id	sid	tid	token	lemma	pos
ecletica-408	1	1	introduction	introduction	NOUN
ecletica-408	1	2	carbamates	carbamate	NOUN
ecletica-408	1	3	are	be	AUX
ecletica-408	1	4	an	an	DET
ecletica-408	1	5	important	important	ADJ
ecletica-408	1	6	class	class	NOUN
ecletica-408	1	7	of	of	ADP
ecletica-408	1	8	biologically	biologically	ADV
ecletica-408	1	9	active	active	ADJ
ecletica-408	1	10	compounds	compound	NOUN
ecletica-408	1	11	used	use	VERB
ecletica-408	1	12	in	in	ADP
ecletica-408	1	13	the	the	DET
ecletica-408	1	14	treatment	treatment	NOUN
ecletica-408	1	15	of	of	ADP
ecletica-408	1	16	several	several	ADJ
ecletica-408	1	17	diseases	disease	NOUN
ecletica-408	1	18	,	,	PUNCT
ecletica-408	1	19	such	such	ADJ
ecletica-408	1	20	as	as	ADP
ecletica-408	1	21	myasthenia	myasthenia	NOUN
ecletica-408	1	22	gravis	gravis	NOUN
ecletica-408	1	23	[	[	X
ecletica-408	1	24	1	1	NUM
ecletica-408	1	25	]	]	PUNCT
ecletica-408	1	26	or	or	CCONJ
ecletica-408	1	27	alzheimer	alzheimer	NOUN
ecletica-408	1	28	[	[	X
ecletica-408	1	29	2	2	NUM
ecletica-408	1	30	]	]	PUNCT
ecletica-408	1	31	.	.	PUNCT
ecletica-408	2	1	in	in	ADP
ecletica-408	2	2	view	view	NOUN
ecletica-408	2	3	of	of	ADP
ecletica-408	2	4	this	this	PRON
ecletica-408	2	5	,	,	PUNCT
ecletica-408	2	6	many	many	ADJ
ecletica-408	2	7	researches	research	NOUN
ecletica-408	2	8	have	have	AUX
ecletica-408	2	9	focused	focus	VERB
ecletica-408	2	10	on	on	ADP
ecletica-408	2	11	correlating	correlate	VERB
ecletica-408	2	12	molecular	molecular	ADJ
ecletica-408	2	13	structure	structure	NOUN
ecletica-408	2	14	of	of	ADP
ecletica-408	2	15	carbamate	carbamate	NOUN
ecletica-408	2	16	to	to	ADP
ecletica-408	2	17	their	their	PRON
ecletica-408	2	18	pharmacological	pharmacological	ADJ
ecletica-408	2	19	activity	activity	NOUN
ecletica-408	2	20	[	[	X
ecletica-408	2	21	3–8	3–8	NUM
ecletica-408	2	22	]	]	PUNCT
ecletica-408	2	23	.	.	PUNCT
ecletica-408	3	1	earlier	early	ADJ
ecletica-408	3	2	investigations	investigation	NOUN
ecletica-408	3	3	on	on	ADP
ecletica-408	3	4	structure	structure	NOUN
ecletica-408	3	5	–	–	PUNCT
ecletica-408	3	6	activity	activity	NOUN
ecletica-408	3	7	relationship	relationship	NOUN
ecletica-408	3	8	by	by	ADP
ecletica-408	3	9	beers	beer	NOUN
ecletica-408	3	10	and	and	CCONJ
ecletica-408	3	11	reich	reich	PROPN
ecletica-408	3	12	suggested	suggest	VERB
ecletica-408	3	13	that	that	SCONJ
ecletica-408	3	14	the	the	DET
ecletica-408	3	15	distances	distance	NOUN
ecletica-408	3	16	between	between	ADP
ecletica-408	3	17	functional	functional	ADJ
ecletica-408	3	18	groups	group	NOUN
ecletica-408	3	19	are	be	AUX
ecletica-408	3	20	the	the	DET
ecletica-408	3	21	main	main	ADJ
ecletica-408	3	22	feature	feature	NOUN
ecletica-408	3	23	responsible	responsible	ADJ
ecletica-408	3	24	by	by	ADP
ecletica-408	3	25	the	the	DET
ecletica-408	3	26	pharmacological	pharmacological	ADJ
ecletica-408	3	27	usefulness	usefulness	NOUN
ecletica-408	3	28	[	[	X
ecletica-408	3	29	3	3	NUM
ecletica-408	3	30	]	]	PUNCT
ecletica-408	3	31	.	.	PUNCT
ecletica-408	4	1	nevertheless	nevertheless	ADV
ecletica-408	4	2	,	,	PUNCT
ecletica-408	4	3	furukawa	furukawa	PROPN
ecletica-408	4	4	et	et	PROPN
ecletica-408	4	5	al	al	PROPN
ecletica-408	4	6	.	.	PROPN
ecletica-408	4	7	demonstrated	demonstrate	VERB
ecletica-408	4	8	that	that	SCONJ
ecletica-408	4	9	molecular	molecular	ADJ
ecletica-408	4	10	flexibility	flexibility	NOUN
ecletica-408	4	11	also	also	ADV
ecletica-408	4	12	plays	play	VERB
ecletica-408	4	13	an	an	DET
ecletica-408	4	14	important	important	ADJ
ecletica-408	4	15	role	role	NOUN
ecletica-408	4	16	[	[	X
ecletica-408	4	17	5	5	NUM
ecletica-408	4	18	]	]	PUNCT
ecletica-408	4	19	.	.	PUNCT
ecletica-408	5	1	they	they	PRON
ecletica-408	5	2	found	find	VERB
ecletica-408	5	3	that	that	SCONJ
ecletica-408	5	4	(	(	PUNCT
ecletica-408	5	5	s)-methacholine	s)-methacholine	PUNCT
ecletica-408	5	6	and	and	CCONJ
ecletica-408	5	7	(	(	PUNCT
ecletica-408	5	8	2s,4r,5s)muscarine	2s,4r,5s)muscarine	NUM
ecletica-408	5	9	change	change	VERB
ecletica-408	5	10	their	their	PRON
ecletica-408	5	11	conformation	conformation	NOUN
ecletica-408	5	12	upon	upon	SCONJ
ecletica-408	5	13	binding	bind	VERB
ecletica-408	5	14	to	to	ADP
ecletica-408	5	15	an	an	DET
ecletica-408	5	16	acetylcholine	acetylcholine	NOUN
ecletica-408	5	17	receptor	receptor	NOUN
ecletica-408	5	18	.	.	PUNCT
ecletica-408	6	1	much	much	ADJ
ecletica-408	6	2	of	of	ADP
ecletica-408	6	3	this	this	DET
ecletica-408	6	4	flexibility	flexibility	NOUN
ecletica-408	6	5	is	be	AUX
ecletica-408	6	6	dictated	dictate	VERB
ecletica-408	6	7	by	by	ADP
ecletica-408	6	8	a	a	DET
ecletica-408	6	9	hindered	hindered	ADJ
ecletica-408	6	10	rotation	rotation	NOUN
ecletica-408	6	11	around	around	ADP
ecletica-408	6	12	chemical	chemical	NOUN
ecletica-408	6	13	bonds	bond	NOUN
ecletica-408	6	14	,	,	PUNCT
ecletica-408	6	15	as	as	SCONJ
ecletica-408	6	16	is	be	AUX
ecletica-408	6	17	the	the	DET
ecletica-408	6	18	case	case	NOUN
ecletica-408	6	19	of	of	ADP
ecletica-408	6	20	conjugated	conjugated	ADJ
ecletica-408	6	21	c	c	PROPN
ecletica-408	6	22	–	–	PUNCT
ecletica-408	6	23	n	n	DET
ecletica-408	6	24	linkages	linkage	NOUN
ecletica-408	6	25	[	[	X
ecletica-408	6	26	9–13	9–13	NOUN
ecletica-408	6	27	]	]	PUNCT
ecletica-408	6	28	.	.	PUNCT
ecletica-408	7	1	thus	thus	ADV
ecletica-408	7	2	,	,	PUNCT
ecletica-408	7	3	recently	recently	ADV
ecletica-408	7	4	carbamates	carbamate	NOUN
ecletica-408	7	5	attracted	attract	VERB
ecletica-408	7	6	much	much	ADJ
ecletica-408	7	7	attention	attention	NOUN
ecletica-408	7	8	with	with	ADP
ecletica-408	7	9	respect	respect	NOUN
ecletica-408	7	10	to	to	ADP
ecletica-408	7	11	their	their	PRON
ecletica-408	7	12	molecular	molecular	ADJ
ecletica-408	7	13	structure	structure	NOUN
ecletica-408	7	14	[	[	X
ecletica-408	7	15	14–19	14–19	NUM
ecletica-408	7	16	]	]	PUNCT
ecletica-408	7	17	.	.	PUNCT
ecletica-408	8	1	several	several	ADJ
ecletica-408	8	2	studies	study	NOUN
ecletica-408	8	3	on	on	ADP
ecletica-408	8	4	the	the	DET
ecletica-408	8	5	c	c	PROPN
ecletica-408	8	6	–	–	PUNCT
ecletica-408	8	7	n	n	CCONJ
ecletica-408	8	8	rotational	rotational	ADJ
ecletica-408	8	9	barrier	barrier	NOUN
ecletica-408	8	10	in	in	ADP
ecletica-408	8	11	carbamates	carbamate	NOUN
ecletica-408	8	12	have	have	AUX
ecletica-408	8	13	also	also	ADV
ecletica-408	8	14	been	be	AUX
ecletica-408	8	15	reported	report	VERB
ecletica-408	8	16	[	[	X
ecletica-408	8	17	1517	1517	NUM
ecletica-408	8	18	]	]	PUNCT
ecletica-408	8	19	.	.	PUNCT
ecletica-408	9	1	in	in	ADP
ecletica-408	9	2	particular	particular	ADJ
ecletica-408	9	3	the	the	DET
ecletica-408	9	4	rotational	rotational	ADJ
ecletica-408	9	5	barrier	barrier	NOUN
ecletica-408	9	6	of	of	ADP
ecletica-408	9	7	the	the	DET
ecletica-408	9	8	conjugated	conjugated	ADJ
ecletica-408	9	9	c	c	NOUN
ecletica-408	9	10	-	-	PUNCT
ecletica-408	9	11	n	n	PRON
ecletica-408	9	12	bond	bond	NOUN
ecletica-408	9	13	in	in	ADP
ecletica-408	9	14	2	2	NUM
ecletica-408	9	15	-	-	PUNCT
ecletica-408	9	16	n	n	CCONJ
ecletica-408	9	17	,	,	PUNCT
ecletica-408	9	18	n	n	CCONJ
ecletica-408	9	19	-	-	PUNCT
ecletica-408	9	20	dimethylaminecyclohexyl	dimethylaminecyclohexyl	NOUN
ecletica-408	9	21	1	1	NUM
ecletica-408	9	22	-	-	PUNCT
ecletica-408	9	23	n’,ní	n’,ní	ADJ
ecletica-408	9	24	-	-	NOUN
ecletica-408	9	25	dimethylcarbamate	dimethylcarbamate	NOUN
ecletica-408	9	26	has	have	AUX
ecletica-408	9	27	been	be	AUX
ecletica-408	9	28	studied	study	VERB
ecletica-408	9	29	for	for	ADP
ecletica-408	9	30	two	two	NUM
ecletica-408	9	31	isomers	isomer	NOUN
ecletica-408	9	32	.	.	PUNCT
ecletica-408	10	1	in	in	ADP
ecletica-408	10	2	isomer	isomer	PROPN
ecletica-408	10	3	1	1	NUM
ecletica-408	10	4	the	the	DET
ecletica-408	10	5	carbamate	carbamate	PROPN
ecletica-408	10	6	group	group	NOUN
ecletica-408	10	7	lies	lie	VERB
ecletica-408	10	8	at	at	ADP
ecletica-408	10	9	the	the	DET
ecletica-408	10	10	axial	axial	ADJ
ecletica-408	10	11	position	position	NOUN
ecletica-408	10	12	,	,	PUNCT
ecletica-408	10	13	whereas	whereas	SCONJ
ecletica-408	10	14	in	in	ADP
ecletica-408	10	15	isomer	isomer	PROPN
ecletica-408	10	16	2	2	NUM
ecletica-408	10	17	it	it	PRON
ecletica-408	10	18	adopts	adopt	VERB
ecletica-408	10	19	an	an	DET
ecletica-408	10	20	equatorial	equatorial	ADJ
ecletica-408	10	21	arrangement	arrangement	NOUN
ecletica-408	10	22	[	[	X
ecletica-408	10	23	20	20	NUM
ecletica-408	10	24	]	]	PUNCT
ecletica-408	10	25	.	.	PUNCT
ecletica-408	11	1	it	it	PRON
ecletica-408	11	2	is	be	AUX
ecletica-408	11	3	,	,	PUNCT
ecletica-408	11	4	however	however	ADV
ecletica-408	11	5	,	,	PUNCT
ecletica-408	11	6	interesting	interesting	ADJ
ecletica-408	11	7	to	to	PART
ecletica-408	11	8	notice	notice	VERB
ecletica-408	11	9	that	that	SCONJ
ecletica-408	11	10	from	from	ADP
ecletica-408	11	11	the	the	DET
ecletica-408	11	12	theoretical	theoretical	ADJ
ecletica-408	11	13	point	point	NOUN
ecletica-408	11	14	of	of	ADP
ecletica-408	11	15	view	view	NOUN
ecletica-408	11	16	there	there	PRON
ecletica-408	11	17	may	may	AUX
ecletica-408	11	18	be	be	AUX
ecletica-408	11	19	four	four	NUM
ecletica-408	11	20	different	different	ADJ
ecletica-408	11	21	isomers	isomer	NOUN
ecletica-408	11	22	of	of	ADP
ecletica-408	11	23	this	this	DET
ecletica-408	11	24	compound	compound	NOUN
ecletica-408	11	25	.	.	PUNCT
ecletica-408	12	1	two	two	NUM
ecletica-408	12	2	additional	additional	ADJ
ecletica-408	12	3	isomers	isomer	NOUN
ecletica-408	12	4	may	may	AUX
ecletica-408	12	5	be	be	AUX
ecletica-408	12	6	created	create	VERB
ecletica-408	12	7	changing	change	VERB
ecletica-408	12	8	the	the	DET
ecletica-408	12	9	relative	relative	ADJ
ecletica-408	12	10	position	position	NOUN
ecletica-408	12	11	of	of	ADP
ecletica-408	12	12	the	the	DET
ecletica-408	12	13	n	n	CCONJ
ecletica-408	12	14	-	-	PUNCT
ecletica-408	12	15	dimethyl	dimethyl	NOUN
ecletica-408	12	16	group	group	NOUN
ecletica-408	12	17	from	from	ADP
ecletica-408	12	18	equatorial	equatorial	NOUN
ecletica-408	12	19	to	to	ADP
ecletica-408	12	20	axial	axial	ADJ
ecletica-408	12	21	(	(	PUNCT
ecletica-408	12	22	isomers	isomer	NOUN
ecletica-408	12	23	3	3	NUM
ecletica-408	12	24	and	and	CCONJ
ecletica-408	12	25	4	4	NUM
ecletica-408	12	26	)	)	PUNCT
ecletica-408	13	1	[	[	X
ecletica-408	13	2	fig	fig	NOUN
ecletica-408	13	3	.	.	PUNCT
ecletica-408	14	1	1	1	NUM
ecletica-408	14	2	]	]	PUNCT
ecletica-408	14	3	.	.	PUNCT
ecletica-408	15	1	in	in	ADP
ecletica-408	15	2	this	this	DET
ecletica-408	15	3	article	article	NOUN
ecletica-408	15	4	,	,	PUNCT
ecletica-408	15	5	a	a	DET
ecletica-408	15	6	combined	combined	ADJ
ecletica-408	15	7	experimental	experimental	ADJ
ecletica-408	15	8	and	and	CCONJ
ecletica-408	15	9	density	density	NOUN
ecletica-408	15	10	functional	functional	ADJ
ecletica-408	15	11	theory	theory	NOUN
ecletica-408	15	12	study	study	NOUN
ecletica-408	15	13	on	on	ADP
ecletica-408	15	14	the	the	DET
ecletica-408	15	15	stability	stability	NOUN
ecletica-408	15	16	and	and	CCONJ
ecletica-408	15	17	ir	ir	PROPN
ecletica-408	15	18	spectra	spectra	NOUN
ecletica-408	15	19	of	of	ADP
ecletica-408	15	20	all	all	DET
ecletica-408	15	21	four	four	NUM
ecletica-408	15	22	isomers	isomer	NOUN
ecletica-408	15	23	of	of	ADP
ecletica-408	15	24	2	2	NUM
ecletica-408	15	25	-	-	PUNCT
ecletica-408	15	26	n	n	CCONJ
ecletica-408	15	27	,	,	PUNCT
ecletica-408	15	28	n53ecl	n53ecl	NOUN
ecletica-408	15	29	.	.	PUNCT
ecletica-408	15	30	quím	quím	PROPN
ecletica-408	15	31	.	.	PUNCT
ecletica-408	15	32	,	,	PUNCT
ecletica-408	15	33	são	são	PROPN
ecletica-408	15	34	paulo	paulo	PROPN
ecletica-408	15	35	,	,	PUNCT
ecletica-408	15	36	31(1	31(1	NUM
ecletica-408	15	37	):	):	PUNCT
ecletica-408	15	38	53	53	NUM
ecletica-408	15	39	-	-	SYM
ecletica-408	15	40	62	62	NUM
ecletica-408	15	41	,	,	PUNCT
ecletica-408	15	42	2006	2006	NUM
ecletica-408	15	43	www.scielo.br/eq	www.scielo.br/eq	NOUN
ecletica-408	15	44	volume	volume	NOUN
ecletica-408	15	45	31	31	NUM
ecletica-408	15	46	,	,	PUNCT
ecletica-408	15	47	número	número	NOUN
ecletica-408	15	48	1	1	NUM
ecletica-408	15	49	,	,	PUNCT
ecletica-408	15	50	2006	2006	NUM
ecletica-408	15	51	experimental	experimental	ADJ
ecletica-408	15	52	and	and	CCONJ
ecletica-408	15	53	theoretical	theoretical	ADJ
ecletica-408	15	54	investigation	investigation	NOUN
ecletica-408	15	55	of	of	ADP
ecletica-408	15	56	the	the	DET
ecletica-408	15	57	ir	ir	PROPN
ecletica-408	15	58	spectra	spectra	NOUN
ecletica-408	15	59	and	and	CCONJ
ecletica-408	15	60	thermochemistry	thermochemistry	NOUN
ecletica-408	15	61	of	of	ADP
ecletica-408	15	62	four	four	NUM
ecletica-408	15	63	isomers	isomer	NOUN
ecletica-408	15	64	of	of	ADP
ecletica-408	15	65	2	2	NUM
ecletica-408	15	66	-	-	PUNCT
ecletica-408	15	67	n	n	CCONJ
ecletica-408	15	68	,	,	PUNCT
ecletica-408	15	69	ndimethylaminecyclohexyl	ndimethylaminecyclohexyl	ADJ
ecletica-408	15	70	1	1	NUM
ecletica-408	15	71	-	-	PUNCT
ecletica-408	15	72	n’,n’-dimethylcarbamate	n’,n’-dimethylcarbamate	NUM
ecletica-408	15	73	a.	a.	NOUN
ecletica-408	15	74	f.	f.	PROPN
ecletica-408	15	75	jalbout1	jalbout1	PROPN
ecletica-408	15	76	*	*	PROPN
ecletica-408	15	77	,	,	PUNCT
ecletica-408	15	78	xin	xin	PROPN
ecletica-408	15	79	-	-	PUNCT
ecletica-408	15	80	hua	hua	PROPN
ecletica-408	15	81	li2	li2	PROPN
ecletica-408	15	82	*	*	PROPN
ecletica-408	15	83	,	,	PUNCT
ecletica-408	15	84	b.	b.	PROPN
ecletica-408	15	85	trzaskowski1	trzaskowski1	PROPN
ecletica-408	15	86	and	and	CCONJ
ecletica-408	15	87	h.	h.	PROPN
ecletica-408	15	88	raissi1	raissi1	PROPN
ecletica-408	15	89	1department	1department	NUM
ecletica-408	15	90	of	of	ADP
ecletica-408	15	91	chemistry	chemistry	NOUN
ecletica-408	15	92	,	,	PUNCT
ecletica-408	15	93	the	the	DET
ecletica-408	15	94	university	university	PROPN
ecletica-408	15	95	of	of	ADP
ecletica-408	15	96	arizona	arizona	PROPN
ecletica-408	15	97	,	,	PUNCT
ecletica-408	15	98	tucson	tucson	PROPN
ecletica-408	15	99	,	,	PUNCT
ecletica-408	15	100	arizona	arizona	PROPN
ecletica-408	15	101	,	,	PUNCT
ecletica-408	15	102	85721	85721	NUM
ecletica-408	15	103	,	,	PUNCT
ecletica-408	15	104	usa	usa	PROPN
ecletica-408	15	105	2school	2school	PROPN
ecletica-408	15	106	of	of	ADP
ecletica-408	15	107	chemistry	chemistry	NOUN
ecletica-408	15	108	and	and	CCONJ
ecletica-408	15	109	materials	material	NOUN
ecletica-408	15	110	science	science	NOUN
ecletica-408	15	111	,	,	PUNCT
ecletica-408	15	112	wenzhou	wenzhou	PROPN
ecletica-408	15	113	university	university	PROPN
ecletica-408	15	114	,	,	PUNCT
ecletica-408	15	115	zhejiang	zhejiang	PROPN
ecletica-408	15	116	wenzhou	wenzhou	PROPN
ecletica-408	15	117	325027	325027	NUM
ecletica-408	15	118	,	,	PUNCT
ecletica-408	15	119	p.r.china	p.r.china	NOUN
ecletica-408	15	120	*	*	PUNCT
ecletica-408	15	121	corresponding	correspond	VERB
ecletica-408	15	122	authors	author	NOUN
ecletica-408	15	123	.	.	PUNCT
ecletica-408	16	1	e	e	X
ecletica-408	16	2	-	-	NOUN
ecletica-408	16	3	mail	mail	NOUN
ecletica-408	16	4	addresses	address	NOUN
ecletica-408	16	5	:	:	PUNCT
ecletica-408	16	6	ajalbout@u.arizona.edu	ajalbout@u.arizona.edu	PROPN
ecletica-408	16	7	(	(	PUNCT
ecletica-408	16	8	a.f	a.f	PROPN
ecletica-408	16	9	.	.	PUNCT
ecletica-408	17	1	jalbout);lixinhua01@126.com(xin	jalbout);lixinhua01@126.com(xin	PROPN
ecletica-408	17	2	-	-	PUNCT
ecletica-408	17	3	hua	hua	PROPN
ecletica-408	17	4	li	li	PROPN
ecletica-408	17	5	)	)	PUNCT
ecletica-408	17	6	abstract	abstract	NOUN
ecletica-408	17	7	:	:	PUNCT
ecletica-408	17	8	a	a	DET
ecletica-408	17	9	combined	combined	ADJ
ecletica-408	17	10	experimental	experimental	ADJ
ecletica-408	17	11	and	and	CCONJ
ecletica-408	17	12	density	density	NOUN
ecletica-408	17	13	functional	functional	ADJ
ecletica-408	17	14	theory	theory	NOUN
ecletica-408	17	15	(	(	PUNCT
ecletica-408	17	16	dft	dft	PROPN
ecletica-408	17	17	)	)	PUNCT
ecletica-408	17	18	b3lyp/6	b3lyp/6	NOUN
ecletica-408	17	19	-	-	NOUN
ecletica-408	17	20	311+g	311+g	ADJ
ecletica-408	17	21	*	*	NOUN
ecletica-408	17	22	study	study	NOUN
ecletica-408	17	23	on	on	ADP
ecletica-408	17	24	the	the	DET
ecletica-408	17	25	ir	ir	PROPN
ecletica-408	17	26	spectra	spectra	NOUN
ecletica-408	17	27	of	of	ADP
ecletica-408	17	28	four	four	NUM
ecletica-408	17	29	stable	stable	ADJ
ecletica-408	17	30	isomers	isomer	NOUN
ecletica-408	17	31	of	of	ADP
ecletica-408	17	32	2	2	NUM
ecletica-408	17	33	-	-	PUNCT
ecletica-408	17	34	n	n	CCONJ
ecletica-408	17	35	,	,	PUNCT
ecletica-408	17	36	n	n	CCONJ
ecletica-408	17	37	-	-	PUNCT
ecletica-408	17	38	dimethylaminecyclohexyl	dimethylaminecyclohexyl	NOUN
ecletica-408	17	39	1	1	NUM
ecletica-408	17	40	-	-	PUNCT
ecletica-408	17	41	n’,n’-dimethylcarbamate	n’,n’-dimethylcarbamate	NOUN
ecletica-408	17	42	was	be	AUX
ecletica-408	17	43	performed	perform	VERB
ecletica-408	17	44	.	.	PUNCT
ecletica-408	18	1	our	our	PRON
ecletica-408	18	2	theoretical	theoretical	ADJ
ecletica-408	18	3	calculations	calculation	NOUN
ecletica-408	18	4	reveal	reveal	VERB
ecletica-408	18	5	that	that	SCONJ
ecletica-408	18	6	two	two	NUM
ecletica-408	18	7	new	new	ADJ
ecletica-408	18	8	isomers	isomer	NOUN
ecletica-408	18	9	of	of	ADP
ecletica-408	18	10	this	this	DET
ecletica-408	18	11	compound	compound	NOUN
ecletica-408	18	12	exist	exist	NOUN
ecletica-408	18	13	and	and	CCONJ
ecletica-408	18	14	may	may	AUX
ecletica-408	18	15	be	be	AUX
ecletica-408	18	16	more	more	ADV
ecletica-408	18	17	stable	stable	ADJ
ecletica-408	18	18	than	than	ADP
ecletica-408	18	19	the	the	DET
ecletica-408	18	20	known	know	VERB
ecletica-408	18	21	isomers	isomer	NOUN
ecletica-408	18	22	.	.	PUNCT
ecletica-408	19	1	in	in	ADP
ecletica-408	19	2	addition	addition	NOUN
ecletica-408	19	3	the	the	DET
ecletica-408	19	4	entropy	entropy	NOUN
ecletica-408	19	5	,	,	PUNCT
ecletica-408	19	6	heat	heat	NOUN
ecletica-408	19	7	capacity	capacity	NOUN
ecletica-408	19	8	,	,	PUNCT
ecletica-408	19	9	and	and	CCONJ
ecletica-408	19	10	the	the	DET
ecletica-408	19	11	enthalpy	enthalpy	NOUN
ecletica-408	19	12	content	content	NOUN
ecletica-408	19	13	of	of	ADP
ecletica-408	19	14	the	the	DET
ecletica-408	19	15	stable	stable	ADJ
ecletica-408	19	16	isomers	isomer	NOUN
ecletica-408	19	17	are	be	AUX
ecletica-408	19	18	computed	compute	VERB
ecletica-408	19	19	by	by	ADP
ecletica-408	19	20	fitting	fit	VERB
ecletica-408	19	21	the	the	DET
ecletica-408	19	22	calculated	calculated	ADJ
ecletica-408	19	23	data	datum	NOUN
ecletica-408	19	24	to	to	ADP
ecletica-408	19	25	a	a	DET
ecletica-408	19	26	standard	standard	ADJ
ecletica-408	19	27	shomate	shomate	ADJ
ecletica-408	19	28	equation	equation	NOUN
ecletica-408	19	29	and	and	CCONJ
ecletica-408	19	30	ir	ir	PROPN
ecletica-408	19	31	spectra	spectra	NOUN
ecletica-408	19	32	for	for	ADP
ecletica-408	19	33	the	the	DET
ecletica-408	19	34	two	two	NUM
ecletica-408	19	35	new	new	ADJ
ecletica-408	19	36	isomers	isomer	NOUN
ecletica-408	19	37	are	be	AUX
ecletica-408	19	38	presented	present	VERB
ecletica-408	19	39	.	.	PUNCT
ecletica-408	20	1	keywords	keyword	NOUN
ecletica-408	20	2	:	:	PUNCT
ecletica-408	20	3	density	density	NOUN
ecletica-408	20	4	functional	functional	ADJ
ecletica-408	20	5	theory	theory	NOUN
ecletica-408	20	6	(	(	PUNCT
ecletica-408	20	7	dft	dft	PROPN
ecletica-408	20	8	)	)	PUNCT
ecletica-408	20	9	;	;	PUNCT
ecletica-408	20	10	b3lyp	b3lyp	NUM
ecletica-408	20	11	;	;	PUNCT
ecletica-408	20	12	c11h22n2o2	c11h22n2o2	PROPN
ecletica-408	20	13	;	;	PUNCT
ecletica-408	20	14	ir	ir	PROPN
ecletica-408	20	15	spectra	spectra	PROPN
ecletica-408	20	16	;	;	PUNCT
ecletica-408	20	17	thermochemical	thermochemical	ADJ
ecletica-408	20	18	properties	property	NOUN
ecletica-408	20	19	.	.	PUNCT
ecletica-408	21	1	dimethylaminecyclohexyl	dimethylaminecyclohexyl	PROPN
ecletica-408	21	2	1	1	NUM
ecletica-408	21	3	-	-	PUNCT
ecletica-408	21	4	n’,ní	n’,ní	ADJ
ecletica-408	21	5	-	-	NOUN
ecletica-408	21	6	dimethylcarbamate	dimethylcarbamate	NOUN
ecletica-408	21	7	was	be	AUX
ecletica-408	21	8	performed	perform	VERB
ecletica-408	21	9	.	.	PUNCT
ecletica-408	22	1	in	in	ADP
ecletica-408	22	2	addition	addition	NOUN
ecletica-408	22	3	the	the	DET
ecletica-408	22	4	entropy	entropy	NOUN
ecletica-408	22	5	,	,	PUNCT
ecletica-408	22	6	heat	heat	NOUN
ecletica-408	22	7	capacity	capacity	NOUN
ecletica-408	22	8	,	,	PUNCT
ecletica-408	22	9	and	and	CCONJ
ecletica-408	22	10	the	the	DET
ecletica-408	22	11	enthalpy	enthalpy	NOUN
ecletica-408	22	12	of	of	ADP
ecletica-408	22	13	the	the	DET
ecletica-408	22	14	four	four	NUM
ecletica-408	22	15	stable	stable	ADJ
ecletica-408	22	16	isomers	isomer	NOUN
ecletica-408	22	17	are	be	AUX
ecletica-408	22	18	estimated	estimate	VERB
ecletica-408	22	19	by	by	ADP
ecletica-408	22	20	fitting	fit	VERB
ecletica-408	22	21	to	to	ADP
ecletica-408	22	22	a	a	DET
ecletica-408	22	23	standard	standard	ADJ
ecletica-408	22	24	shomate	shomate	ADJ
ecletica-408	22	25	equation	equation	NOUN
ecletica-408	22	26	.	.	PUNCT
ecletica-408	23	1	experimental	experimental	ADJ
ecletica-408	23	2	methods	method	NOUN
ecletica-408	23	3	ir	ir	PROPN
ecletica-408	23	4	measurements	measurement	VERB
ecletica-408	23	5	isomers	isomer	NOUN
ecletica-408	23	6	3	3	NUM
ecletica-408	23	7	and	and	CCONJ
ecletica-408	23	8	4	4	NUM
ecletica-408	23	9	were	be	AUX
ecletica-408	23	10	obtained	obtain	VERB
ecletica-408	23	11	according	accord	VERB
ecletica-408	23	12	the	the	DET
ecletica-408	23	13	procedure	procedure	NOUN
ecletica-408	23	14	described	describe	VERB
ecletica-408	23	15	elsewhere	elsewhere	ADV
ecletica-408	23	16	[	[	X
ecletica-408	23	17	6	6	NUM
ecletica-408	23	18	]	]	PUNCT
ecletica-408	23	19	.	.	PUNCT
ecletica-408	24	1	ir	ir	PROPN
ecletica-408	24	2	spectra	spectra	PROPN
ecletica-408	24	3	for	for	ADP
ecletica-408	24	4	those	those	DET
ecletica-408	24	5	isomers	isomer	NOUN
ecletica-408	24	6	(	(	PUNCT
ecletica-408	24	7	900	900	NUM
ecletica-408	24	8	-	-	SYM
ecletica-408	24	9	4000cm-1	4000cm-1	NUM
ecletica-408	24	10	)	)	PUNCT
ecletica-408	24	11	were	be	AUX
ecletica-408	24	12	recorded	record	VERB
ecletica-408	24	13	in	in	ADP
ecletica-408	24	14	ccl4	ccl4	PROPN
ecletica-408	24	15	solution	solution	NOUN
ecletica-408	24	16	on	on	ADP
ecletica-408	24	17	a	a	DET
ecletica-408	24	18	ftir	ftir	ADJ
ecletica-408	24	19	spectrophotometer	spectrophotometer	NOUN
ecletica-408	24	20	.	.	PUNCT
ecletica-408	25	1	computational	computational	ADJ
ecletica-408	25	2	methods	method	NOUN
ecletica-408	25	3	quantum	quantum	PROPN
ecletica-408	25	4	chemical	chemical	NOUN
ecletica-408	25	5	calculations	calculation	NOUN
ecletica-408	25	6	were	be	AUX
ecletica-408	25	7	performed	perform	VERB
ecletica-408	25	8	by	by	ADP
ecletica-408	25	9	using	use	VERB
ecletica-408	25	10	the	the	DET
ecletica-408	25	11	gaussian	gaussian	NOUN
ecletica-408	25	12	98	98	NUM
ecletica-408	26	1	[	[	SYM
ecletica-408	26	2	21	21	NUM
ecletica-408	26	3	]	]	PUNCT
ecletica-408	26	4	software	software	NOUN
ecletica-408	26	5	package	package	NOUN
ecletica-408	26	6	.	.	PUNCT
ecletica-408	27	1	full	full	ADJ
ecletica-408	27	2	geometry	geometry	NOUN
ecletica-408	27	3	optimizations	optimization	NOUN
ecletica-408	27	4	and	and	CCONJ
ecletica-408	27	5	frequency	frequency	NOUN
ecletica-408	27	6	calculations	calculation	NOUN
ecletica-408	27	7	of	of	ADP
ecletica-408	27	8	these	these	DET
ecletica-408	27	9	species	specie	NOUN
ecletica-408	27	10	were	be	AUX
ecletica-408	27	11	carried	carry	VERB
ecletica-408	27	12	out	out	ADP
ecletica-408	27	13	at	at	ADP
ecletica-408	27	14	the	the	DET
ecletica-408	27	15	b3lyp	b3lyp	NOUN
ecletica-408	27	16	level	level	NOUN
ecletica-408	27	17	of	of	ADP
ecletica-408	27	18	theory	theory	NOUN
ecletica-408	27	19	[	[	X
ecletica-408	27	20	22,23	22,23	NOUN
ecletica-408	27	21	]	]	PUNCT
ecletica-408	27	22	with	with	ADP
ecletica-408	27	23	the	the	DET
ecletica-408	27	24	standard	standard	ADJ
ecletica-408	27	25	6	6	NUM
ecletica-408	27	26	-	-	PUNCT
ecletica-408	27	27	311+g	311+g	NOUN
ecletica-408	27	28	*	*	PUNCT
ecletica-408	27	29	and	and	CCONJ
ecletica-408	27	30	6	6	NUM
ecletica-408	27	31	-	-	SYM
ecletica-408	27	32	311++g	311++g	NUM
ecletica-408	27	33	*	*	NOUN
ecletica-408	27	34	*	*	NOUN
ecletica-408	27	35	basis	basis	NOUN
ecletica-408	27	36	sets	set	NOUN
ecletica-408	27	37	.	.	PUNCT
ecletica-408	28	1	the	the	DET
ecletica-408	28	2	dft	dft	PROPN
ecletica-408	28	3	approach	approach	NOUN
ecletica-408	28	4	was	be	AUX
ecletica-408	28	5	chosen	choose	VERB
ecletica-408	28	6	due	due	ADP
ecletica-408	28	7	to	to	ADP
ecletica-408	28	8	the	the	DET
ecletica-408	28	9	large	large	ADJ
ecletica-408	28	10	size	size	NOUN
ecletica-408	28	11	of	of	ADP
ecletica-408	28	12	the	the	DET
ecletica-408	28	13	molecule	molecule	NOUN
ecletica-408	28	14	and	and	CCONJ
ecletica-408	28	15	the	the	DET
ecletica-408	28	16	good	good	ADJ
ecletica-408	28	17	experimental	experimental	ADJ
ecletica-408	28	18	correlations	correlation	NOUN
ecletica-408	28	19	with	with	ADP
ecletica-408	28	20	the	the	DET
ecletica-408	28	21	ir	ir	PROPN
ecletica-408	28	22	frequencies	frequency	NOUN
ecletica-408	28	23	.	.	PUNCT
ecletica-408	29	1	zero	zero	NUM
ecletica-408	29	2	-	-	PUNCT
ecletica-408	29	3	point	point	NOUN
ecletica-408	29	4	energy	energy	NOUN
ecletica-408	29	5	corrections	correction	NOUN
ecletica-408	29	6	scaled	scale	VERB
ecletica-408	29	7	by	by	ADP
ecletica-408	29	8	0.96	0.96	NUM
ecletica-408	29	9	were	be	AUX
ecletica-408	29	10	added	add	VERB
ecletica-408	29	11	to	to	ADP
ecletica-408	29	12	the	the	DET
ecletica-408	29	13	final	final	ADJ
ecletica-408	29	14	dft	dft	NOUN
ecletica-408	29	15	energies	energy	NOUN
ecletica-408	29	16	.	.	PUNCT
ecletica-408	30	1	additionally	additionally	ADV
ecletica-408	30	2	the	the	DET
ecletica-408	30	3	final	final	ADJ
ecletica-408	30	4	molecular	molecular	ADJ
ecletica-408	30	5	energy	energy	NOUN
ecletica-408	30	6	of	of	ADP
ecletica-408	30	7	the	the	DET
ecletica-408	30	8	isomers	isomer	NOUN
ecletica-408	30	9	was	be	AUX
ecletica-408	30	10	calculated	calculate	VERB
ecletica-408	30	11	at	at	ADP
ecletica-408	30	12	mp2	mp2	PROPN
ecletica-408	30	13	level	level	NOUN
ecletica-408	30	14	of	of	ADP
ecletica-408	30	15	theory	theory	NOUN
ecletica-408	30	16	[	[	X
ecletica-408	30	17	24	24	NUM
ecletica-408	30	18	]	]	PUNCT
ecletica-408	30	19	.	.	PUNCT
ecletica-408	31	1	the	the	DET
ecletica-408	31	2	thermodynamical	thermodynamical	ADJ
ecletica-408	31	3	properties	property	NOUN
ecletica-408	31	4	were	be	AUX
ecletica-408	31	5	computed	compute	VERB
ecletica-408	31	6	using	use	VERB
ecletica-408	31	7	the	the	DET
ecletica-408	31	8	simple	simple	ADJ
ecletica-408	31	9	but	but	CCONJ
ecletica-408	32	1	54	54	NUM
ecletica-408	32	2	ecl	ecl	PROPN
ecletica-408	32	3	.	.	PROPN
ecletica-408	32	4	quím	quím	PROPN
ecletica-408	32	5	.	.	PUNCT
ecletica-408	32	6	,	,	PUNCT
ecletica-408	32	7	são	são	PROPN
ecletica-408	32	8	paulo	paulo	PROPN
ecletica-408	32	9	,	,	PUNCT
ecletica-408	32	10	31(1	31(1	NUM
ecletica-408	32	11	):	):	PUNCT
ecletica-408	32	12	53	53	NUM
ecletica-408	32	13	-	-	SYM
ecletica-408	32	14	62	62	NUM
ecletica-408	32	15	,	,	PUNCT
ecletica-408	32	16	2006	2006	NUM
ecletica-408	32	17	y	y	NOUN
ecletica-408	32	18	y	y	PROPN
ecletica-408	32	19	y	y	PROPN
ecletica-408	32	20	y	y	PROPN
ecletica-408	32	21	figure	figure	NOUN
ecletica-408	32	22	1	1	NUM
ecletica-408	32	23	.	.	PUNCT
ecletica-408	32	24	optimized	optimize	VERB
ecletica-408	32	25	geometries	geometry	NOUN
ecletica-408	32	26	od	od	ADP
ecletica-408	32	27	molecular	molecular	ADJ
ecletica-408	32	28	models	model	NOUN
ecletica-408	32	29	of	of	ADP
ecletica-408	32	30	four	four	NUM
ecletica-408	32	31	different	different	ADJ
ecletica-408	32	32	isomers	isomer	NOUN
ecletica-408	32	33	of	of	ADP
ecletica-408	32	34	2	2	NUM
ecletica-408	32	35	-	-	PUNCT
ecletica-408	32	36	n	n	CCONJ
ecletica-408	32	37	,	,	PUNCT
ecletica-408	32	38	n	n	CCONJ
ecletica-408	32	39	-	-	PUNCT
ecletica-408	32	40	dimethylaminecyclohexyl	dimethylaminecyclohexyl	NOUN
ecletica-408	32	41	1	1	NUM
ecletica-408	32	42	-	-	PUNCT
ecletica-408	32	43	n’,ní	n’,ní	ADJ
ecletica-408	32	44	-	-	NOUN
ecletica-408	32	45	dimethylcarbamate	dimethylcarbamate	NOUN
ecletica-408	32	46	.	.	PUNCT
ecletica-408	33	1	reasonably	reasonably	ADV
ecletica-408	33	2	accurate	accurate	ADJ
ecletica-408	33	3	rigid	rigid	ADJ
ecletica-408	33	4	rotor	rotor	NOUN
ecletica-408	33	5	harmonic	harmonic	PROPN
ecletica-408	33	6	oscillator	oscillator	NOUN
ecletica-408	33	7	(	(	PUNCT
ecletica-408	33	8	rrho	rrho	ADJ
ecletica-408	33	9	)	)	PUNCT
ecletica-408	33	10	approximation	approximation	NOUN
ecletica-408	33	11	.	.	PUNCT
ecletica-408	34	1	results	result	NOUN
ecletica-408	34	2	and	and	CCONJ
ecletica-408	34	3	summary	summary	VERB
ecletica-408	34	4	the	the	DET
ecletica-408	34	5	theoretical	theoretical	ADJ
ecletica-408	34	6	molecular	molecular	ADJ
ecletica-408	34	7	energies	energy	NOUN
ecletica-408	34	8	of	of	ADP
ecletica-408	34	9	the	the	DET
ecletica-408	34	10	four	four	NUM
ecletica-408	34	11	isomers	isomer	NOUN
ecletica-408	34	12	(	(	PUNCT
ecletica-408	34	13	table	table	NOUN
ecletica-408	34	14	1	1	NUM
ecletica-408	34	15	)	)	PUNCT
ecletica-408	34	16	reveal	reveal	VERB
ecletica-408	34	17	interesting	interesting	ADJ
ecletica-408	34	18	information	information	NOUN
ecletica-408	34	19	.	.	PUNCT
ecletica-408	35	1	the	the	DET
ecletica-408	35	2	computational	computational	ADJ
ecletica-408	35	3	approach	approach	NOUN
ecletica-408	35	4	predicts	predict	VERB
ecletica-408	35	5	that	that	SCONJ
ecletica-408	35	6	the	the	DET
ecletica-408	35	7	new	new	ADJ
ecletica-408	35	8	isomers	isomer	NOUN
ecletica-408	35	9	should	should	AUX
ecletica-408	35	10	be	be	AUX
ecletica-408	35	11	more	more	ADV
ecletica-408	35	12	stable	stable	ADJ
ecletica-408	35	13	than	than	ADP
ecletica-408	35	14	the	the	DET
ecletica-408	35	15	other	other	ADJ
ecletica-408	35	16	two	two	NUM
ecletica-408	35	17	isomers	isomer	NOUN
ecletica-408	35	18	.	.	PUNCT
ecletica-408	36	1	the	the	DET
ecletica-408	36	2	results	result	NOUN
ecletica-408	36	3	suggest	suggest	VERB
ecletica-408	36	4	,	,	PUNCT
ecletica-408	36	5	that	that	SCONJ
ecletica-408	36	6	isomer	isomer	ADJ
ecletica-408	36	7	4	4	NUM
ecletica-408	36	8	is	be	AUX
ecletica-408	36	9	the	the	DET
ecletica-408	36	10	most	most	ADV
ecletica-408	36	11	stable	stable	ADJ
ecletica-408	36	12	of	of	ADP
ecletica-408	36	13	all	all	DET
ecletica-408	36	14	the	the	DET
ecletica-408	36	15	isomers	isomer	NOUN
ecletica-408	36	16	of	of	ADP
ecletica-408	36	17	2n	2n	NUM
ecletica-408	36	18	,	,	PUNCT
ecletica-408	36	19	n	n	CCONJ
ecletica-408	36	20	-	-	X
ecletica-408	36	21	dimethylaminecyclohexyl	dimethylaminecyclohexyl	NOUN
ecletica-408	36	22	1	1	NUM
ecletica-408	36	23	-	-	PUNCT
ecletica-408	36	24	n’,ní	n’,ní	ADJ
ecletica-408	36	25	-	-	NOUN
ecletica-408	36	26	dimethylcarbamate	dimethylcarbamate	NOUN
ecletica-408	36	27	.	.	PUNCT
ecletica-408	37	1	the	the	DET
ecletica-408	37	2	energy	energy	NOUN
ecletica-408	37	3	of	of	ADP
ecletica-408	37	4	isomer	isomer	PROPN
ecletica-408	37	5	3	3	NUM
ecletica-408	37	6	is	be	AUX
ecletica-408	37	7	~2	~2	ADJ
ecletica-408	37	8	kcal	kcal	PROPN
ecletica-408	37	9	/	/	SYM
ecletica-408	37	10	mol	mol	NOUN
ecletica-408	37	11	higher	high	ADJ
ecletica-408	37	12	than	than	ADP
ecletica-408	37	13	the	the	DET
ecletica-408	37	14	energy	energy	NOUN
ecletica-408	37	15	of	of	ADP
ecletica-408	37	16	isomer	isomer	ADJ
ecletica-408	37	17	4	4	NUM
ecletica-408	37	18	,	,	PUNCT
ecletica-408	37	19	what	what	PRON
ecletica-408	37	20	is	be	AUX
ecletica-408	37	21	well	well	ADV
ecletica-408	37	22	within	within	ADP
ecletica-408	37	23	the	the	DET
ecletica-408	37	24	standard	standard	ADJ
ecletica-408	37	25	error	error	NOUN
ecletica-408	37	26	of	of	ADP
ecletica-408	37	27	the	the	DET
ecletica-408	37	28	b3lyp	b3lyp	PROPN
ecletica-408	37	29	method	method	NOUN
ecletica-408	37	30	(	(	PUNCT
ecletica-408	37	31	estimated	estimate	VERB
ecletica-408	37	32	to	to	PART
ecletica-408	37	33	be	be	AUX
ecletica-408	37	34	~2.2	~2.2	X
ecletica-408	37	35	kcal	kcal	X
ecletica-408	37	36	/	/	SYM
ecletica-408	37	37	mol	mol	NOUN
ecletica-408	37	38	)	)	PUNCT
ecletica-408	37	39	.	.	PUNCT
ecletica-408	38	1	isomer	isomer	PROPN
ecletica-408	38	2	1	1	NUM
ecletica-408	38	3	is	be	AUX
ecletica-408	38	4	also	also	ADV
ecletica-408	38	5	quite	quite	ADV
ecletica-408	38	6	close	close	ADJ
ecletica-408	38	7	on	on	ADP
ecletica-408	38	8	the	the	DET
ecletica-408	38	9	energy	energy	NOUN
ecletica-408	38	10	scale	scale	NOUN
ecletica-408	38	11	with	with	ADP
ecletica-408	38	12	only	only	ADV
ecletica-408	38	13	4.6	4.6	NUM
ecletica-408	38	14	kcal	kcal	NOUN
ecletica-408	38	15	/	/	SYM
ecletica-408	38	16	mol	mol	PROPN
ecletica-408	38	17	(	(	PUNCT
ecletica-408	38	18	2.7	2.7	NUM
ecletica-408	38	19	kcal	kcal	NOUN
ecletica-408	38	20	/	/	SYM
ecletica-408	38	21	mol	mol	NOUN
ecletica-408	38	22	on	on	ADP
ecletica-408	38	23	the	the	DET
ecletica-408	38	24	mp2	mp2	PROPN
ecletica-408	38	25	level	level	NOUN
ecletica-408	38	26	of	of	ADP
ecletica-408	38	27	theory	theory	NOUN
ecletica-408	38	28	)	)	PUNCT
ecletica-408	38	29	more	more	ADJ
ecletica-408	38	30	than	than	ADP
ecletica-408	38	31	isomer	isomer	ADJ
ecletica-408	38	32	4	4	NUM
ecletica-408	38	33	.	.	PUNCT
ecletica-408	39	1	the	the	DET
ecletica-408	39	2	least	least	ADJ
ecletica-408	39	3	stable	stable	ADJ
ecletica-408	39	4	of	of	ADP
ecletica-408	39	5	the	the	DET
ecletica-408	39	6	isomers	isomer	NOUN
ecletica-408	39	7	is	be	AUX
ecletica-408	39	8	compound	compound	NOUN
ecletica-408	39	9	2	2	NUM
ecletica-408	39	10	,	,	PUNCT
ecletica-408	39	11	with	with	ADP
ecletica-408	39	12	~10.5	~10.5	ADJ
ecletica-408	39	13	kcal	kcal	NOUN
ecletica-408	39	14	/	/	SYM
ecletica-408	39	15	mol	mol	ADP
ecletica-408	39	16	more	more	ADJ
ecletica-408	39	17	than	than	ADP
ecletica-408	39	18	isomer	isomer	ADJ
ecletica-408	39	19	4	4	NUM
ecletica-408	39	20	.	.	PUNCT
ecletica-408	40	1	the	the	DET
ecletica-408	40	2	high	high	ADJ
ecletica-408	40	3	stability	stability	NOUN
ecletica-408	40	4	of	of	ADP
ecletica-408	40	5	isomers	isomer	NOUN
ecletica-408	40	6	1	1	NUM
ecletica-408	40	7	,	,	PUNCT
ecletica-408	40	8	3	3	NUM
ecletica-408	40	9	and	and	CCONJ
ecletica-408	40	10	4	4	NUM
ecletica-408	40	11	may	may	AUX
ecletica-408	40	12	be	be	AUX
ecletica-408	40	13	caused	cause	VERB
ecletica-408	40	14	by	by	ADP
ecletica-408	40	15	favorable	favorable	ADJ
ecletica-408	40	16	interactions	interaction	NOUN
ecletica-408	40	17	between	between	ADP
ecletica-408	40	18	the	the	DET
ecletica-408	40	19	n	n	CCONJ
ecletica-408	40	20	-	-	PUNCT
ecletica-408	40	21	dimethyl	dimethyl	NOUN
ecletica-408	40	22	group	group	NOUN
ecletica-408	40	23	and	and	CCONJ
ecletica-408	40	24	carbamate	carbamate	PROPN
ecletica-408	40	25	moiety	moiety	PROPN
ecletica-408	40	26	,	,	PUNCT
ecletica-408	40	27	which	which	PRON
ecletica-408	40	28	in	in	ADP
ecletica-408	40	29	those	those	DET
ecletica-408	40	30	three	three	NUM
ecletica-408	40	31	isomers	isomer	NOUN
ecletica-408	40	32	are	be	AUX
ecletica-408	40	33	relatively	relatively	ADV
ecletica-408	40	34	close	close	ADJ
ecletica-408	40	35	to	to	ADP
ecletica-408	40	36	each	each	DET
ecletica-408	40	37	other	other	ADJ
ecletica-408	40	38	,	,	PUNCT
ecletica-408	40	39	allowing	allow	VERB
ecletica-408	40	40	overlap	overlap	NOUN
ecletica-408	40	41	of	of	ADP
ecletica-408	40	42	55ecl	55ecl	NOUN
ecletica-408	40	43	.	.	PUNCT
ecletica-408	41	1	quím	quím	PROPN
ecletica-408	41	2	.	.	PUNCT
ecletica-408	42	1	,	,	PUNCT
ecletica-408	42	2	são	são	PROPN
ecletica-408	42	3	paulo	paulo	PROPN
ecletica-408	42	4	,	,	PUNCT
ecletica-408	42	5	31(1	31(1	NUM
ecletica-408	42	6	):	):	PUNCT
ecletica-408	42	7	53	53	NUM
ecletica-408	42	8	-	-	SYM
ecletica-408	42	9	62	62	NUM
ecletica-408	42	10	,	,	PUNCT
ecletica-408	42	11	2006	2006	NUM
ecletica-408	42	12	table	table	NOUN
ecletica-408	42	13	1	1	NUM
ecletica-408	42	14	.	.	PUNCT
ecletica-408	42	15	theoretical	theoretical	ADJ
ecletica-408	42	16	relative	relative	ADJ
ecletica-408	42	17	energies	energy	NOUN
ecletica-408	42	18	and	and	CCONJ
ecletica-408	42	19	homo	homo	NOUN
ecletica-408	42	20	/	/	SYM
ecletica-408	42	21	lumo	lumo	NOUN
ecletica-408	42	22	energies	energy	NOUN
ecletica-408	42	23	of	of	ADP
ecletica-408	42	24	four	four	NUM
ecletica-408	42	25	2	2	NUM
ecletica-408	42	26	-	-	PUNCT
ecletica-408	42	27	n	n	CCONJ
ecletica-408	42	28	,	,	PUNCT
ecletica-408	42	29	ndimethylaminecyclohexyl	ndimethylaminecyclohexyl	ADJ
ecletica-408	42	30	1	1	NUM
ecletica-408	42	31	-	-	PUNCT
ecletica-408	42	32	n’,n’-dimethylcarbamate	n’,n’-dimethylcarbamate	NUM
ecletica-408	42	33	isomers	isomer	NOUN
ecletica-408	42	34	calculated	calculate	VERB
ecletica-408	42	35	at	at	ADP
ecletica-408	42	36	different	different	ADJ
ecletica-408	42	37	levels	level	NOUN
ecletica-408	42	38	of	of	ADP
ecletica-408	42	39	theory	theory	NOUN
ecletica-408	42	40	.	.	PUNCT
ecletica-408	43	1	isomer	isomer	PROPN
ecletica-408	43	2	1	1	NUM
ecletica-408	43	3	isomer	isomer	ADJ
ecletica-408	43	4	2	2	NUM
ecletica-408	43	5	isomer	isomer	NOUN
ecletica-408	43	6	3	3	NUM
ecletica-408	43	7	isomer	isomer	ADJ
ecletica-408	43	8	4	4	NUM
ecletica-408	43	9	homodft(hartree	homodft(hartree	NOUN
ecletica-408	43	10	)	)	PUNCT
ecletica-408	43	11	-0.21928	-0.21928	PUNCT
ecletica-408	43	12	-0.21808	-0.21808	PROPN
ecletica-408	44	1	-0.21129	-0.21129	PROPN
ecletica-408	44	2	-0.20853	-0.20853	PUNCT
ecletica-408	45	1	lumodft(hartree	lumodft(hartree	PROPN
ecletica-408	45	2	)	)	PUNCT
ecletica-408	45	3	-0.00211	-0.00211	NOUN
ecletica-408	45	4	-0.00260	-0.00260	PROPN
ecletica-408	45	5	-0.00481	-0.00481	PROPN
ecletica-408	45	6	-0.00172	-0.00172	PROPN
ecletica-408	45	7	∆edft	∆edft	ADJ
ecletica-408	45	8	(	(	PUNCT
ecletica-408	45	9	kcal	kcal	PROPN
ecletica-408	45	10	/	/	SYM
ecletica-408	45	11	mol	mol	NOUN
ecletica-408	45	12	)	)	PUNCT
ecletica-408	45	13	4.15	4.15	NUM
ecletica-408	45	14	10.24	10.24	NUM
ecletica-408	45	15	2.42	2.42	NUM
ecletica-408	45	16	0.0	0.0	NUM
ecletica-408	45	17	homomp2(hartree	homomp2(hartree	NOUN
ecletica-408	45	18	)	)	PUNCT
ecletica-408	45	19	-0.35227	-0.35227	PROPN
ecletica-408	46	1	-0.35081	-0.35081	PROPN
ecletica-408	46	2	-0.34	-0.34	AUX
ecletica-408	46	3	-0.34	-0.34	NUM
ecletica-408	46	4	lumomp2(hartree	lumomp2(hartree	NOUN
ecletica-408	46	5	)	)	PUNCT
ecletica-408	46	6	0.06420	0.06420	NUM
ecletica-408	47	1	0.06472	0.06472	NUM
ecletica-408	47	2	0.06	0.06	NUM
ecletica-408	47	3	0.06	0.06	NUM
ecletica-408	47	4	∆emp2	∆emp2	PROPN
ecletica-408	47	5	(	(	PUNCT
ecletica-408	47	6	kcal	kcal	PROPN
ecletica-408	47	7	/	/	SYM
ecletica-408	47	8	mol	mol	NOUN
ecletica-408	47	9	)	)	PUNCT
ecletica-408	47	10	2.67	2.67	NUM
ecletica-408	47	11	10.47	10.47	NUM
ecletica-408	47	12	1.76	1.76	NUM
ecletica-408	47	13	0.0	0.0	NUM
ecletica-408	47	14	figure	figure	NOUN
ecletica-408	47	15	2	2	NUM
ecletica-408	47	16	.	.	PUNCT
ecletica-408	47	17	experimental	experimental	PROPN
ecletica-408	47	18	ir	ir	PROPN
ecletica-408	47	19	spectrum	spectrum	NOUN
ecletica-408	47	20	of	of	ADP
ecletica-408	47	21	isomer	isomer	PROPN
ecletica-408	47	22	3	3	NUM
ecletica-408	47	23	in	in	ADP
ecletica-408	47	24	3.00	3.00	NUM
ecletica-408	47	25	x	x	SYM
ecletica-408	47	26	10	10	NUM
ecletica-408	47	27	-	-	SYM
ecletica-408	47	28	2	2	NUM
ecletica-408	47	29	m	m	NOUN
ecletica-408	47	30	ccl4	ccl4	NOUN
ecletica-408	47	31	solution	solution	NOUN
ecletica-408	47	32	.	.	PUNCT
ecletica-408	48	1	56	56	NUM
ecletica-408	48	2	ecl	ecl	PROPN
ecletica-408	48	3	.	.	PROPN
ecletica-408	48	4	quím	quím	PROPN
ecletica-408	48	5	.	.	PUNCT
ecletica-408	48	6	,	,	PUNCT
ecletica-408	48	7	são	são	PROPN
ecletica-408	48	8	paulo	paulo	PROPN
ecletica-408	48	9	,	,	PUNCT
ecletica-408	48	10	31(1	31(1	NUM
ecletica-408	48	11	):	):	PUNCT
ecletica-408	48	12	53	53	NUM
ecletica-408	48	13	-	-	SYM
ecletica-408	48	14	62	62	NUM
ecletica-408	48	15	,	,	PUNCT
ecletica-408	48	16	2006	2006	NUM
ecletica-408	48	17	figure	figure	NOUN
ecletica-408	48	18	3	3	NUM
ecletica-408	48	19	.	.	PUNCT
ecletica-408	48	20	experimental	experimental	PROPN
ecletica-408	48	21	ir	ir	PROPN
ecletica-408	48	22	spectrum	spectrum	NOUN
ecletica-408	48	23	of	of	ADP
ecletica-408	48	24	isomer	isomer	PROPN
ecletica-408	48	25	4	4	NUM
ecletica-408	48	26	in	in	ADP
ecletica-408	48	27	3.00	3.00	NUM
ecletica-408	48	28	x	x	SYM
ecletica-408	48	29	10	10	NUM
ecletica-408	48	30	-	-	SYM
ecletica-408	48	31	2	2	NUM
ecletica-408	48	32	m	m	NOUN
ecletica-408	48	33	ccl4	ccl4	NOUN
ecletica-408	48	34	solution	solution	NOUN
ecletica-408	48	35	.	.	PUNCT
ecletica-408	49	1	table	table	NOUN
ecletica-408	49	2	2	2	NUM
ecletica-408	49	3	.	.	PUNCT
ecletica-408	49	4	theoretical	theoretical	ADJ
ecletica-408	49	5	and	and	CCONJ
ecletica-408	49	6	experimental	experimental	ADJ
ecletica-408	49	7	frequencies	frequency	NOUN
ecletica-408	49	8	(	(	PUNCT
ecletica-408	49	9	n	n	CCONJ
ecletica-408	49	10	,	,	PUNCT
ecletica-408	49	11	in	in	ADP
ecletica-408	49	12	cm-1	cm-1	NOUN
ecletica-408	49	13	)	)	PUNCT
ecletica-408	49	14	for	for	ADP
ecletica-408	49	15	isomer	isomer	ADJ
ecletica-408	49	16	3	3	NUM
ecletica-408	49	17	and	and	CCONJ
ecletica-408	49	18	the	the	DET
ecletica-408	49	19	relative	relative	ADJ
ecletica-408	49	20	theoreticalexperimental	theoreticalexperimental	ADJ
ecletica-408	49	21	absolute	absolute	ADJ
ecletica-408	49	22	errors	error	NOUN
ecletica-408	49	23	(	(	PUNCT
ecletica-408	49	24	in	in	ADP
ecletica-408	49	25	cm-1	cm-1	NOUN
ecletica-408	49	26	)	)	PUNCT
ecletica-408	49	27	at	at	ADP
ecletica-408	49	28	different	different	ADJ
ecletica-408	49	29	levels	level	NOUN
ecletica-408	49	30	of	of	ADP
ecletica-408	49	31	theory	theory	NOUN
ecletica-408	49	32	.	.	PUNCT
ecletica-408	50	1	ν	ν	PRON
ecletica-408	50	2	assignment	assignment	NOUN
ecletica-408	50	3	experimental	experimental	ADJ
ecletica-408	50	4	b3lyp/	b3lyp/	NOUN
ecletica-408	50	5	6	6	NUM
ecletica-408	50	6	-	-	PUNCT
ecletica-408	50	7	311+g	311+g	NUM
ecletica-408	50	8	*	*	NOUN
ecletica-408	50	9	b3lyp/	b3lyp/	NOUN
ecletica-408	50	10	6	6	NUM
ecletica-408	50	11	-	-	SYM
ecletica-408	50	12	311++g	311++g	NUM
ecletica-408	50	13	*	*	NOUN
ecletica-408	50	14	*	*	PUNCT
ecletica-408	50	15	ν1	ν1	NOUN
ecletica-408	50	16	ring	ring	NOUN
ecletica-408	50	17	vibration	vibration	NOUN
ecletica-408	50	18	916.5	916.5	NUM
ecletica-408	50	19	886.7	886.7	NUM
ecletica-408	50	20	883.0	883.0	NUM
ecletica-408	50	21	2	2	NUM
ecletica-408	50	22	ring	ring	NOUN
ecletica-408	50	23	vibration	vibration	NOUN
ecletica-408	50	24	952.7	952.7	NUM
ecletica-408	50	25	907.5	907.5	NUM
ecletica-408	50	26	904.2	904.2	NUM
ecletica-408	50	27	3	3	NUM
ecletica-408	50	28	ring	ring	NOUN
ecletica-408	50	29	vibration	vibration	NOUN
ecletica-408	50	30	985.2	985.2	NUM
ecletica-408	50	31	949.2	949.2	NUM
ecletica-408	50	32	945.7	945.7	NUM
ecletica-408	50	33	4	4	NUM
ecletica-408	50	34	amine	amine	ADJ
ecletica-408	50	35	c	c	NOUN
ecletica-408	50	36	-	-	PUNCT
ecletica-408	50	37	n	n	ADV
ecletica-408	50	38	stretching	stretch	VERB
ecletica-408	50	39	1059.9	1059.9	NUM
ecletica-408	50	40	1010.9	1010.9	NUM
ecletica-408	50	41	984.5	984.5	NUM
ecletica-408	50	42	5	5	NUM
ecletica-408	50	43	amine	amine	PROPN
ecletica-408	50	44	ch3	ch3	PROPN
ecletica-408	50	45	deformation	deformation	NOUN
ecletica-408	50	46	1111.4	1111.4	NUM
ecletica-408	50	47	1070.5	1070.5	NUM
ecletica-408	50	48	1061.7	1061.7	NUM
ecletica-408	50	49	6	6	NUM
ecletica-408	50	50	ch2	ch2	NOUN
ecletica-408	50	51	twist	twist	VERB
ecletica-408	50	52	1146.3	1146.3	NUM
ecletica-408	50	53	1109.0	1109.0	NUM
ecletica-408	50	54	1067.0	1067.0	NUM
ecletica-408	50	55	7	7	NUM
ecletica-408	50	56	amide	amide	NOUN
ecletica-408	50	57	ch3	ch3	PROPN
ecletica-408	50	58	wag	wag	VERB
ecletica-408	50	59	1169.9	1169.9	NUM
ecletica-408	50	60	1122.1	1122.1	NUM
ecletica-408	50	61	1102.7	1102.7	NUM
ecletica-408	50	62	8	8	NUM
ecletica-408	50	63	c	c	AUX
ecletica-408	50	64	-	-	PUNCT
ecletica-408	50	65	o	o	NOUN
ecletica-408	50	66	stretching	stretch	VERB
ecletica-408	50	67	1194.5	1194.5	NUM
ecletica-408	50	68	1137.0	1137.0	NUM
ecletica-408	50	69	1132.5	1132.5	NUM
ecletica-408	50	70	9	9	NUM
ecletica-408	50	71	ch2	ch2	NOUN
ecletica-408	50	72	twist	twist	NOUN
ecletica-408	50	73	1274.9	1274.9	NUM
ecletica-408	50	74	1217.3	1217.3	NUM
ecletica-408	50	75	1209.4	1209.4	NUM
ecletica-408	50	76	10	10	NUM
ecletica-408	50	77	ch2	ch2	NOUN
ecletica-408	50	78	twist	twist	VERB
ecletica-408	50	79	1339.9	1339.9	NUM
ecletica-408	50	80	1272.8	1272.8	NUM
ecletica-408	50	81	1265.1	1265.1	NUM
ecletica-408	50	82	11	11	NUM
ecletica-408	50	83	ch2	ch2	NOUN
ecletica-408	50	84	wag	wag	VERB
ecletica-408	50	85	1359.0	1359.0	NUM
ecletica-408	50	86	1288.8	1288.8	NUM
ecletica-408	50	87	1296.3	1296.3	NUM
ecletica-408	50	88	12	12	NUM
ecletica-408	50	89	amide	amide	NOUN
ecletica-408	50	90	ch3	ch3	PROPN
ecletica-408	50	91	deformation	deformation	NOUN
ecletica-408	50	92	1396.1	1396.1	NUM
ecletica-408	50	93	1322.8	1322.8	NUM
ecletica-408	50	94	1325.6	1325.6	NUM
ecletica-408	50	95	13	13	NUM
ecletica-408	50	96	amine	amine	PROPN
ecletica-408	50	97	ch3	ch3	PROPN
ecletica-408	50	98	deformation	deformation	NOUN
ecletica-408	50	99	1450.6	1450.6	NUM
ecletica-408	50	100	1380.1	1380.1	NUM
ecletica-408	50	101	1371.6	1371.6	NUM
ecletica-408	50	102	14	14	NUM
ecletica-408	50	103	amine	amine	ADJ
ecletica-408	50	104	c	c	NOUN
ecletica-408	50	105	-	-	PUNCT
ecletica-408	50	106	h	h	NOUN
ecletica-408	50	107	stretching	stretch	VERB
ecletica-408	50	108	1489.9	1489.9	NUM
ecletica-408	50	109	1415.1	1415.1	NUM
ecletica-408	50	110	1414.8	1414.8	NUM
ecletica-408	50	111	15	15	NUM
ecletica-408	50	112	amine	amine	ADJ
ecletica-408	50	113	c	c	NOUN
ecletica-408	50	114	-	-	PUNCT
ecletica-408	50	115	h	h	NOUN
ecletica-408	50	116	stretching	stretch	VERB
ecletica-408	50	117	1558.0	1558.0	NUM
ecletica-408	50	118	1475.2	1475.2	NUM
ecletica-408	50	119	1463.0	1463.0	NUM
ecletica-408	50	120	16	16	NUM
ecletica-408	50	121	c	c	NOUN
ecletica-408	50	122	=	=	NOUN
ecletica-408	50	123	o	o	X
ecletica-408	50	124	stretching	stretch	VERB
ecletica-408	50	125	1700.5	1700.5	NUM
ecletica-408	50	126	1666.8	1666.8	NUM
ecletica-408	50	127	1664.2	1664.2	NUM
ecletica-408	50	128	17	17	NUM
ecletica-408	50	129	ring	ring	NOUN
ecletica-408	50	130	c	c	AUX
ecletica-408	50	131	-	-	PUNCT
ecletica-408	50	132	h	h	NOUN
ecletica-408	50	133	stretching	stretch	VERB
ecletica-408	50	134	2773.2	2773.2	NUM
ecletica-408	50	135	2771.9	2771.9	NUM
ecletica-408	50	136	2766.1	2766.1	NUM
ecletica-408	50	137	18	18	NUM
ecletica-408	50	138	ring	ring	NOUN
ecletica-408	50	139	c	c	AUX
ecletica-408	50	140	-	-	PUNCT
ecletica-408	50	141	h	h	NOUN
ecletica-408	50	142	stretching	stretch	VERB
ecletica-408	50	143	2820.9	2820.9	NUM
ecletica-408	50	144	2784.6	2784.6	NUM
ecletica-408	50	145	2778.5	2778.5	NUM
ecletica-408	50	146	19	19	NUM
ecletica-408	50	147	ring	ring	NOUN
ecletica-408	50	148	vibration	vibration	NOUN
ecletica-408	50	149	2865.2	2865.2	NUM
ecletica-408	50	150	2853.6	2853.6	NUM
ecletica-408	50	151	2854.8	2854.8	NUM
ecletica-408	50	152	20	20	NUM
ecletica-408	50	153	ring	ring	NOUN
ecletica-408	50	154	vibration	vibration	NOUN
ecletica-408	50	155	2937.5	2937.5	NUM
ecletica-408	50	156	2920.8	2920.8	NUM
ecletica-408	50	157	2917.5	2917.5	NUM
ecletica-408	50	158	average	average	ADJ
ecletica-408	50	159	error	error	NOUN
ecletica-408	50	160	3.56	3.56	NUM
ecletica-408	50	161	4.20	4.20	NUM
ecletica-408	50	162	ν	ν	NOUN
ecletica-408	50	163	ν	ν	NOUN
ecletica-408	50	164	ν	ν	X
ecletica-408	50	165	ν	ν	X
ecletica-408	50	166	ν	ν	X
ecletica-408	50	167	ν	ν	X
ecletica-408	50	168	ν	ν	X
ecletica-408	50	169	ν	ν	X
ecletica-408	50	170	ν	ν	X
ecletica-408	50	171	ν	ν	X
ecletica-408	50	172	ν	ν	X
ecletica-408	50	173	ν	ν	X
ecletica-408	50	174	ν	ν	X
ecletica-408	50	175	ν	ν	X
ecletica-408	50	176	ν	ν	X
ecletica-408	50	177	ν	ν	X
ecletica-408	50	178	ν	ν	NOUN
ecletica-408	50	179	ν	ν	NOUN
ecletica-408	50	180	ν	ν	ADP
ecletica-408	50	181	the	the	DET
ecletica-408	50	182	molecular	molecular	ADJ
ecletica-408	50	183	orbitals	orbital	NOUN
ecletica-408	50	184	.	.	PUNCT
ecletica-408	51	1	on	on	ADP
ecletica-408	51	2	the	the	DET
ecletica-408	51	3	other	other	ADJ
ecletica-408	51	4	hand	hand	NOUN
ecletica-408	51	5	in	in	ADP
ecletica-408	51	6	isomer	isomer	PROPN
ecletica-408	51	7	2	2	NUM
ecletica-408	51	8	those	those	DET
ecletica-408	51	9	two	two	NUM
ecletica-408	51	10	groups	group	NOUN
ecletica-408	51	11	are	be	AUX
ecletica-408	51	12	on	on	ADP
ecletica-408	51	13	the	the	DET
ecletica-408	51	14	opposite	opposite	ADJ
ecletica-408	51	15	sides	side	NOUN
ecletica-408	51	16	of	of	ADP
ecletica-408	51	17	the	the	DET
ecletica-408	51	18	cyclohexyl	cyclohexyl	PROPN
ecletica-408	51	19	ring	ring	NOUN
ecletica-408	51	20	,	,	PUNCT
ecletica-408	51	21	preventing	prevent	VERB
ecletica-408	51	22	any	any	DET
ecletica-408	51	23	interactions	interaction	NOUN
ecletica-408	51	24	between	between	ADP
ecletica-408	51	25	them	they	PRON
ecletica-408	51	26	.	.	PUNCT
ecletica-408	52	1	the	the	DET
ecletica-408	52	2	ir	ir	PROPN
ecletica-408	52	3	spectra	spectra	PROPN
ecletica-408	52	4	[	[	X
ecletica-408	52	5	fig	fig	NOUN
ecletica-408	52	6	.	.	NOUN
ecletica-408	52	7	2	2	NUM
ecletica-408	52	8	and	and	CCONJ
ecletica-408	52	9	3	3	NUM
ecletica-408	52	10	]	]	PUNCT
ecletica-408	52	11	of	of	ADP
ecletica-408	52	12	the	the	DET
ecletica-408	52	13	two	two	NUM
ecletica-408	52	14	new	new	ADJ
ecletica-408	52	15	isomers	isomer	NOUN
ecletica-408	52	16	are	be	AUX
ecletica-408	52	17	very	very	ADV
ecletica-408	52	18	similar	similar	ADJ
ecletica-408	52	19	but	but	CCONJ
ecletica-408	52	20	show	show	VERB
ecletica-408	52	21	small	small	ADJ
ecletica-408	52	22	differences	difference	NOUN
ecletica-408	52	23	.	.	PUNCT
ecletica-408	53	1	a	a	DET
ecletica-408	53	2	thorough	thorough	ADJ
ecletica-408	53	3	analysis	analysis	NOUN
ecletica-408	53	4	of	of	ADP
ecletica-408	53	5	the	the	DET
ecletica-408	53	6	most	most	ADV
ecletica-408	53	7	important	important	ADJ
ecletica-408	53	8	vibrations	vibration	NOUN
ecletica-408	53	9	[	[	X
ecletica-408	53	10	table	table	NOUN
ecletica-408	53	11	2	2	NUM
ecletica-408	53	12	and	and	CCONJ
ecletica-408	53	13	3	3	NUM
ecletica-408	53	14	]	]	PUNCT
ecletica-408	53	15	allowed	allow	VERB
ecletica-408	53	16	us	we	PRON
ecletica-408	53	17	to	to	PART
ecletica-408	53	18	assign	assign	VERB
ecletica-408	53	19	specific	specific	ADJ
ecletica-408	53	20	modes	mode	NOUN
ecletica-408	53	21	to	to	ADP
ecletica-408	53	22	particular	particular	ADJ
ecletica-408	53	23	vibrations	vibration	NOUN
ecletica-408	53	24	.	.	PUNCT
ecletica-408	54	1	it	it	PRON
ecletica-408	54	2	is	be	AUX
ecletica-408	54	3	clear	clear	ADJ
ecletica-408	54	4	that	that	SCONJ
ecletica-408	54	5	,	,	PUNCT
ecletica-408	54	6	while	while	SCONJ
ecletica-408	54	7	the	the	DET
ecletica-408	54	8	ir	ir	PROPN
ecletica-408	54	9	spectra	spectra	PROPN
ecletica-408	54	10	are	be	AUX
ecletica-408	54	11	similar	similar	ADJ
ecletica-408	54	12	,	,	PUNCT
ecletica-408	54	13	the	the	DET
ecletica-408	54	14	small	small	ADJ
ecletica-408	54	15	differences	difference	NOUN
ecletica-408	54	16	existing	exist	VERB
ecletica-408	54	17	may	may	AUX
ecletica-408	54	18	be	be	AUX
ecletica-408	54	19	useful	useful	ADJ
ecletica-408	54	20	in	in	ADP
ecletica-408	54	21	analyzing	analyze	VERB
ecletica-408	54	22	the	the	DET
ecletica-408	54	23	occurrence	occurrence	NOUN
ecletica-408	54	24	of	of	ADP
ecletica-408	54	25	the	the	DET
ecletica-408	54	26	isomers	isomer	NOUN
ecletica-408	54	27	in	in	ADP
ecletica-408	54	28	the	the	DET
ecletica-408	54	29	sample	sample	NOUN
ecletica-408	54	30	.	.	PUNCT
ecletica-408	55	1	it	it	PRON
ecletica-408	55	2	is	be	AUX
ecletica-408	55	3	also	also	ADV
ecletica-408	55	4	interesting	interesting	ADJ
ecletica-408	55	5	to	to	PART
ecletica-408	55	6	notice	notice	VERB
ecletica-408	55	7	a	a	DET
ecletica-408	55	8	good	good	ADJ
ecletica-408	55	9	agreement	agreement	NOUN
ecletica-408	55	10	between	between	ADP
ecletica-408	55	11	the	the	DET
ecletica-408	55	12	experimental	experimental	ADJ
ecletica-408	55	13	and	and	CCONJ
ecletica-408	55	14	the	the	DET
ecletica-408	55	15	theoretical	theoretical	ADJ
ecletica-408	55	16	spectra	spectra	NOUN
ecletica-408	55	17	,	,	PUNCT
ecletica-408	55	18	which	which	PRON
ecletica-408	55	19	allow	allow	VERB
ecletica-408	55	20	us	we	PRON
ecletica-408	55	21	to	to	PART
ecletica-408	55	22	validate	validate	VERB
ecletica-408	55	23	the	the	DET
ecletica-408	55	24	computational	computational	ADJ
ecletica-408	55	25	approach	approach	NOUN
ecletica-408	55	26	presented	present	VERB
ecletica-408	55	27	in	in	ADP
ecletica-408	55	28	this	this	DET
ecletica-408	55	29	study	study	NOUN
ecletica-408	55	30	.	.	PUNCT
ecletica-408	56	1	table	table	NOUN
ecletica-408	56	2	4	4	NUM
ecletica-408	56	3	presents	present	VERB
ecletica-408	56	4	the	the	DET
ecletica-408	56	5	estimation	estimation	NOUN
ecletica-408	56	6	of	of	ADP
ecletica-408	56	7	the	the	DET
ecletica-408	56	8	thermodynamic	thermodynamic	ADJ
ecletica-408	56	9	properties	property	NOUN
ecletica-408	56	10	(	(	PUNCT
ecletica-408	56	11	entropy	entropy	PROPN
ecletica-408	56	12	,	,	PUNCT
ecletica-408	56	13	heat	heat	NOUN
ecletica-408	56	14	capacity	capacity	NOUN
ecletica-408	56	15	at	at	ADP
ecletica-408	56	16	constant	constant	ADJ
ecletica-408	56	17	pressure	pressure	NOUN
ecletica-408	56	18	,	,	PUNCT
ecletica-408	56	19	enthalpy	enthalpy	NOUN
ecletica-408	56	20	)	)	PUNCT
ecletica-408	56	21	of	of	ADP
ecletica-408	56	22	all	all	DET
ecletica-408	56	23	4	4	NUM
ecletica-408	56	24	isomers	isomer	NOUN
ecletica-408	56	25	at	at	ADP
ecletica-408	56	26	different	different	ADJ
ecletica-408	56	27	temperatures	temperature	NOUN
ecletica-408	56	28	.	.	PUNCT
ecletica-408	57	1	the	the	DET
ecletica-408	57	2	calculated	calculate	VERB
ecletica-408	57	3	data	datum	NOUN
ecletica-408	57	4	was	be	AUX
ecletica-408	57	5	fit	fit	ADJ
ecletica-408	57	6	to	to	ADP
ecletica-408	57	7	the	the	DET
ecletica-408	57	8	shomate	shomate	ADJ
ecletica-408	57	9	equations	equation	NOUN
ecletica-408	57	10	,	,	PUNCT
ecletica-408	57	11	as	as	SCONJ
ecletica-408	57	12	implemented	implement	VERB
ecletica-408	57	13	by	by	ADP
ecletica-408	57	14	the	the	DET
ecletica-408	57	15	national	national	PROPN
ecletica-408	57	16	institute	institute	PROPN
ecletica-408	57	17	of	of	ADP
ecletica-408	57	18	standards	standard	NOUN
ecletica-408	57	19	and	and	CCONJ
ecletica-408	57	20	technology	technology	NOUN
ecletica-408	57	21	(	(	PUNCT
ecletica-408	57	22	nist	nist	NOUN
ecletica-408	57	23	)	)	PUNCT
ecletica-408	58	1	[	[	X
ecletica-408	58	2	25	25	NUM
ecletica-408	58	3	]	]	PUNCT
ecletica-408	58	4	to	to	PART
ecletica-408	58	5	yield	yield	VERB
ecletica-408	58	6	the	the	DET
ecletica-408	58	7	best	good	ADJ
ecletica-408	58	8	values	value	NOUN
ecletica-408	58	9	.	.	PUNCT
ecletica-408	59	1	it	it	PRON
ecletica-408	59	2	is	be	AUX
ecletica-408	59	3	interesting	interesting	ADJ
ecletica-408	59	4	to	to	PART
ecletica-408	59	5	notice	notice	VERB
ecletica-408	59	6	that	that	SCONJ
ecletica-408	59	7	,	,	PUNCT
ecletica-408	59	8	while	while	SCONJ
ecletica-408	59	9	isomers	isomer	NOUN
ecletica-408	59	10	1	1	NUM
ecletica-408	59	11	and	and	CCONJ
ecletica-408	59	12	4	4	NUM
ecletica-408	59	13	are	be	AUX
ecletica-408	59	14	close	close	ADJ
ecletica-408	59	15	on	on	ADP
ecletica-408	59	16	the	the	DET
ecletica-408	59	17	energetical	energetical	ADJ
ecletica-408	59	18	scale	scale	NOUN
ecletica-408	59	19	,	,	PUNCT
ecletica-408	59	20	the	the	DET
ecletica-408	59	21	predicted	predict	VERB
ecletica-408	59	22	thermochemical	thermochemical	ADJ
ecletica-408	59	23	properties	property	NOUN
ecletica-408	59	24	of	of	ADP
ecletica-408	59	25	these	these	DET
ecletica-408	59	26	compounds	compound	NOUN
ecletica-408	59	27	are	be	AUX
ecletica-408	59	28	substantially	substantially	ADV
ecletica-408	59	29	different	different	ADJ
ecletica-408	59	30	.	.	PUNCT
ecletica-408	60	1	on	on	ADP
ecletica-408	60	2	the	the	DET
ecletica-408	60	3	other	other	ADJ
ecletica-408	60	4	hand	hand	NOUN
ecletica-408	60	5	the	the	DET
ecletica-408	60	6	thermochemical	thermochemical	ADJ
ecletica-408	60	7	properties	property	NOUN
ecletica-408	60	8	of	of	ADP
ecletica-408	60	9	isomer	isomer	ADJ
ecletica-408	60	10	2	2	NUM
ecletica-408	60	11	and	and	CCONJ
ecletica-408	60	12	4	4	NUM
ecletica-408	60	13	are	be	AUX
ecletica-408	60	14	quite	quite	ADV
ecletica-408	60	15	similar	similar	ADJ
ecletica-408	60	16	in	in	ADP
ecletica-408	60	17	spite	spite	NOUN
ecletica-408	60	18	of	of	ADP
ecletica-408	60	19	the	the	DET
ecletica-408	60	20	large	large	ADJ
ecletica-408	60	21	differences	difference	NOUN
ecletica-408	60	22	in	in	ADP
ecletica-408	60	23	their	their	PRON
ecletica-408	60	24	molecular	molecular	ADJ
ecletica-408	60	25	energy	energy	NOUN
ecletica-408	60	26	.	.	PUNCT
ecletica-408	61	1	the	the	DET
ecletica-408	61	2	data	datum	NOUN
ecletica-408	61	3	obtained	obtain	VERB
ecletica-408	61	4	using	use	VERB
ecletica-408	61	5	shomate	shomate	ADJ
ecletica-408	61	6	equations	equation	NOUN
ecletica-408	61	7	allow	allow	VERB
ecletica-408	61	8	to	to	PART
ecletica-408	61	9	predict	predict	VERB
ecletica-408	61	10	different	different	ADJ
ecletica-408	61	11	values	value	NOUN
ecletica-408	61	12	of	of	ADP
ecletica-408	61	13	some	some	PRON
ecletica-408	61	14	of	of	ADP
ecletica-408	61	15	the	the	DET
ecletica-408	61	16	thermochemical	thermochemical	ADJ
ecletica-408	61	17	properties	property	NOUN
ecletica-408	61	18	of	of	ADP
ecletica-408	61	19	all	all	DET
ecletica-408	61	20	four	four	NUM
ecletica-408	61	21	isomers	isomer	NOUN
ecletica-408	61	22	at	at	ADP
ecletica-408	61	23	different	different	ADJ
ecletica-408	61	24	temperatures	temperature	NOUN
ecletica-408	61	25	,	,	PUNCT
ecletica-408	61	26	thus	thus	ADV
ecletica-408	61	27	57ecl	57ecl	NOUN
ecletica-408	61	28	.	.	PUNCT
ecletica-408	62	1	quím	quím	PROPN
ecletica-408	62	2	.	.	PUNCT
ecletica-408	62	3	,	,	PUNCT
ecletica-408	62	4	são	são	PROPN
ecletica-408	62	5	paulo	paulo	PROPN
ecletica-408	62	6	,	,	PUNCT
ecletica-408	62	7	31(1	31(1	NUM
ecletica-408	62	8	):	):	PUNCT
ecletica-408	62	9	53	53	NUM
ecletica-408	62	10	-	-	SYM
ecletica-408	62	11	62	62	NUM
ecletica-408	62	12	,	,	PUNCT
ecletica-408	62	13	2006	2006	NUM
ecletica-408	62	14	table	table	NOUN
ecletica-408	62	15	3	3	NUM
ecletica-408	62	16	.	.	PUNCT
ecletica-408	62	17	theoretical	theoretical	ADJ
ecletica-408	62	18	and	and	CCONJ
ecletica-408	62	19	experimental	experimental	ADJ
ecletica-408	62	20	frequencies	frequency	NOUN
ecletica-408	62	21	(	(	PUNCT
ecletica-408	62	22	n	n	CCONJ
ecletica-408	62	23	,	,	PUNCT
ecletica-408	62	24	in	in	ADP
ecletica-408	62	25	cm-1	cm-1	NOUN
ecletica-408	62	26	)	)	PUNCT
ecletica-408	62	27	for	for	ADP
ecletica-408	62	28	isomer	isomer	ADJ
ecletica-408	62	29	4	4	NUM
ecletica-408	62	30	and	and	CCONJ
ecletica-408	62	31	the	the	DET
ecletica-408	62	32	relative	relative	ADJ
ecletica-408	62	33	theoretical	theoretical	ADJ
ecletica-408	62	34	-	-	PUNCT
ecletica-408	62	35	experimental	experimental	ADJ
ecletica-408	62	36	absolute	absolute	ADJ
ecletica-408	62	37	errors	error	NOUN
ecletica-408	62	38	(	(	PUNCT
ecletica-408	62	39	in	in	ADP
ecletica-408	62	40	cm-1	cm-1	NOUN
ecletica-408	62	41	)	)	PUNCT
ecletica-408	62	42	at	at	ADP
ecletica-408	62	43	different	different	ADJ
ecletica-408	62	44	levels	level	NOUN
ecletica-408	62	45	of	of	ADP
ecletica-408	62	46	theory	theory	NOUN
ecletica-408	62	47	.	.	PUNCT
ecletica-408	63	1	assignment	assignment	NOUN
ecletica-408	63	2	experimental	experimental	ADJ
ecletica-408	63	3	b3lyp/	b3lyp/	NOUN
ecletica-408	63	4	6	6	NUM
ecletica-408	63	5	-	-	PUNCT
ecletica-408	63	6	311+g	311+g	NUM
ecletica-408	63	7	*	*	NOUN
ecletica-408	63	8	b3lyp/	b3lyp/	NOUN
ecletica-408	63	9	6	6	NUM
ecletica-408	63	10	-	-	SYM
ecletica-408	63	11	311++g	311++g	NUM
ecletica-408	63	12	*	*	NOUN
ecletica-408	63	13	*	*	SYM
ecletica-408	63	14	1	1	NUM
ecletica-408	63	15	ring	ring	NOUN
ecletica-408	63	16	vibration	vibration	NOUN
ecletica-408	63	17	940.2	940.2	NUM
ecletica-408	63	18	910.7	910.7	NUM
ecletica-408	63	19	906.8	906.8	NUM
ecletica-408	63	20	2	2	NUM
ecletica-408	63	21	ring	ring	NOUN
ecletica-408	63	22	vibration	vibration	NOUN
ecletica-408	63	23	955.9	955.9	NUM
ecletica-408	63	24	918.6	918.6	NUM
ecletica-408	63	25	915.8	915.8	NUM
ecletica-408	63	26	3	3	NUM
ecletica-408	63	27	ring	ring	NOUN
ecletica-408	63	28	vibration	vibration	NOUN
ecletica-408	63	29	1001.0	1001.0	NUM
ecletica-408	63	30	965.7	965.7	NUM
ecletica-408	63	31	962.4	962.4	NUM
ecletica-408	63	32	4	4	NUM
ecletica-408	63	33	ring	ring	NOUN
ecletica-408	63	34	vibration	vibration	NOUN
ecletica-408	63	35	1060.4	1060.4	NUM
ecletica-408	63	36	998.3	998.3	NUM
ecletica-408	63	37	1010.2	1010.2	NUM
ecletica-408	63	38	5	5	NUM
ecletica-408	63	39	ring	ring	NOUN
ecletica-408	63	40	vibration	vibration	NOUN
ecletica-408	63	41	1097.2	1097.2	NUM
ecletica-408	63	42	1042.6	1042.6	NUM
ecletica-408	63	43	1039	1039	NUM
ecletica-408	63	44	6	6	NUM
ecletica-408	63	45	amine	amine	PROPN
ecletica-408	63	46	ch3	ch3	PROPN
ecletica-408	63	47	deformation	deformation	NOUN
ecletica-408	63	48	1118.3	1118.3	NUM
ecletica-408	63	49	1070.4	1070.4	NUM
ecletica-408	63	50	1061.1	1061.1	NUM
ecletica-408	63	51	7	7	NUM
ecletica-408	63	52	amine	amine	ADJ
ecletica-408	63	53	c	c	NOUN
ecletica-408	63	54	-	-	PUNCT
ecletica-408	63	55	n	n	NOUN
ecletica-408	63	56	stretching	stretch	VERB
ecletica-408	63	57	1191.2	1191.2	NUM
ecletica-408	63	58	1127.5	1127.5	NUM
ecletica-408	63	59	1119.1	1119.1	NUM
ecletica-408	63	60	8	8	NUM
ecletica-408	63	61	amine	amine	ADJ
ecletica-408	63	62	c	c	NOUN
ecletica-408	63	63	-	-	PUNCT
ecletica-408	63	64	n	n	NOUN
ecletica-408	63	65	stretching	stretch	VERB
ecletica-408	63	66	1259.9	1259.9	NUM
ecletica-408	63	67	1182.6	1182.6	NUM
ecletica-408	63	68	1176.2	1176.2	NUM
ecletica-408	63	69	9	9	NUM
ecletica-408	63	70	amine	amine	ADJ
ecletica-408	63	71	c	c	NOUN
ecletica-408	63	72	-	-	PUNCT
ecletica-408	63	73	n	n	NOUN
ecletica-408	63	74	stretching	stretch	VERB
ecletica-408	63	75	1276.2	1276.2	NUM
ecletica-408	63	76	1224.1	1224.1	NUM
ecletica-408	63	77	1215.9	1215.9	NUM
ecletica-408	63	78	10	10	NUM
ecletica-408	63	79	ch2	ch2	PROPN
ecletica-408	63	80	wag	wag	VERB
ecletica-408	63	81	1343.7	1343.7	NUM
ecletica-408	63	82	1266.6	1266.6	NUM
ecletica-408	63	83	1280	1280	NUM
ecletica-408	63	84	11	11	NUM
ecletica-408	63	85	ch3	ch3	PROPN
ecletica-408	63	86	amide	amide	NOUN
ecletica-408	63	87	deformation	deformation	NOUN
ecletica-408	63	88	1354.8	1354.8	NUM
ecletica-408	63	89	1289.3	1289.3	NUM
ecletica-408	63	90	1298.4	1298.4	NUM
ecletica-408	63	91	12	12	NUM
ecletica-408	63	92	ch3	ch3	PROPN
ecletica-408	63	93	amide	amide	NOUN
ecletica-408	63	94	deformation	deformation	NOUN
ecletica-408	63	95	1394.2	1394.2	NUM
ecletica-408	63	96	1321.4	1321.4	NUM
ecletica-408	63	97	1316.8	1316.8	NUM
ecletica-408	63	98	13	13	NUM
ecletica-408	63	99	amine	amine	ADJ
ecletica-408	63	100	c	c	NOUN
ecletica-408	63	101	-	-	PUNCT
ecletica-408	63	102	h	h	NOUN
ecletica-408	63	103	stretching	stretch	VERB
ecletica-408	63	104	1408.1	1408.1	NUM
ecletica-408	63	105	1325.6	1325.6	NUM
ecletica-408	63	106	1351.4	1351.4	NUM
ecletica-408	63	107	14	14	NUM
ecletica-408	63	108	amine	amine	ADJ
ecletica-408	63	109	c	c	NOUN
ecletica-408	63	110	-	-	PUNCT
ecletica-408	63	111	h	h	NOUN
ecletica-408	63	112	stretching	stretch	VERB
ecletica-408	63	113	1451.9	1451.9	NUM
ecletica-408	63	114	1381.2	1381.2	NUM
ecletica-408	63	115	1377.6	1377.6	NUM
ecletica-408	63	116	15	15	NUM
ecletica-408	63	117	amine	amine	ADJ
ecletica-408	63	118	c	c	NOUN
ecletica-408	63	119	-	-	PUNCT
ecletica-408	63	120	h	h	NOUN
ecletica-408	63	121	stretching	stretch	VERB
ecletica-408	63	122	1490.3	1490.3	NUM
ecletica-408	63	123	1416.8	1416.8	NUM
ecletica-408	63	124	1418.2	1418.2	NUM
ecletica-408	63	125	16	16	NUM
ecletica-408	63	126	c	c	NOUN
ecletica-408	63	127	=	=	NOUN
ecletica-408	63	128	o	o	X
ecletica-408	63	129	stretching	stretch	VERB
ecletica-408	63	130	1652.9	1652.9	NUM
ecletica-408	63	131	1476.4	1476.4	NUM
ecletica-408	63	132	1464.3	1464.3	NUM
ecletica-408	63	133	17	17	NUM
ecletica-408	63	134	ring	ring	NOUN
ecletica-408	63	135	c	c	AUX
ecletica-408	63	136	-	-	PUNCT
ecletica-408	63	137	h	h	NOUN
ecletica-408	63	138	stretching	stretch	VERB
ecletica-408	63	139	1700.8	1700.8	NUM
ecletica-408	63	140	1662.7	1662.7	NUM
ecletica-408	63	141	1660.1	1660.1	NUM
ecletica-408	63	142	18	18	NUM
ecletica-408	63	143	ring	ring	NOUN
ecletica-408	63	144	vibration	vibration	NOUN
ecletica-408	63	145	2781.2	2781.2	NUM
ecletica-408	63	146	2771.7	2771.7	NUM
ecletica-408	63	147	2765.6	2765.6	NUM
ecletica-408	63	148	19	19	NUM
ecletica-408	63	149	ring	ring	NOUN
ecletica-408	63	150	vibration	vibration	NOUN
ecletica-408	63	151	2827.3	2827.3	NUM
ecletica-408	63	152	2790.0	2790.0	NUM
ecletica-408	63	153	2784.6	2784.6	NUM
ecletica-408	63	154	20	20	NUM
ecletica-408	63	155	ring	ring	NOUN
ecletica-408	63	156	vibration	vibration	NOUN
ecletica-408	63	157	2862.2	2862.2	NUM
ecletica-408	63	158	2857.0	2857.0	NUM
ecletica-408	63	159	2854.9	2854.9	NUM
ecletica-408	63	160	21	21	NUM
ecletica-408	63	161	ring	ring	NOUN
ecletica-408	63	162	vibration	vibration	NOUN
ecletica-408	63	163	2936.7	2936.7	NUM
ecletica-408	63	164	2864.4	2864.4	NUM
ecletica-408	63	165	2869.1	2869.1	NUM
ecletica-408	63	166	average	average	ADJ
ecletica-408	63	167	error	error	NOUN
ecletica-408	63	168	4.28	4.28	NUM
ecletica-408	63	169	4.34	4.34	NUM
ecletica-408	63	170	ν	ν	NOUN
ecletica-408	63	171	ν	ν	NOUN
ecletica-408	63	172	ν	ν	X
ecletica-408	63	173	ν	ν	X
ecletica-408	63	174	ν	ν	X
ecletica-408	63	175	ν	ν	X
ecletica-408	63	176	ν	ν	X
ecletica-408	63	177	ν	ν	X
ecletica-408	63	178	ν	ν	X
ecletica-408	63	179	ν	ν	X
ecletica-408	63	180	ν	ν	X
ecletica-408	63	181	ν	ν	X
ecletica-408	63	182	ν	ν	X
ecletica-408	63	183	ν	ν	X
ecletica-408	63	184	ν	ν	X
ecletica-408	63	185	ν	ν	X
ecletica-408	63	186	ν	ν	X
ecletica-408	63	187	ν	ν	X
ecletica-408	63	188	ν	ν	X
ecletica-408	63	189	ν	ν	X
ecletica-408	63	190	ν	ν	NOUN
ecletica-408	63	191	ν	ν	NOUN
ecletica-408	63	192	providing	provide	VERB
ecletica-408	63	193	additional	additional	ADJ
ecletica-408	63	194	means	mean	NOUN
ecletica-408	63	195	of	of	ADP
ecletica-408	63	196	detecting	detect	VERB
ecletica-408	63	197	different	different	ADJ
ecletica-408	63	198	isomers	isomer	NOUN
ecletica-408	63	199	.	.	PUNCT
ecletica-408	64	1	these	these	DET
ecletica-408	64	2	methods	method	NOUN
ecletica-408	64	3	allow	allow	VERB
ecletica-408	64	4	for	for	ADP
ecletica-408	64	5	distinction	distinction	NOUN
ecletica-408	64	6	of	of	ADP
ecletica-408	64	7	isomers	isomer	NOUN
ecletica-408	64	8	to	to	PART
ecletica-408	64	9	be	be	AUX
ecletica-408	64	10	performed	perform	VERB
ecletica-408	64	11	under	under	ADP
ecletica-408	64	12	various	various	ADJ
ecletica-408	64	13	thermodynamical	thermodynamical	ADJ
ecletica-408	64	14	conditions	condition	NOUN
ecletica-408	64	15	.	.	PUNCT
ecletica-408	65	1	they	they	PRON
ecletica-408	65	2	are	be	AUX
ecletica-408	65	3	very	very	ADV
ecletica-408	65	4	useful	useful	ADJ
ecletica-408	65	5	for	for	ADP
ecletica-408	65	6	indexing	indexing	NOUN
ecletica-408	65	7	purposes	purpose	NOUN
ecletica-408	65	8	by	by	ADP
ecletica-408	65	9	government	government	NOUN
ecletica-408	65	10	agencies	agency	NOUN
ecletica-408	65	11	.	.	PUNCT
ecletica-408	66	1	conclusions	conclusion	NOUN
ecletica-408	66	2	experimental	experimental	PROPN
ecletica-408	66	3	ir	ir	PROPN
ecletica-408	66	4	spectra	spectra	PROPN
ecletica-408	66	5	and	and	CCONJ
ecletica-408	66	6	theoretical	theoretical	ADJ
ecletica-408	66	7	calculations	calculation	NOUN
ecletica-408	66	8	were	be	AUX
ecletica-408	66	9	used	use	VERB
ecletica-408	66	10	to	to	PART
ecletica-408	66	11	inspect	inspect	VERB
ecletica-408	66	12	the	the	DET
ecletica-408	66	13	stability	stability	NOUN
ecletica-408	66	14	of	of	ADP
ecletica-408	66	15	two	two	NUM
ecletica-408	66	16	new	new	ADJ
ecletica-408	66	17	isomers	isomer	NOUN
ecletica-408	66	18	of	of	ADP
ecletica-408	66	19	2	2	NUM
ecletica-408	66	20	-	-	PUNCT
ecletica-408	66	21	n	n	CCONJ
ecletica-408	66	22	,	,	PUNCT
ecletica-408	66	23	n	n	CCONJ
ecletica-408	66	24	-	-	PUNCT
ecletica-408	66	25	dimethylaminecy58	dimethylaminecy58	NOUN
ecletica-408	66	26	ecl	ecl	PROPN
ecletica-408	66	27	.	.	PROPN
ecletica-408	66	28	quím	quím	PROPN
ecletica-408	66	29	.	.	PUNCT
ecletica-408	67	1	,	,	PUNCT
ecletica-408	67	2	são	são	PROPN
ecletica-408	67	3	paulo	paulo	PROPN
ecletica-408	67	4	,	,	PUNCT
ecletica-408	67	5	31(1	31(1	NUM
ecletica-408	67	6	):	):	PUNCT
ecletica-408	67	7	53	53	NUM
ecletica-408	67	8	-	-	SYM
ecletica-408	67	9	62	62	NUM
ecletica-408	67	10	,	,	PUNCT
ecletica-408	67	11	2006	2006	NUM
ecletica-408	67	12	table	table	NOUN
ecletica-408	67	13	4	4	NUM
ecletica-408	67	14	.	.	PUNCT
ecletica-408	67	15	thermodynamic	thermodynamic	ADJ
ecletica-408	67	16	properties	property	NOUN
ecletica-408	67	17	of	of	ADP
ecletica-408	67	18	isomers	isomer	NOUN
ecletica-408	67	19	1	1	NUM
ecletica-408	67	20	-	-	SYM
ecletica-408	67	21	4	4	NUM
ecletica-408	67	22	at	at	ADP
ecletica-408	67	23	different	different	ADJ
ecletica-408	67	24	temperatures	temperature	NOUN
ecletica-408	67	25	.	.	PUNCT
ecletica-408	68	1	property	property	NOUN
ecletica-408	68	2	fitted	fit	VERB
ecletica-408	68	3	thermodynamic	thermodynamic	ADJ
ecletica-408	68	4	equation	equation	NOUN
ecletica-408	68	5	(	(	PUNCT
ecletica-408	68	6	t/1000	t/1000	PROPN
ecletica-408	68	7	=	=	SYM
ecletica-408	68	8	t	t	PROPN
ecletica-408	68	9	)	)	PUNCT
ecletica-408	68	10	100k	100k	NUM
ecletica-408	68	11	298.15k	298.15k	NUM
ecletica-408	68	12	1000k	1000k	NOUN
ecletica-408	68	13	s	s	PART
ecletica-408	68	14	(	(	PUNCT
ecletica-408	68	15	j	j	PROPN
ecletica-408	68	16	/	/	SYM
ecletica-408	68	17	mol*k	mol*k	NOUN
ecletica-408	68	18	)	)	PUNCT
ecletica-408	68	19	c	c	NOUN
ecletica-408	68	20	-19.27684*ln(t	-19.27684*ln(t	PROPN
ecletica-408	68	21	)	)	PUNCT
ecletica-408	69	1	+	+	CCONJ
ecletica-408	70	1	1046.38976*t	1046.38976*t	NUM
ecletica-408	70	2	-308.15331*t2/2	-308.15331*t2/2	VERB
ecletica-408	70	3	-72.17832*t3/3	-72.17832*t3/3	PROPN
ecletica-408	70	4	+	+	NOUN
ecletica-408	70	5	0.60117/(2*t2	0.60117/(2*t2	NOUN
ecletica-408	70	6	)	)	PUNCT
ecletica-408	71	1	+	+	NUM
ecletica-408	71	2	233.31191	233.31191	NUM
ecletica-408	71	3	cp	cp	INTJ
ecletica-408	71	4	(	(	PUNCT
ecletica-408	71	5	kj	kj	PROPN
ecletica-408	71	6	/	/	SYM
ecletica-408	71	7	mol*k)d	mol*k)d	PROPN
ecletica-408	71	8	279.67304	279.67304	NUM
ecletica-408	71	9	+	+	ADJ
ecletica-408	71	10	942.65658*t	942.65658*t	NOUN
ecletica-408	71	11	-63.49214*t2	-63.49214*t2	NOUN
ecletica-408	71	12	-	-	PUNCT
ecletica-408	71	13	57.42896*t3	57.42896*t3	PROPN
ecletica-408	71	14	-0.22514*t-2	-0.22514*t-2	PRON
ecletica-408	71	15	1a	1a	PROPN
ecletica-408	71	16	h	h	PROPN
ecletica-408	71	17	°	°	NOUN
ecletica-408	71	18	h	h	NOUN
ecletica-408	71	19	°	°	ADP
ecletica-408	71	20	298.15	298.15	NUM
ecletica-408	71	21	e	e	X
ecletica-408	71	22	(	(	PUNCT
ecletica-408	71	23	kj	kj	PROPN
ecletica-408	71	24	/	/	SYM
ecletica-408	71	25	mol)e	mol)e	PROPN
ecletica-408	71	26	1.67269*t	1.67269*t	NUM
ecletica-408	71	27	+	+	CCONJ
ecletica-408	71	28	959.98678*t2/2	959.98678*t2/2	PROPN
ecletica-408	71	29	-181.65772*t3/3	-181.65772*t3/3	PROPN
ecletica-408	71	30	-131.70779*t4/4	-131.70779*t4/4	PUNCT
ecletica-408	71	31	+	+	NOUN
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ecletica-408	71	33	/	/	SYM
ecletica-408	71	34	t	t	NOUN
ecletica-408	71	35	s	s	PART
ecletica-408	71	36	(	(	PUNCT
ecletica-408	71	37	j	j	PROPN
ecletica-408	71	38	/	/	SYM
ecletica-408	71	39	mol*k	mol*k	PROPN
ecletica-408	71	40	)	)	PUNCT
ecletica-408	71	41	-18.01857*ln(t	-18.01857*ln(t	NOUN
ecletica-408	71	42	)	)	PUNCT
ecletica-408	72	1	+	+	CCONJ
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ecletica-408	72	4	70.85667*t3/3	70.85667*t3/3	NUM
ecletica-408	72	5	+	+	NOUN
ecletica-408	72	6	0.58322/(2*t2	0.58322/(2*t2	NUM
ecletica-408	72	7	)	)	PUNCT
ecletica-408	72	8	+	+	CCONJ
ecletica-408	72	9	238.11687	238.11687	NUM
ecletica-408	72	10	353.26	353.26	NUM
ecletica-408	72	11	553.67	553.67	NUM
ecletica-408	72	12	1103.98	1103.98	NUM
ecletica-408	72	13	cp	cp	INTJ
ecletica-408	72	14	(	(	PUNCT
ecletica-408	72	15	kj	kj	PROPN
ecletica-408	72	16	/	/	SYM
ecletica-408	72	17	mol*k	mol*k	NOUN
ecletica-408	72	18	)	)	PUNCT
ecletica-408	72	19	281.45185	281.45185	NUM
ecletica-408	72	20	+	+	PROPN
ecletica-408	72	21	946.76815*t	946.76815*t	PROPN
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ecletica-408	72	23	-	-	PUNCT
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ecletica-408	72	27	268.66	268.66	NUM
ecletica-408	72	28	653.64	653.64	NUM
ecletica-408	72	29	2a	2a	NUM
ecletica-408	72	30	h	h	NOUN
ecletica-408	72	31	°	°	NOUN
ecletica-408	72	32	h	h	NOUN
ecletica-408	72	33	°	°	ADP
ecletica-408	72	34	298.15	298.15	NUM
ecletica-408	72	35	(	(	PUNCT
ecletica-408	72	36	kj	kj	PROPN
ecletica-408	72	37	/	/	SYM
ecletica-408	72	38	mol	mol	PROPN
ecletica-408	72	39	)	)	PUNCT
ecletica-408	72	40	1.66451*t	1.66451*t	PROPN
ecletica-408	73	1	+	+	NUM
ecletica-408	73	2	963.73597*t2/2	963.73597*t2/2	NUM
ecletica-408	73	3	-192.11685*t3/3	-192.11685*t3/3	PUNCT
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ecletica-408	73	5	+	+	NOUN
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ecletica-408	73	7	/	/	SYM
ecletica-408	73	8	t	t	PROPN
ecletica-408	73	9	7.8	7.8	NUM
ecletica-408	73	10	46.65	46.65	NUM
ecletica-408	73	11	393.38	393.38	NUM
ecletica-408	73	12	s	s	X
ecletica-408	73	13	(	(	PUNCT
ecletica-408	73	14	j	j	PROPN
ecletica-408	73	15	/	/	SYM
ecletica-408	73	16	mol*k	mol*k	PROPN
ecletica-408	73	17	)	)	PUNCT
ecletica-408	73	18	4.12198*ln(t	4.12198*ln(t	NUM
ecletica-408	73	19	)	)	PUNCT
ecletica-408	73	20	-42.55898*t	-42.55898*t	PROPN
ecletica-408	74	1	+1132.49684*t2/2	+1132.49684*t2/2	PROPN
ecletica-408	74	2	-444.20905*t3/3	-444.20905*t3/3	PROPN
ecletica-408	74	3	+	+	NOUN
ecletica-408	74	4	0.0491/(2*t2	0.0491/(2*t2	NUM
ecletica-408	74	5	)	)	PUNCT
ecletica-408	75	1	+	+	CCONJ
ecletica-408	76	1	18.60524	18.60524	NUM
ecletica-408	77	1	354.61	354.61	NUM
ecletica-408	77	2	557.18	557.18	NUM
ecletica-408	77	3	1108.23	1108.23	NUM
ecletica-408	77	4	cp	cp	INTJ
ecletica-408	77	5	(	(	PUNCT
ecletica-408	77	6	kj	kj	PROPN
ecletica-408	77	7	/	/	SYM
ecletica-408	77	8	mol*k	mol*k	PROPN
ecletica-408	77	9	)	)	PUNCT
ecletica-408	77	10	8.6918	8.6918	NUM
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ecletica-408	77	12	-	-	SYM
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ecletica-408	77	14	-0.04068*t-2	-0.04068*t-2	NUM
ecletica-408	77	15	126.47	126.47	NUM
ecletica-408	77	16	269.62	269.62	NUM
ecletica-408	77	17	654.04	654.04	NUM
ecletica-408	77	18	3a	3a	NUM
ecletica-408	77	19	h	h	NOUN
ecletica-408	77	20	°	°	PROPN
ecletica-408	77	21	h	h	NOUN
ecletica-408	77	22	°	°	ADP
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ecletica-408	77	24	(	(	PUNCT
ecletica-408	77	25	kj	kj	PROPN
ecletica-408	77	26	/	/	SYM
ecletica-408	77	27	mol	mol	PROPN
ecletica-408	77	28	)	)	PUNCT
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ecletica-408	77	33	+	+	NOUN
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ecletica-408	77	36	t	t	PROPN
ecletica-408	77	37	7.92	7.92	NUM
ecletica-408	77	38	47.13	47.13	NUM
ecletica-408	77	39	394.25	394.25	NUM
ecletica-408	77	40	s	s	PART
ecletica-408	77	41	(	(	PUNCT
ecletica-408	77	42	j	j	PROPN
ecletica-408	77	43	/	/	SYM
ecletica-408	77	44	mol*k	mol*k	PROPN
ecletica-408	77	45	)	)	PUNCT
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ecletica-408	77	47	*	*	PUNCT
ecletica-408	77	48	ln(t	ln(t	NUM
ecletica-408	77	49	)	)	PUNCT
ecletica-408	77	50	1055.99732	1055.99732	NUM
ecletica-408	77	51	*	*	PUNCT
ecletica-408	77	52	t	t	X
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ecletica-408	77	54	*	*	PUNCT
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ecletica-408	78	3	*	*	PUNCT
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ecletica-408	78	5	+	+	ADJ
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ecletica-408	78	7	/(2*t2	/(2*t2	PUNCT
ecletica-408	78	8	)	)	PUNCT
ecletica-408	79	1	+	+	CCONJ
ecletica-408	80	1	237.73775	237.73775	NUM
ecletica-408	80	2	cp	cp	INTJ
ecletica-408	80	3	(	(	PUNCT
ecletica-408	80	4	kj	kj	PROPN
ecletica-408	80	5	/	/	SYM
ecletica-408	80	6	mol*k	mol*k	NOUN
ecletica-408	80	7	)	)	PUNCT
ecletica-408	80	8	282.85511	282.85511	NUM
ecletica-408	80	9	-955.04707	-955.04707	PROPN
ecletica-408	80	10	*	*	PUNCT
ecletica-408	80	11	t-73.0603	t-73.0603	PROPN
ecletica-408	80	12	*	*	PUNCT
ecletica-408	80	13	t2	t2	PROPN
ecletica-408	80	14	-	-	PUNCT
ecletica-408	80	15	54.61964	54.61964	NUM
ecletica-408	80	16	*	*	PUNCT
ecletica-408	80	17	t3	t3	PROPN
ecletica-408	80	18	3b	3b	PROPN
ecletica-408	80	19	h	h	NOUN
ecletica-408	80	20	°	°	NOUN
ecletica-408	80	21	h	h	NOUN
ecletica-408	80	22	°	°	ADP
ecletica-408	80	23	298.15	298.15	NUM
ecletica-408	80	24	(	(	PUNCT
ecletica-408	80	25	kj	kj	PROPN
ecletica-408	80	26	/	/	SYM
ecletica-408	80	27	mol	mol	PROPN
ecletica-408	80	28	)	)	PUNCT
ecletica-408	80	29	1.75634	1.75634	NUM
ecletica-408	80	30	*	*	PUNCT
ecletica-408	80	31	t	t	PROPN
ecletica-408	81	1	+972.25178	+972.25178	NOUN
ecletica-408	81	2	*	*	PUNCT
ecletica-408	81	3	t2/2	t2/2	VERB
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ecletica-408	81	5	*	*	PUNCT
ecletica-408	81	6	t3/3	t3/3	NOUN
ecletica-408	81	7	-123.49363	-123.49363	PROPN
ecletica-408	81	8	*	*	PUNCT
ecletica-408	81	9	t4/4	t4/4	PROPN
ecletica-408	81	10	+	+	PROPN
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ecletica-408	81	12	/t	/t	SYM
ecletica-408	81	13	7.91	7.91	NUM
ecletica-408	81	14	47.24	47.24	NUM
ecletica-408	81	15	395.58	395.58	NUM
ecletica-408	81	16	s	s	PART
ecletica-408	81	17	(	(	PUNCT
ecletica-408	81	18	j	j	PROPN
ecletica-408	81	19	/	/	SYM
ecletica-408	81	20	mol*k	mol*k	PROPN
ecletica-408	81	21	)	)	PUNCT
ecletica-408	81	22	4.87376*ln(t	4.87376*ln(t	NUM
ecletica-408	81	23	)	)	PUNCT
ecletica-408	81	24	-45.73716*t	-45.73716*t	PROPN
ecletica-408	82	1	+1135.1577*t2/2	+1135.1577*t2/2	VERB
ecletica-408	82	2	444.56315*t3/3	444.56315*t3/3	PROPN
ecletica-408	82	3	+	+	NOUN
ecletica-408	82	4	0.04159/(2*t2	0.04159/(2*t2	NOUN
ecletica-408	82	5	)	)	PUNCT
ecletica-408	83	1	+	+	CCONJ
ecletica-408	84	1	20.16502	20.16502	NUM
ecletica-408	84	2	353.17	353.17	NUM
ecletica-408	84	3	555.38	555.38	NUM
ecletica-408	84	4	1105.97	1105.97	NUM
ecletica-408	84	5	cp	cp	INTJ
ecletica-408	84	6	(	(	PUNCT
ecletica-408	84	7	kj	kj	PROPN
ecletica-408	84	8	/	/	SYM
ecletica-408	84	9	mol*k	mol*k	NOUN
ecletica-408	84	10	)	)	PUNCT
ecletica-408	84	11	8.44355	8.44355	NUM
ecletica-408	84	12	-	-	PUNCT
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ecletica-408	84	18	269.47	269.47	NUM
ecletica-408	84	19	653.85	653.85	NUM
ecletica-408	84	20	4a	4a	NUM
ecletica-408	84	21	h	h	NOUN
ecletica-408	84	22	°	°	NOUN
ecletica-408	84	23	h	h	NOUN
ecletica-408	84	24	°	°	ADP
ecletica-408	84	25	298.15	298.15	NUM
ecletica-408	84	26	(	(	PUNCT
ecletica-408	84	27	kj	kj	PROPN
ecletica-408	84	28	/	/	SYM
ecletica-408	84	29	mol	mol	PROPN
ecletica-408	84	30	)	)	PUNCT
ecletica-408	84	31	1.98603*t	1.98603*t	PROPN
ecletica-408	85	1	+	+	CCONJ
ecletica-408	85	2	965.55544*t2/2	965.55544*t2/2	VERB
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ecletica-408	85	5	+	+	NOUN
ecletica-408	85	6	0.44389	0.44389	NUM
ecletica-408	85	7	/	/	SYM
ecletica-408	85	8	t	t	PROPN
ecletica-408	85	9	7.82	7.82	NUM
ecletica-408	85	10	46.99	46.99	NUM
ecletica-408	85	11	393.85	393.85	NUM
ecletica-408	85	12	4b	4b	X
ecletica-408	85	13	s	s	X
ecletica-408	85	14	(	(	PUNCT
ecletica-408	85	15	j	j	PROPN
ecletica-408	85	16	/	/	SYM
ecletica-408	85	17	mol*k	mol*k	PROPN
ecletica-408	85	18	)	)	PUNCT
ecletica-408	85	19	-15.1279649*ln(t	-15.1279649*ln(t	NOUN
ecletica-408	85	20	)	)	PUNCT
ecletica-408	86	1	+	+	CCONJ
ecletica-408	87	1	1038.10267*t	1038.10267*t	NUM
ecletica-408	87	2	297.015371*t2/2	297.015371*t2/2	NUM
ecletica-408	88	1	77.7776121*t3/3	77.7776121*t3/3	NOUN
ecletica-408	88	2	+	+	NOUN
ecletica-408	88	3	0.578806606/(2*t2	0.578806606/(2*t2	NOUN
ecletica-408	88	4	)	)	PUNCT
ecletica-408	89	1	+	+	CCONJ
ecletica-408	89	2	243.541614	243.541614	NUM
ecletica-408	89	3	cp	cp	INTJ
ecletica-408	89	4	(	(	PUNCT
ecletica-408	89	5	kj	kj	PROPN
ecletica-408	89	6	/	/	SYM
ecletica-408	89	7	mol*k	mol*k	NOUN
ecletica-408	89	8	)	)	PUNCT
ecletica-408	89	9	279.92463	279.92463	NUM
ecletica-408	89	10	+	+	ADP
ecletica-408	89	11	956.69556*t	956.69556*t	PROPN
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ecletica-408	89	13	-	-	PUNCT
ecletica-408	89	14	52.11341*t3	52.11341*t3	NUM
ecletica-408	89	15	-0.2302*t-2	-0.2302*t-2	ADJ
ecletica-408	89	16	h	h	NOUN
ecletica-408	89	17	°	°	NOUN
ecletica-408	89	18	h	h	NOUN
ecletica-408	89	19	°	°	NOUN
ecletica-408	89	20	298.15	298.15	NUM
ecletica-408	89	21	(	(	PUNCT
ecletica-408	89	22	kj	kj	PROPN
ecletica-408	89	23	/	/	SYM
ecletica-408	89	24	mol	mol	PROPN
ecletica-408	89	25	)	)	PUNCT
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ecletica-408	89	27	+	+	CCONJ
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ecletica-408	89	31	+	+	NOUN
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ecletica-408	89	36	47.05	47.05	NUM
ecletica-408	89	37	395.12	395.12	NUM
ecletica-408	89	38	aat	aat	NUM
ecletica-408	89	39	b3lyp/6	b3lyp/6	NOUN
ecletica-408	89	40	-	-	NOUN
ecletica-408	89	41	311+g	311+g	ADJ
ecletica-408	89	42	*	*	NOUN
ecletica-408	89	43	level	level	NOUN
ecletica-408	89	44	of	of	ADP
ecletica-408	89	45	theory	theory	NOUN
ecletica-408	89	46	bat	bat	NOUN
ecletica-408	89	47	b3lyp/6	b3lyp/6	PROPN
ecletica-408	89	48	-	-	X
ecletica-408	89	49	311++g	311++g	ADJ
ecletica-408	89	50	*	*	NOUN
ecletica-408	89	51	*	*	NOUN
ecletica-408	89	52	level	level	NOUN
ecletica-408	89	53	of	of	ADP
ecletica-408	89	54	theory	theory	NOUN
ecletica-408	89	55	c	c	PROPN
ecletica-408	89	56	entropy	entropy	PROPN
ecletica-408	89	57	d	d	X
ecletica-408	89	58	heat	heat	NOUN
ecletica-408	89	59	capacity	capacity	NOUN
ecletica-408	89	60	at	at	ADP
ecletica-408	89	61	constant	constant	ADJ
ecletica-408	89	62	pressure	pressure	NOUN
ecletica-408	89	63	e	e	NOUN
ecletica-408	89	64	enthalpy	enthalpy	NOUN
ecletica-408	89	65	content	content	PROPN
ecletica-408	89	66	clohexyl	clohexyl	PROPN
ecletica-408	89	67	1	1	NUM
ecletica-408	89	68	-	-	PUNCT
ecletica-408	89	69	n’,ní	n’,ní	ADJ
ecletica-408	89	70	-	-	NOUN
ecletica-408	89	71	dimethylcarbamate	dimethylcarbamate	NOUN
ecletica-408	89	72	.	.	PUNCT
ecletica-408	90	1	the	the	DET
ecletica-408	90	2	results	result	NOUN
ecletica-408	90	3	of	of	ADP
ecletica-408	90	4	this	this	DET
ecletica-408	90	5	study	study	NOUN
ecletica-408	90	6	reveals	reveal	VERB
ecletica-408	90	7	that	that	SCONJ
ecletica-408	90	8	both	both	DET
ecletica-408	90	9	new	new	ADJ
ecletica-408	90	10	isomers	isomer	NOUN
ecletica-408	90	11	are	be	AUX
ecletica-408	90	12	stable	stable	ADJ
ecletica-408	90	13	and	and	CCONJ
ecletica-408	90	14	can	can	AUX
ecletica-408	90	15	be	be	AUX
ecletica-408	90	16	detected	detect	VERB
ecletica-408	90	17	using	use	VERB
ecletica-408	90	18	standard	standard	ADJ
ecletica-408	90	19	spectroscopic	spectroscopic	ADJ
ecletica-408	90	20	approaches	approach	NOUN
ecletica-408	90	21	.	.	PUNCT
ecletica-408	91	1	the	the	DET
ecletica-408	91	2	results	result	NOUN
ecletica-408	91	3	aloww	aloww	VERB
ecletica-408	91	4	us	we	PRON
ecletica-408	91	5	to	to	PART
ecletica-408	91	6	predict	predict	VERB
ecletica-408	91	7	that	that	SCONJ
ecletica-408	91	8	the	the	DET
ecletica-408	91	9	termodynamic	termodynamic	ADJ
ecletica-408	91	10	properties	property	NOUN
ecletica-408	91	11	of	of	ADP
ecletica-408	91	12	all	all	DET
ecletica-408	91	13	four	four	NUM
ecletica-408	91	14	isomers	isomer	NOUN
ecletica-408	91	15	should	should	AUX
ecletica-408	91	16	be	be	AUX
ecletica-408	91	17	similar	similar	ADJ
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ecletica-408	91	19	well	well	ADV
ecletica-408	91	20	as	as	ADP
ecletica-408	91	21	the	the	DET
ecletica-408	91	22	new	new	ADJ
ecletica-408	91	23	isomers	isomer	NOUN
ecletica-408	91	24	may	may	AUX
ecletica-408	91	25	be	be	AUX
ecletica-408	91	26	more	more	ADV
ecletica-408	91	27	stable	stable	ADJ
ecletica-408	91	28	than	than	ADP
ecletica-408	91	29	the	the	DET
ecletica-408	91	30	known	know	VERB
ecletica-408	91	31	ones	one	NOUN
ecletica-408	91	32	.	.	PUNCT
ecletica-408	92	1	aknowledgements	aknowledgement	NOUN
ecletica-408	92	2	we	we	PRON
ecletica-408	92	3	would	would	AUX
ecletica-408	92	4	like	like	VERB
ecletica-408	92	5	to	to	PART
ecletica-408	92	6	acknowledge	acknowledge	VERB
ecletica-408	92	7	the	the	DET
ecletica-408	92	8	university	university	PROPN
ecletica-408	92	9	of	of	ADP
ecletica-408	92	10	arizona	arizona	PROPN
ecletica-408	92	11	for	for	ADP
ecletica-408	92	12	supercomputer	supercomputer	NOUN
ecletica-408	92	13	resources	resource	NOUN
ecletica-408	92	14	as	as	ADV
ecletica-408	92	15	well	well	ADV
ecletica-408	92	16	as	as	ADP
ecletica-408	92	17	to	to	PART
ecletica-408	92	18	cite	cite	VERB
ecletica-408	92	19	that	that	DET
ecletica-408	92	20	figure	figure	NOUN
ecletica-408	92	21	1	1	NUM
ecletica-408	92	22	was	be	AUX
ecletica-408	92	23	created	create	VERB
ecletica-408	92	24	using	use	VERB
ecletica-408	92	25	xyzviewer	xyzviewer	PROPN
ecletica-408	92	26	software	software	NOUN
ecletica-408	92	27	provided	provide	VERB
ecletica-408	92	28	by	by	ADP
ecletica-408	92	29	sven	sven	X
ecletica-408	92	30	de	de	ADP
ecletica-408	92	31	marothy	marothy	ADJ
ecletica-408	92	32	.	.	PUNCT
ecletica-408	93	1	recebido	recebido	VERB
ecletica-408	93	2	em	em	PRON
ecletica-408	93	3	:	:	PUNCT
ecletica-408	93	4	16/12/2005	16/12/2005	NUM
ecletica-408	93	5	aceito	aceito	X
ecletica-408	93	6	em	em	PRON
ecletica-408	93	7	:	:	PUNCT
ecletica-408	93	8	02/03/2006	02/03/2006	NUM
ecletica-408	93	9	59ecl	59ecl	NOUN
ecletica-408	93	10	.	.	PUNCT
ecletica-408	94	1	quím	quím	PROPN
ecletica-408	94	2	.	.	PUNCT
ecletica-408	95	1	,	,	PUNCT
ecletica-408	95	2	são	são	PROPN
ecletica-408	95	3	paulo	paulo	PROPN
ecletica-408	95	4	,	,	PUNCT
ecletica-408	95	5	31(1	31(1	NUM
ecletica-408	95	6	):	):	PUNCT
ecletica-408	95	7	53	53	NUM
ecletica-408	95	8	-	-	SYM
ecletica-408	95	9	62	62	NUM
ecletica-408	95	10	,	,	PUNCT
ecletica-408	95	11	2006	2006	NUM
ecletica-408	95	12	a.	a.	PROPN
ecletica-408	95	13	f.	f.	PROPN
ecletica-408	95	14	jalbout	jalbout	PROPN
ecletica-408	95	15	,	,	PUNCT
ecletica-408	95	16	xin	xin	PROPN
ecletica-408	95	17	-	-	PUNCT
ecletica-408	95	18	hua	hua	PROPN
ecletica-408	95	19	li	li	PROPN
ecletica-408	95	20	,	,	PUNCT
ecletica-408	95	21	b.	b.	PROPN
ecletica-408	95	22	trzaskowski	trzaskowski	PROPN
ecletica-408	95	23	and	and	CCONJ
ecletica-408	95	24	h.	h.	PROPN
ecletica-408	95	25	raissi	raissi	PROPN
ecletica-408	95	26	.	.	PUNCT
ecletica-408	96	1	estudo	estudo	PROPN
ecletica-408	96	2	teórico	teórico	PROPN
ecletica-408	96	3	e	e	PROPN
ecletica-408	96	4	experimental	experimental	ADJ
ecletica-408	96	5	dos	do	NOUN
ecletica-408	96	6	espectros	espectro	NOUN
ecletica-408	96	7	no	no	INTJ
ecletica-408	96	8	ir	ir	INTJ
ecletica-408	96	9	e	e	PROPN
ecletica-408	96	10	da	da	PROPN
ecletica-408	96	11	termoquímica	termoquímica	PROPN
ecletica-408	96	12	de	de	X
ecletica-408	96	13	quatro	quatro	X
ecletica-408	96	14	isômeros	isômero	NOUN
ecletica-408	96	15	do	do	VERB
ecletica-408	96	16	2	2	NUM
ecletica-408	96	17	-	-	PUNCT
ecletica-408	96	18	n	n	CCONJ
ecletica-408	96	19	,	,	PUNCT
ecletica-408	96	20	n	n	CCONJ
ecletica-408	96	21	-	-	PUNCT
ecletica-408	96	22	dimetilaminacicloexil	dimetilaminacicloexil	NOUN
ecletica-408	96	23	1	1	NUM
ecletica-408	96	24	-	-	PUNCT
ecletica-408	96	25	n’,ní	n’,ní	ADJ
ecletica-408	96	26	-	-	NOUN
ecletica-408	96	27	dimetilcarbamato	dimetilcarbamato	NOUN
ecletica-408	96	28	.	.	PUNCT
ecletica-408	97	1	resumo	resumo	ADJ
ecletica-408	97	2	:	:	PUNCT
ecletica-408	97	3	foi	foi	NUM
ecletica-408	97	4	realizado	realizado	X
ecletica-408	97	5	um	um	INTJ
ecletica-408	97	6	estudo	estudo	X
ecletica-408	97	7	combinado	combinado	NOUN
ecletica-408	97	8	,	,	PUNCT
ecletica-408	97	9	experimental	experimental	ADJ
ecletica-408	97	10	e	e	PROPN
ecletica-408	97	11	teórico	teórico	PROPN
ecletica-408	97	12	utilizando	utilizando	VERB
ecletica-408	97	13	a	a	DET
ecletica-408	97	14	teoria	teoria	PROPN
ecletica-408	97	15	da	da	PROPN
ecletica-408	97	16	função	função	PROPN
ecletica-408	97	17	de	de	PROPN
ecletica-408	97	18	densidade	densidade	PROPN
ecletica-408	97	19	(	(	PUNCT
ecletica-408	97	20	dft	dft	NOUN
ecletica-408	97	21	)	)	PUNCT
ecletica-408	97	22	b3lyp/6	b3lyp/6	NOUN
ecletica-408	97	23	-	-	NOUN
ecletica-408	97	24	311+g	311+g	ADJ
ecletica-408	97	25	*	*	PUNCT
ecletica-408	97	26	para	para	PROPN
ecletica-408	97	27	os	os	PROPN
ecletica-408	97	28	espectros	espectros	PROPN
ecletica-408	97	29	de	de	PROPN
ecletica-408	97	30	ir	ir	PROPN
ecletica-408	97	31	de	de	X
ecletica-408	97	32	quatro	quatro	X
ecletica-408	97	33	isômeros	isômeros	PROPN
ecletica-408	97	34	estáveis	estáveis	PROPN
ecletica-408	97	35	do	do	VERB
ecletica-408	97	36	2	2	NUM
ecletica-408	97	37	-	-	PUNCT
ecletica-408	97	38	n	n	CCONJ
ecletica-408	97	39	,	,	PUNCT
ecletica-408	97	40	n	n	CCONJ
ecletica-408	97	41	-	-	PUNCT
ecletica-408	97	42	dimetilaminaciclohexil	dimetilaminaciclohexil	ADJ
ecletica-408	97	43	1	1	NUM
ecletica-408	97	44	-	-	PUNCT
ecletica-408	97	45	n’,ní	n’,ní	ADJ
ecletica-408	97	46	-	-	NOUN
ecletica-408	97	47	dimetilcarbamato	dimetilcarbamato	NOUN
ecletica-408	97	48	.	.	PUNCT
ecletica-408	98	1	os	os	PROPN
ecletica-408	98	2	cálculos	cálculos	PROPN
ecletica-408	98	3	teóricos	teóricos	PROPN
ecletica-408	98	4	mostraram	mostraram	PROPN
ecletica-408	98	5	a	a	DET
ecletica-408	98	6	existência	existência	PROPN
ecletica-408	98	7	de	de	X
ecletica-408	98	8	dois	dois	PROPN
ecletica-408	98	9	novos	novos	PROPN
ecletica-408	98	10	isômeros	isômeros	PROPN
ecletica-408	98	11	deste	deste	PROPN
ecletica-408	98	12	composto	composto	PROPN
ecletica-408	98	13	,	,	PUNCT
ecletica-408	98	14	que	que	PROPN
ecletica-408	98	15	parecem	parecem	PROPN
ecletica-408	98	16	ser	ser	PROPN
ecletica-408	98	17	mais	mais	PROPN
ecletica-408	98	18	estáveis	estáveis	PROPN
ecletica-408	98	19	que	que	PROPN
ecletica-408	98	20	os	os	PROPN
ecletica-408	98	21	isômeros	isômeros	PROPN
ecletica-408	98	22	conhecidos	conhecido	NOUN
ecletica-408	98	23	.	.	PUNCT
ecletica-408	99	1	além	além	NOUN
ecletica-408	99	2	disso	disso	X
ecletica-408	99	3	,	,	PUNCT
ecletica-408	99	4	os	os	PROPN
ecletica-408	99	5	valores	valores	PROPN
ecletica-408	99	6	da	da	PROPN
ecletica-408	99	7	entropia	entropia	PROPN
ecletica-408	99	8	,	,	PUNCT
ecletica-408	99	9	capacidade	capacidade	VERB
ecletica-408	99	10	calorífica	calorífica	PROPN
ecletica-408	99	11	e	e	PROPN
ecletica-408	99	12	entalpia	entalpia	PROPN
ecletica-408	99	13	dos	do	VERB
ecletica-408	99	14	isômeros	isômero	NOUN
ecletica-408	99	15	estáveis	estáveis	PROPN
ecletica-408	99	16	foram	foram	PROPN
ecletica-408	99	17	calculados	calculados	PROPN
ecletica-408	99	18	a	a	DET
ecletica-408	99	19	partir	partir	X
ecletica-408	99	20	do	do	AUX
ecletica-408	99	21	ajuste	ajuste	VERB
ecletica-408	99	22	dos	do	VERB
ecletica-408	99	23	dados	dado	NOUN
ecletica-408	99	24	à	à	X
ecletica-408	99	25	equação	equação	PROPN
ecletica-408	99	26	padrão	padrão	PROPN
ecletica-408	99	27	de	de	X
ecletica-408	99	28	shomate	shomate	NOUN
ecletica-408	99	29	,	,	PUNCT
ecletica-408	99	30	e	e	PROPN
ecletica-408	99	31	foram	foram	PROPN
ecletica-408	99	32	obtidos	obtido	NOUN
ecletica-408	99	33	os	os	PROPN
ecletica-408	99	34	espectros	espectros	PROPN
ecletica-408	99	35	de	de	PROPN
ecletica-408	99	36	ir	ir	PROPN
ecletica-408	99	37	para	para	PROPN
ecletica-408	99	38	os	os	PROPN
ecletica-408	99	39	dois	dois	PROPN
ecletica-408	99	40	novos	novos	PROPN
ecletica-408	99	41	isômeros	isômeros	PROPN
ecletica-408	99	42	.	.	PUNCT
ecletica-408	100	1	palavras	palavra	NOUN
ecletica-408	100	2	-	-	PUNCT
ecletica-408	100	3	chave	chave	NOUN
ecletica-408	100	4	:	:	PUNCT
ecletica-408	100	5	teoria	teoria	PROPN
ecletica-408	100	6	da	da	PROPN
ecletica-408	100	7	função	função	PROPN
ecletica-408	100	8	de	de	PROPN
ecletica-408	100	9	densidade	densidade	PROPN
ecletica-408	100	10	(	(	PUNCT
ecletica-408	100	11	dft	dft	PROPN
ecletica-408	100	12	)	)	PUNCT
ecletica-408	100	13	;	;	PUNCT
ecletica-408	100	14	b3lyp	b3lyp	NUM
ecletica-408	100	15	;	;	PUNCT
ecletica-408	100	16	c11h22n2o2	c11h22n2o2	NOUN
ecletica-408	100	17	;	;	PUNCT
ecletica-408	100	18	espectros	espectro	NOUN
ecletica-408	100	19	no	no	DET
ecletica-408	100	20	ir	ir	NOUN
ecletica-408	100	21	;	;	PUNCT
ecletica-408	100	22	propriedades	propriedade	NOUN
ecletica-408	100	23	termoquímicas	termoquímica	NOUN
ecletica-408	100	24	.	.	PUNCT
ecletica-408	101	1	references	reference	NOUN
ecletica-408	101	2	[	[	X
ecletica-408	101	3	1	1	NUM
ecletica-408	101	4	]	]	X
ecletica-408	101	5	k.p	k.p	PROPN
ecletica-408	101	6	.	.	PROPN
ecletica-408	101	7	shaw	shaw	PROPN
ecletica-408	101	8	,	,	PUNCT
ecletica-408	101	9	y.	y.	PROPN
ecletica-408	101	10	aracava	aracava	PROPN
ecletica-408	101	11	,	,	PUNCT
ecletica-408	101	12	a.	a.	NOUN
ecletica-408	101	13	akaike	akaike	PROPN
ecletica-408	101	14	,	,	PUNCT
ecletica-408	101	15	j.w	j.w	PROPN
ecletica-408	101	16	.	.	PROPN
ecletica-408	101	17	daly	daly	PROPN
ecletica-408	101	18	,	,	PUNCT
ecletica-408	101	19	d.l	d.l	PROPN
ecletica-408	101	20	.	.	PROPN
ecletica-408	101	21	rickett	rickett	PROPN
ecletica-408	101	22	,	,	PUNCT
ecletica-408	101	23	e.x	e.x	PROPN
ecletica-408	101	24	.	.	PROPN
ecletica-408	101	25	albuquerque	albuquerque	PROPN
ecletica-408	101	26	mol	mol	PROPN
ecletica-408	101	27	.	.	PUNCT
ecletica-408	102	1	pharmacol	pharmacol	PROPN
ecletica-408	102	2	.	.	PUNCT
ecletica-408	103	1	28	28	NUM
ecletica-408	103	2	(	(	PUNCT
ecletica-408	103	3	1985	1985	NUM
ecletica-408	103	4	)	)	PUNCT
ecletica-408	103	5	,	,	PUNCT
ecletica-408	103	6	527	527	NUM
ecletica-408	103	7	.	.	PUNCT
ecletica-408	104	1	[	[	X
ecletica-408	104	2	2	2	NUM
ecletica-408	104	3	]	]	X
ecletica-408	104	4	m.b	m.b	PROPN
ecletica-408	104	5	.	.	PROPN
ecletica-408	104	6	youdim	youdim	PROPN
ecletica-408	104	7	,	,	PUNCT
ecletica-408	104	8	m.	m.	NOUN
ecletica-408	104	9	weinstock	weinstock	NOUN
ecletica-408	104	10	,	,	PUNCT
ecletica-408	104	11	cell	cell	NOUN
ecletica-408	104	12	.	.	PUNCT
ecletica-408	105	1	mol	mol	PROPN
ecletica-408	105	2	.	.	PUNCT
ecletica-408	105	3	neurobiol	neurobiol	PROPN
ecletica-408	105	4	.	.	PUNCT
ecletica-408	106	1	21	21	NUM
ecletica-408	106	2	(	(	PUNCT
ecletica-408	106	3	2001	2001	NUM
ecletica-408	106	4	)	)	PUNCT
ecletica-408	106	5	,	,	PUNCT
ecletica-408	106	6	555	555	NUM
ecletica-408	106	7	.	.	PUNCT
ecletica-408	107	1	[	[	X
ecletica-408	107	2	3	3	X
ecletica-408	107	3	]	]	X
ecletica-408	107	4	w.h	w.h	PROPN
ecletica-408	107	5	.	.	PROPN
ecletica-408	107	6	beers	beer	NOUN
ecletica-408	107	7	,	,	PUNCT
ecletica-408	107	8	e.	e.	PROPN
ecletica-408	107	9	reich	reich	PROPN
ecletica-408	107	10	,	,	PUNCT
ecletica-408	107	11	nature	nature	NOUN
ecletica-408	107	12	228	228	NUM
ecletica-408	107	13	(	(	PUNCT
ecletica-408	107	14	1970	1970	NUM
ecletica-408	107	15	)	)	PUNCT
ecletica-408	107	16	917	917	NUM
ecletica-408	107	17	.	.	PUNCT
ecletica-408	108	1	[	[	X
ecletica-408	108	2	4	4	NUM
ecletica-408	108	3	]	]	X
ecletica-408	108	4	w.f	w.f	PROPN
ecletica-408	108	5	.	.	PROPN
ecletica-408	108	6	souza	souza	PROPN
ecletica-408	108	7	,	,	PUNCT
ecletica-408	108	8	n.	n.	PROPN
ecletica-408	108	9	kambe	kambe	PROPN
ecletica-408	108	10	,	,	PUNCT
ecletica-408	108	11	n.	n.	PROPN
ecletica-408	108	12	sonoda	sonoda	PROPN
ecletica-408	108	13	,	,	PUNCT
ecletica-408	108	14	j.	j.	PROPN
ecletica-408	108	15	phys	phys	PROPN
ecletica-408	108	16	.	.	PUNCT
ecletica-408	109	1	org	org	PROPN
ecletica-408	109	2	.	.	PUNCT
ecletica-408	109	3	chem	chem	PROPN
ecletica-408	109	4	.	.	PUNCT
ecletica-408	110	1	9	9	NUM
ecletica-408	110	2	(	(	PUNCT
ecletica-408	110	3	1996	1996	NUM
ecletica-408	110	4	)	)	PUNCT
ecletica-408	110	5	179	179	NUM
ecletica-408	110	6	.	.	PUNCT
ecletica-408	111	1	[	[	X
ecletica-408	111	2	5	5	X
ecletica-408	111	3	]	]	PUNCT
ecletica-408	111	4	h.	h.	PROPN
ecletica-408	111	5	furukawa	furukawa	PROPN
ecletica-408	111	6	,	,	PUNCT
ecletica-408	111	7	t.	t.	PROPN
ecletica-408	111	8	hamada	hamada	PROPN
ecletica-408	111	9	,	,	PUNCT
ecletica-408	111	10	m.k	m.k	PROPN
ecletica-408	111	11	.	.	PROPN
ecletica-408	111	12	hayashi	hayashi	PROPN
ecletica-408	111	13	,	,	PUNCT
ecletica-408	111	14	t.	t.	PROPN
ecletica-408	111	15	haga	haga	NOUN
ecletica-408	111	16	,	,	PUNCT
ecletica-408	111	17	y.	y.	PROPN
ecletica-408	111	18	muto	muto	PROPN
ecletica-408	111	19	,	,	PUNCT
ecletica-408	111	20	h.	h.	PROPN
ecletica-408	111	21	hirota	hirota	PROPN
ecletica-408	111	22	,	,	PUNCT
ecletica-408	111	23	s.	s.	PROPN
ecletica-408	111	24	yokoyama	yokoyama	PROPN
ecletica-408	111	25	,	,	PUNCT
ecletica-408	111	26	k.	k.	PROPN
ecletica-408	111	27	nagasawa	nagasawa	PROPN
ecletica-408	111	28	,	,	PUNCT
ecletica-408	111	29	m.	m.	PROPN
ecletica-408	111	30	ishiguro	ishiguro	PROPN
ecletica-408	111	31	,	,	PUNCT
ecletica-408	111	32	mol	mol	PROPN
ecletica-408	111	33	.	.	PROPN
ecletica-408	111	34	pharmacol	pharmacol	PROPN
ecletica-408	111	35	.	.	PUNCT
ecletica-408	112	1	62	62	NUM
ecletica-408	112	2	(	(	PUNCT
ecletica-408	112	3	2002	2002	NUM
ecletica-408	112	4	)	)	PUNCT
ecletica-408	113	1	778	778	NUM
ecletica-408	113	2	.	.	PUNCT
ecletica-408	114	1	[	[	X
ecletica-408	114	2	6	6	NUM
ecletica-408	114	3	]	]	X
ecletica-408	114	4	p.r	p.r	PROPN
ecletica-408	114	5	.	.	PROPN
ecletica-408	114	6	oliveira	oliveira	PROPN
ecletica-408	114	7	,	,	PUNCT
ecletica-408	114	8	f.	f.	PROPN
ecletica-408	114	9	wiectzycoski	wiectzycoski	PROPN
ecletica-408	114	10	,	,	PUNCT
ecletica-408	114	11	e.a	e.a	PROPN
ecletica-408	114	12	.	.	PROPN
ecletica-408	114	13	basso	basso	PROPN
ecletica-408	114	14	,	,	PUNCT
ecletica-408	114	15	r.a.c	r.a.c	ADP
ecletica-408	114	16	.	.	PROPN
ecletica-408	114	17	goncalves	goncalve	NOUN
ecletica-408	114	18	,	,	PUNCT
ecletica-408	114	19	r.m	r.m	PROPN
ecletica-408	114	20	.	.	PROPN
ecletica-408	114	21	pontes	pontes	PROPN
ecletica-408	114	22	,	,	PUNCT
ecletica-408	114	23	j.	j.	PROPN
ecletica-408	114	24	mol	mol	PROPN
ecletica-408	114	25	.	.	PROPN
ecletica-408	114	26	struct	struct	NOUN
ecletica-408	114	27	.	.	PUNCT
ecletica-408	115	1	657	657	NUM
ecletica-408	115	2	(	(	PUNCT
ecletica-408	115	3	2003	2003	NUM
ecletica-408	115	4	)	)	PUNCT
ecletica-408	115	5	191	191	NUM
ecletica-408	115	6	.	.	PUNCT
ecletica-408	116	1	[	[	X
ecletica-408	116	2	7	7	X
ecletica-408	116	3	]	]	PUNCT
ecletica-408	116	4	j.	j.	PROPN
ecletica-408	116	5	song	song	PROPN
ecletica-408	116	6	,	,	PUNCT
ecletica-408	116	7	m.s	m.s	PROPN
ecletica-408	116	8	.	.	PROPN
ecletica-408	116	9	gordon	gordon	PROPN
ecletica-408	116	10	,	,	PUNCT
ecletica-408	116	11	c.a	c.a	PROPN
ecletica-408	116	12	.	.	PROPN
ecletica-408	116	13	deakyne	deakyne	PROPN
ecletica-408	116	14	,	,	PUNCT
ecletica-408	116	15	w.	w.	PROPN
ecletica-408	116	16	zheng	zheng	PROPN
ecletica-408	116	17	,	,	PUNCT
ecletica-408	116	18	j.	j.	PROPN
ecletica-408	116	19	phys	phys	PROPN
ecletica-408	116	20	.	.	PUNCT
ecletica-408	116	21	chem	chem	PROPN
ecletica-408	116	22	.	.	PUNCT
ecletica-408	117	1	a	a	DET
ecletica-408	117	2	108	108	NUM
ecletica-408	117	3	(	(	PUNCT
ecletica-408	117	4	2004	2004	NUM
ecletica-408	117	5	)	)	PUNCT
ecletica-408	117	6	11419	11419	NUM
ecletica-408	117	7	.	.	PUNCT
ecletica-408	118	1	[	[	X
ecletica-408	118	2	8	8	NUM
ecletica-408	118	3	]	]	X
ecletica-408	118	4	n.	n.	NOUN
ecletica-408	118	5	tezer	tezer	PROPN
ecletica-408	118	6	,	,	PUNCT
ecletica-408	118	7	j.	j.	PROPN
ecletica-408	118	8	mol	mol	PROPN
ecletica-408	118	9	.	.	PROPN
ecletica-408	118	10	struct	struct	NOUN
ecletica-408	118	11	.	.	PUNCT
ecletica-408	119	1	(	(	PUNCT
ecletica-408	119	2	theochem	theochem	NOUN
ecletica-408	119	3	)	)	PUNCT
ecletica-408	119	4	714	714	NUM
ecletica-408	119	5	(	(	PUNCT
ecletica-408	119	6	2005	2005	NUM
ecletica-408	119	7	)	)	PUNCT
ecletica-408	119	8	133	133	NUM
ecletica-408	119	9	.	.	PUNCT
ecletica-408	120	1	[	[	X
ecletica-408	120	2	9	9	NUM
ecletica-408	120	3	]	]	X
ecletica-408	120	4	w.e	w.e	PROPN
ecletica-408	120	5	.	.	PROPN
ecletica-408	120	6	stewart	stewart	PROPN
ecletica-408	120	7	,	,	PUNCT
ecletica-408	120	8	t.h	t.h	PROPN
ecletica-408	120	9	.	.	PROPN
ecletica-408	120	10	siddal	siddal	PROPN
ecletica-408	120	11	iii	iii	PROPN
ecletica-408	120	12	,	,	PUNCT
ecletica-408	120	13	chem	chem	NOUN
ecletica-408	120	14	.	.	PUNCT
ecletica-408	121	1	rev	rev	PROPN
ecletica-408	121	2	.	.	PROPN
ecletica-408	121	3	70	70	NUM
ecletica-408	121	4	(	(	PUNCT
ecletica-408	121	5	1970	1970	NUM
ecletica-408	121	6	)	)	PUNCT
ecletica-408	121	7	517	517	NUM
ecletica-408	121	8	.	.	PUNCT
ecletica-408	122	1	[	[	X
ecletica-408	122	2	10	10	NUM
ecletica-408	122	3	]	]	X
ecletica-408	122	4	k.b	k.b	PROPN
ecletica-408	122	5	.	.	PROPN
ecletica-408	122	6	wiberg	wiberg	PROPN
ecletica-408	122	7	,	,	PUNCT
ecletica-408	122	8	p.r	p.r	PROPN
ecletica-408	122	9	.	.	PROPN
ecletica-408	122	10	rablen	rablen	PROPN
ecletica-408	122	11	,	,	PUNCT
ecletica-408	122	12	d.j	d.j	PROPN
ecletica-408	122	13	.	.	PROPN
ecletica-408	122	14	rush	rush	PROPN
ecletica-408	122	15	,	,	PUNCT
ecletica-408	122	16	t.a	t.a	PROPN
ecletica-408	122	17	.	.	PROPN
ecletica-408	122	18	keith	keith	PROPN
ecletica-408	122	19	,	,	PUNCT
ecletica-408	122	20	j.	j.	PROPN
ecletica-408	122	21	am	am	PROPN
ecletica-408	122	22	.	.	PUNCT
ecletica-408	122	23	chem	chem	NOUN
ecletica-408	122	24	.	.	PUNCT
ecletica-408	123	1	soc	soc	PROPN
ecletica-408	123	2	.	.	PUNCT
ecletica-408	124	1	117	117	NUM
ecletica-408	124	2	(	(	PUNCT
ecletica-408	124	3	1995	1995	NUM
ecletica-408	124	4	)	)	PUNCT
ecletica-408	124	5	4261	4261	NUM
ecletica-408	124	6	.	.	PUNCT
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ecletica-408	125	15	.	.	PUNCT
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ecletica-408	126	2	(	(	PUNCT
ecletica-408	126	3	1999	1999	NUM
ecletica-408	126	4	)	)	PUNCT
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ecletica-408	126	6	.	.	PUNCT
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ecletica-408	127	9	,	,	PUNCT
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ecletica-408	128	2	.	.	PUNCT
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ecletica-408	129	2	(	(	PUNCT
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ecletica-408	129	4	)	)	PUNCT
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ecletica-408	129	6	.	.	PUNCT
ecletica-408	130	1	[	[	X
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ecletica-408	131	1	(	(	PUNCT
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ecletica-408	131	3	)	)	PUNCT
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ecletica-408	131	5	(	(	PUNCT
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ecletica-408	131	7	)	)	PUNCT
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ecletica-408	131	9	.	.	PUNCT
ecletica-408	132	1	[	[	X
ecletica-408	132	2	14	14	NUM
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ecletica-408	132	4	c.y	c.y	PROPN
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ecletica-408	133	1	j.	j.	PROPN
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ecletica-408	133	3	.	.	PUNCT
ecletica-408	134	1	39	39	NUM
ecletica-408	134	2	(	(	PUNCT
ecletica-408	134	3	1986	1986	NUM
ecletica-408	134	4	)	)	PUNCT
ecletica-408	134	5	457	457	NUM
ecletica-408	134	6	.	.	PUNCT
ecletica-408	135	1	[	[	X
ecletica-408	135	2	15	15	NUM
ecletica-408	135	3	]	]	X
ecletica-408	135	4	c.	c.	PROPN
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ecletica-408	135	9	,	,	PUNCT
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ecletica-408	135	12	.	.	PUNCT
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ecletica-408	135	14	.	.	PUNCT
ecletica-408	136	1	63	63	NUM
ecletica-408	136	2	(	(	PUNCT
ecletica-408	136	3	1998	1998	NUM
ecletica-408	136	4	)	)	PUNCT
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ecletica-408	136	6	.	.	PUNCT
ecletica-408	137	1	[	[	X
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ecletica-408	137	3	]	]	X
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ecletica-408	137	12	.	.	PUNCT
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ecletica-408	138	4	)	)	PUNCT
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ecletica-408	140	3	)	)	PUNCT
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ecletica-408	142	2	.	.	PUNCT
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ecletica-408	147	1	[	[	X
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