	,	PUNCT
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eurjchem-1920	425	25	,	,	PUNCT
eurjchem-1920	425	26	1993	1993	NUM
eurjchem-1920	425	27	.	.	PUNCT
eurjchem-1920	426	1	[	[	X
eurjchem-1920	426	2	27	27	NUM
eurjchem-1920	426	3	]	]	PUNCT
eurjchem-1920	426	4	.	.	PUNCT
eurjchem-1920	427	1	scott	scott	PROPN
eurjchem-1920	427	2	,	,	PUNCT
eurjchem-1920	427	3	a.	a.	NOUN
eurjchem-1920	427	4	p.	p.	NOUN
eurjchem-1920	427	5	;	;	PUNCT
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eurjchem-1920	427	7	,	,	PUNCT
eurjchem-1920	427	8	l.	l.	PROPN
eurjchem-1920	427	9	j.	j.	PROPN
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eurjchem-1920	428	1	1996	1996	NUM
eurjchem-1920	428	2	,	,	PUNCT
eurjchem-1920	428	3	100	100	NUM
eurjchem-1920	428	4	,	,	PUNCT
eurjchem-1920	428	5	16502	16502	NUM
eurjchem-1920	428	6	-	-	SYM
eurjchem-1920	428	7	16513	16513	NUM
eurjchem-1920	428	8	.	.	PUNCT
eurjchem-1920	429	1	[	[	X
eurjchem-1920	429	2	28	28	NUM
eurjchem-1920	429	3	]	]	PUNCT
eurjchem-1920	429	4	.	.	PUNCT
eurjchem-1920	430	1	arslan	arslan	PROPN
eurjchem-1920	430	2	,	,	PUNCT
eurjchem-1920	430	3	h.	h.	PROPN
eurjchem-1920	430	4	;	;	PUNCT
eurjchem-1920	430	5	algul	algul	ADJ
eurjchem-1920	430	6	,	,	PUNCT
eurjchem-1920	430	7	o.	o.	PROPN
eurjchem-1920	430	8	;	;	PUNCT
eurjchem-1920	430	9	dundar	dundar	PROPN
eurjchem-1920	430	10	,	,	PUNCT
eurjchem-1920	430	11	y.	y.	PROPN
eurjchem-1920	430	12	vib	vib	PROPN
eurjchem-1920	430	13	.	.	PUNCT
eurjchem-1920	430	14	spectrosc	spectrosc	PROPN
eurjchem-1920	430	15	.	.	PUNCT
eurjchem-1920	431	1	2007	2007	NUM
eurjchem-1920	431	2	,	,	PUNCT
eurjchem-1920	431	3	44	44	NUM
eurjchem-1920	431	4	,	,	PUNCT
eurjchem-1920	431	5	248	248	NUM
eurjchem-1920	431	6	-	-	SYM
eurjchem-1920	431	7	255	255	NUM
eurjchem-1920	432	1	[	[	X
eurjchem-1920	432	2	29	29	NUM
eurjchem-1920	432	3	]	]	PUNCT
eurjchem-1920	432	4	.	.	PUNCT
eurjchem-1920	433	1	arslan	arslan	PROPN
eurjchem-1920	433	2	,	,	PUNCT
eurjchem-1920	433	3	h.	h.	PROPN
eurjchem-1920	433	4	;	;	PUNCT
eurjchem-1920	433	5	algul	algul	ADJ
eurjchem-1920	433	6	,	,	PUNCT
eurjchem-1920	433	7	o.	o.	PROPN
eurjchem-1920	433	8	spectrochim	spectrochim	PROPN
eurjchem-1920	433	9	.	.	PUNCT
eurjchem-1920	434	1	acta	acta	PROPN
eurjchem-1920	434	2	a	a	DET
eurjchem-1920	434	3	2008	2008	NUM
eurjchem-1920	434	4	,	,	PUNCT
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eurjchem-1920	434	6	,	,	PUNCT
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eurjchem-1920	434	8	-	-	SYM
eurjchem-1920	434	9	116	116	NUM
eurjchem-1920	435	1	[	[	NOUN
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eurjchem-1920	435	3	]	]	PUNCT
eurjchem-1920	435	4	.	.	PUNCT
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eurjchem-1920	436	2	,	,	PUNCT
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eurjchem-1920	436	4	;	;	PUNCT
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eurjchem-1920	436	6	,	,	PUNCT
eurjchem-1920	436	7	f.	f.	PROPN
eurjchem-1920	436	8	;	;	PUNCT
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eurjchem-1920	436	10	,	,	PUNCT
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eurjchem-1920	436	12	;	;	PUNCT
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eurjchem-1920	436	14	,	,	PUNCT
eurjchem-1920	436	15	h.	h.	PROPN
eurjchem-1920	436	16	spectrochim	spectrochim	PROPN
eurjchem-1920	436	17	.	.	PUNCT
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eurjchem-1920	437	2	a	a	DET
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eurjchem-1920	437	4	,	,	PUNCT
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eurjchem-1920	437	6	,	,	PUNCT
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eurjchem-1920	437	8	-	-	SYM
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eurjchem-1920	438	3	]	]	PUNCT
eurjchem-1920	438	4	.	.	PUNCT
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eurjchem-1920	439	2	,	,	PUNCT
eurjchem-1920	439	3	h.	h.	PROPN
eurjchem-1920	439	4	;	;	PUNCT
eurjchem-1920	439	5	mansuroglu	mansuroglu	PROPN
eurjchem-1920	439	6	,	,	PUNCT
eurjchem-1920	439	7	d.	d.	PROPN
eurjchem-1920	439	8	;	;	PUNCT
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eurjchem-1920	439	10	,	,	PUNCT
eurjchem-1920	439	11	d.	d.	PROPN
eurjchem-1920	439	12	;	;	PUNCT
eurjchem-1920	439	13	binzet	binzet	PROPN
eurjchem-1920	439	14	,	,	PUNCT
eurjchem-1920	439	15	g.	g.	PROPN
eurjchem-1920	439	16	spectrochim	spectrochim	PROPN
eurjchem-1920	439	17	.	.	PUNCT
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eurjchem-1920	440	2	a	a	DET
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eurjchem-1920	440	4	,	,	PUNCT
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eurjchem-1920	440	6	,	,	PUNCT
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eurjchem-1920	440	8	-	-	SYM
eurjchem-1920	440	9	571	571	NUM
eurjchem-1920	440	10	.	.	PUNCT
eurjchem-1920	441	1	[	[	X
eurjchem-1920	441	2	32	32	NUM
eurjchem-1920	441	3	]	]	PUNCT
eurjchem-1920	441	4	.	.	PUNCT
eurjchem-1920	442	1	arslan	arslan	PROPN
eurjchem-1920	442	2	,	,	PUNCT
eurjchem-1920	442	3	h.	h.	PROPN
eurjchem-1920	442	4	;	;	PUNCT
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eurjchem-1920	442	6	,	,	PUNCT
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eurjchem-1920	442	9	.	.	PUNCT
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eurjchem-1920	443	3	.	.	PUNCT
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eurjchem-1920	444	2	.	.	PROPN
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eurjchem-1920	444	4	,	,	PUNCT
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eurjchem-1920	444	6	,	,	PUNCT
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eurjchem-1920	444	8	-	-	SYM
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eurjchem-1920	445	3	]	]	PUNCT
eurjchem-1920	445	4	.	.	PUNCT
eurjchem-1920	446	1	arslan	arslan	PROPN
eurjchem-1920	446	2	,	,	PUNCT
eurjchem-1920	446	3	h.	h.	PROPN
eurjchem-1920	446	4	;	;	PUNCT
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eurjchem-1920	446	6	,	,	PUNCT
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eurjchem-1920	446	8	;	;	PUNCT
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eurjchem-1920	446	17	.	.	PUNCT
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eurjchem-1920	447	4	,	,	PUNCT
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eurjchem-1920	448	3	]	]	PUNCT
eurjchem-1920	448	4	.	.	PUNCT
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eurjchem-1920	449	2	,	,	PUNCT
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eurjchem-1920	449	12	m.	m.	PROPN
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eurjchem-1920	450	3	]	]	PUNCT
eurjchem-1920	450	4	.	.	PUNCT
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eurjchem-1920	451	2	,	,	PUNCT
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eurjchem-1920	451	4	n.	n.	PROPN
eurjchem-1920	451	5	j.	j.	PROPN
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eurjchem-1920	451	7	.	.	PROPN
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eurjchem-1920	452	2	,	,	PUNCT
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eurjchem-1920	452	4	-	-	SYM
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eurjchem-1920	453	3	]	]	PUNCT
eurjchem-1920	453	4	.	.	PUNCT
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eurjchem-1920	454	2	,	,	PUNCT
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eurjchem-1920	456	2	,	,	PUNCT
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eurjchem-1920	456	4	)	)	PUNCT
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eurjchem-1920	457	4	.	.	PUNCT
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eurjchem-1920	460	12	,	,	PUNCT
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eurjchem-1920	461	2	.	.	PROPN
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eurjchem-1920	461	6	)	)	PUNCT
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eurjchem-1920	465	2	.	.	PUNCT
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eurjchem-1920	466	2	,	,	PUNCT
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eurjchem-1920	472	2	,	,	PUNCT
eurjchem-1920	472	3	h.	h.	PROPN
eurjchem-1920	472	4	;	;	PUNCT
eurjchem-1920	472	5	florke	florke	PROPN
eurjchem-1920	472	6	,	,	PUNCT
eurjchem-1920	472	7	u.	u.	PROPN
eurjchem-1920	472	8	;	;	PUNCT
eurjchem-1920	472	9	kulcu	kulcu	PROPN
eurjchem-1920	472	10	,	,	PUNCT
eurjchem-1920	472	11	n.	n.	PROPN
eurjchem-1920	472	12	spectrochim	spectrochim	PROPN
eurjchem-1920	472	13	.	.	PUNCT
eurjchem-1920	473	1	acta	acta	PROPN
eurjchem-1920	473	2	a	a	DET
eurjchem-1920	473	3	2007	2007	NUM
eurjchem-1920	473	4	,	,	PUNCT
eurjchem-1920	473	5	67(3	67(3	NUM
eurjchem-1920	473	6	-	-	SYM
eurjchem-1920	473	7	4	4	NUM
eurjchem-1920	473	8	)	)	PUNCT
eurjchem-1920	473	9	,	,	PUNCT
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eurjchem-1920	473	11	-	-	SYM
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eurjchem-1920	473	13	.	.	PUNCT
eurjchem-1920	474	1	[	[	X
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eurjchem-1920	474	3	]	]	PUNCT
eurjchem-1920	474	4	.	.	PUNCT
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eurjchem-1920	475	2	,	,	PUNCT
eurjchem-1920	475	3	t.	t.	PROPN
eurjchem-1920	475	4	;	;	PUNCT
eurjchem-1920	475	5	binzet	binzet	PROPN
eurjchem-1920	475	6	,	,	PUNCT
eurjchem-1920	475	7	g.	g.	PROPN
eurjchem-1920	475	8	;	;	PUNCT
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eurjchem-1920	475	10	,	,	PUNCT
eurjchem-1920	475	11	f.	f.	PROPN
eurjchem-1920	475	12	m.	m.	PROPN
eurjchem-1920	475	13	;	;	PUNCT
eurjchem-1920	475	14	florke	florke	PROPN
eurjchem-1920	475	15	,	,	PUNCT
eurjchem-1920	475	16	u.	u.	PROPN
eurjchem-1920	475	17	;	;	PUNCT
eurjchem-1920	475	18	kulcu	kulcu	PROPN
eurjchem-1920	475	19	,	,	PUNCT
eurjchem-1920	475	20	n.	n.	PROPN
eurjchem-1920	475	21	;	;	PUNCT
eurjchem-1920	475	22	arslan	arslan	PROPN
eurjchem-1920	475	23	,	,	PUNCT
eurjchem-1920	475	24	h.	h.	PROPN
eurjchem-1920	475	25	eur	eur	PROPN
eurjchem-1920	475	26	.	.	PUNCT
eurjchem-1920	476	1	j.	j.	PROPN
eurjchem-1920	476	2	chem	chem	PROPN
eurjchem-1920	476	3	.	.	PUNCT
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eurjchem-1920	477	2	,	,	PUNCT
eurjchem-1920	477	3	1(1	1(1	NUM
eurjchem-1920	477	4	)	)	PUNCT
eurjchem-1920	477	5	,	,	PUNCT
eurjchem-1920	477	6	1	1	NUM
eurjchem-1920	477	7	-	-	SYM
eurjchem-1920	477	8	5	5	NUM
eurjchem-1920	477	9	.	.	PUNCT
eurjchem-1920	478	1	[	[	X
eurjchem-1920	478	2	44	44	NUM
eurjchem-1920	478	3	]	]	PUNCT
eurjchem-1920	478	4	.	.	PUNCT
eurjchem-1920	479	1	arslan	arslan	PROPN
eurjchem-1920	479	2	,	,	PUNCT
eurjchem-1920	479	3	b.	b.	PROPN
eurjchem-1920	479	4	,	,	PUNCT
eurjchem-1920	479	5	msc	msc	PROPN
eurjchem-1920	479	6	thesis	thesis	PROPN
eurjchem-1920	479	7	,	,	PUNCT
eurjchem-1920	479	8	mersin	mersin	PROPN
eurjchem-1920	479	9	university	university	PROPN
eurjchem-1920	479	10	,	,	PUNCT
eurjchem-1920	479	11	mersin	mersin	PROPN
eurjchem-1920	479	12	,	,	PUNCT
eurjchem-1920	479	13	turkey	turkey	PROPN
eurjchem-1920	479	14	,	,	PUNCT
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eurjchem-1920	479	16	.	.	PUNCT
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eurjchem-1920	480	3	]	]	PUNCT
eurjchem-1920	480	4	.	.	PUNCT
eurjchem-1920	481	1	aslantatar	aslantatar	PROPN
eurjchem-1920	481	2	,	,	PUNCT
eurjchem-1920	481	3	e.	e.	PROPN
eurjchem-1920	481	4	,	,	PUNCT
eurjchem-1920	481	5	msc	msc	PROPN
eurjchem-1920	481	6	thesis	thesis	PROPN
eurjchem-1920	481	7	,	,	PUNCT
eurjchem-1920	481	8	mersin	mersin	PROPN
eurjchem-1920	481	9	university	university	PROPN
eurjchem-1920	481	10	,	,	PUNCT
eurjchem-1920	481	11	mersin	mersin	PROPN
eurjchem-1920	481	12	,	,	PUNCT
eurjchem-1920	481	13	turkey	turkey	PROPN
eurjchem-1920	481	14	,	,	PUNCT
eurjchem-1920	481	15	2013	2013	NUM
eurjchem-1920	481	16	.	.	PUNCT
eurjchem-1920	482	1	[	[	X
eurjchem-1920	482	2	46	46	NUM
eurjchem-1920	482	3	]	]	PUNCT
eurjchem-1920	482	4	.	.	PUNCT
eurjchem-1920	483	1	spackman	spackman	PROPN
eurjchem-1920	483	2	,	,	PUNCT
eurjchem-1920	483	3	m.	m.	NOUN
eurjchem-1920	483	4	;	;	PUNCT
eurjchem-1920	483	5	jayatilaka	jayatilaka	PROPN
eurjchem-1920	483	6	,	,	PUNCT
eurjchem-1920	483	7	d.	d.	PROPN
eurjchem-1920	483	8	crystengcomm	crystengcomm	PROPN
eurjchem-1920	483	9	.	.	PUNCT
eurjchem-1920	484	1	2009	2009	NUM
eurjchem-1920	484	2	,	,	PUNCT
eurjchem-1920	484	3	11	11	NUM
eurjchem-1920	484	4	,	,	PUNCT
eurjchem-1920	484	5	19	19	NUM
eurjchem-1920	484	6	-	-	SYM
eurjchem-1920	484	7	32	32	NUM
eurjchem-1920	484	8	.	.	PUNCT
eurjchem-1920	485	1	[	[	X
eurjchem-1920	485	2	47	47	NUM
eurjchem-1920	485	3	]	]	PUNCT
eurjchem-1920	485	4	.	.	PUNCT
eurjchem-1920	486	1	mckinnon	mckinnon	PROPN
eurjchem-1920	486	2	,	,	PUNCT
eurjchem-1920	486	3	j.	j.	PROPN
eurjchem-1920	486	4	j.	j.	PROPN
eurjchem-1920	486	5	;	;	PUNCT
eurjchem-1920	486	6	jayatilaka	jayatilaka	PROPN
eurjchem-1920	486	7	,	,	PUNCT
eurjchem-1920	486	8	d.	d.	PROPN
eurjchem-1920	486	9	;	;	PUNCT
eurjchem-1920	486	10	spackman	spackman	NOUN
eurjchem-1920	486	11	,	,	PUNCT
eurjchem-1920	486	12	m.	m.	NOUN
eurjchem-1920	486	13	a.	a.	NOUN
eurjchem-1920	486	14	chem	chem	PROPN
eurjchem-1920	486	15	.	.	PUNCT
eurjchem-1920	487	1	commun	commun	PROPN
eurjchem-1920	487	2	.	.	PUNCT
eurjchem-1920	488	1	2007	2007	NUM
eurjchem-1920	488	2	,	,	PUNCT
eurjchem-1920	488	3	267	267	NUM
eurjchem-1920	488	4	,	,	PUNCT
eurjchem-1920	488	5	3814	3814	NUM
eurjchem-1920	488	6	-	-	SYM
eurjchem-1920	488	7	3816	3816	NUM
eurjchem-1920	488	8	;	;	PUNCT
eurjchem-1920	488	9	[	[	X
eurjchem-1920	488	10	48	48	NUM
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eurjchem-1920	488	12	.	.	PUNCT
eurjchem-1920	489	1	mckinnon	mckinnon	PROPN
eurjchem-1920	489	2	,	,	PUNCT
eurjchem-1920	489	3	j.	j.	PROPN
eurjchem-1920	489	4	j.	j.	PROPN
eurjchem-1920	489	5	;	;	PUNCT
eurjchem-1920	489	6	mitchell	mitchell	PROPN
eurjchem-1920	489	7	,	,	PUNCT
eurjchem-1920	489	8	a.	a.	PROPN
eurjchem-1920	489	9	s.	s.	PROPN
eurjchem-1920	489	10	;	;	PUNCT
eurjchem-1920	489	11	spackman	spackman	NOUN
eurjchem-1920	489	12	,	,	PUNCT
eurjchem-1920	489	13	m.	m.	NOUN
eurjchem-1920	489	14	a.	a.	NOUN
eurjchem-1920	489	15	chem	chem	PROPN
eurjchem-1920	489	16	.	.	PUNCT
eurjchem-1920	490	1	a	a	DET
eurjchem-1920	490	2	eur	eur	NOUN
eurjchem-1920	490	3	.	.	PUNCT
eurjchem-1920	491	1	j.	j.	PROPN
eurjchem-1920	491	2	1998	1998	NUM
eurjchem-1920	491	3	,	,	PUNCT
eurjchem-1920	491	4	4	4	NUM
eurjchem-1920	491	5	,	,	PUNCT
eurjchem-1920	491	6	2136	2136	NUM
eurjchem-1920	491	7	-	-	SYM
eurjchem-1920	491	8	214	214	NUM
eurjchem-1920	491	9	.	.	PUNCT
eurjchem-1920	492	1	copyright	copyright	NOUN
eurjchem-1920	492	2	©	©	PROPN
eurjchem-1920	492	3	2019	2019	NUM
eurjchem-1920	492	4	by	by	ADP
eurjchem-1920	492	5	authors	author	NOUN
eurjchem-1920	492	6	.	.	PUNCT
eurjchem-1920	493	1	this	this	DET
eurjchem-1920	493	2	work	work	NOUN
eurjchem-1920	493	3	is	be	AUX
eurjchem-1920	493	4	published	publish	VERB
eurjchem-1920	493	5	and	and	CCONJ
eurjchem-1920	493	6	licensed	license	VERB
eurjchem-1920	493	7	by	by	ADP
eurjchem-1920	493	8	atlanta	atlanta	PROPN
eurjchem-1920	493	9	publishing	publishing	PROPN
eurjchem-1920	493	10	house	house	PROPN
eurjchem-1920	493	11	llc	llc	PROPN
eurjchem-1920	493	12	,	,	PUNCT
eurjchem-1920	493	13	atlanta	atlanta	PROPN
eurjchem-1920	493	14	,	,	PUNCT
eurjchem-1920	493	15	ga	ga	PROPN
eurjchem-1920	493	16	,	,	PUNCT
eurjchem-1920	493	17	usa	usa	PROPN
eurjchem-1920	493	18	.	.	PUNCT
eurjchem-1920	494	1	the	the	DET
eurjchem-1920	494	2	full	full	ADJ
eurjchem-1920	494	3	terms	term	NOUN
eurjchem-1920	494	4	of	of	ADP
eurjchem-1920	494	5	this	this	DET
eurjchem-1920	494	6	license	license	NOUN
eurjchem-1920	494	7	are	be	AUX
eurjchem-1920	494	8	available	available	ADJ
eurjchem-1920	494	9	at	at	ADP
eurjchem-1920	494	10	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-1920	494	11	and	and	CCONJ
eurjchem-1920	494	12	incorporate	incorporate	VERB
eurjchem-1920	494	13	the	the	DET
eurjchem-1920	494	14	creative	creative	ADJ
eurjchem-1920	494	15	commons	common	NOUN
eurjchem-1920	494	16	attribution	attribution	NOUN
eurjchem-1920	494	17	-	-	PUNCT
eurjchem-1920	494	18	non	non	ADJ
eurjchem-1920	494	19	commercial	commercial	NOUN
eurjchem-1920	494	20	(	(	PUNCT
eurjchem-1920	494	21	cc	cc	NOUN
eurjchem-1920	494	22	by	by	ADP
eurjchem-1920	494	23	nc	nc	PROPN
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eurjchem-1920	494	25	(	(	PUNCT
eurjchem-1920	494	26	international	international	ADJ
eurjchem-1920	494	27	,	,	PUNCT
eurjchem-1920	494	28	v4.0	v4.0	NOUN
eurjchem-1920	494	29	)	)	PUNCT
eurjchem-1920	494	30	license	license	NOUN
eurjchem-1920	494	31	(	(	PUNCT
eurjchem-1920	494	32	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	NOUN
eurjchem-1920	494	33	)	)	PUNCT
eurjchem-1920	494	34	.	.	PUNCT
eurjchem-1920	495	1	by	by	ADP
eurjchem-1920	495	2	accessing	access	VERB
eurjchem-1920	495	3	the	the	DET
eurjchem-1920	495	4	work	work	NOUN
eurjchem-1920	495	5	,	,	PUNCT
eurjchem-1920	495	6	you	you	PRON
eurjchem-1920	495	7	hereby	hereby	ADV
eurjchem-1920	495	8	accept	accept	VERB
eurjchem-1920	495	9	the	the	DET
eurjchem-1920	495	10	terms	term	NOUN
eurjchem-1920	495	11	.	.	PUNCT
eurjchem-1920	496	1	this	this	PRON
eurjchem-1920	496	2	is	be	AUX
eurjchem-1920	496	3	an	an	DET
eurjchem-1920	496	4	open	open	ADJ
eurjchem-1920	496	5	access	access	NOUN
eurjchem-1920	496	6	article	article	NOUN
eurjchem-1920	496	7	distributed	distribute	VERB
eurjchem-1920	496	8	under	under	ADP
eurjchem-1920	496	9	the	the	DET
eurjchem-1920	496	10	terms	term	NOUN
eurjchem-1920	496	11	and	and	CCONJ
eurjchem-1920	496	12	conditions	condition	NOUN
eurjchem-1920	496	13	of	of	ADP
eurjchem-1920	496	14	the	the	DET
eurjchem-1920	496	15	cc	cc	PROPN
eurjchem-1920	496	16	by	by	ADP
eurjchem-1920	496	17	nc	nc	PROPN
eurjchem-1920	496	18	license	license	PROPN
eurjchem-1920	496	19	,	,	PUNCT
eurjchem-1920	496	20	which	which	PRON
eurjchem-1920	496	21	permits	permit	VERB
eurjchem-1920	496	22	unrestricted	unrestricted	ADJ
eurjchem-1920	496	23	non	non	ADJ
eurjchem-1920	496	24	-	-	ADJ
eurjchem-1920	496	25	commercial	commercial	ADJ
eurjchem-1920	496	26	use	use	NOUN
eurjchem-1920	496	27	,	,	PUNCT
eurjchem-1920	496	28	distribution	distribution	NOUN
eurjchem-1920	496	29	,	,	PUNCT
eurjchem-1920	496	30	and	and	CCONJ
eurjchem-1920	496	31	reproduction	reproduction	NOUN
eurjchem-1920	496	32	in	in	ADP
eurjchem-1920	496	33	any	any	DET
eurjchem-1920	496	34	medium	medium	NOUN
eurjchem-1920	496	35	,	,	PUNCT
eurjchem-1920	496	36	provided	provide	VERB
eurjchem-1920	496	37	the	the	DET
eurjchem-1920	496	38	original	original	ADJ
eurjchem-1920	496	39	work	work	NOUN
eurjchem-1920	496	40	is	be	AUX
eurjchem-1920	496	41	properly	properly	ADV
eurjchem-1920	496	42	cited	cite	VERB
eurjchem-1920	496	43	without	without	ADP
eurjchem-1920	496	44	any	any	DET
eurjchem-1920	496	45	further	further	ADJ
eurjchem-1920	496	46	permission	permission	NOUN
eurjchem-1920	496	47	from	from	ADP
eurjchem-1920	496	48	atlanta	atlanta	PROPN
eurjchem-1920	496	49	publishing	publishing	PROPN
eurjchem-1920	496	50	house	house	PROPN
eurjchem-1920	496	51	llc	llc	PROPN
eurjchem-1920	496	52	(	(	PUNCT
eurjchem-1920	496	53	european	european	PROPN
eurjchem-1920	496	54	journal	journal	PROPN
eurjchem-1920	496	55	of	of	ADP
eurjchem-1920	496	56	chemistry	chemistry	NOUN
eurjchem-1920	496	57	)	)	PUNCT
eurjchem-1920	496	58	.	.	PUNCT
eurjchem-1920	497	1	no	no	DET
eurjchem-1920	497	2	use	use	NOUN
eurjchem-1920	497	3	,	,	PUNCT
eurjchem-1920	497	4	distribution	distribution	NOUN
eurjchem-1920	497	5	or	or	CCONJ
eurjchem-1920	497	6	reproduction	reproduction	NOUN
eurjchem-1920	497	7	is	be	AUX
eurjchem-1920	497	8	permitted	permit	VERB
eurjchem-1920	497	9	which	which	PRON
eurjchem-1920	497	10	does	do	AUX
eurjchem-1920	497	11	not	not	PART
eurjchem-1920	497	12	comply	comply	VERB
eurjchem-1920	497	13	with	with	ADP
eurjchem-1920	497	14	these	these	DET
eurjchem-1920	497	15	terms	term	NOUN
eurjchem-1920	497	16	.	.	PUNCT
eurjchem-1920	498	1	permissions	permission	NOUN
eurjchem-1920	498	2	for	for	ADP
eurjchem-1920	498	3	commercial	commercial	ADJ
eurjchem-1920	498	4	use	use	NOUN
eurjchem-1920	498	5	of	of	ADP
eurjchem-1920	498	6	this	this	DET
eurjchem-1920	498	7	work	work	NOUN
eurjchem-1920	498	8	beyond	beyond	ADP
eurjchem-1920	498	9	the	the	DET
eurjchem-1920	498	10	scope	scope	NOUN
eurjchem-1920	498	11	of	of	ADP
eurjchem-1920	498	12	the	the	DET
eurjchem-1920	498	13	license	license	NOUN
eurjchem-1920	498	14	(	(	PUNCT
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eurjchem-1920	498	16	)	)	PUNCT
eurjchem-1920	498	17	are	be	AUX
eurjchem-1920	498	18	administered	administer	VERB
eurjchem-1920	498	19	by	by	ADP
eurjchem-1920	498	20	atlanta	atlanta	PROPN
eurjchem-1920	498	21	publishing	publishing	PROPN
eurjchem-1920	498	22	house	house	PROPN
eurjchem-1920	498	23	llc	llc	PROPN
eurjchem-1920	498	24	(	(	PUNCT
eurjchem-1920	498	25	european	european	PROPN
eurjchem-1920	498	26	journal	journal	PROPN
eurjchem-1920	498	27	of	of	ADP
eurjchem-1920	498	28	chemistry	chemistry	NOUN
eurjchem-1920	498	29	)	)	PUNCT
eurjchem-1920	498	30	.	.	PUNCT
eurjchem-1920	499	1	2019	2019	NUM
eurjchem-1920	499	2	–	–	PUNCT
eurjchem-1920	499	3	european	european	ADJ
eurjchem-1920	499	4	journal	journal	NOUN
eurjchem-1920	499	5	of	of	ADP
eurjchem-1920	499	6	chemistry	chemistry	NOUN
eurjchem-1920	499	7	–	–	PUNCT
eurjchem-1920	499	8	cc	cc	NOUN
eurjchem-1920	499	9	by	by	ADP
eurjchem-1920	499	10	nc	nc	PROPN
eurjchem-1920	499	11	–	–	PUNCT
eurjchem-1920	499	12	doi	doi	NOUN
eurjchem-1920	499	13	:	:	PUNCT
eurjchem-1920	499	14	10.5155	10.5155	NUM
eurjchem-1920	499	15	/	/	SYM
eurjchem-1920	499	16	eurjchem.10.4.323	eurjchem.10.4.323	NUM
eurjchem-1920	499	17	-	-	SYM
eurjchem-1920	499	18	335.1920	335.1920	NUM
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eurjchem-1920	499	23	http://orcid.org/0000-0002-9398-0057	http://orcid.org/0000-0002-9398-0057	NOUN
eurjchem-1920	499	24	http://orcid.org/0000-0003-0046-9442	http://orcid.org/0000-0003-0046-9442	ADV
eurjchem-1920	499	25	http://hirshfeldsurface.net/	http://hirshfeldsurface.net/	ADP
eurjchem-1920	499	26	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-1920	499	27	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-1920	499	28	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-1920	499	29	1	1	NUM
eurjchem-1920	499	30	.	.	PUNCT
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eurjchem-1920	499	32	2	2	NUM
eurjchem-1920	499	33	.	.	PUNCT
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eurjchem-1920	499	36	.	.	PUNCT
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eurjchem-1920	500	2	2.2	2.2	NUM
eurjchem-1920	500	3	.	.	PUNCT
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eurjchem-1920	502	2	details	detail	NOUN
eurjchem-1920	502	3	2.4	2.4	NUM
eurjchem-1920	502	4	.	.	PUNCT
eurjchem-1920	503	1	hirshfeld	hirshfeld	PROPN
eurjchem-1920	503	2	surfaces	surface	VERB
eurjchem-1920	503	3	analysis	analysis	NOUN
eurjchem-1920	503	4	3	3	NUM
eurjchem-1920	503	5	.	.	NOUN
eurjchem-1920	503	6	results	result	NOUN
eurjchem-1920	503	7	and	and	CCONJ
eurjchem-1920	503	8	discussion	discussion	NOUN
eurjchem-1920	503	9	3.1	3.1	NUM
eurjchem-1920	503	10	.	.	PUNCT
eurjchem-1920	504	1	molecular	molecular	ADJ
eurjchem-1920	504	2	geometry	geometry	NOUN
eurjchem-1920	504	3	3.2	3.2	NUM
eurjchem-1920	504	4	.	.	PUNCT
eurjchem-1920	505	1	vibrational	vibrational	ADJ
eurjchem-1920	505	2	assignments	assignment	NOUN
eurjchem-1920	505	3	3.3	3.3	NUM
eurjchem-1920	505	4	.	.	PUNCT
eurjchem-1920	506	1	thermodynamic	thermodynamic	ADJ
eurjchem-1920	506	2	parameters	parameter	NOUN
eurjchem-1920	506	3	and	and	CCONJ
eurjchem-1920	506	4	molecular	molecular	ADJ
eurjchem-1920	506	5	properties	property	NOUN
eurjchem-1920	506	6	3.4	3.4	NUM
eurjchem-1920	506	7	.	.	PUNCT
eurjchem-1920	507	1	hirshfeld	hirshfeld	PROPN
eurjchem-1920	507	2	surfaces	surface	VERB
eurjchem-1920	507	3	analysis	analysis	NOUN
eurjchem-1920	507	4	4	4	NUM
eurjchem-1920	507	5	.	.	PUNCT
eurjchem-1920	508	1	conclusion	conclusion	NOUN
eurjchem-1920	508	2	acknowledgements	acknowledgement	NOUN
eurjchem-1920	508	3	supporting	support	VERB
eurjchem-1920	508	4	information	information	NOUN
eurjchem-1920	508	5	disclosure	disclosure	NOUN
eurjchem-1920	508	6	statement	statement	NOUN
eurjchem-1920	508	7	funding	fund	VERB
eurjchem-1920	508	8	orcid	orcid	PROPN
eurjchem-1920	508	9	printfield10	printfield10	PROPN
eurjchem-1920	508	10	:	:	PUNCT
eurjchem-1920	508	11	printfield11	printfield11	NOUN
eurjchem-1920	508	12	:	:	PUNCT
eurjchem-1920	508	13	printfield12	printfield12	PROPN
eurjchem-1920	508	14	:	:	PUNCT
eurjchem-1920	508	15	printfield13	printfield13	VERB
eurjchem-1920	508	16	:	:	PUNCT
eurjchem-1920	508	17	printfield14	printfield14	NOUN
eurjchem-1920	508	18	:	:	PUNCT
eurjchem-1920	508	19	printfield15	printfield15	NOUN
eurjchem-1920	508	20	:	:	PUNCT
eurjchem-1920	508	21	printfield16	printfield16	ADJ
eurjchem-1920	508	22	:	:	PUNCT
eurjchem-1920	508	23	printfield17	printfield17	NOUN
eurjchem-1920	508	24	:	:	PUNCT
eurjchem-1920	508	25	printfield18	printfield18	NOUN
eurjchem-1920	508	26	:	:	PUNCT
eurjchem-1920	508	27	printfield19	printfield19	NOUN
eurjchem-1920	508	28	:	:	PUNCT
eurjchem-1920	508	29	printfield110	printfield110	PROPN
eurjchem-1920	508	30	:	:	PUNCT
eurjchem-1920	508	31	printfield111	printfield111	PROPN
eurjchem-1920	508	32	:	:	PUNCT
eurjchem-1920	508	33	printfield112	printfield112	PROPN
eurjchem-1920	508	34	:	:	PUNCT
eurjchem-1920	508	35	printfield20	printfield20	PROPN
eurjchem-1920	508	36	:	:	PUNCT
eurjchem-1920	508	37	printfield21	printfield21	ADJ
eurjchem-1920	508	38	:	:	PUNCT
eurjchem-1920	508	39	printfield22	printfield22	NOUN
eurjchem-1920	508	40	:	:	PUNCT
eurjchem-1920	508	41	printfield23	printfield23	NOUN
eurjchem-1920	508	42	:	:	PUNCT
eurjchem-1920	508	43	printfield24	printfield24	NOUN
eurjchem-1920	508	44	:	:	PUNCT
eurjchem-1920	508	45	printfield25	printfield25	NOUN
eurjchem-1920	508	46	:	:	PUNCT
eurjchem-1920	508	47	printfield26	printfield26	ADJ
eurjchem-1920	508	48	:	:	PUNCT
eurjchem-1920	508	49	printfield27	printfield27	NOUN
eurjchem-1920	508	50	:	:	PUNCT
eurjchem-1920	508	51	printfield28	printfield28	NOUN
eurjchem-1920	508	52	:	:	PUNCT
eurjchem-1920	508	53	printfield29	printfield29	ADV
eurjchem-1920	508	54	:	:	PUNCT
eurjchem-1920	509	1	printfield210	printfield210	PROPN
eurjchem-1920	509	2	:	:	PUNCT
eurjchem-1920	509	3	printfield211	printfield211	PROPN
eurjchem-1920	509	4	:	:	PUNCT
eurjchem-1920	509	5	printfield212	printfield212	PROPN
eurjchem-1920	509	6	:	:	PUNCT