id	sid	tid	token	lemma	pos
ecletica-424	1	1	introduction	introduction	NOUN
ecletica-424	1	2	carbohydrates	carbohydrate	NOUN
ecletica-424	1	3	represent	represent	VERB
ecletica-424	1	4	a	a	DET
ecletica-424	1	5	very	very	ADV
ecletica-424	1	6	important	important	ADJ
ecletica-424	1	7	class	class	NOUN
ecletica-424	1	8	of	of	ADP
ecletica-424	1	9	compounds	compound	NOUN
ecletica-424	1	10	in	in	ADP
ecletica-424	1	11	biological	biological	ADJ
ecletica-424	1	12	systems	system	NOUN
ecletica-424	1	13	and	and	CCONJ
ecletica-424	1	14	play	play	VERB
ecletica-424	1	15	a	a	DET
ecletica-424	1	16	key	key	ADJ
ecletica-424	1	17	role	role	NOUN
ecletica-424	1	18	in	in	ADP
ecletica-424	1	19	many	many	ADJ
ecletica-424	1	20	processes	process	NOUN
ecletica-424	1	21	important	important	ADJ
ecletica-424	1	22	to	to	ADP
ecletica-424	1	23	life[1	life[1	NOUN
ecletica-424	1	24	-	-	SYM
ecletica-424	1	25	3	3	NUM
ecletica-424	1	26	]	]	PUNCT
ecletica-424	1	27	.	.	PUNCT
ecletica-424	2	1	hydration	hydration	NOUN
ecletica-424	2	2	of	of	ADP
ecletica-424	2	3	carbohydrates	carbohydrate	NOUN
ecletica-424	2	4	is	be	AUX
ecletica-424	2	5	an	an	DET
ecletica-424	2	6	important	important	ADJ
ecletica-424	2	7	point	point	NOUN
ecletica-424	2	8	of	of	ADP
ecletica-424	2	9	research[4	research[4	NUM
ecletica-424	2	10	-	-	SYM
ecletica-424	2	11	5	5	NUM
ecletica-424	2	12	]	]	PUNCT
ecletica-424	2	13	.	.	PUNCT
ecletica-424	3	1	spectroscopic	spectroscopic	ADJ
ecletica-424	3	2	parameters	parameter	NOUN
ecletica-424	3	3	can	can	AUX
ecletica-424	3	4	be	be	AUX
ecletica-424	3	5	well	well	ADV
ecletica-424	3	6	determined	determined	ADJ
ecletica-424	3	7	using	use	VERB
ecletica-424	3	8	molecular	molecular	ADJ
ecletica-424	3	9	modelling	modelling	NOUN
ecletica-424	3	10	calculations	calculation	NOUN
ecletica-424	3	11	.	.	PUNCT
ecletica-424	4	1	molecular	molecular	ADJ
ecletica-424	4	2	mechanics	mechanic	NOUN
ecletica-424	4	3	(	(	PUNCT
ecletica-424	4	4	mm	mm	NOUN
ecletica-424	4	5	)	)	PUNCT
ecletica-424	4	6	can	can	AUX
ecletica-424	4	7	model	model	VERB
ecletica-424	4	8	very	very	ADV
ecletica-424	4	9	large	large	ADJ
ecletica-424	4	10	compounds	compound	NOUN
ecletica-424	4	11	quickly[6	quickly[6	NOUN
ecletica-424	4	12	]	]	PUNCT
ecletica-424	4	13	.	.	PUNCT
ecletica-424	5	1	both	both	PRON
ecletica-424	5	2	quantum	quantum	ADJ
ecletica-424	5	3	mechanics	mechanic	NOUN
ecletica-424	5	4	(	(	PUNCT
ecletica-424	5	5	qm	qm	PROPN
ecletica-424	5	6	)	)	PUNCT
ecletica-424	5	7	and	and	CCONJ
ecletica-424	5	8	(	(	PUNCT
ecletica-424	5	9	mm	mm	INTJ
ecletica-424	5	10	)	)	PUNCT
ecletica-424	5	11	are	be	AUX
ecletica-424	5	12	mixed	mix	VERB
ecletica-424	5	13	to	to	PART
ecletica-424	5	14	calculate	calculate	VERB
ecletica-424	5	15	several	several	ADJ
ecletica-424	5	16	parameters	parameter	NOUN
ecletica-424	5	17	for	for	ADP
ecletica-424	5	18	biological	biological	ADJ
ecletica-424	5	19	and	and	CCONJ
ecletica-424	5	20	many	many	ADJ
ecletica-424	5	21	other	other	ADJ
ecletica-424	5	22	systems[7	systems[7	NOUN
ecletica-424	5	23	-	-	SYM
ecletica-424	5	24	11	11	NUM
ecletica-424	5	25	]	]	PUNCT
ecletica-424	5	26	.	.	PUNCT
ecletica-424	6	1	the	the	DET
ecletica-424	6	2	crystalline	crystalline	PROPN
ecletica-424	6	3	structures	structure	NOUN
ecletica-424	6	4	of	of	ADP
ecletica-424	6	5	α	α	NOUN
ecletica-424	6	6	-	-	PUNCT
ecletica-424	6	7	dglucose	dglucose	NOUN
ecletica-424	6	8	,	,	PUNCT
ecletica-424	6	9	α	α	NOUN
ecletica-424	6	10	-	-	PUNCT
ecletica-424	6	11	d	d	NOUN
ecletica-424	6	12	-	-	PUNCT
ecletica-424	6	13	glucose	glucose	NOUN
ecletica-424	6	14	monohydrate	monohydrate	NOUN
ecletica-424	6	15	and	and	CCONJ
ecletica-424	6	16	β	β	NOUN
ecletica-424	6	17	-	-	NOUN
ecletica-424	6	18	dglucose	dglucose	NOUN
ecletica-424	6	19	were	be	AUX
ecletica-424	6	20	studied	study	VERB
ecletica-424	6	21	by	by	ADP
ecletica-424	6	22	means	mean	NOUN
ecletica-424	6	23	of	of	ADP
ecletica-424	6	24	ab	ab	PROPN
ecletica-424	6	25	initio	initio	PROPN
ecletica-424	6	26	calculations[12	calculations[12	PROPN
ecletica-424	6	27	]	]	PUNCT
ecletica-424	6	28	.	.	PUNCT
ecletica-424	7	1	the	the	DET
ecletica-424	7	2	interaction	interaction	NOUN
ecletica-424	7	3	between	between	ADP
ecletica-424	7	4	water	water	NOUN
ecletica-424	7	5	and	and	CCONJ
ecletica-424	7	6	α	α	NOUN
ecletica-424	7	7	/	/	SYM
ecletica-424	7	8	β	β	NOUN
ecletica-424	7	9	-	-	ADJ
ecletica-424	7	10	d	d	NOUN
ecletica-424	7	11	-	-	PUNCT
ecletica-424	7	12	glucose	glucose	NOUN
ecletica-424	7	13	was	be	AUX
ecletica-424	7	14	studied	study	VERB
ecletica-424	7	15	by	by	ADP
ecletica-424	7	16	density	density	NOUN
ecletica-424	7	17	functional	functional	ADJ
ecletica-424	7	18	theory	theory	NOUN
ecletica-424	7	19	(	(	PUNCT
ecletica-424	7	20	dft	dft	PROPN
ecletica-424	7	21	)	)	PUNCT
ecletica-424	7	22	b3lyp	b3lyp	NOUN
ecletica-424	8	1	level[13	level[13	NOUN
ecletica-424	8	2	]	]	X
ecletica-424	8	3	.	.	PUNCT
ecletica-424	9	1	both	both	DET
ecletica-424	9	2	α	α	NOUN
ecletica-424	9	3	and	and	CCONJ
ecletica-424	9	4	β	β	NOUN
ecletica-424	9	5	-	-	ADJ
ecletica-424	9	6	dglucose	dglucose	ADJ
ecletica-424	9	7	anomers	anomer	NOUN
ecletica-424	9	8	were	be	AUX
ecletica-424	9	9	studied	study	VERB
ecletica-424	9	10	in	in	ADP
ecletica-424	9	11	gas	gas	NOUN
ecletica-424	9	12	phase	phase	NOUN
ecletica-424	9	13	and	and	CCONJ
ecletica-424	9	14	solution	solution	NOUN
ecletica-424	9	15	form	form	NOUN
ecletica-424	9	16	using	use	VERB
ecletica-424	9	17	both	both	PRON
ecletica-424	9	18	dft	dft	PROPN
ecletica-424	9	19	and	and	CCONJ
ecletica-424	9	20	ab	ab	PROPN
ecletica-424	9	21	initio	initio	PROPN
ecletica-424	9	22	calculations	calculation	NOUN
ecletica-424	9	23	[	[	X
ecletica-424	9	24	14	14	NUM
ecletica-424	9	25	]	]	PUNCT
ecletica-424	9	26	.	.	PUNCT
ecletica-424	10	1	in	in	ADP
ecletica-424	10	2	the	the	DET
ecletica-424	10	3	same	same	ADJ
ecletica-424	10	4	way	way	NOUN
ecletica-424	10	5	,	,	PUNCT
ecletica-424	10	6	molecular	molecular	ADJ
ecletica-424	10	7	dynamics	dynamic	NOUN
ecletica-424	10	8	(	(	PUNCT
ecletica-424	10	9	md	md	PROPN
ecletica-424	10	10	)	)	PUNCT
ecletica-424	10	11	study	study	NOUN
ecletica-424	10	12	of	of	ADP
ecletica-424	10	13	1,5	1,5	NUM
ecletica-424	10	14	anhydro	anhydro	NOUN
ecletica-424	10	15	-	-	PUNCT
ecletica-424	10	16	d	d	NOUN
ecletica-424	10	17	-	-	PUNCT
ecletica-424	10	18	fructose	fructose	NOUN
ecletica-424	10	19	in	in	ADP
ecletica-424	10	20	aqueous	aqueous	ADJ
ecletica-424	10	21	solution	solution	NOUN
ecletica-424	10	22	have	have	AUX
ecletica-424	10	23	been	be	AUX
ecletica-424	10	24	carried	carry	VERB
ecletica-424	10	25	out[15	out[15	NOUN
ecletica-424	10	26	]	]	PUNCT
ecletica-424	10	27	.	.	PUNCT
ecletica-424	11	1	high	high	ADJ
ecletica-424	11	2	-	-	PUNCT
ecletica-424	11	3	level	level	NOUN
ecletica-424	11	4	dft	dft	NOUN
ecletica-424	11	5	methods	method	NOUN
ecletica-424	11	6	were	be	AUX
ecletica-424	11	7	used	use	VERB
ecletica-424	11	8	to	to	PART
ecletica-424	11	9	study	study	VERB
ecletica-424	11	10	the	the	DET
ecletica-424	11	11	conformational	conformational	ADJ
ecletica-424	11	12	preferences	preference	NOUN
ecletica-424	11	13	of	of	ADP
ecletica-424	11	14	the	the	DET
ecletica-424	11	15	4c1	4c1	NUM
ecletica-424	11	16	and	and	CCONJ
ecletica-424	11	17	1c4	1c4	NUM
ecletica-424	11	18	chair	chair	NOUN
ecletica-424	11	19	conformations	conformation	NOUN
ecletica-424	11	20	as	as	ADV
ecletica-424	11	21	well	well	ADV
ecletica-424	11	22	as	as	ADP
ecletica-424	11	23	boat	boat	NOUN
ecletica-424	11	24	and	and	CCONJ
ecletica-424	11	25	skew	skew	ADJ
ecletica-424	11	26	–	–	PUNCT
ecletica-424	11	27	boat	boat	NOUN
ecletica-424	11	28	conformations	conformation	NOUN
ecletica-424	11	29	of	of	ADP
ecletica-424	11	30	αand	αand	ADV
ecletica-424	11	31	β	β	NOUN
ecletica-424	11	32	-	-	ADJ
ecletica-424	11	33	d	d	NOUN
ecletica-424	11	34	-	-	NOUN
ecletica-424	11	35	mannopyranose[16	mannopyranose[16	NOUN
ecletica-424	11	36	]	]	PUNCT
ecletica-424	11	37	.	.	PUNCT
ecletica-424	12	1	generally	generally	ADV
ecletica-424	12	2	vibrational	vibrational	ADJ
ecletica-424	12	3	spectroscopic	spectroscopic	NOUN
ecletica-424	12	4	method	method	NOUN
ecletica-424	12	5	of	of	ADP
ecletica-424	12	6	analyses	analysis	NOUN
ecletica-424	12	7	were	be	AUX
ecletica-424	12	8	found	find	VERB
ecletica-424	12	9	useful	useful	ADJ
ecletica-424	12	10	to	to	PART
ecletica-424	12	11	characterize	characterize	VERB
ecletica-424	12	12	carbohydrates	carbohydrate	NOUN
ecletica-424	12	13	.	.	PUNCT
ecletica-424	13	1	the	the	DET
ecletica-424	13	2	raman	raman	ADJ
ecletica-424	13	3	optical	optical	ADJ
ecletica-424	13	4	activity	activity	NOUN
ecletica-424	13	5	of	of	ADP
ecletica-424	13	6	d	d	NOUN
ecletica-424	13	7	-	-	PUNCT
ecletica-424	13	8	fructose	fructose	NOUN
ecletica-424	13	9	in	in	ADP
ecletica-424	13	10	aqueous	aqueous	ADJ
ecletica-424	13	11	solution	solution	NOUN
ecletica-424	13	12	were	be	AUX
ecletica-424	13	13	reported[17	reported[17	NOUN
ecletica-424	13	14	]	]	PUNCT
ecletica-424	13	15	.	.	PUNCT
ecletica-424	14	1	both	both	DET
ecletica-424	14	2	physicochemical	physicochemical	ADJ
ecletica-424	14	3	properties	property	NOUN
ecletica-424	14	4	and	and	CCONJ
ecletica-424	14	5	vibrational	vibrational	ADJ
ecletica-424	14	6	spectra	spectra	NOUN
ecletica-424	14	7	of	of	ADP
ecletica-424	14	8	small	small	ADJ
ecletica-424	14	9	carbohydrates	carbohydrate	NOUN
ecletica-424	14	10	was	be	AUX
ecletica-424	14	11	studied	study	VERB
ecletica-424	14	12	to	to	ADP
ecletica-424	14	13	asses	ass	NOUN
ecletica-424	14	14	the	the	DET
ecletica-424	14	15	role	role	NOUN
ecletica-424	14	16	of	of	ADP
ecletica-424	14	17	water	water	NOUN
ecletica-424	14	18	in	in	ADP
ecletica-424	14	19	sweet	sweet	ADJ
ecletica-424	14	20	-	-	PUNCT
ecletica-424	14	21	taste	taste	NOUN
ecletica-424	14	22	of	of	ADP
ecletica-424	14	23	carbohydrate	carbohydrate	NOUN
ecletica-424	14	24	.	.	PUNCT
ecletica-424	15	1	so	so	ADV
ecletica-424	15	2	that	that	SCONJ
ecletica-424	15	3	,	,	PUNCT
ecletica-424	15	4	d	d	NOUN
ecletica-424	15	5	-	-	PUNCT
ecletica-424	15	6	fructose	fructose	NOUN
ecletica-424	15	7	in	in	ADP
ecletica-424	15	8	water	water	NOUN
ecletica-424	15	9	and	and	CCONJ
ecletica-424	15	10	alkali	alkali	ADJ
ecletica-424	15	11	solutions	solution	NOUN
ecletica-424	15	12	were	be	AUX
ecletica-424	15	13	studied	study	VERB
ecletica-424	15	14	using	use	VERB
ecletica-424	15	15	raman	raman	NOUN
ecletica-424	15	16	spectroscopy	spectroscopy	NOUN
ecletica-424	15	17	in	in	ADP
ecletica-424	15	18	the	the	DET
ecletica-424	15	19	oh	oh	NUM
ecletica-424	15	20	15ecl	15ecl	NOUN
ecletica-424	15	21	.	.	PUNCT
ecletica-424	16	1	quím	quím	PROPN
ecletica-424	16	2	.	.	PUNCT
ecletica-424	17	1	,	,	PUNCT
ecletica-424	17	2	são	são	PROPN
ecletica-424	17	3	paulo	paulo	PROPN
ecletica-424	17	4	,	,	PUNCT
ecletica-424	17	5	31(3	31(3	NUM
ecletica-424	17	6	):	):	PUNCT
ecletica-424	17	7	15	15	NUM
ecletica-424	17	8	-	-	SYM
ecletica-424	17	9	21	21	NUM
ecletica-424	17	10	,	,	PUNCT
ecletica-424	17	11	2006	2006	NUM
ecletica-424	17	12	www.scielo.br/eq	www.scielo.br/eq	NOUN
ecletica-424	17	13	volume	volume	NOUN
ecletica-424	17	14	31	31	NUM
ecletica-424	17	15	,	,	PUNCT
ecletica-424	17	16	número	número	NOUN
ecletica-424	17	17	3	3	NUM
ecletica-424	17	18	,	,	PUNCT
ecletica-424	17	19	2006	2006	NUM
ecletica-424	17	20	analysis	analysis	NOUN
ecletica-424	17	21	of	of	ADP
ecletica-424	17	22	the	the	DET
ecletica-424	17	23	structure	structure	NOUN
ecletica-424	17	24	and	and	CCONJ
ecletica-424	17	25	vibrational	vibrational	ADJ
ecletica-424	17	26	spectra	spectra	NOUN
ecletica-424	17	27	of	of	ADP
ecletica-424	17	28	glucose	glucose	NOUN
ecletica-424	17	29	and	and	CCONJ
ecletica-424	17	30	fructose	fructose	PROPN
ecletica-424	17	31	medhat	medhat	PROPN
ecletica-424	17	32	ibrahim1	ibrahim1	PROPN
ecletica-424	17	33	,	,	PUNCT
ecletica-424	17	34	moussa	moussa	PROPN
ecletica-424	17	35	alaam1	alaam1	PROPN
ecletica-424	17	36	,	,	PUNCT
ecletica-424	17	37	hanan	hanan	PROPN
ecletica-424	17	38	el	el	PROPN
ecletica-424	17	39	-	-	PROPN
ecletica-424	17	40	haes2	haes2	PROPN
ecletica-424	17	41	,	,	PUNCT
ecletica-424	17	42	abraham	abraham	PROPN
ecletica-424	17	43	f.	f.	PROPN
ecletica-424	17	44	jalbout3	jalbout3	PROPN
ecletica-424	17	45	,	,	PUNCT
ecletica-424	17	46	aned	ane	VERB
ecletica-424	17	47	de	de	X
ecletica-424	17	48	leon4	leon4	NOUN
ecletica-424	17	49	1spectroscopy	1spectroscopy	NUM
ecletica-424	17	50	department	department	NOUN
ecletica-424	17	51	,	,	PUNCT
ecletica-424	17	52	national	national	ADJ
ecletica-424	17	53	research	research	NOUN
ecletica-424	17	54	center	center	NOUN
ecletica-424	17	55	,	,	PUNCT
ecletica-424	17	56	nrc	nrc	PROPN
ecletica-424	17	57	.	.	PROPN
ecletica-424	17	58	,	,	PUNCT
ecletica-424	17	59	dokki	dokki	PROPN
ecletica-424	17	60	,	,	PUNCT
ecletica-424	17	61	cairo	cairo	PROPN
ecletica-424	17	62	,	,	PUNCT
ecletica-424	17	63	egypt	egypt	PROPN
ecletica-424	17	64	.	.	PUNCT
ecletica-424	18	1	2faculty	2faculty	NUM
ecletica-424	18	2	of	of	ADP
ecletica-424	18	3	women	woman	NOUN
ecletica-424	18	4	for	for	ADP
ecletica-424	18	5	arts	art	NOUN
ecletica-424	18	6	,	,	PUNCT
ecletica-424	18	7	science	science	NOUN
ecletica-424	18	8	,	,	PUNCT
ecletica-424	18	9	and	and	CCONJ
ecletica-424	18	10	education	education	NOUN
ecletica-424	18	11	,	,	PUNCT
ecletica-424	18	12	ain	ain	PROPN
ecletica-424	18	13	shams	shams	PROPN
ecletica-424	18	14	university	university	PROPN
ecletica-424	18	15	,	,	PUNCT
ecletica-424	18	16	cairo	cairo	PROPN
ecletica-424	18	17	,	,	PUNCT
ecletica-424	18	18	egypt	egypt	PROPN
ecletica-424	18	19	.	.	PUNCT
ecletica-424	19	1	3institute	3institute	NUM
ecletica-424	19	2	of	of	ADP
ecletica-424	19	3	chemistry	chemistry	NOUN
ecletica-424	19	4	,	,	PUNCT
ecletica-424	19	5	national	national	PROPN
ecletica-424	19	6	autonomous	autonomous	PROPN
ecletica-424	19	7	university	university	PROPN
ecletica-424	19	8	of	of	ADP
ecletica-424	19	9	mexico	mexico	PROPN
ecletica-424	19	10	,	,	PUNCT
ecletica-424	19	11	mexico	mexico	PROPN
ecletica-424	19	12	city	city	PROPN
ecletica-424	19	13	,	,	PUNCT
ecletica-424	19	14	mexico	mexico	PROPN
ecletica-424	19	15	4nasa	4nasa	PROPN
ecletica-424	19	16	astrobiology	astrobiology	PROPN
ecletica-424	19	17	institute	institute	PROPN
ecletica-424	19	18	(	(	PUNCT
ecletica-424	19	19	nai	nai	PROPN
ecletica-424	19	20	)	)	PUNCT
ecletica-424	19	21	,	,	PUNCT
ecletica-424	19	22	department	department	NOUN
ecletica-424	19	23	of	of	ADP
ecletica-424	19	24	chemistry	chemistry	NOUN
ecletica-424	19	25	and	and	CCONJ
ecletica-424	19	26	steward	steward	NOUN
ecletica-424	19	27	observatory	observatory	NOUN
ecletica-424	19	28	,	,	PUNCT
ecletica-424	19	29	the	the	DET
ecletica-424	19	30	university	university	PROPN
ecletica-424	19	31	of	of	ADP
ecletica-424	19	32	arizona	arizona	PROPN
ecletica-424	19	33	,	,	PUNCT
ecletica-424	19	34	tucson	tucson	PROPN
ecletica-424	19	35	,	,	PUNCT
ecletica-424	19	36	az	az	PROPN
ecletica-424	19	37	85721	85721	NUM
ecletica-424	19	38	usa	usa	PROPN
ecletica-424	19	39	abstract	abstract	NOUN
ecletica-424	19	40	:	:	PUNCT
ecletica-424	19	41	molecular	molecular	ADJ
ecletica-424	19	42	modelling	modelling	NOUN
ecletica-424	19	43	using	use	VERB
ecletica-424	19	44	semiempirical	semiempirical	ADJ
ecletica-424	19	45	methods	method	NOUN
ecletica-424	19	46	am1	am1	PROPN
ecletica-424	19	47	,	,	PUNCT
ecletica-424	19	48	pm3	pm3	PROPN
ecletica-424	19	49	,	,	PUNCT
ecletica-424	19	50	pm5	pm5	VERB
ecletica-424	19	51	and	and	CCONJ
ecletica-424	19	52	,	,	PUNCT
ecletica-424	19	53	mindo	mindo	NOUN
ecletica-424	19	54	as	as	ADV
ecletica-424	19	55	well	well	ADV
ecletica-424	19	56	as	as	ADP
ecletica-424	19	57	the	the	DET
ecletica-424	19	58	density	density	NOUN
ecletica-424	19	59	functional	functional	ADJ
ecletica-424	19	60	theory	theory	NOUN
ecletica-424	19	61	method	method	PROPN
ecletica-424	19	62	blyp	blyp	X
ecletica-424	19	63	/	/	SYM
ecletica-424	19	64	dzvp	dzvp	PROPN
ecletica-424	19	65	respectively	respectively	ADV
ecletica-424	19	66	were	be	AUX
ecletica-424	19	67	used	use	VERB
ecletica-424	19	68	to	to	PART
ecletica-424	19	69	calculate	calculate	VERB
ecletica-424	19	70	the	the	DET
ecletica-424	19	71	structure	structure	NOUN
ecletica-424	19	72	and	and	CCONJ
ecletica-424	19	73	vibrational	vibrational	ADJ
ecletica-424	19	74	spectra	spectra	NOUN
ecletica-424	19	75	of	of	ADP
ecletica-424	19	76	d	d	NOUN
ecletica-424	19	77	-	-	NOUN
ecletica-424	19	78	glucose	glucose	NOUN
ecletica-424	19	79	and	and	CCONJ
ecletica-424	19	80	d	d	NOUN
ecletica-424	19	81	-	-	PUNCT
ecletica-424	19	82	fructose	fructose	NOUN
ecletica-424	19	83	in	in	ADP
ecletica-424	19	84	their	their	PRON
ecletica-424	19	85	open	open	ADJ
ecletica-424	19	86	chain	chain	NOUN
ecletica-424	19	87	,	,	PUNCT
ecletica-424	19	88	α	α	NOUN
ecletica-424	19	89	-	-	PUNCT
ecletica-424	19	90	anomer	anomer	NOUN
ecletica-424	19	91	and	and	CCONJ
ecletica-424	19	92	β	β	NOUN
ecletica-424	19	93	-	-	ADJ
ecletica-424	19	94	anomer	anomer	ADJ
ecletica-424	19	95	monohydrate	monohydrate	NOUN
ecletica-424	19	96	forms	form	NOUN
ecletica-424	19	97	.	.	PUNCT
ecletica-424	20	1	the	the	DET
ecletica-424	20	2	calculated	calculate	VERB
ecletica-424	20	3	data	datum	NOUN
ecletica-424	20	4	show	show	VERB
ecletica-424	20	5	that	that	SCONJ
ecletica-424	20	6	both	both	DET
ecletica-424	20	7	molecules	molecule	NOUN
ecletica-424	20	8	are	be	AUX
ecletica-424	20	9	not	not	PART
ecletica-424	20	10	linear	linear	ADJ
ecletica-424	20	11	;	;	PUNCT
ecletica-424	20	12	ground	ground	NOUN
ecletica-424	20	13	state	state	NOUN
ecletica-424	20	14	and	and	CCONJ
ecletica-424	20	15	the	the	DET
ecletica-424	20	16	number	number	NOUN
ecletica-424	20	17	for	for	ADP
ecletica-424	20	18	the	the	DET
ecletica-424	20	19	point	point	NOUN
ecletica-424	20	20	-	-	PUNCT
ecletica-424	20	21	group	group	NOUN
ecletica-424	20	22	c	c	NOUN
ecletica-424	20	23	is	be	AUX
ecletica-424	20	24	equal	equal	ADJ
ecletica-424	20	25	to	to	ADP
ecletica-424	20	26	1	1	NUM
ecletica-424	20	27	.	.	PUNCT
ecletica-424	21	1	generally	generally	ADV
ecletica-424	21	2	,	,	PUNCT
ecletica-424	21	3	the	the	DET
ecletica-424	21	4	results	result	NOUN
ecletica-424	21	5	indicate	indicate	VERB
ecletica-424	21	6	that	that	SCONJ
ecletica-424	21	7	there	there	PRON
ecletica-424	21	8	are	be	VERB
ecletica-424	21	9	similarities	similarity	NOUN
ecletica-424	21	10	in	in	ADP
ecletica-424	21	11	bond	bond	NOUN
ecletica-424	21	12	lengths	length	NOUN
ecletica-424	21	13	and	and	CCONJ
ecletica-424	21	14	vibrational	vibrational	ADJ
ecletica-424	21	15	modes	mode	NOUN
ecletica-424	21	16	of	of	ADP
ecletica-424	21	17	both	both	DET
ecletica-424	21	18	molecules	molecule	NOUN
ecletica-424	21	19	.	.	PUNCT
ecletica-424	22	1	it	it	PRON
ecletica-424	22	2	is	be	AUX
ecletica-424	22	3	concluded	conclude	VERB
ecletica-424	22	4	that	that	SCONJ
ecletica-424	22	5	dft	dft	PROPN
ecletica-424	22	6	could	could	AUX
ecletica-424	22	7	be	be	AUX
ecletica-424	22	8	used	use	VERB
ecletica-424	22	9	to	to	PART
ecletica-424	22	10	study	study	VERB
ecletica-424	22	11	both	both	CCONJ
ecletica-424	22	12	the	the	DET
ecletica-424	22	13	structural	structural	ADJ
ecletica-424	22	14	and	and	CCONJ
ecletica-424	22	15	vibrational	vibrational	ADJ
ecletica-424	22	16	spectra	spectra	NOUN
ecletica-424	22	17	of	of	ADP
ecletica-424	22	18	glucose	glucose	NOUN
ecletica-424	22	19	and	and	CCONJ
ecletica-424	22	20	fructose	fructose	NOUN
ecletica-424	22	21	.	.	PUNCT
ecletica-424	23	1	keywords	keyword	NOUN
ecletica-424	23	2	:	:	PUNCT
ecletica-424	23	3	ftir	ftir	X
ecletica-424	23	4	;	;	PUNCT
ecletica-424	23	5	d	d	X
ecletica-424	23	6	-	-	PUNCT
ecletica-424	23	7	glucose	glucose	NOUN
ecletica-424	23	8	;	;	PUNCT
ecletica-424	23	9	d	d	X
ecletica-424	23	10	-	-	PUNCT
ecletica-424	23	11	fructose	fructose	ADJ
ecletica-424	23	12	;	;	PUNCT
ecletica-424	23	13	α	α	X
ecletica-424	23	14	-	-	PUNCT
ecletica-424	23	15	anomer	anomer	ADJ
ecletica-424	23	16	;	;	PUNCT
ecletica-424	23	17	α	α	X
ecletica-424	23	18	-	-	PUNCT
ecletica-424	23	19	anomer	anomer	ADJ
ecletica-424	23	20	;	;	PUNCT
ecletica-424	23	21	semiempirical	semiempirical	ADJ
ecletica-424	23	22	calculations	calculation	NOUN
ecletica-424	23	23	;	;	PUNCT
ecletica-424	23	24	density	density	NOUN
ecletica-424	23	25	functional	functional	ADJ
ecletica-424	23	26	theory	theory	NOUN
ecletica-424	23	27	(	(	PUNCT
ecletica-424	23	28	dft	dft	NOUN
ecletica-424	23	29	)	)	PUNCT
ecletica-424	23	30	.	.	PUNCT
ecletica-424	24	1	stretching	stretch	VERB
ecletica-424	24	2	region[18	region[18	NOUN
ecletica-424	24	3	]	]	PUNCT
ecletica-424	24	4	.	.	PUNCT
ecletica-424	25	1	sequential	sequential	ADJ
ecletica-424	25	2	injection	injection	NOUN
ecletica-424	25	3	fourier	fourier	NOUN
ecletica-424	25	4	transform	transform	NOUN
ecletica-424	25	5	infrared	infrared	ADJ
ecletica-424	25	6	(	(	PUNCT
ecletica-424	25	7	ftir	ftir	NOUN
ecletica-424	25	8	)	)	PUNCT
ecletica-424	25	9	spectroscopy	spectroscopy	NOUN
ecletica-424	25	10	is	be	AUX
ecletica-424	25	11	presented	present	VERB
ecletica-424	25	12	as	as	ADP
ecletica-424	25	13	a	a	DET
ecletica-424	25	14	fully	fully	ADV
ecletica-424	25	15	automated	automate	VERB
ecletica-424	25	16	method	method	NOUN
ecletica-424	25	17	for	for	ADP
ecletica-424	25	18	the	the	DET
ecletica-424	25	19	rapid	rapid	ADJ
ecletica-424	25	20	determination	determination	NOUN
ecletica-424	25	21	of	of	ADP
ecletica-424	25	22	glucose	glucose	NOUN
ecletica-424	25	23	,	,	PUNCT
ecletica-424	25	24	fructose	fructose	NOUN
ecletica-424	25	25	,	,	PUNCT
ecletica-424	25	26	and	and	CCONJ
ecletica-424	25	27	sucrose	sucrose	VERB
ecletica-424	25	28	in	in	ADP
ecletica-424	25	29	soft	soft	ADJ
ecletica-424	25	30	drinks[19	drinks[19	NOUN
ecletica-424	25	31	]	]	PUNCT
ecletica-424	25	32	.	.	PUNCT
ecletica-424	26	1	ftir	ftir	PROPN
ecletica-424	26	2	was	be	AUX
ecletica-424	26	3	also	also	ADV
ecletica-424	26	4	used	use	VERB
ecletica-424	26	5	to	to	PART
ecletica-424	26	6	study	study	VERB
ecletica-424	26	7	the	the	DET
ecletica-424	26	8	adsorption	adsorption	NOUN
ecletica-424	26	9	of	of	ADP
ecletica-424	26	10	glucose	glucose	NOUN
ecletica-424	26	11	monomer	monomer	NOUN
ecletica-424	26	12	on	on	ADP
ecletica-424	26	13	hematite	hematite	NOUN
ecletica-424	26	14	and	and	CCONJ
ecletica-424	26	15	quartz	quartz	NOUN
ecletica-424	26	16	.	.	PUNCT
ecletica-424	27	1	the	the	DET
ecletica-424	27	2	common	common	ADJ
ecletica-424	27	3	adsorption	adsorption	NOUN
ecletica-424	27	4	mechanism	mechanism	NOUN
ecletica-424	27	5	indicated	indicate	VERB
ecletica-424	27	6	is	be	AUX
ecletica-424	27	7	a	a	DET
ecletica-424	27	8	surface	surface	NOUN
ecletica-424	27	9	reaction	reaction	NOUN
ecletica-424	27	10	involving	involve	VERB
ecletica-424	27	11	the	the	DET
ecletica-424	27	12	iron	iron	NOUN
ecletica-424	27	13	ion[20	ion[20	NOUN
ecletica-424	27	14	]	]	PUNCT
ecletica-424	27	15	.	.	PUNCT
ecletica-424	28	1	glucose	glucose	NOUN
ecletica-424	28	2	among	among	ADP
ecletica-424	28	3	other	other	ADJ
ecletica-424	28	4	carbohydrate	carbohydrate	NOUN
ecletica-424	28	5	molecules	molecule	NOUN
ecletica-424	28	6	were	be	AUX
ecletica-424	28	7	linked	link	VERB
ecletica-424	28	8	to	to	ADP
ecletica-424	28	9	maleic	maleic	VERB
ecletica-424	28	10	anhydride	anhydride	NOUN
ecletica-424	28	11	functionalized	functionalize	VERB
ecletica-424	28	12	polystyrene	polystyrene	NOUN
ecletica-424	28	13	by	by	ADP
ecletica-424	28	14	polymer	polymer	NOUN
ecletica-424	28	15	analogous	analogous	ADJ
ecletica-424	28	16	reactions	reaction	NOUN
ecletica-424	28	17	to	to	PART
ecletica-424	28	18	produce	produce	VERB
ecletica-424	28	19	biodegradable	biodegradable	ADJ
ecletica-424	28	20	polymers	polymer	NOUN
ecletica-424	28	21	.	.	PUNCT
ecletica-424	29	1	ftir	ftir	PROPN
ecletica-424	29	2	spectra	spectra	PROPN
ecletica-424	29	3	confirmed	confirm	VERB
ecletica-424	29	4	the	the	DET
ecletica-424	29	5	degradation	degradation	NOUN
ecletica-424	29	6	of	of	ADP
ecletica-424	29	7	the	the	DET
ecletica-424	29	8	polymer[21	polymer[21	NOUN
ecletica-424	29	9	]	]	PUNCT
ecletica-424	29	10	.	.	PUNCT
ecletica-424	30	1	on	on	ADP
ecletica-424	30	2	the	the	DET
ecletica-424	30	3	basis	basis	NOUN
ecletica-424	30	4	of	of	ADP
ecletica-424	30	5	the	the	DET
ecletica-424	30	6	above	above	ADJ
ecletica-424	30	7	considerations	consideration	NOUN
ecletica-424	30	8	,	,	PUNCT
ecletica-424	30	9	the	the	DET
ecletica-424	30	10	present	present	ADJ
ecletica-424	30	11	study	study	NOUN
ecletica-424	30	12	aims	aim	VERB
ecletica-424	30	13	to	to	PART
ecletica-424	30	14	use	use	VERB
ecletica-424	30	15	molecular	molecular	ADJ
ecletica-424	30	16	modelling	modelling	NOUN
ecletica-424	30	17	together	together	ADV
ecletica-424	30	18	with	with	ADP
ecletica-424	30	19	the	the	DET
ecletica-424	30	20	experimental	experimental	ADJ
ecletica-424	30	21	measurements	measurement	NOUN
ecletica-424	30	22	to	to	PART
ecletica-424	30	23	study	study	VERB
ecletica-424	30	24	the	the	DET
ecletica-424	30	25	structure	structure	NOUN
ecletica-424	30	26	and	and	CCONJ
ecletica-424	30	27	vibrational	vibrational	ADJ
ecletica-424	30	28	spectra	spectra	NOUN
ecletica-424	30	29	of	of	ADP
ecletica-424	30	30	two	two	NUM
ecletica-424	30	31	important	important	ADJ
ecletica-424	30	32	biological	biological	ADJ
ecletica-424	30	33	molecules	molecule	NOUN
ecletica-424	30	34	,	,	PUNCT
ecletica-424	30	35	glucose	glucose	NOUN
ecletica-424	30	36	and	and	CCONJ
ecletica-424	30	37	fructose	fructose	NOUN
ecletica-424	30	38	in	in	ADP
ecletica-424	30	39	their	their	PRON
ecletica-424	30	40	open	open	ADJ
ecletica-424	30	41	chain	chain	NOUN
ecletica-424	30	42	,	,	PUNCT
ecletica-424	30	43	α	α	NOUN
ecletica-424	30	44	-	-	PUNCT
ecletica-424	30	45	anomer	anomer	ADJ
ecletica-424	30	46	and	and	CCONJ
ecletica-424	30	47	βanomer	βanomer	NOUN
ecletica-424	30	48	monohydrate	monohydrate	PROPN
ecletica-424	30	49	structures	structure	NOUN
ecletica-424	30	50	.	.	PUNCT
ecletica-424	31	1	molecular	molecular	ADJ
ecletica-424	31	2	modeling	modeling	NOUN
ecletica-424	31	3	calculations	calculation	NOUN
ecletica-424	31	4	were	be	AUX
ecletica-424	31	5	conducted	conduct	VERB
ecletica-424	31	6	using	use	VERB
ecletica-424	31	7	semiempirical	semiempirical	ADJ
ecletica-424	31	8	methods	method	NOUN
ecletica-424	31	9	,	,	PUNCT
ecletica-424	31	10	am1	am1	PROPN
ecletica-424	31	11	,	,	PUNCT
ecletica-424	31	12	pm3	pm3	PROPN
ecletica-424	31	13	,	,	PUNCT
ecletica-424	31	14	pm5	pm5	VERB
ecletica-424	31	15	and	and	CCONJ
ecletica-424	31	16	mindo	mindo	NOUN
ecletica-424	31	17	.	.	PUNCT
ecletica-424	32	1	furthermore	furthermore	ADV
ecletica-424	32	2	,	,	PUNCT
ecletica-424	32	3	the	the	DET
ecletica-424	32	4	dft	dft	PROPN
ecletica-424	32	5	(	(	PUNCT
ecletica-424	32	6	blyp	blyp	X
ecletica-424	32	7	/	/	SYM
ecletica-424	32	8	dzvp	dzvp	PROPN
ecletica-424	32	9	)	)	PUNCT
ecletica-424	32	10	was	be	AUX
ecletica-424	32	11	also	also	ADV
ecletica-424	32	12	used	use	VERB
ecletica-424	32	13	.	.	PUNCT
ecletica-424	33	1	the	the	DET
ecletica-424	33	2	structure	structure	NOUN
ecletica-424	33	3	and	and	CCONJ
ecletica-424	33	4	vibrational	vibrational	ADJ
ecletica-424	33	5	spectra	spectra	NOUN
ecletica-424	33	6	of	of	ADP
ecletica-424	33	7	the	the	DET
ecletica-424	33	8	two	two	NUM
ecletica-424	33	9	molecules	molecule	NOUN
ecletica-424	33	10	were	be	AUX
ecletica-424	33	11	calculated	calculate	VERB
ecletica-424	33	12	.	.	PUNCT
ecletica-424	34	1	the	the	DET
ecletica-424	34	2	computed	compute	VERB
ecletica-424	34	3	blyp	blyp	PROPN
ecletica-424	34	4	/	/	SYM
ecletica-424	34	5	dzvp	dzvp	PROPN
ecletica-424	34	6	frequencies	frequency	NOUN
ecletica-424	34	7	were	be	AUX
ecletica-424	34	8	compared	compare	VERB
ecletica-424	34	9	with	with	ADP
ecletica-424	34	10	those	those	PRON
ecletica-424	34	11	obtained	obtain	VERB
ecletica-424	34	12	experimentally	experimentally	ADV
ecletica-424	34	13	by	by	ADP
ecletica-424	34	14	ftir	ftir	PROPN
ecletica-424	34	15	spectroscopy	spectroscopy	VERB
ecletica-424	34	16	experimental	experimental	ADJ
ecletica-424	34	17	α	α	PROPN
ecletica-424	34	18	-	-	PUNCT
ecletica-424	34	19	d	d	NOUN
ecletica-424	34	20	-	-	PUNCT
ecletica-424	34	21	glucose	glucose	NOUN
ecletica-424	34	22	and	and	CCONJ
ecletica-424	34	23	β	β	NOUN
ecletica-424	34	24	-	-	ADJ
ecletica-424	34	25	d	d	NOUN
ecletica-424	34	26	-	-	PUNCT
ecletica-424	34	27	fructose	fructose	NOUN
ecletica-424	34	28	were	be	AUX
ecletica-424	34	29	purchased	purchase	VERB
ecletica-424	34	30	from	from	ADP
ecletica-424	34	31	aldrich	aldrich	PROPN
ecletica-424	34	32	(	(	PUNCT
ecletica-424	34	33	molecular	molecular	ADJ
ecletica-424	34	34	weight	weight	NOUN
ecletica-424	34	35	for	for	ADP
ecletica-424	34	36	each	each	PRON
ecletica-424	34	37	is	be	AUX
ecletica-424	34	38	180.16	180.16	NUM
ecletica-424	34	39	)	)	PUNCT
ecletica-424	34	40	and	and	CCONJ
ecletica-424	34	41	were	be	AUX
ecletica-424	34	42	used	use	VERB
ecletica-424	34	43	without	without	ADP
ecletica-424	34	44	further	further	ADJ
ecletica-424	34	45	purification	purification	NOUN
ecletica-424	34	46	.	.	PUNCT
ecletica-424	35	1	the	the	DET
ecletica-424	35	2	ftir	ftir	PROPN
ecletica-424	35	3	spectra	spectra	PROPN
ecletica-424	35	4	were	be	AUX
ecletica-424	35	5	collected	collect	VERB
ecletica-424	35	6	for	for	ADP
ecletica-424	35	7	these	these	DET
ecletica-424	35	8	samples	sample	NOUN
ecletica-424	35	9	using	use	VERB
ecletica-424	35	10	fourier	fourier	NOUN
ecletica-424	35	11	transform	transform	NOUN
ecletica-424	35	12	ir	ir	PROPN
ecletica-424	35	13	spectrometer	spectrometer	NOUN
ecletica-424	35	14	nexus	nexus	PROPN
ecletica-424	35	15	670	670	NUM
ecletica-424	35	16	,	,	PUNCT
ecletica-424	35	17	nicolet	nicolet	PROPN
ecletica-424	35	18	,	,	PUNCT
ecletica-424	35	19	usa	usa	PROPN
ecletica-424	35	20	.	.	PUNCT
ecletica-424	36	1	the	the	DET
ecletica-424	36	2	number	number	NOUN
ecletica-424	36	3	of	of	ADP
ecletica-424	36	4	scans	scan	NOUN
ecletica-424	36	5	was	be	AUX
ecletica-424	36	6	32	32	NUM
ecletica-424	36	7	and	and	CCONJ
ecletica-424	36	8	the	the	DET
ecletica-424	36	9	resolution	resolution	NOUN
ecletica-424	36	10	was	be	AUX
ecletica-424	36	11	4	4	NUM
ecletica-424	36	12	cm-1	cm-1	NOUN
ecletica-424	36	13	.	.	PUNCT
ecletica-424	37	1	all	all	DET
ecletica-424	37	2	spectra	spectra	PROPN
ecletica-424	37	3	were	be	AUX
ecletica-424	37	4	collected	collect	VERB
ecletica-424	37	5	in	in	ADP
ecletica-424	37	6	the	the	DET
ecletica-424	37	7	range	range	NOUN
ecletica-424	37	8	(	(	PUNCT
ecletica-424	37	9	4000	4000	NUM
ecletica-424	37	10	-	-	SYM
ecletica-424	37	11	400	400	NUM
ecletica-424	37	12	cm-1	cm-1	NOUN
ecletica-424	37	13	)	)	PUNCT
ecletica-424	37	14	.	.	PUNCT
ecletica-424	38	1	the	the	DET
ecletica-424	38	2	kbr	kbr	PROPN
ecletica-424	38	3	technique	technique	NOUN
ecletica-424	38	4	was	be	AUX
ecletica-424	38	5	used	use	VERB
ecletica-424	38	6	to	to	PART
ecletica-424	38	7	prepare	prepare	VERB
ecletica-424	38	8	the	the	DET
ecletica-424	38	9	samples	sample	NOUN
ecletica-424	38	10	for	for	ADP
ecletica-424	38	11	ir	ir	PROPN
ecletica-424	38	12	measurements	measurement	NOUN
ecletica-424	38	13	.	.	PUNCT
ecletica-424	39	1	calculation	calculation	NOUN
ecletica-424	39	2	details	detail	NOUN
ecletica-424	39	3	calculations	calculation	NOUN
ecletica-424	39	4	were	be	AUX
ecletica-424	39	5	carried	carry	VERB
ecletica-424	39	6	out	out	ADP
ecletica-424	39	7	on	on	ADP
ecletica-424	39	8	a	a	DET
ecletica-424	39	9	personal	personal	ADJ
ecletica-424	39	10	computer	computer	NOUN
ecletica-424	39	11	using	use	VERB
ecletica-424	39	12	quantum	quantum	ADJ
ecletica-424	39	13	mechanical	mechanical	ADJ
ecletica-424	39	14	methods	method	NOUN
ecletica-424	39	15	as	as	SCONJ
ecletica-424	39	16	implemented	implement	VERB
ecletica-424	39	17	with	with	ADP
ecletica-424	39	18	the	the	DET
ecletica-424	39	19	mopac	mopac	NOUN
ecletica-424	39	20	2002	2002	NUM
ecletica-424	39	21	version	version	NOUN
ecletica-424	39	22	1.33	1.33	NUM
ecletica-424	39	23	16	16	NUM
ecletica-424	39	24	ecl	ecl	PROPN
ecletica-424	39	25	.	.	PROPN
ecletica-424	39	26	quím	quím	PROPN
ecletica-424	39	27	.	.	PUNCT
ecletica-424	40	1	,	,	PUNCT
ecletica-424	40	2	são	são	PROPN
ecletica-424	40	3	paulo	paulo	PROPN
ecletica-424	40	4	,	,	PUNCT
ecletica-424	40	5	31(3	31(3	NUM
ecletica-424	40	6	):	):	PUNCT
ecletica-424	40	7	15	15	NUM
ecletica-424	40	8	-	-	SYM
ecletica-424	40	9	21	21	NUM
ecletica-424	40	10	,	,	PUNCT
ecletica-424	40	11	2006	2006	NUM
ecletica-424	40	12	cache	cache	NOUN
ecletica-424	40	13	program	program	NOUN
ecletica-424	40	14	(	(	PUNCT
ecletica-424	40	15	by	by	ADP
ecletica-424	40	16	fujitsu	fujitsu	PROPN
ecletica-424	40	17	)	)	PUNCT
ecletica-424	40	18	.	.	PUNCT
ecletica-424	41	1	the	the	DET
ecletica-424	41	2	geometry	geometry	NOUN
ecletica-424	41	3	of	of	ADP
ecletica-424	41	4	glucose	glucose	NOUN
ecletica-424	41	5	and	and	CCONJ
ecletica-424	41	6	fructose	fructose	NOUN
ecletica-424	41	7	in	in	ADP
ecletica-424	41	8	their	their	PRON
ecletica-424	41	9	open	open	ADJ
ecletica-424	41	10	chain	chain	NOUN
ecletica-424	41	11	,	,	PUNCT
ecletica-424	41	12	αanomer	αanomer	NOUN
ecletica-424	41	13	as	as	ADV
ecletica-424	41	14	well	well	ADV
ecletica-424	41	15	as	as	ADP
ecletica-424	41	16	β	β	NOUN
ecletica-424	41	17	-	-	ADJ
ecletica-424	41	18	anomer	anomer	ADJ
ecletica-424	41	19	monohydrate	monohydrate	PROPN
ecletica-424	41	20	structures	structure	NOUN
ecletica-424	41	21	were	be	AUX
ecletica-424	41	22	optimized	optimize	VERB
ecletica-424	41	23	at	at	ADP
ecletica-424	41	24	semiempirical	semiempirical	ADJ
ecletica-424	41	25	methods	method	NOUN
ecletica-424	41	26	am1[22	am1[22	ADJ
ecletica-424	41	27	]	]	PUNCT
ecletica-424	41	28	,	,	PUNCT
ecletica-424	41	29	pm3[22	pm3[22	NOUN
ecletica-424	41	30	]	]	X
ecletica-424	41	31	,	,	PUNCT
ecletica-424	41	32	pm5[23	pm5[23	PROPN
ecletica-424	41	33	]	]	PUNCT
ecletica-424	41	34	and	and	CCONJ
ecletica-424	41	35	mindo[24	mindo[24	PROPN
ecletica-424	41	36	]	]	X
ecletica-424	41	37	as	as	ADV
ecletica-424	41	38	well	well	ADV
ecletica-424	41	39	as	as	ADP
ecletica-424	41	40	dft	dft	PROPN
ecletica-424	41	41	method	method	NOUN
ecletica-424	41	42	,	,	PUNCT
ecletica-424	41	43	beck	beck	PROPN
ecletica-424	41	44	-	-	PUNCT
ecletica-424	41	45	lee	lee	PROPN
ecletica-424	41	46	-	-	PUNCT
ecletica-424	41	47	yang	yang	PROPN
ecletica-424	41	48	-	-	PUNCT
ecletica-424	41	49	parr	parr	PROPN
ecletica-424	41	50	correlation	correlation	NOUN
ecletica-424	41	51	functional	functional	ADJ
ecletica-424	41	52	,	,	PUNCT
ecletica-424	41	53	blyp	blyp	NOUN
ecletica-424	41	54	with	with	ADP
ecletica-424	41	55	the	the	DET
ecletica-424	41	56	double	double	ADJ
ecletica-424	41	57	zeta	zeta	NOUN
ecletica-424	41	58	,	,	PUNCT
ecletica-424	41	59	dzvp	dzvp	PROPN
ecletica-424	41	60	basis	basis	NOUN
ecletica-424	41	61	set	set	NOUN
ecletica-424	41	62	.	.	PUNCT
ecletica-424	42	1	for	for	ADP
ecletica-424	42	2	the	the	DET
ecletica-424	42	3	dft	dft	PROPN
ecletica-424	42	4	method	method	NOUN
ecletica-424	42	5	,	,	PUNCT
ecletica-424	42	6	the	the	DET
ecletica-424	42	7	vibrational	vibrational	ADJ
ecletica-424	42	8	spectra	spectra	NOUN
ecletica-424	42	9	were	be	AUX
ecletica-424	42	10	performed	perform	VERB
ecletica-424	42	11	after	after	ADP
ecletica-424	42	12	the	the	DET
ecletica-424	42	13	harmonic	harmonic	ADJ
ecletica-424	42	14	approximation	approximation	NOUN
ecletica-424	42	15	.	.	PUNCT
ecletica-424	43	1	results	result	NOUN
ecletica-424	43	2	and	and	CCONJ
ecletica-424	43	3	discussion	discussion	NOUN
ecletica-424	43	4	optimized	optimize	VERB
ecletica-424	43	5	geometry	geometry	NOUN
ecletica-424	43	6	:	:	PUNCT
ecletica-424	43	7	the	the	DET
ecletica-424	43	8	calculations	calculation	NOUN
ecletica-424	43	9	of	of	ADP
ecletica-424	43	10	geometry	geometry	NOUN
ecletica-424	43	11	optimization	optimization	NOUN
ecletica-424	43	12	locate	locate	VERB
ecletica-424	43	13	the	the	DET
ecletica-424	43	14	lowest	low	ADJ
ecletica-424	43	15	energy	energy	NOUN
ecletica-424	43	16	molecular	molecular	ADJ
ecletica-424	43	17	structure	structure	NOUN
ecletica-424	43	18	in	in	ADP
ecletica-424	43	19	close	close	ADJ
ecletica-424	43	20	proximity	proximity	NOUN
ecletica-424	43	21	to	to	ADP
ecletica-424	43	22	the	the	DET
ecletica-424	43	23	specified	specify	VERB
ecletica-424	43	24	starting	start	VERB
ecletica-424	43	25	structure[25	structure[25	NOUN
ecletica-424	43	26	-	-	PUNCT
ecletica-424	43	27	27	27	NUM
ecletica-424	43	28	]	]	PUNCT
ecletica-424	43	29	.	.	PUNCT
ecletica-424	44	1	the	the	DET
ecletica-424	44	2	symmetry	symmetry	NOUN
ecletica-424	44	3	of	of	ADP
ecletica-424	44	4	the	the	DET
ecletica-424	44	5	molecular	molecular	ADJ
ecletica-424	44	6	structures	structure	NOUN
ecletica-424	44	7	as	as	SCONJ
ecletica-424	44	8	shown	show	VERB
ecletica-424	44	9	in	in	ADP
ecletica-424	44	10	figure	figure	NOUN
ecletica-424	44	11	1	1	NUM
ecletica-424	44	12	corresponds	correspond	NOUN
ecletica-424	44	13	to	to	ADP
ecletica-424	44	14	the	the	DET
ecletica-424	44	15	c1	c1	PROPN
ecletica-424	44	16	point	point	NOUN
ecletica-424	44	17	group	group	NOUN
ecletica-424	44	18	.	.	PUNCT
ecletica-424	45	1	the	the	DET
ecletica-424	45	2	two	two	NUM
ecletica-424	45	3	studied	study	VERB
ecletica-424	45	4	molecules	molecule	NOUN
ecletica-424	45	5	reveal	reveal	VERB
ecletica-424	45	6	that	that	SCONJ
ecletica-424	45	7	they	they	PRON
ecletica-424	45	8	both	both	PRON
ecletica-424	45	9	have	have	VERB
ecletica-424	45	10	the	the	DET
ecletica-424	45	11	same	same	ADJ
ecletica-424	45	12	chemical	chemical	NOUN
ecletica-424	45	13	formula	formula	NOUN
ecletica-424	45	14	,	,	PUNCT
ecletica-424	45	15	which	which	PRON
ecletica-424	45	16	is	be	AUX
ecletica-424	45	17	c6h12o6	c6h12o6	VERB
ecletica-424	45	18	.	.	PUNCT
ecletica-424	46	1	the	the	DET
ecletica-424	46	2	open	open	ADJ
ecletica-424	46	3	chain	chain	NOUN
ecletica-424	46	4	d	d	NOUN
ecletica-424	46	5	-	-	PUNCT
ecletica-424	46	6	glucose	glucose	NOUN
ecletica-424	46	7	molecule	molecule	NOUN
ecletica-424	46	8	in	in	ADP
ecletica-424	46	9	figure	figure	NOUN
ecletica-424	46	10	1	1	NUM
ecletica-424	46	11	-	-	PUNCT
ecletica-424	46	12	a	a	DET
ecletica-424	46	13	starts	start	NOUN
ecletica-424	46	14	with	with	ADP
ecletica-424	46	15	a	a	DET
ecletica-424	46	16	cho	cho	PROPN
ecletica-424	46	17	group	group	NOUN
ecletica-424	46	18	bonded	bond	VERB
ecletica-424	46	19	to	to	ADP
ecletica-424	46	20	four	four	NUM
ecletica-424	46	21	subsequent	subsequent	ADJ
ecletica-424	46	22	carbon	carbon	NOUN
ecletica-424	46	23	atoms	atom	NOUN
ecletica-424	46	24	and	and	CCONJ
ecletica-424	46	25	each	each	DET
ecletica-424	46	26	carbon	carbon	NOUN
ecletica-424	46	27	atom	atom	NOUN
ecletica-424	46	28	carries	carry	VERB
ecletica-424	46	29	a	a	DET
ecletica-424	46	30	hydroxyl	hydroxyl	NOUN
ecletica-424	46	31	group	group	NOUN
ecletica-424	46	32	and	and	CCONJ
ecletica-424	46	33	a	a	DET
ecletica-424	46	34	hydrogen	hydrogen	NOUN
ecletica-424	46	35	atom	atom	NOUN
ecletica-424	46	36	and	and	CCONJ
ecletica-424	46	37	the	the	DET
ecletica-424	46	38	last	last	ADJ
ecletica-424	46	39	carbon	carbon	NOUN
ecletica-424	46	40	atom	atom	NOUN
ecletica-424	46	41	is	be	AUX
ecletica-424	46	42	bonded	bond	VERB
ecletica-424	46	43	to	to	ADP
ecletica-424	46	44	methyl	methyl	PROPN
ecletica-424	46	45	group	group	PROPN
ecletica-424	46	46	ch2oh	ch2oh	PROPN
ecletica-424	46	47	.	.	PUNCT
ecletica-424	47	1	similarly	similarly	ADV
ecletica-424	47	2	the	the	DET
ecletica-424	47	3	open	open	ADJ
ecletica-424	47	4	chain	chain	NOUN
ecletica-424	47	5	dfructose	dfructose	NOUN
ecletica-424	47	6	can	can	AUX
ecletica-424	47	7	be	be	AUX
ecletica-424	47	8	described	describe	VERB
ecletica-424	47	9	as	as	ADP
ecletica-424	47	10	in	in	ADP
ecletica-424	47	11	figure	figure	NOUN
ecletica-424	47	12	1	1	NUM
ecletica-424	47	13	-	-	NOUN
ecletica-424	47	14	d.	d.	NOUN
ecletica-424	47	15	in	in	ADP
ecletica-424	47	16	contrast	contrast	NOUN
ecletica-424	47	17	to	to	ADP
ecletica-424	47	18	d	d	NOUN
ecletica-424	47	19	-	-	PUNCT
ecletica-424	47	20	glucose	glucose	VERB
ecletica-424	47	21	the	the	DET
ecletica-424	47	22	structure	structure	NOUN
ecletica-424	47	23	of	of	ADP
ecletica-424	47	24	the	the	DET
ecletica-424	47	25	optimized	optimize	VERB
ecletica-424	47	26	d	d	NOUN
ecletica-424	47	27	-	-	PUNCT
ecletica-424	47	28	fructose	fructose	NOUN
ecletica-424	47	29	contains	contain	VERB
ecletica-424	47	30	4	4	NUM
ecletica-424	47	31	carbon	carbon	NOUN
ecletica-424	47	32	atoms	atom	NOUN
ecletica-424	47	33	between	between	ADP
ecletica-424	47	34	two	two	NUM
ecletica-424	47	35	methyl	methyl	NOUN
ecletica-424	47	36	groups	group	NOUN
ecletica-424	47	37	ch2oh	ch2oh	PROPN
ecletica-424	47	38	.	.	PUNCT
ecletica-424	48	1	the	the	DET
ecletica-424	48	2	second	second	ADJ
ecletica-424	48	3	carbon	carbon	NOUN
ecletica-424	48	4	atom	atom	NOUN
ecletica-424	48	5	is	be	AUX
ecletica-424	48	6	bonded	bond	VERB
ecletica-424	48	7	to	to	ADP
ecletica-424	48	8	an	an	DET
ecletica-424	48	9	oxygen	oxygen	NOUN
ecletica-424	48	10	atom	atom	NOUN
ecletica-424	48	11	to	to	PART
ecletica-424	48	12	form	form	VERB
ecletica-424	48	13	c	c	NOUN
ecletica-424	48	14	=	=	NOUN
ecletica-424	48	15	o	o	NOUN
ecletica-424	48	16	while	while	SCONJ
ecletica-424	48	17	the	the	DET
ecletica-424	48	18	rest	rest	NOUN
ecletica-424	48	19	of	of	ADP
ecletica-424	48	20	carbon	carbon	NOUN
ecletica-424	48	21	atoms	atom	NOUN
ecletica-424	48	22	is	be	AUX
ecletica-424	48	23	carrying	carry	VERB
ecletica-424	48	24	hydrogen	hydrogen	NOUN
ecletica-424	48	25	atoms	atom	NOUN
ecletica-424	48	26	and	and	CCONJ
ecletica-424	48	27	hydroxyl	hydroxyl	NOUN
ecletica-424	48	28	groups	group	NOUN
ecletica-424	48	29	.	.	PUNCT
ecletica-424	49	1	the	the	DET
ecletica-424	49	2	flexibility	flexibility	NOUN
ecletica-424	49	3	of	of	ADP
ecletica-424	49	4	these	these	DET
ecletica-424	49	5	open	open	ADJ
ecletica-424	49	6	chain	chain	NOUN
ecletica-424	49	7	molecules	molecule	NOUN
ecletica-424	49	8	together	together	ADV
ecletica-424	49	9	with	with	ADP
ecletica-424	49	10	the	the	DET
ecletica-424	49	11	high	high	ADJ
ecletica-424	49	12	reactivity	reactivity	NOUN
ecletica-424	49	13	of	of	ADP
ecletica-424	49	14	the	the	DET
ecletica-424	49	15	ch2oh	ch2oh	NOUN
ecletica-424	49	16	and	and	CCONJ
ecletica-424	49	17	cho	cho	PROPN
ecletica-424	49	18	groups	group	NOUN
ecletica-424	49	19	lead	lead	VERB
ecletica-424	49	20	to	to	ADP
ecletica-424	49	21	an	an	DET
ecletica-424	49	22	internal	internal	ADJ
ecletica-424	49	23	cyclizations	cyclization	NOUN
ecletica-424	49	24	,	,	PUNCT
ecletica-424	49	25	as	as	SCONJ
ecletica-424	49	26	the	the	DET
ecletica-424	49	27	carbonyl	carbonyl	NOUN
ecletica-424	49	28	groups	group	NOUN
ecletica-424	49	29	reacts	react	VERB
ecletica-424	49	30	with	with	ADP
ecletica-424	49	31	one	one	NUM
ecletica-424	49	32	of	of	ADP
ecletica-424	49	33	the	the	DET
ecletica-424	49	34	hydroxyl	hydroxyl	NOUN
ecletica-424	49	35	groups	group	NOUN
ecletica-424	49	36	from	from	ADP
ecletica-424	49	37	the	the	DET
ecletica-424	49	38	other	other	ADJ
ecletica-424	49	39	end	end	NOUN
ecletica-424	49	40	of	of	ADP
ecletica-424	49	41	the	the	DET
ecletica-424	49	42	molecule	molecule	NOUN
ecletica-424	49	43	.	.	PUNCT
ecletica-424	50	1	as	as	SCONJ
ecletica-424	50	2	shown	show	VERB
ecletica-424	50	3	in	in	ADP
ecletica-424	50	4	figure	figure	NOUN
ecletica-424	50	5	1	1	NUM
ecletica-424	50	6	-	-	SYM
ecletica-424	50	7	b	b	NOUN
ecletica-424	50	8	,	,	PUNCT
ecletica-424	50	9	the	the	DET
ecletica-424	50	10	resulting	result	VERB
ecletica-424	50	11	ring	ring	NOUN
ecletica-424	50	12	contains	contain	VERB
ecletica-424	50	13	5	5	NUM
ecletica-424	50	14	carbon	carbon	NOUN
ecletica-424	50	15	atoms	atom	NOUN
ecletica-424	50	16	and	and	CCONJ
ecletica-424	50	17	one	one	NUM
ecletica-424	50	18	oxygen	oxygen	NOUN
ecletica-424	50	19	atom	atom	NOUN
ecletica-424	50	20	.	.	PUNCT
ecletica-424	51	1	the	the	DET
ecletica-424	51	2	closure	closure	NOUN
ecletica-424	51	3	of	of	ADP
ecletica-424	51	4	the	the	DET
ecletica-424	51	5	linear	linear	ADJ
ecletica-424	51	6	molecules	molecule	NOUN
ecletica-424	51	7	to	to	PART
ecletica-424	51	8	make	make	VERB
ecletica-424	51	9	a	a	DET
ecletica-424	51	10	ring	ring	NOUN
ecletica-424	51	11	creates	create	VERB
ecletica-424	51	12	a	a	DET
ecletica-424	51	13	new	new	ADJ
ecletica-424	51	14	chiral	chiral	ADJ
ecletica-424	51	15	center	center	NOUN
ecletica-424	51	16	at	at	ADP
ecletica-424	51	17	c1	c1	PROPN
ecletica-424	51	18	,	,	PUNCT
ecletica-424	51	19	called	call	VERB
ecletica-424	51	20	the	the	DET
ecletica-424	51	21	anomeric	anomeric	ADJ
ecletica-424	51	22	carbon	carbon	NOUN
ecletica-424	51	23	.	.	PUNCT
ecletica-424	52	1	when	when	SCONJ
ecletica-424	52	2	the	the	DET
ecletica-424	52	3	hydroxyl	hydroxyl	NOUN
ecletica-424	52	4	group	group	NOUN
ecletica-424	52	5	is	be	AUX
ecletica-424	52	6	attached	attach	VERB
ecletica-424	52	7	to	to	ADP
ecletica-424	52	8	c1	c1	PROPN
ecletica-424	52	9	,	,	PUNCT
ecletica-424	52	10	the	the	DET
ecletica-424	52	11	carbon	carbon	NOUN
ecletica-424	52	12	atom	atom	NOUN
ecletica-424	52	13	next	next	ADV
ecletica-424	52	14	to	to	ADP
ecletica-424	52	15	the	the	DET
ecletica-424	52	16	ring	ring	NOUN
ecletica-424	52	17	oxygen	oxygen	NOUN
ecletica-424	52	18	and	and	CCONJ
ecletica-424	52	19	which	which	PRON
ecletica-424	52	20	does	do	AUX
ecletica-424	52	21	not	not	PART
ecletica-424	52	22	carry	carry	VERB
ecletica-424	52	23	the	the	DET
ecletica-424	52	24	methyl	methyl	NOUN
ecletica-424	52	25	group	group	NOUN
ecletica-424	52	26	is	be	AUX
ecletica-424	52	27	in	in	ADP
ecletica-424	52	28	an	an	DET
ecletica-424	52	29	axial	axial	ADJ
ecletica-424	52	30	or	or	CCONJ
ecletica-424	52	31	equatorial	equatorial	ADJ
ecletica-424	52	32	position	position	NOUN
ecletica-424	52	33	with	with	ADP
ecletica-424	52	34	respect	respect	NOUN
ecletica-424	52	35	to	to	ADP
ecletica-424	52	36	the	the	DET
ecletica-424	52	37	ring	ring	NOUN
ecletica-424	52	38	,	,	PUNCT
ecletica-424	52	39	these	these	DET
ecletica-424	52	40	anomers	anomer	NOUN
ecletica-424	52	41	are	be	AUX
ecletica-424	52	42	called	call	VERB
ecletica-424	52	43	α	α	PROPN
ecletica-424	52	44	and	and	CCONJ
ecletica-424	52	45	β	β	X
ecletica-424	52	46	anomers[12	anomers[12	NOUN
ecletica-424	52	47	]	]	X
ecletica-424	52	48	.	.	PUNCT
ecletica-424	53	1	the	the	DET
ecletica-424	53	2	bond	bond	NOUN
ecletica-424	53	3	distances	distance	VERB
ecletica-424	53	4	c	c	NOUN
ecletica-424	53	5	-	-	PUNCT
ecletica-424	53	6	c	c	NOUN
ecletica-424	53	7	,	,	PUNCT
ecletica-424	53	8	c	c	NOUN
ecletica-424	53	9	-	-	PUNCT
ecletica-424	53	10	h	h	NOUN
ecletica-424	53	11	,	,	PUNCT
ecletica-424	53	12	oh	oh	INTJ
ecletica-424	53	13	,	,	PUNCT
ecletica-424	53	14	c	c	PROPN
ecletica-424	53	15	-	-	PUNCT
ecletica-424	53	16	o	o	X
ecletica-424	53	17	and	and	CCONJ
ecletica-424	53	18	c	c	X
ecletica-424	53	19	=	=	NOUN
ecletica-424	53	20	o	o	NOUN
ecletica-424	53	21	were	be	AUX
ecletica-424	53	22	calculated	calculate	VERB
ecletica-424	53	23	and	and	CCONJ
ecletica-424	53	24	presented	present	VERB
ecletica-424	53	25	in	in	ADP
ecletica-424	53	26	tables	table	NOUN
ecletica-424	53	27	1	1	NUM
ecletica-424	53	28	to	to	PART
ecletica-424	53	29	3	3	NUM
ecletica-424	53	30	.	.	PUNCT
ecletica-424	54	1	regarding	regard	VERB
ecletica-424	54	2	am1	am1	PROPN
ecletica-424	54	3	,	,	PUNCT
ecletica-424	54	4	pm3	pm3	PROPN
ecletica-424	54	5	,	,	PUNCT
ecletica-424	54	6	pm5	pm5	VERB
ecletica-424	54	7	and	and	CCONJ
ecletica-424	54	8	mindo	mindo	NOUN
ecletica-424	54	9	results	result	NOUN
ecletica-424	54	10	,	,	PUNCT
ecletica-424	54	11	there	there	PRON
ecletica-424	54	12	is	be	VERB
ecletica-424	54	13	a	a	DET
ecletica-424	54	14	small	small	ADJ
ecletica-424	54	15	variation	variation	NOUN
ecletica-424	54	16	in	in	ADP
ecletica-424	54	17	the	the	DET
ecletica-424	54	18	calculated	calculated	ADJ
ecletica-424	54	19	bond	bond	NOUN
ecletica-424	54	20	lengths	length	NOUN
ecletica-424	54	21	as	as	SCONJ
ecletica-424	54	22	compared	compare	VERB
ecletica-424	54	23	to	to	PART
ecletica-424	54	24	blyp	blyp	VERB
ecletica-424	54	25	/	/	SYM
ecletica-424	54	26	dzvp	dzvp	PROPN
ecletica-424	54	27	.	.	PUNCT
ecletica-424	55	1	17ecl	17ecl	NOUN
ecletica-424	55	2	.	.	PUNCT
ecletica-424	56	1	quím	quím	PROPN
ecletica-424	56	2	.	.	PUNCT
ecletica-424	56	3	,	,	PUNCT
ecletica-424	56	4	são	são	PROPN
ecletica-424	56	5	paulo	paulo	PROPN
ecletica-424	56	6	,	,	PUNCT
ecletica-424	56	7	31(3	31(3	NUM
ecletica-424	56	8	):	):	PUNCT
ecletica-424	56	9	15	15	NUM
ecletica-424	56	10	-	-	SYM
ecletica-424	56	11	21	21	NUM
ecletica-424	56	12	,	,	PUNCT
ecletica-424	56	13	2006	2006	NUM
ecletica-424	56	14	as	as	SCONJ
ecletica-424	56	15	can	can	AUX
ecletica-424	56	16	be	be	AUX
ecletica-424	56	17	seen	see	VERB
ecletica-424	56	18	in	in	ADP
ecletica-424	56	19	table	table	NOUN
ecletica-424	56	20	3	3	NUM
ecletica-424	56	21	the	the	DET
ecletica-424	56	22	two	two	NUM
ecletica-424	56	23	molecules	molecule	NOUN
ecletica-424	56	24	show	show	VERB
ecletica-424	56	25	comparable	comparable	ADJ
ecletica-424	56	26	bond	bond	NOUN
ecletica-424	56	27	distances	distance	NOUN
ecletica-424	56	28	at	at	ADP
ecletica-424	56	29	the	the	DET
ecletica-424	56	30	blyp	blyp	ADJ
ecletica-424	56	31	level	level	NOUN
ecletica-424	56	32	of	of	ADP
ecletica-424	56	33	theory	theory	NOUN
ecletica-424	56	34	.	.	PUNCT
ecletica-424	57	1	the	the	DET
ecletica-424	57	2	calculated	calculated	ADJ
ecletica-424	57	3	bond	bond	NOUN
ecletica-424	57	4	lengths	length	NOUN
ecletica-424	57	5	for	for	ADP
ecletica-424	57	6	d	d	NOUN
ecletica-424	57	7	-	-	PUNCT
ecletica-424	57	8	glucose	glucose	NOUN
ecletica-424	57	9	are	be	AUX
ecletica-424	57	10	1.537	1.537	NUM
ecletica-424	57	11	å	å	PROPN
ecletica-424	57	12	,	,	PUNCT
ecletica-424	57	13	1.120	1.120	NUM
ecletica-424	57	14	å	å	PROPN
ecletica-424	57	15	,	,	PUNCT
ecletica-424	57	16	0.984	0.984	NUM
ecletica-424	57	17	å	å	PROPN
ecletica-424	57	18	,	,	PUNCT
ecletica-424	57	19	1.455	1.455	NUM
ecletica-424	57	20	å	å	PROPN
ecletica-424	57	21	and	and	CCONJ
ecletica-424	57	22	1.235	1.235	NUM
ecletica-424	57	23	å	å	PROPN
ecletica-424	57	24	for	for	ADP
ecletica-424	57	25	the	the	DET
ecletica-424	57	26	bonds	bond	NOUN
ecletica-424	57	27	c	c	NOUN
ecletica-424	57	28	-	-	PUNCT
ecletica-424	57	29	c	c	NOUN
ecletica-424	57	30	of	of	ADP
ecletica-424	57	31	ch2o	ch2o	NOUN
ecletica-424	57	32	,	,	PUNCT
ecletica-424	57	33	c	c	NOUN
ecletica-424	57	34	-	-	PUNCT
ecletica-424	57	35	h	h	NOUN
ecletica-424	57	36	,	,	PUNCT
ecletica-424	57	37	o	o	NOUN
ecletica-424	57	38	-	-	NOUN
ecletica-424	57	39	h	h	ADJ
ecletica-424	57	40	,	,	PUNCT
ecletica-424	57	41	c	c	PROPN
ecletica-424	57	42	-	-	PUNCT
ecletica-424	57	43	o	o	X
ecletica-424	57	44	and	and	CCONJ
ecletica-424	57	45	c	c	NOUN
ecletica-424	57	46	=	=	NOUN
ecletica-424	57	47	o	o	NOUN
ecletica-424	57	48	respectively	respectively	ADV
ecletica-424	57	49	.	.	PUNCT
ecletica-424	58	1	figure	figure	NOUN
ecletica-424	58	2	1	1	NUM
ecletica-424	58	3	.	.	PUNCT
ecletica-424	58	4	structure	structure	NOUN
ecletica-424	58	5	of	of	ADP
ecletica-424	58	6	ad	ad	NOUN
ecletica-424	58	7	-	-	PUNCT
ecletica-424	58	8	glucose	glucose	NOUN
ecletica-424	58	9	,	,	PUNCT
ecletica-424	58	10	bα	bα	PROPN
ecletica-424	58	11	-	-	PUNCT
ecletica-424	58	12	d	d	NOUN
ecletica-424	58	13	-	-	PUNCT
ecletica-424	58	14	glucose	glucose	NOUN
ecletica-424	58	15	,	,	PUNCT
ecletica-424	58	16	cβ	cβ	NOUN
ecletica-424	58	17	-	-	ADJ
ecletica-424	58	18	d	d	NOUN
ecletica-424	58	19	-	-	PUNCT
ecletica-424	58	20	glucose	glucose	NOUN
ecletica-424	58	21	,	,	PUNCT
ecletica-424	58	22	ddfructose	ddfructose	NOUN
ecletica-424	58	23	,	,	PUNCT
ecletica-424	58	24	eα	eα	NOUN
ecletica-424	58	25	-	-	PUNCT
ecletica-424	58	26	dfructose	dfructose	NOUN
ecletica-424	58	27	and	and	CCONJ
ecletica-424	58	28	fβ	fβ	NOUN
ecletica-424	58	29	-	-	PUNCT
ecletica-424	58	30	dfructose	dfructose	ADJ
ecletica-424	58	31	.	.	PUNCT
ecletica-424	58	32	table	table	NOUN
ecletica-424	59	1	1	1	NUM
ecletica-424	59	2	.	.	PUNCT
ecletica-424	59	3	calculated	calculate	VERB
ecletica-424	59	4	bond	bond	NOUN
ecletica-424	59	5	lengths	length	NOUN
ecletica-424	59	6	in	in	ADP
ecletica-424	59	7	angstroms	angstrom	NOUN
ecletica-424	59	8	for	for	ADP
ecletica-424	59	9	d	d	NOUN
ecletica-424	59	10	-	-	PUNCT
ecletica-424	59	11	glucose	glucose	NOUN
ecletica-424	59	12	and	and	CCONJ
ecletica-424	59	13	α	α	NOUN
ecletica-424	59	14	-	-	PUNCT
ecletica-424	59	15	dglucose	dglucose	NOUN
ecletica-424	59	16	,	,	PUNCT
ecletica-424	59	17	which	which	PRON
ecletica-424	59	18	were	be	AUX
ecletica-424	59	19	optimized	optimize	VERB
ecletica-424	59	20	at	at	ADP
ecletica-424	59	21	the	the	DET
ecletica-424	59	22	semiempirical	semiempirical	PROPN
ecletica-424	59	23	am1	am1	PROPN
ecletica-424	59	24	,	,	PUNCT
ecletica-424	59	25	pm3	pm3	PROPN
ecletica-424	59	26	,	,	PUNCT
ecletica-424	59	27	pm5	pm5	VERB
ecletica-424	59	28	,	,	PUNCT
ecletica-424	59	29	mindo	mindo	NOUN
ecletica-424	59	30	as	as	ADV
ecletica-424	59	31	well	well	ADV
ecletica-424	59	32	as	as	ADP
ecletica-424	59	33	density	density	NOUN
ecletica-424	59	34	functional	functional	ADJ
ecletica-424	59	35	method	method	NOUN
ecletica-424	59	36	blyp	blyp	X
ecletica-424	59	37	/	/	SYM
ecletica-424	59	38	dzvp	dzvp	PROPN
ecletica-424	59	39	levels	level	NOUN
ecletica-424	59	40	of	of	ADP
ecletica-424	59	41	theory	theory	NOUN
ecletica-424	59	42	.	.	PUNCT
ecletica-424	60	1	am1	am1	PROPN
ecletica-424	60	2	pm3	pm3	PROPN
ecletica-424	60	3	pm5	pm5	VERB
ecletica-424	60	4	mindo	mindo	NOUN
ecletica-424	60	5	blyp	blyp	ADJ
ecletica-424	60	6	d	d	NOUN
ecletica-424	60	7	:	:	PUNCT
ecletica-424	60	8	open	open	ADJ
ecletica-424	60	9	chain	chain	NOUN
ecletica-424	60	10	d	d	NOUN
ecletica-424	60	11	-	-	PUNCT
ecletica-424	60	12	glucose	glucose	NOUN
ecletica-424	60	13	,	,	PUNCT
ecletica-424	60	14	α	α	NOUN
ecletica-424	60	15	-	-	PUNCT
ecletica-424	60	16	d	d	NOUN
ecletica-424	60	17	:	:	PUNCT
ecletica-424	60	18	α	α	X
ecletica-424	60	19	-	-	PUNCT
ecletica-424	60	20	anomer	anomer	ADJ
ecletica-424	60	21	glucose	glucose	NOUN
ecletica-424	60	22	similarly	similarly	ADV
ecletica-424	60	23	the	the	DET
ecletica-424	60	24	calculated	calculated	ADJ
ecletica-424	60	25	distances	distance	NOUN
ecletica-424	60	26	for	for	ADP
ecletica-424	60	27	the	the	DET
ecletica-424	60	28	same	same	ADJ
ecletica-424	60	29	bonds	bond	NOUN
ecletica-424	60	30	for	for	ADP
ecletica-424	60	31	d	d	NOUN
ecletica-424	60	32	-	-	PUNCT
ecletica-424	60	33	fructose	fructose	NOUN
ecletica-424	60	34	are	be	AUX
ecletica-424	60	35	1.529	1.529	NUM
ecletica-424	60	36	å	å	PROPN
ecletica-424	60	37	,	,	PUNCT
ecletica-424	60	38	1.110	1.110	NUM
ecletica-424	60	39	å	å	PROPN
ecletica-424	60	40	,	,	PUNCT
ecletica-424	60	41	0.987	0.987	NUM
ecletica-424	60	42	å	å	NOUN
ecletica-424	60	43	,	,	PUNCT
ecletica-424	60	44	1.428	1.428	NUM
ecletica-424	60	45	å	å	PROPN
ecletica-424	60	46	and	and	CCONJ
ecletica-424	60	47	1.243	1.243	NUM
ecletica-424	60	48	å	å	NOUN
ecletica-424	60	49	,	,	PUNCT
ecletica-424	60	50	respectively	respectively	ADV
ecletica-424	60	51	.	.	PUNCT
ecletica-424	61	1	comparing	compare	VERB
ecletica-424	61	2	between	between	ADP
ecletica-424	61	3	d	d	NOUN
ecletica-424	61	4	-	-	NOUN
ecletica-424	61	5	glucose	glucose	NOUN
ecletica-424	61	6	and	and	CCONJ
ecletica-424	61	7	d	d	NOUN
ecletica-424	61	8	-	-	PUNCT
ecletica-424	61	9	fructose	fructose	ADJ
ecletica-424	61	10	structures	structure	NOUN
ecletica-424	61	11	one	one	PRON
ecletica-424	61	12	can	can	AUX
ecletica-424	61	13	observe	observe	VERB
ecletica-424	61	14	a	a	DET
ecletica-424	61	15	similarity	similarity	NOUN
ecletica-424	61	16	in	in	ADP
ecletica-424	61	17	the	the	DET
ecletica-424	61	18	calculated	calculated	ADJ
ecletica-424	61	19	bond	bond	NOUN
ecletica-424	61	20	distances	distance	NOUN
ecletica-424	61	21	.	.	PUNCT
ecletica-424	62	1	as	as	SCONJ
ecletica-424	62	2	shown	show	VERB
ecletica-424	62	3	in	in	ADP
ecletica-424	62	4	table	table	NOUN
ecletica-424	62	5	3	3	NUM
ecletica-424	62	6	a	a	DET
ecletica-424	62	7	slight	slight	ADJ
ecletica-424	62	8	change	change	NOUN
ecletica-424	62	9	in	in	ADP
ecletica-424	62	10	the	the	DET
ecletica-424	62	11	structure	structure	NOUN
ecletica-424	62	12	is	be	AUX
ecletica-424	62	13	noticed	notice	VERB
ecletica-424	62	14	as	as	ADP
ecletica-424	62	15	a	a	DET
ecletica-424	62	16	result	result	NOUN
ecletica-424	62	17	of	of	ADP
ecletica-424	62	18	changing	change	VERB
ecletica-424	62	19	open	open	ADJ
ecletica-424	62	20	chain	chain	NOUN
ecletica-424	62	21	into	into	ADP
ecletica-424	62	22	anomeric	anomeric	NOUN
ecletica-424	62	23	.	.	PUNCT
ecletica-424	63	1	momany[13	momany[13	PROPN
ecletica-424	63	2	]	]	PUNCT
ecletica-424	63	3	studied	study	VERB
ecletica-424	63	4	the	the	DET
ecletica-424	63	5	effect	effect	NOUN
ecletica-424	63	6	of	of	ADP
ecletica-424	63	7	hydration	hydration	NOUN
ecletica-424	63	8	on	on	ADP
ecletica-424	63	9	the	the	DET
ecletica-424	63	10	α	α	NOUN
ecletica-424	63	11	-	-	PUNCT
ecletica-424	63	12	d	d	ADJ
ecletica-424	63	13	glucopyrnose	glucopyrnose	NOUN
ecletica-424	63	14	.	.	PUNCT
ecletica-424	64	1	it	it	PRON
ecletica-424	64	2	is	be	AUX
ecletica-424	64	3	stated	state	VERB
ecletica-424	64	4	that	that	SCONJ
ecletica-424	64	5	,	,	PUNCT
ecletica-424	64	6	although	although	SCONJ
ecletica-424	64	7	monohydrated	monohydrate	VERB
ecletica-424	64	8	β	β	X
ecletica-424	64	9	-	-	PROPN
ecletica-424	64	10	d	d	PROPN
ecletica-424	64	11	glucopyranose	glucopyranose	NOUN
ecletica-424	64	12	has	have	VERB
ecletica-424	64	13	only	only	ADV
ecletica-424	64	14	onewater	onewater	ADJ
ecletica-424	64	15	molecule	molecule	NOUN
ecletica-424	64	16	good	good	ADJ
ecletica-424	64	17	geometries	geometry	NOUN
ecletica-424	64	18	are	be	AUX
ecletica-424	64	19	obtained	obtain	VERB
ecletica-424	64	20	for	for	ADP
ecletica-424	64	21	this	this	DET
ecletica-424	64	22	structure	structure	NOUN
ecletica-424	64	23	.	.	PUNCT
ecletica-424	65	1	it	it	PRON
ecletica-424	65	2	is	be	AUX
ecletica-424	65	3	proposed	propose	VERB
ecletica-424	65	4	that	that	SCONJ
ecletica-424	65	5	,	,	PUNCT
ecletica-424	65	6	both	both	PRON
ecletica-424	65	7	of	of	ADP
ecletica-424	65	8	α	α	PROPN
ecletica-424	65	9	and	and	CCONJ
ecletica-424	65	10	β	β	PROPN
ecletica-424	65	11	anomers	anomer	NOUN
ecletica-424	65	12	can	can	AUX
ecletica-424	65	13	be	be	AUX
ecletica-424	65	14	studied	study	VERB
ecletica-424	65	15	in	in	ADP
ecletica-424	65	16	its	its	PRON
ecletica-424	65	17	monohydrate	monohydrate	ADJ
ecletica-424	65	18	form	form	NOUN
ecletica-424	65	19	.	.	PUNCT
ecletica-424	66	1	at	at	ADP
ecletica-424	66	2	this	this	DET
ecletica-424	66	3	level	level	NOUN
ecletica-424	66	4	of	of	ADP
ecletica-424	66	5	theory	theory	NOUN
ecletica-424	66	6	α	α	PROPN
ecletica-424	66	7	-	-	ADJ
ecletica-424	66	8	anomer	anomer	ADJ
ecletica-424	66	9	monohydrate	monohydrate	NOUN
ecletica-424	66	10	is	be	AUX
ecletica-424	66	11	unstable	unstable	ADJ
ecletica-424	66	12	and	and	CCONJ
ecletica-424	66	13	no	no	DET
ecletica-424	66	14	optimal	optimal	ADJ
ecletica-424	66	15	structure	structure	NOUN
ecletica-424	66	16	is	be	AUX
ecletica-424	66	17	found	find	VERB
ecletica-424	66	18	.	.	PUNCT
ecletica-424	67	1	on	on	ADP
ecletica-424	67	2	the	the	DET
ecletica-424	67	3	other	other	ADJ
ecletica-424	67	4	hand	hand	NOUN
ecletica-424	67	5	,	,	PUNCT
ecletica-424	67	6	the	the	DET
ecletica-424	67	7	optimum	optimum	ADJ
ecletica-424	67	8	structure	structure	NOUN
ecletica-424	67	9	of	of	ADP
ecletica-424	67	10	β	β	NOUN
ecletica-424	67	11	-	-	ADJ
ecletica-424	67	12	anomer	anomer	ADJ
ecletica-424	67	13	monohydrate	monohydrate	PROPN
ecletica-424	67	14	has	have	AUX
ecletica-424	67	15	been	be	AUX
ecletica-424	67	16	found	find	VERB
ecletica-424	67	17	.	.	PUNCT
ecletica-424	68	1	as	as	SCONJ
ecletica-424	68	2	seen	see	VERB
ecletica-424	68	3	in	in	ADP
ecletica-424	68	4	table	table	NOUN
ecletica-424	68	5	3	3	NUM
ecletica-424	68	6	,	,	PUNCT
ecletica-424	68	7	it	it	PRON
ecletica-424	68	8	is	be	AUX
ecletica-424	68	9	clear	clear	ADJ
ecletica-424	68	10	that	that	SCONJ
ecletica-424	68	11	solution	solution	NOUN
ecletica-424	68	12	phase	phase	NOUN
ecletica-424	68	13	is	be	AUX
ecletica-424	68	14	slightly	slightly	ADV
ecletica-424	68	15	lower	low	ADJ
ecletica-424	68	16	than	than	ADP
ecletica-424	68	17	gas	gas	NOUN
ecletica-424	68	18	phase	phase	NOUN
ecletica-424	68	19	.	.	PUNCT
ecletica-424	69	1	it	it	PRON
ecletica-424	69	2	seems	seem	VERB
ecletica-424	69	3	to	to	PART
ecletica-424	69	4	be	be	AUX
ecletica-424	69	5	that	that	SCONJ
ecletica-424	69	6	the	the	DET
ecletica-424	69	7	molecules	molecule	NOUN
ecletica-424	69	8	in	in	ADP
ecletica-424	69	9	gas	gas	NOUN
ecletica-424	69	10	phase	phase	NOUN
ecletica-424	69	11	are	be	AUX
ecletica-424	69	12	rearranged	rearrange	VERB
ecletica-424	69	13	so	so	SCONJ
ecletica-424	69	14	that	that	SCONJ
ecletica-424	69	15	their	their	PRON
ecletica-424	69	16	bonds	bond	NOUN
ecletica-424	69	17	are	be	AUX
ecletica-424	69	18	enlarged	enlarge	VERB
ecletica-424	69	19	slightly	slightly	ADV
ecletica-424	69	20	as	as	SCONJ
ecletica-424	69	21	compared	compare	VERB
ecletica-424	69	22	with	with	ADP
ecletica-424	69	23	monohydrate	monohydrate	ADJ
ecletica-424	69	24	structure	structure	NOUN
ecletica-424	69	25	.	.	PUNCT
ecletica-424	70	1	infrared	infrared	PROPN
ecletica-424	70	2	spectra	spectra	PROPN
ecletica-424	70	3	:	:	PUNCT
ecletica-424	70	4	assignments	assignment	NOUN
ecletica-424	70	5	of	of	ADP
ecletica-424	70	6	infrared	infrared	ADJ
ecletica-424	70	7	frequencies	frequency	NOUN
ecletica-424	70	8	are	be	AUX
ecletica-424	70	9	achieved	achieve	VERB
ecletica-424	70	10	by	by	ADP
ecletica-424	70	11	comparing	compare	VERB
ecletica-424	70	12	of	of	ADP
ecletica-424	70	13	the	the	DET
ecletica-424	70	14	band	band	NOUN
ecletica-424	70	15	positions	position	NOUN
ecletica-424	70	16	and	and	CCONJ
ecletica-424	70	17	intensities	intensity	NOUN
ecletica-424	70	18	observed	observe	VERB
ecletica-424	70	19	in	in	ADP
ecletica-424	70	20	ir	ir	PROPN
ecletica-424	70	21	spectra	spectra	NOUN
ecletica-424	70	22	with	with	ADP
ecletica-424	70	23	wavenumbers	wavenumber	NOUN
ecletica-424	70	24	and	and	CCONJ
ecletica-424	70	25	intensities	intensity	NOUN
ecletica-424	70	26	from	from	ADP
ecletica-424	70	27	molecular	molecular	ADJ
ecletica-424	70	28	modeling	modeling	NOUN
ecletica-424	70	29	calculations	calculation	NOUN
ecletica-424	70	30	.	.	PUNCT
ecletica-424	71	1	as	as	SCONJ
ecletica-424	71	2	seen	see	VERB
ecletica-424	71	3	in	in	ADP
ecletica-424	71	4	table	table	NOUN
ecletica-424	71	5	4	4	NUM
ecletica-424	71	6	there	there	PRON
ecletica-424	71	7	are	be	VERB
ecletica-424	71	8	similarities	similarity	NOUN
ecletica-424	71	9	in	in	ADP
ecletica-424	71	10	vibrational	vibrational	ADJ
ecletica-424	71	11	spectra	spectra	NOUN
ecletica-424	71	12	of	of	ADP
ecletica-424	71	13	both	both	CCONJ
ecletica-424	71	14	d	d	NOUN
ecletica-424	71	15	-	-	PUNCT
ecletica-424	71	16	glucose	glucose	NOUN
ecletica-424	71	17	and	and	CCONJ
ecletica-424	71	18	d	d	NOUN
ecletica-424	71	19	-	-	PUNCT
ecletica-424	71	20	fructose	fructose	NOUN
ecletica-424	71	21	.	.	PUNCT
ecletica-424	72	1	the	the	DET
ecletica-424	72	2	spectra	spectra	NOUN
ecletica-424	72	3	can	can	AUX
ecletica-424	72	4	be	be	AUX
ecletica-424	72	5	assigned	assign	VERB
ecletica-424	72	6	generally	generally	ADV
ecletica-424	72	7	as	as	ADP
ecletica-424	72	8	in	in	ADP
ecletica-424	72	9	the	the	DET
ecletica-424	72	10	following	following	NOUN
ecletica-424	72	11	:	:	PUNCT
ecletica-424	72	12	the	the	DET
ecletica-424	72	13	oh	oh	INTJ
ecletica-424	72	14	vibrational	vibrational	NOUN
ecletica-424	72	15	stretching	stretching	NOUN
ecletica-424	72	16	is	be	AUX
ecletica-424	72	17	calculated	calculate	VERB
ecletica-424	72	18	to	to	PART
ecletica-424	72	19	be	be	AUX
ecletica-424	72	20	in	in	ADP
ecletica-424	72	21	the	the	DET
ecletica-424	72	22	region	region	NOUN
ecletica-424	72	23	3876	3876	NUM
ecletica-424	72	24	to	to	ADP
ecletica-424	72	25	3005	3005	NUM
ecletica-424	72	26	cm-1	cm-1	PROPN
ecletica-424	72	27	,	,	PUNCT
ecletica-424	72	28	then	then	ADV
ecletica-424	72	29	the	the	DET
ecletica-424	72	30	ch	ch	NOUN
ecletica-424	72	31	vibrations	vibration	VERB
ecletica-424	72	32	up	up	ADP
ecletica-424	72	33	to	to	ADP
ecletica-424	72	34	2061	2061	NUM
ecletica-424	72	35	cm-1	cm-1	NOUN
ecletica-424	72	36	.	.	PUNCT
ecletica-424	73	1	the	the	DET
ecletica-424	73	2	18	18	NUM
ecletica-424	73	3	ecl	ecl	PROPN
ecletica-424	73	4	.	.	PROPN
ecletica-424	73	5	quím	quím	PROPN
ecletica-424	73	6	.	.	PUNCT
ecletica-424	73	7	,	,	PUNCT
ecletica-424	73	8	são	são	PROPN
ecletica-424	73	9	paulo	paulo	PROPN
ecletica-424	73	10	,	,	PUNCT
ecletica-424	73	11	31(3	31(3	NUM
ecletica-424	73	12	):	):	PUNCT
ecletica-424	73	13	15	15	NUM
ecletica-424	73	14	-	-	SYM
ecletica-424	73	15	21	21	NUM
ecletica-424	73	16	,	,	PUNCT
ecletica-424	73	17	2006	2006	NUM
ecletica-424	73	18	table	table	NOUN
ecletica-424	73	19	2.calculated	2.calculated	NUM
ecletica-424	73	20	bond	bond	NOUN
ecletica-424	73	21	lengths	length	NOUN
ecletica-424	73	22	in	in	ADP
ecletica-424	73	23	angstroms	angstrom	NOUN
ecletica-424	73	24	for	for	ADP
ecletica-424	73	25	d	d	NOUN
ecletica-424	73	26	-	-	PUNCT
ecletica-424	73	27	fructose	fructose	NOUN
ecletica-424	73	28	and	and	CCONJ
ecletica-424	73	29	α	α	PROPN
ecletica-424	73	30	-	-	PUNCT
ecletica-424	73	31	d	d	NOUN
ecletica-424	73	32	-	-	PUNCT
ecletica-424	73	33	fructose	fructose	NOUN
ecletica-424	73	34	,	,	PUNCT
ecletica-424	73	35	which	which	PRON
ecletica-424	73	36	optimized	optimize	VERB
ecletica-424	73	37	at	at	ADP
ecletica-424	73	38	the	the	DET
ecletica-424	73	39	semiempirical	semiempirical	PROPN
ecletica-424	73	40	am1	am1	PROPN
ecletica-424	73	41	,	,	PUNCT
ecletica-424	73	42	pm3	pm3	PROPN
ecletica-424	73	43	,	,	PUNCT
ecletica-424	73	44	pm5	pm5	VERB
ecletica-424	73	45	,	,	PUNCT
ecletica-424	73	46	mindo	mindo	NOUN
ecletica-424	73	47	as	as	ADV
ecletica-424	73	48	well	well	ADV
ecletica-424	73	49	as	as	ADP
ecletica-424	73	50	density	density	NOUN
ecletica-424	73	51	functional	functional	ADJ
ecletica-424	73	52	method	method	NOUN
ecletica-424	73	53	blyp	blyp	X
ecletica-424	73	54	/	/	SYM
ecletica-424	73	55	dzvp	dzvp	PROPN
ecletica-424	73	56	levels	level	NOUN
ecletica-424	73	57	of	of	ADP
ecletica-424	73	58	theory	theory	NOUN
ecletica-424	73	59	.	.	PUNCT
ecletica-424	74	1	table	table	NOUN
ecletica-424	75	1	3	3	NUM
ecletica-424	75	2	.	.	X
ecletica-424	75	3	comparison	comparison	NOUN
ecletica-424	75	4	between	between	ADP
ecletica-424	75	5	bond	bond	NOUN
ecletica-424	75	6	lengths	length	NOUN
ecletica-424	75	7	in	in	ADP
ecletica-424	75	8	angstroms	angstrom	NOUN
ecletica-424	75	9	for	for	ADP
ecletica-424	75	10	glucose	glucose	NOUN
ecletica-424	75	11	and	and	CCONJ
ecletica-424	75	12	fructose	fructose	NOUN
ecletica-424	75	13	which	which	PRON
ecletica-424	75	14	re	re	VERB
ecletica-424	75	15	calculated	calculate	VERB
ecletica-424	75	16	at	at	ADP
ecletica-424	75	17	the	the	DET
ecletica-424	75	18	density	density	NOUN
ecletica-424	75	19	functional	functional	ADJ
ecletica-424	75	20	theory	theory	NOUN
ecletica-424	75	21	blyp	blyp	PROPN
ecletica-424	75	22	/	/	SYM
ecletica-424	75	23	dzvp	dzvp	PROPN
ecletica-424	75	24	level	level	NOUN
ecletica-424	75	25	of	of	ADP
ecletica-424	75	26	theory	theory	NOUN
ecletica-424	75	27	.	.	PUNCT
ecletica-424	76	1	am1	am1	PROPN
ecletica-424	76	2	pm3	pm3	PROPN
ecletica-424	76	3	pm5	pm5	VERB
ecletica-424	76	4	mindo	mindo	NOUN
ecletica-424	76	5	blyp	blyp	ADJ
ecletica-424	76	6	d	d	NOUN
ecletica-424	76	7	:	:	PUNCT
ecletica-424	76	8	open	open	ADJ
ecletica-424	76	9	chain	chain	NOUN
ecletica-424	76	10	d	d	NOUN
ecletica-424	76	11	-	-	PUNCT
ecletica-424	76	12	fructose	fructose	ADJ
ecletica-424	76	13	,	,	PUNCT
ecletica-424	76	14	α	α	NOUN
ecletica-424	76	15	-	-	PUNCT
ecletica-424	76	16	d	d	NOUN
ecletica-424	76	17	:	:	PUNCT
ecletica-424	76	18	α	α	X
ecletica-424	76	19	-	-	PUNCT
ecletica-424	76	20	anomer	anomer	ADJ
ecletica-424	76	21	glucose	glucose	NOUN
ecletica-424	76	22	bond	bond	NOUN
ecletica-424	76	23	distance	distance	NOUN
ecletica-424	76	24	glucose	glucose	NOUN
ecletica-424	77	1	fructose	fructose	ADJ
ecletica-424	77	2	d	d	NOUN
ecletica-424	77	3	:	:	PUNCT
ecletica-424	77	4	open	open	ADJ
ecletica-424	77	5	chain	chain	NOUN
ecletica-424	77	6	,	,	PUNCT
ecletica-424	77	7	α	α	X
ecletica-424	77	8	-	-	PUNCT
ecletica-424	77	9	d	d	NOUN
ecletica-424	77	10	:	:	PUNCT
ecletica-424	77	11	αanomer	αanomer	NOUN
ecletica-424	77	12	and	and	CCONJ
ecletica-424	77	13	β	β	NOUN
ecletica-424	77	14	-	-	PUNCT
ecletica-424	77	15	dm	dm	ADJ
ecletica-424	77	16	:	:	PUNCT
ecletica-424	77	17	β	β	X
ecletica-424	77	18	-	-	PUNCT
ecletica-424	77	19	anomer	anomer	ADJ
ecletica-424	77	20	monohydrate	monohydrate	PROPN
ecletica-424	77	21	c	c	PROPN
ecletica-424	77	22	=	=	NOUN
ecletica-424	77	23	o	o	NOUN
ecletica-424	77	24	stretching	stretching	NOUN
ecletica-424	77	25	is	be	AUX
ecletica-424	77	26	calculated	calculate	VERB
ecletica-424	77	27	from	from	ADP
ecletica-424	77	28	1849	1849	NUM
ecletica-424	77	29	to	to	ADP
ecletica-424	77	30	1634	1634	NUM
ecletica-424	77	31	cm-1	cm-1	NOUN
ecletica-424	77	32	.	.	PUNCT
ecletica-424	78	1	a	a	DET
ecletica-424	78	2	combination	combination	NOUN
ecletica-424	78	3	band	band	NOUN
ecletica-424	78	4	of	of	ADP
ecletica-424	78	5	och	och	NUM
ecletica-424	78	6	and	and	CCONJ
ecletica-424	78	7	coh	coh	NOUN
ecletica-424	78	8	deformation	deformation	NOUN
ecletica-424	78	9	is	be	AUX
ecletica-424	78	10	calculated	calculate	VERB
ecletica-424	78	11	from	from	ADP
ecletica-424	78	12	1526	1526	NUM
ecletica-424	78	13	to	to	ADP
ecletica-424	78	14	1347	1347	NUM
ecletica-424	78	15	cm-1	cm-1	NOUN
ecletica-424	78	16	.	.	PUNCT
ecletica-424	79	1	then	then	ADV
ecletica-424	79	2	the	the	DET
ecletica-424	79	3	in	in	ADJ
ecletica-424	79	4	plane	plane	NOUN
ecletica-424	79	5	ch	ch	NOUN
ecletica-424	79	6	and	and	CCONJ
ecletica-424	79	7	oh	oh	INTJ
ecletica-424	79	8	deformation	deformation	NOUN
ecletica-424	79	9	from	from	ADP
ecletica-424	79	10	1362	1362	NUM
ecletica-424	79	11	to	to	ADP
ecletica-424	79	12	1191	1191	NUM
ecletica-424	79	13	cm-1can	cm-1can	AUX
ecletica-424	79	14	be	be	AUX
ecletica-424	79	15	observed	observe	VERB
ecletica-424	79	16	.	.	PUNCT
ecletica-424	80	1	a	a	DET
ecletica-424	80	2	band	band	NOUN
ecletica-424	80	3	of	of	ADP
ecletica-424	80	4	co	co	NOUN
ecletica-424	80	5	and	and	CCONJ
ecletica-424	80	6	cc	cc	ADP
ecletica-424	80	7	stretching	stretching	NOUN
ecletica-424	80	8	is	be	AUX
ecletica-424	80	9	regarded	regard	VERB
ecletica-424	80	10	from	from	ADP
ecletica-424	80	11	1191	1191	NUM
ecletica-424	80	12	to	to	ADP
ecletica-424	80	13	995	995	NUM
ecletica-424	80	14	cm-1	cm-1	NOUN
ecletica-424	80	15	.	.	PUNCT
ecletica-424	81	1	the	the	DET
ecletica-424	81	2	following	follow	VERB
ecletica-424	81	3	spectra	spectra	NOUN
ecletica-424	81	4	are	be	AUX
ecletica-424	81	5	assigned	assign	VERB
ecletica-424	81	6	as	as	ADP
ecletica-424	81	7	19ecl	19ecl	NOUN
ecletica-424	81	8	.	.	PUNCT
ecletica-424	82	1	quím	quím	PROPN
ecletica-424	82	2	.	.	PUNCT
ecletica-424	83	1	,	,	PUNCT
ecletica-424	83	2	são	são	PROPN
ecletica-424	83	3	paulo	paulo	PROPN
ecletica-424	83	4	,	,	PUNCT
ecletica-424	83	5	31(3	31(3	NUM
ecletica-424	83	6	):	):	PUNCT
ecletica-424	83	7	15	15	NUM
ecletica-424	83	8	-	-	SYM
ecletica-424	83	9	21	21	NUM
ecletica-424	83	10	,	,	PUNCT
ecletica-424	83	11	2006	2006	NUM
ecletica-424	83	12	figure	figure	NOUN
ecletica-424	83	13	2	2	NUM
ecletica-424	83	14	.	.	NOUN
ecletica-424	83	15	ftir	ftir	PROPN
ecletica-424	83	16	absorption	absorption	PROPN
ecletica-424	83	17	spectra	spectra	NOUN
ecletica-424	83	18	of	of	ADP
ecletica-424	83	19	both	both	DET
ecletica-424	83	20	α	α	NOUN
ecletica-424	83	21	-	-	PUNCT
ecletica-424	83	22	dglucose	dglucose	NOUN
ecletica-424	83	23	and	and	CCONJ
ecletica-424	83	24	β	β	AUX
ecletica-424	83	25	-	-	ADJ
ecletica-424	83	26	d	d	NOUN
ecletica-424	83	27	-	-	PUNCT
ecletica-424	83	28	fructose	fructose	ADJ
ecletica-424	83	29	.	.	PUNCT
ecletica-424	83	30	table	table	NOUN
ecletica-424	83	31	4	4	NUM
ecletica-424	83	32	.	.	PUNCT
ecletica-424	83	33	calculated	calculate	VERB
ecletica-424	83	34	infrared	infrared	ADJ
ecletica-424	83	35	frequencies	frequency	NOUN
ecletica-424	83	36	in	in	ADP
ecletica-424	83	37	cm-1	cm-1	PROPN
ecletica-424	83	38	of	of	ADP
ecletica-424	83	39	the	the	DET
ecletica-424	83	40	main	main	ADJ
ecletica-424	83	41	characteristic	characteristic	ADJ
ecletica-424	83	42	absorption	absorption	NOUN
ecletica-424	83	43	bands	band	NOUN
ecletica-424	83	44	of	of	ADP
ecletica-424	83	45	open	open	ADJ
ecletica-424	83	46	chain	chain	NOUN
ecletica-424	83	47	d	d	NOUN
ecletica-424	83	48	-	-	PUNCT
ecletica-424	83	49	glucose	glucose	NOUN
ecletica-424	83	50	and	and	CCONJ
ecletica-424	83	51	d	d	NOUN
ecletica-424	83	52	-	-	PUNCT
ecletica-424	83	53	fructose	fructose	NOUN
ecletica-424	83	54	.	.	PUNCT
ecletica-424	84	1	ch	ch	NOUN
ecletica-424	84	2	deformation	deformation	NOUN
ecletica-424	84	3	followed	follow	VERB
ecletica-424	84	4	by	by	ADP
ecletica-424	84	5	ch2	ch2	PROPN
ecletica-424	84	6	vibration	vibration	NOUN
ecletica-424	84	7	.	.	PUNCT
ecletica-424	85	1	as	as	ADP
ecletica-424	85	2	a	a	DET
ecletica-424	85	3	general	general	ADJ
ecletica-424	85	4	trend	trend	NOUN
ecletica-424	85	5	,	,	PUNCT
ecletica-424	85	6	semiempirical	semiempirical	ADJ
ecletica-424	85	7	methods	method	NOUN
ecletica-424	85	8	am1	am1	PROPN
ecletica-424	85	9	,	,	PUNCT
ecletica-424	85	10	pm3	pm3	PROPN
ecletica-424	85	11	,	,	PUNCT
ecletica-424	85	12	pm5	pm5	VERB
ecletica-424	85	13	and	and	CCONJ
ecletica-424	85	14	mindo	mindo	NOUN
ecletica-424	85	15	gave	give	VERB
ecletica-424	85	16	higher	high	ADJ
ecletica-424	85	17	calculated	calculate	VERB
ecletica-424	85	18	frequencies	frequency	NOUN
ecletica-424	85	19	as	as	ADP
ecletica-424	85	20	compared	compare	VERB
ecletica-424	85	21	to	to	ADP
ecletica-424	85	22	scaled	scale	VERB
ecletica-424	85	23	dft	dft	PROPN
ecletica-424	85	24	method	method	NOUN
ecletica-424	85	25	.	.	PUNCT
ecletica-424	86	1	this	this	PRON
ecletica-424	86	2	can	can	AUX
ecletica-424	86	3	be	be	AUX
ecletica-424	86	4	attributed	attribute	VERB
ecletica-424	86	5	to	to	ADP
ecletica-424	86	6	the	the	DET
ecletica-424	86	7	effect	effect	NOUN
ecletica-424	86	8	of	of	ADP
ecletica-424	86	9	electron	electron	NOUN
ecletica-424	86	10	correlation	correlation	NOUN
ecletica-424	86	11	,	,	PUNCT
ecletica-424	86	12	which	which	PRON
ecletica-424	86	13	is	be	AUX
ecletica-424	86	14	not	not	PART
ecletica-424	86	15	included	include	VERB
ecletica-424	86	16	in	in	ADP
ecletica-424	86	17	semiempirical	semiempirical	ADJ
ecletica-424	86	18	calculations	calculation	NOUN
ecletica-424	86	19	.	.	PUNCT
ecletica-424	87	1	to	to	PART
ecletica-424	87	2	compare	compare	VERB
ecletica-424	87	3	the	the	DET
ecletica-424	87	4	calculated	calculate	VERB
ecletica-424	87	5	spectra	spectra	NOUN
ecletica-424	87	6	with	with	ADP
ecletica-424	87	7	the	the	DET
ecletica-424	87	8	experimental	experimental	ADJ
ecletica-424	87	9	ones	one	NOUN
ecletica-424	87	10	,	,	PUNCT
ecletica-424	87	11	ftir	ftir	PROPN
ecletica-424	87	12	spectroscopy	spectroscopy	NOUN
ecletica-424	87	13	can	can	AUX
ecletica-424	87	14	be	be	AUX
ecletica-424	87	15	used	use	VERB
ecletica-424	87	16	to	to	PART
ecletica-424	87	17	study	study	VERB
ecletica-424	87	18	the	the	DET
ecletica-424	87	19	two	two	NUM
ecletica-424	87	20	molecules	molecule	NOUN
ecletica-424	87	21	.	.	PUNCT
ecletica-424	88	1	figure	figure	NOUN
ecletica-424	88	2	2	2	NUM
ecletica-424	88	3	shows	show	VERB
ecletica-424	88	4	the	the	DET
ecletica-424	88	5	ftir	ftir	PROPN
ecletica-424	88	6	spectra	spectra	PROPN
ecletica-424	88	7	of	of	ADP
ecletica-424	88	8	α	α	PROPN
ecletica-424	88	9	-	-	PUNCT
ecletica-424	88	10	d	d	NOUN
ecletica-424	88	11	-	-	PUNCT
ecletica-424	88	12	glucose	glucose	NOUN
ecletica-424	88	13	and	and	CCONJ
ecletica-424	88	14	βd	βd	NOUN
ecletica-424	88	15	-	-	PUNCT
ecletica-424	88	16	fructose	fructose	NOUN
ecletica-424	88	17	respectively	respectively	ADV
ecletica-424	88	18	.	.	PUNCT
ecletica-424	89	1	table	table	NOUN
ecletica-424	89	2	5	5	NUM
ecletica-424	89	3	shows	show	VERB
ecletica-424	89	4	the	the	DET
ecletica-424	89	5	assignment	assignment	NOUN
ecletica-424	89	6	of	of	ADP
ecletica-424	89	7	the	the	DET
ecletica-424	89	8	main	main	ADJ
ecletica-424	89	9	characteristic	characteristic	ADJ
ecletica-424	89	10	absorption	absorption	NOUN
ecletica-424	89	11	bands	band	NOUN
ecletica-424	89	12	for	for	ADP
ecletica-424	89	13	each	each	PRON
ecletica-424	89	14	of	of	ADP
ecletica-424	89	15	two	two	NUM
ecletica-424	89	16	molecules	molecule	NOUN
ecletica-424	89	17	.	.	PUNCT
ecletica-424	90	1	the	the	DET
ecletica-424	90	2	vibrational	vibrational	ADJ
ecletica-424	90	3	spectra	spectra	NOUN
ecletica-424	90	4	that	that	PRON
ecletica-424	90	5	indicated	indicate	VERB
ecletica-424	90	6	in	in	ADP
ecletica-424	90	7	both	both	PRON
ecletica-424	90	8	figure	figure	NOUN
ecletica-424	90	9	2	2	NUM
ecletica-424	90	10	and	and	CCONJ
ecletica-424	90	11	table	table	NOUN
ecletica-424	90	12	5	5	NUM
ecletica-424	90	13	can	can	AUX
ecletica-424	90	14	be	be	AUX
ecletica-424	90	15	classified	classify	VERB
ecletica-424	90	16	into	into	ADP
ecletica-424	90	17	two	two	NUM
ecletica-424	90	18	main	main	ADJ
ecletica-424	90	19	groups	group	NOUN
ecletica-424	90	20	of	of	ADP
ecletica-424	90	21	spectra	spectra	NOUN
ecletica-424	90	22	.	.	PUNCT
ecletica-424	91	1	the	the	DET
ecletica-424	91	2	region	region	NOUN
ecletica-424	91	3	from	from	ADP
ecletica-424	91	4	600	600	NUM
ecletica-424	91	5	to	to	PART
ecletica-424	91	6	1500	1500	NUM
ecletica-424	91	7	cm-1	cm-1	VERB
ecletica-424	91	8	in	in	ADP
ecletica-424	91	9	which	which	PRON
ecletica-424	91	10	c	c	NOUN
ecletica-424	91	11	-	-	PUNCT
ecletica-424	91	12	o	o	X
ecletica-424	91	13	and	and	CCONJ
ecletica-424	91	14	c	c	NOUN
ecletica-424	91	15	-	-	PUNCT
ecletica-424	91	16	c	c	NOUN
ecletica-424	91	17	groups	group	NOUN
ecletica-424	91	18	vibration	vibration	NOUN
ecletica-424	91	19	modes	mode	NOUN
ecletica-424	91	20	are	be	AUX
ecletica-424	91	21	present	present	ADJ
ecletica-424	91	22	and	and	CCONJ
ecletica-424	91	23	the	the	DET
ecletica-424	91	24	carbohydrates	carbohydrate	NOUN
ecletica-424	91	25	generally	generally	ADV
ecletica-424	91	26	shows	show	VERB
ecletica-424	91	27	their	their	PRON
ecletica-424	91	28	characteristic	characteristic	ADJ
ecletica-424	91	29	bands	band	NOUN
ecletica-424	91	30	.	.	PUNCT
ecletica-424	92	1	on	on	ADP
ecletica-424	92	2	the	the	DET
ecletica-424	92	3	other	other	ADJ
ecletica-424	92	4	hand	hand	NOUN
ecletica-424	92	5	the	the	DET
ecletica-424	92	6	bands	band	NOUN
ecletica-424	92	7	from	from	ADP
ecletica-424	92	8	2900	2900	NUM
ecletica-424	92	9	to	to	ADP
ecletica-424	92	10	3450	3450	NUM
ecletica-424	92	11	cm-1	cm-1	NOUN
ecletica-424	92	12	assigned	assign	VERB
ecletica-424	92	13	to	to	ADP
ecletica-424	92	14	ch	ch	NOUN
ecletica-424	92	15	and	and	CCONJ
ecletica-424	92	16	oh	oh	NUM
ecletica-424	92	17	vibrations	vibration	NOUN
ecletica-424	92	18	groups	group	NOUN
ecletica-424	92	19	.	.	PUNCT
ecletica-424	93	1	α	α	X
ecletica-424	93	2	-	-	PUNCT
ecletica-424	93	3	d	d	NOUN
ecletica-424	93	4	-	-	PUNCT
ecletica-424	93	5	anomer	anomer	NOUN
ecletica-424	93	6	is	be	AUX
ecletica-424	93	7	tested	test	VERB
ecletica-424	93	8	with	with	ADP
ecletica-424	93	9	one	one	NUM
ecletica-424	93	10	water	water	NOUN
ecletica-424	93	11	molecule	molecule	NOUN
ecletica-424	93	12	(	(	PUNCT
ecletica-424	93	13	monohydrate	monohydrate	NOUN
ecletica-424	93	14	form	form	NOUN
ecletica-424	93	15	)	)	PUNCT
ecletica-424	93	16	and	and	CCONJ
ecletica-424	93	17	compared	compare	VERB
ecletica-424	93	18	with	with	ADP
ecletica-424	93	19	both	both	PRON
ecletica-424	93	20	β	β	NOUN
ecletica-424	93	21	-	-	PUNCT
ecletica-424	93	22	anomer	anomer	ADJ
ecletica-424	93	23	as	as	ADV
ecletica-424	93	24	well	well	ADV
ecletica-424	93	25	as	as	ADP
ecletica-424	93	26	am1	am1	PROPN
ecletica-424	93	27	pm3	pm3	PROPN
ecletica-424	93	28	pm5	pm5	VERB
ecletica-424	93	29	mindo	mindo	NOUN
ecletica-424	93	30	blyp	blyp	X
ecletica-424	93	31	/	/	SYM
ecletica-424	93	32	dzvp	dzvp	PROPN
ecletica-424	93	33	d	d	NOUN
ecletica-424	93	34	-	-	PUNCT
ecletica-424	93	35	g	g	NOUN
ecletica-424	93	36	:	:	PUNCT
ecletica-424	93	37	open	open	ADJ
ecletica-424	93	38	chain	chain	NOUN
ecletica-424	93	39	d	d	NOUN
ecletica-424	93	40	-	-	PUNCT
ecletica-424	93	41	glucose	glucose	NOUN
ecletica-424	93	42	and	and	CCONJ
ecletica-424	93	43	d	d	NOUN
ecletica-424	93	44	-	-	PUNCT
ecletica-424	93	45	f	f	NOUN
ecletica-424	93	46	:	:	PUNCT
ecletica-424	93	47	open	open	ADJ
ecletica-424	93	48	chain	chain	NOUN
ecletica-424	93	49	d	d	NOUN
ecletica-424	93	50	-	-	PUNCT
ecletica-424	93	51	fructose	fructose	NOUN
ecletica-424	93	52	.	.	PUNCT
ecletica-424	94	1	experimental	experimental	ADJ
ecletica-424	94	2	ftir	ftir	PROPN
ecletica-424	94	3	frequencies	frequency	NOUN
ecletica-424	94	4	for	for	ADP
ecletica-424	94	5	α	α	NOUN
ecletica-424	94	6	-	-	PUNCT
ecletica-424	94	7	d	d	NOUN
ecletica-424	94	8	-	-	PUNCT
ecletica-424	94	9	anomer	anomer	NOUN
ecletica-424	94	10	.	.	PUNCT
ecletica-424	95	1	it	it	PRON
ecletica-424	95	2	is	be	AUX
ecletica-424	95	3	worth	worth	ADJ
ecletica-424	95	4	to	to	PART
ecletica-424	95	5	mention	mention	VERB
ecletica-424	95	6	that	that	SCONJ
ecletica-424	95	7	,	,	PUNCT
ecletica-424	95	8	the	the	DET
ecletica-424	95	9	β	β	NOUN
ecletica-424	95	10	-	-	ADJ
ecletica-424	95	11	d	d	ADJ
ecletica-424	95	12	-	-	PUNCT
ecletica-424	95	13	anomer	anomer	ADJ
ecletica-424	95	14	assignment	assignment	NOUN
ecletica-424	95	15	is	be	AUX
ecletica-424	95	16	in	in	ADP
ecletica-424	95	17	a	a	DET
ecletica-424	95	18	good	good	ADJ
ecletica-424	95	19	agreement	agreement	NOUN
ecletica-424	95	20	with	with	ADP
ecletica-424	95	21	that	that	PRON
ecletica-424	95	22	presented	present	VERB
ecletica-424	95	23	by	by	ADP
ecletica-424	95	24	guo	guo	PROPN
ecletica-424	95	25	and	and	CCONJ
ecletica-424	95	26	zhang[28	zhang[28	PROPN
ecletica-424	95	27	]	]	PUNCT
ecletica-424	95	28	.	.	PUNCT
ecletica-424	96	1	regarding	regard	VERB
ecletica-424	96	2	the	the	DET
ecletica-424	96	3	results	result	NOUN
ecletica-424	96	4	of	of	ADP
ecletica-424	96	5	α	α	NOUN
ecletica-424	96	6	-	-	PUNCT
ecletica-424	96	7	d	d	NOUN
ecletica-424	96	8	-	-	PUNCT
ecletica-424	96	9	anomer	anomer	ADJ
ecletica-424	96	10	,	,	PUNCT
ecletica-424	96	11	it	it	PRON
ecletica-424	96	12	is	be	AUX
ecletica-424	96	13	clear	clear	ADJ
ecletica-424	96	14	that	that	SCONJ
ecletica-424	96	15	the	the	DET
ecletica-424	96	16	computed	compute	VERB
ecletica-424	96	17	frequencies	frequency	NOUN
ecletica-424	96	18	are	be	AUX
ecletica-424	96	19	in	in	ADP
ecletica-424	96	20	a	a	DET
ecletica-424	96	21	good	good	ADJ
ecletica-424	96	22	agreement	agreement	NOUN
ecletica-424	96	23	with	with	ADP
ecletica-424	96	24	experimental	experimental	ADJ
ecletica-424	96	25	ones	one	NOUN
ecletica-424	96	26	except	except	SCONJ
ecletica-424	96	27	for	for	ADP
ecletica-424	96	28	ch	ch	NOUN
ecletica-424	96	29	and	and	CCONJ
ecletica-424	96	30	oh	oh	NUM
ecletica-424	96	31	region	region	NOUN
ecletica-424	96	32	.	.	PUNCT
ecletica-424	97	1	but	but	CCONJ
ecletica-424	97	2	there	there	PRON
ecletica-424	97	3	is	be	VERB
ecletica-424	97	4	agreement	agreement	NOUN
ecletica-424	97	5	in	in	ADP
ecletica-424	97	6	the	the	DET
ecletica-424	97	7	characteristic	characteristic	ADJ
ecletica-424	97	8	region	region	NOUN
ecletica-424	97	9	of	of	ADP
ecletica-424	97	10	carbohydrate	carbohydrate	NOUN
ecletica-424	97	11	.	.	PUNCT
ecletica-424	98	1	in	in	ADP
ecletica-424	98	2	this	this	DET
ecletica-424	98	3	region	region	NOUN
ecletica-424	98	4	,	,	PUNCT
ecletica-424	98	5	there	there	PRON
ecletica-424	98	6	is	be	VERB
ecletica-424	98	7	a	a	DET
ecletica-424	98	8	good	good	ADJ
ecletica-424	98	9	correlation	correlation	NOUN
ecletica-424	98	10	between	between	ADP
ecletica-424	98	11	both	both	DET
ecletica-424	98	12	α	α	PROPN
ecletica-424	98	13	and	and	CCONJ
ecletica-424	98	14	β	β	X
ecletica-424	98	15	anomer	anomer	NOUN
ecletica-424	98	16	in	in	ADP
ecletica-424	98	17	one	one	NUM
ecletica-424	98	18	hand	hand	NOUN
ecletica-424	98	19	and	and	CCONJ
ecletica-424	98	20	the	the	DET
ecletica-424	98	21	experimental	experimental	ADJ
ecletica-424	98	22	frequencies	frequency	NOUN
ecletica-424	98	23	on	on	ADP
ecletica-424	98	24	the	the	DET
ecletica-424	98	25	other	other	ADJ
ecletica-424	98	26	.	.	PUNCT
ecletica-424	99	1	the	the	DET
ecletica-424	99	2	computed	compute	VERB
ecletica-424	99	3	frequencies	frequency	NOUN
ecletica-424	99	4	of	of	ADP
ecletica-424	99	5	α	α	NOUN
ecletica-424	99	6	-	-	NOUN
ecletica-424	99	7	anomer	anomer	NOUN
ecletica-424	99	8	for	for	ADP
ecletica-424	99	9	both	both	DET
ecletica-424	99	10	glucose	glucose	NOUN
ecletica-424	99	11	and	and	CCONJ
ecletica-424	99	12	fructose	fructose	NOUN
ecletica-424	99	13	are	be	AUX
ecletica-424	99	14	in	in	ADP
ecletica-424	99	15	a	a	DET
ecletica-424	99	16	good	good	ADJ
ecletica-424	99	17	agreement	agreement	NOUN
ecletica-424	99	18	with	with	ADP
ecletica-424	99	19	experimental	experimental	ADJ
ecletica-424	99	20	frequencies	frequency	NOUN
ecletica-424	99	21	for	for	ADP
ecletica-424	99	22	both	both	DET
ecletica-424	99	23	carbohydrate	carbohydrate	ADJ
ecletica-424	99	24	region	region	NOUN
ecletica-424	99	25	as	as	ADV
ecletica-424	99	26	well	well	ADV
ecletica-424	99	27	as	as	ADP
ecletica-424	99	28	oh	oh	INTJ
ecletica-424	99	29	and	and	CCONJ
ecletica-424	99	30	ch	ch	NOUN
ecletica-424	99	31	region	region	NOUN
ecletica-424	99	32	.	.	PUNCT
ecletica-424	100	1	comparing	compare	VERB
ecletica-424	100	2	computed	compute	VERB
ecletica-424	100	3	and	and	CCONJ
ecletica-424	100	4	the	the	DET
ecletica-424	100	5	experimental	experimental	ADJ
ecletica-424	100	6	frequencies	frequency	NOUN
ecletica-424	100	7	one	one	PRON
ecletica-424	100	8	can	can	AUX
ecletica-424	100	9	conclude	conclude	VERB
ecletica-424	100	10	that	that	PRON
ecletica-424	100	11	,	,	PUNCT
ecletica-424	100	12	accurate	accurate	ADJ
ecletica-424	100	13	results	result	NOUN
ecletica-424	100	14	could	could	AUX
ecletica-424	100	15	be	be	AUX
ecletica-424	100	16	achieved	achieve	VERB
ecletica-424	100	17	with	with	ADP
ecletica-424	100	18	scaled	scale	VERB
ecletica-424	100	19	dft	dft	PROPN
ecletica-424	100	20	method	method	PROPN
ecletica-424	100	21	blyp	blyp	PROPN
ecletica-424	100	22	/	/	SYM
ecletica-424	100	23	dzvp	dzvp	PROPN
ecletica-424	100	24	with	with	ADP
ecletica-424	100	25	higher	high	ADJ
ecletica-424	100	26	computation	computation	NOUN
ecletica-424	100	27	time	time	NOUN
ecletica-424	100	28	as	as	ADP
ecletica-424	100	29	compared	compare	VERB
ecletica-424	100	30	to	to	ADP
ecletica-424	100	31	semiempirical	semiempirical	ADJ
ecletica-424	100	32	methods	method	NOUN
ecletica-424	100	33	.	.	PUNCT
ecletica-424	101	1	conclusions	conclusion	NOUN
ecletica-424	101	2	in	in	ADP
ecletica-424	101	3	the	the	DET
ecletica-424	101	4	present	present	ADJ
ecletica-424	101	5	study	study	NOUN
ecletica-424	101	6	molecular	molecular	ADJ
ecletica-424	101	7	models	model	NOUN
ecletica-424	101	8	for	for	ADP
ecletica-424	101	9	two	two	NUM
ecletica-424	101	10	biological	biological	ADJ
ecletica-424	101	11	molecules	molecule	NOUN
ecletica-424	101	12	,	,	PUNCT
ecletica-424	101	13	glucose	glucose	NOUN
ecletica-424	101	14	and	and	CCONJ
ecletica-424	101	15	fructose	fructose	NOUN
ecletica-424	101	16	are	be	AUX
ecletica-424	101	17	presented	present	VERB
ecletica-424	101	18	on	on	ADP
ecletica-424	101	19	the	the	DET
ecletica-424	101	20	basis	basis	NOUN
ecletica-424	101	21	of	of	ADP
ecletica-424	101	22	semiempirical	semiempirical	ADJ
ecletica-424	101	23	and	and	CCONJ
ecletica-424	101	24	dft	dft	PROPN
ecletica-424	101	25	calculations	calculation	NOUN
ecletica-424	101	26	.	.	PUNCT
ecletica-424	102	1	the	the	DET
ecletica-424	102	2	models	model	NOUN
ecletica-424	102	3	present	present	VERB
ecletica-424	102	4	the	the	DET
ecletica-424	102	5	structure	structure	NOUN
ecletica-424	102	6	and	and	CCONJ
ecletica-424	102	7	vibrational	vibrational	ADJ
ecletica-424	102	8	spectra	spectra	NOUN
ecletica-424	102	9	for	for	ADP
ecletica-424	102	10	d	d	NOUN
ecletica-424	102	11	-	-	PUNCT
ecletica-424	102	12	glucose	glucose	NOUN
ecletica-424	102	13	and	and	CCONJ
ecletica-424	102	14	d20	d20	PROPN
ecletica-424	102	15	ecl	ecl	PROPN
ecletica-424	102	16	.	.	PROPN
ecletica-424	102	17	quím	quím	PROPN
ecletica-424	102	18	.	.	PUNCT
ecletica-424	103	1	,	,	PUNCT
ecletica-424	103	2	são	são	PROPN
ecletica-424	103	3	paulo	paulo	PROPN
ecletica-424	103	4	,	,	PUNCT
ecletica-424	103	5	31(3	31(3	NUM
ecletica-424	103	6	):	):	PUNCT
ecletica-424	103	7	15	15	NUM
ecletica-424	103	8	-	-	SYM
ecletica-424	103	9	21	21	NUM
ecletica-424	103	10	,	,	PUNCT
ecletica-424	103	11	2006	2006	NUM
ecletica-424	103	12	table	table	NOUN
ecletica-424	103	13	5	5	NUM
ecletica-424	103	14	.	.	PUNCT
ecletica-424	103	15	comparisons	comparison	NOUN
ecletica-424	103	16	between	between	ADP
ecletica-424	103	17	both	both	CCONJ
ecletica-424	103	18	experimental	experimental	ADJ
ecletica-424	103	19	and	and	CCONJ
ecletica-424	103	20	blyp	blyp	ADJ
ecletica-424	103	21	calculated	calculate	VERB
ecletica-424	103	22	infrared	infrared	ADJ
ecletica-424	103	23	frequencies	frequency	NOUN
ecletica-424	103	24	in	in	ADP
ecletica-424	103	25	cm-1	cm-1	NOUN
ecletica-424	103	26	for	for	ADP
ecletica-424	103	27	both	both	PRON
ecletica-424	103	28	αd	αd	NOUN
ecletica-424	103	29	-	-	PUNCT
ecletica-424	103	30	glucose	glucose	NOUN
ecletica-424	103	31	and	and	CCONJ
ecletica-424	103	32	β	β	NOUN
ecletica-424	103	33	-	-	ADJ
ecletica-424	103	34	d	d	NOUN
ecletica-424	103	35	-	-	PUNCT
ecletica-424	103	36	fructose	fructose	NOUN
ecletica-424	103	37	as	as	ADV
ecletica-424	103	38	well	well	ADV
ecletica-424	103	39	as	as	ADP
ecletica-424	103	40	αd	αd	NOUN
ecletica-424	103	41	-	-	PUNCT
ecletica-424	103	42	glucose	glucose	NOUN
ecletica-424	103	43	and	and	CCONJ
ecletica-424	103	44	β	β	NOUN
ecletica-424	103	45	-	-	ADJ
ecletica-424	103	46	d	d	NOUN
ecletica-424	103	47	-	-	PUNCT
ecletica-424	103	48	fructose	fructose	ADJ
ecletica-424	103	49	monohydrates	monohydrate	NOUN
ecletica-424	103	50	.	.	PUNCT
ecletica-424	104	1	d	d	X
ecletica-424	104	2	-	-	PUNCT
ecletica-424	104	3	glucose	glucose	NOUN
ecletica-424	104	4	d	d	NOUN
ecletica-424	104	5	-	-	PUNCT
ecletica-424	104	6	fructose	fructose	ADJ
ecletica-424	104	7	ftir	ftir	NOUN
ecletica-424	104	8	:	:	PUNCT
ecletica-424	104	9	experimental	experimental	ADJ
ecletica-424	104	10	frequencies	frequency	NOUN
ecletica-424	104	11	,	,	PUNCT
ecletica-424	104	12	α	α	PROPN
ecletica-424	104	13	-	-	PUNCT
ecletica-424	104	14	d	d	NOUN
ecletica-424	104	15	:	:	PUNCT
ecletica-424	104	16	α	α	PROPN
ecletica-424	104	17	-d	-d	PROPN
ecletica-424	104	18	-	-	NOUN
ecletica-424	104	19	anomer	anomer	NOUN
ecletica-424	104	20	,	,	PUNCT
ecletica-424	104	21	β	β	X
ecletica-424	104	22	-	-	PUNCT
ecletica-424	104	23	dm	dm	NOUN
ecletica-424	104	24	:	:	PUNCT
ecletica-424	104	25	β	β	X
ecletica-424	104	26	-d	-d	PROPN
ecletica-424	104	27	-	-	PROPN
ecletica-424	104	28	anomer	anomer	ADJ
ecletica-424	104	29	monohydrate	monohydrate	NOUN
ecletica-424	104	30	.	.	PUNCT
ecletica-424	105	1	fructose	fructose	NOUN
ecletica-424	105	2	in	in	ADP
ecletica-424	105	3	their	their	PRON
ecletica-424	105	4	open	open	ADJ
ecletica-424	105	5	chain	chain	NOUN
ecletica-424	105	6	,	,	PUNCT
ecletica-424	105	7	α	α	NOUN
ecletica-424	105	8	-	-	PUNCT
ecletica-424	105	9	anomer	anomer	ADJ
ecletica-424	105	10	and	and	CCONJ
ecletica-424	105	11	βanomer	βanomer	NOUN
ecletica-424	105	12	monohydrate	monohydrate	NOUN
ecletica-424	105	13	forms	form	NOUN
ecletica-424	105	14	.	.	PUNCT
ecletica-424	106	1	the	the	DET
ecletica-424	106	2	obtained	obtain	VERB
ecletica-424	106	3	result	result	NOUN
ecletica-424	106	4	indicates	indicate	VERB
ecletica-424	106	5	that	that	SCONJ
ecletica-424	106	6	there	there	PRON
ecletica-424	106	7	are	be	VERB
ecletica-424	106	8	similarities	similarity	NOUN
ecletica-424	106	9	in	in	ADP
ecletica-424	106	10	the	the	DET
ecletica-424	106	11	structural	structural	ADJ
ecletica-424	106	12	and	and	CCONJ
ecletica-424	106	13	vibrational	vibrational	ADJ
ecletica-424	106	14	characteristic	characteristic	NOUN
ecletica-424	106	15	of	of	ADP
ecletica-424	106	16	both	both	DET
ecletica-424	106	17	molecules	molecule	NOUN
ecletica-424	106	18	.	.	PUNCT
ecletica-424	107	1	although	although	SCONJ
ecletica-424	107	2	monohydrate	monohydrate	PROPN
ecletica-424	107	3	α	α	PROPN
ecletica-424	107	4	-	-	PUNCT
ecletica-424	107	5	anomer	anomer	NOUN
ecletica-424	107	6	is	be	AUX
ecletica-424	107	7	not	not	PART
ecletica-424	107	8	a	a	DET
ecletica-424	107	9	complete	complete	ADJ
ecletica-424	107	10	hydration	hydration	NOUN
ecletica-424	107	11	structure	structure	NOUN
ecletica-424	107	12	,	,	PUNCT
ecletica-424	107	13	its	its	PRON
ecletica-424	107	14	computed	compute	VERB
ecletica-424	107	15	ir	ir	PROPN
ecletica-424	107	16	spectra	spectra	PROPN
ecletica-424	107	17	is	be	AUX
ecletica-424	107	18	in	in	ADP
ecletica-424	107	19	a	a	DET
ecletica-424	107	20	good	good	ADJ
ecletica-424	107	21	agreement	agreement	NOUN
ecletica-424	107	22	with	with	ADP
ecletica-424	107	23	experimental	experimental	ADJ
ecletica-424	107	24	spectra	spectra	NOUN
ecletica-424	107	25	for	for	ADP
ecletica-424	107	26	β	β	NOUN
ecletica-424	107	27	-	-	ADJ
ecletica-424	107	28	d	d	NOUN
ecletica-424	107	29	-	-	PUNCT
ecletica-424	107	30	fructose	fructose	NOUN
ecletica-424	107	31	.	.	PUNCT
ecletica-424	108	1	in	in	ADP
ecletica-424	108	2	addition	addition	NOUN
ecletica-424	108	3	,	,	PUNCT
ecletica-424	108	4	the	the	DET
ecletica-424	108	5	computed	compute	VERB
ecletica-424	108	6	spectra	spectra	NOUN
ecletica-424	108	7	for	for	ADP
ecletica-424	108	8	α	α	NOUN
ecletica-424	108	9	-	-	PUNCT
ecletica-424	108	10	d	d	NOUN
ecletica-424	108	11	-	-	PUNCT
ecletica-424	108	12	glucose	glucose	NOUN
ecletica-424	108	13	monohydrate	monohydrate	NOUN
ecletica-424	108	14	are	be	AUX
ecletica-424	108	15	in	in	ADP
ecletica-424	108	16	a	a	DET
ecletica-424	108	17	good	good	ADJ
ecletica-424	108	18	agreement	agreement	NOUN
ecletica-424	108	19	with	with	ADP
ecletica-424	108	20	experimental	experimental	ADJ
ecletica-424	108	21	one	one	NUM
ecletica-424	108	22	in	in	ADP
ecletica-424	108	23	the	the	DET
ecletica-424	108	24	characteristic	characteristic	ADJ
ecletica-424	108	25	region	region	NOUN
ecletica-424	108	26	(	(	PUNCT
ecletica-424	108	27	600	600	NUM
ecletica-424	108	28	–	–	SYM
ecletica-424	108	29	1500	1500	NUM
ecletica-424	108	30	cm-1	cm-1	NOUN
ecletica-424	108	31	)	)	PUNCT
ecletica-424	108	32	and	and	CCONJ
ecletica-424	108	33	far	far	ADV
ecletica-424	108	34	from	from	ADP
ecletica-424	108	35	it	it	PRON
ecletica-424	108	36	in	in	ADP
ecletica-424	108	37	the	the	DET
ecletica-424	108	38	oh	oh	PROPN
ecletica-424	108	39	region	region	NOUN
ecletica-424	108	40	.	.	PUNCT
ecletica-424	109	1	it	it	PRON
ecletica-424	109	2	can	can	AUX
ecletica-424	109	3	be	be	AUX
ecletica-424	109	4	concluded	conclude	VERB
ecletica-424	109	5	that	that	SCONJ
ecletica-424	109	6	with	with	ADP
ecletica-424	109	7	a	a	DET
ecletica-424	109	8	comparable	comparable	ADJ
ecletica-424	109	9	results	result	NOUN
ecletica-424	109	10	and	and	CCONJ
ecletica-424	109	11	lower	low	ADJ
ecletica-424	109	12	computation	computation	NOUN
ecletica-424	109	13	time	time	NOUN
ecletica-424	109	14	,	,	PUNCT
ecletica-424	109	15	semiempirical	semiempirical	ADJ
ecletica-424	109	16	method	method	NOUN
ecletica-424	109	17	could	could	AUX
ecletica-424	109	18	be	be	AUX
ecletica-424	109	19	used	use	VERB
ecletica-424	109	20	to	to	PART
ecletica-424	109	21	study	study	VERB
ecletica-424	109	22	carbohydrates	carbohydrate	NOUN
ecletica-424	109	23	such	such	ADJ
ecletica-424	109	24	as	as	ADP
ecletica-424	109	25	glucose	glucose	NOUN
ecletica-424	109	26	and	and	CCONJ
ecletica-424	109	27	fructose	fructose	NOUN
ecletica-424	109	28	.	.	PUNCT
ecletica-424	110	1	on	on	ADP
ecletica-424	110	2	the	the	DET
ecletica-424	110	3	other	other	ADJ
ecletica-424	110	4	hand	hand	NOUN
ecletica-424	110	5	for	for	ADP
ecletica-424	110	6	accurate	accurate	ADJ
ecletica-424	110	7	and	and	CCONJ
ecletica-424	110	8	precise	precise	ADJ
ecletica-424	110	9	structural	structural	ADJ
ecletica-424	110	10	and	and	CCONJ
ecletica-424	110	11	vibrational	vibrational	ADJ
ecletica-424	110	12	data	datum	NOUN
ecletica-424	110	13	dft	dft	PROPN
ecletica-424	110	14	method	method	NOUN
ecletica-424	110	15	could	could	AUX
ecletica-424	110	16	be	be	AUX
ecletica-424	110	17	used	use	VERB
ecletica-424	110	18	with	with	ADP
ecletica-424	110	19	a	a	DET
ecletica-424	110	20	good	good	ADJ
ecletica-424	110	21	agreement	agreement	NOUN
ecletica-424	110	22	with	with	ADP
ecletica-424	110	23	experimental	experimental	ADJ
ecletica-424	110	24	results	result	NOUN
ecletica-424	110	25	.	.	PUNCT
ecletica-424	111	1	received	receive	VERB
ecletica-424	111	2	27	27	NUM
ecletica-424	111	3	july	july	PROPN
ecletica-424	111	4	2006	2006	NUM
ecletica-424	111	5	accepted	accept	VERB
ecletica-424	111	6	17	17	NUM
ecletica-424	111	7	august	august	PROPN
ecletica-424	111	8	2006	2006	NUM
ecletica-424	111	9	references	reference	NOUN
ecletica-424	111	10	[	[	X
ecletica-424	111	11	1	1	NUM
ecletica-424	111	12	]	]	PUNCT
ecletica-424	111	13	r.	r.	PROPN
ecletica-424	111	14	a.	a.	PROPN
ecletica-424	111	15	dwek	dwek	PROPN
ecletica-424	111	16	,	,	PUNCT
ecletica-424	111	17	chem	chem	NOUN
ecletica-424	111	18	.	.	PUNCT
ecletica-424	112	1	rev	rev	PROPN
ecletica-424	112	2	.	.	PROPN
ecletica-424	112	3	96	96	NUM
ecletica-424	112	4	(	(	PUNCT
ecletica-424	112	5	1996	1996	NUM
ecletica-424	112	6	)	)	PUNCT
ecletica-424	112	7	683	683	NUM
ecletica-424	112	8	-	-	SYM
ecletica-424	112	9	720	720	NUM
ecletica-424	112	10	.	.	PUNCT
ecletica-424	113	1	[	[	X
ecletica-424	113	2	2	2	NUM
ecletica-424	113	3	]	]	PUNCT
ecletica-424	113	4	r.	r.	PROPN
ecletica-424	113	5	w.	w.	PROPN
ecletica-424	113	6	binkley	binkley	PROPN
ecletica-424	113	7	,	,	PUNCT
ecletica-424	113	8	modern	modern	ADJ
ecletica-424	113	9	carbohydrate	carbohydrate	NOUN
ecletica-424	113	10	chemistry	chemistry	NOUN
ecletica-424	113	11	,	,	PUNCT
ecletica-424	113	12	m.	m.	PROPN
ecletica-424	113	13	dekker	dekker	PROPN
ecletica-424	113	14	inc	inc	PROPN
ecletica-424	113	15	.	.	PROPN
ecletica-424	113	16	,	,	PUNCT
ecletica-424	113	17	new	new	PROPN
ecletica-424	113	18	york	york	PROPN
ecletica-424	113	19	.	.	PROPN
ecletica-424	113	20	,	,	PUNCT
ecletica-424	113	21	1988	1988	NUM
ecletica-424	113	22	.	.	PUNCT
ecletica-424	114	1	[	[	X
ecletica-424	114	2	3	3	X
ecletica-424	114	3	]	]	PUNCT
ecletica-424	114	4	z.	z.	PROPN
ecletica-424	114	5	gyöwrgydeak	gyöwrgydeak	PROPN
ecletica-424	114	6	and	and	CCONJ
ecletica-424	114	7	i.	i.	PROPN
ecletica-424	114	8	pelyvas	pelyvas	PROPN
ecletica-424	114	9	,	,	PUNCT
ecletica-424	114	10	monoscaccharide	monoscaccharide	ADJ
ecletica-424	114	11	sugars	sugar	NOUN
ecletica-424	114	12	,	,	PUNCT
ecletica-424	114	13	academic	academic	ADJ
ecletica-424	114	14	press	press	NOUN
ecletica-424	114	15	,	,	PUNCT
ecletica-424	114	16	new	new	PROPN
ecletica-424	114	17	york	york	PROPN
ecletica-424	114	18	,	,	PUNCT
ecletica-424	114	19	1998	1998	NUM
ecletica-424	114	20	.	.	PUNCT
ecletica-424	115	1	[	[	X
ecletica-424	115	2	4	4	X
ecletica-424	115	3	]	]	PUNCT
ecletica-424	115	4	j.	j.	PROPN
ecletica-424	115	5	madox	madox	PROPN
ecletica-424	115	6	,	,	PUNCT
ecletica-424	115	7	nature	nature	NOUN
ecletica-424	115	8	364	364	NUM
ecletica-424	115	9	(	(	PUNCT
ecletica-424	115	10	1993	1993	NUM
ecletica-424	115	11	)	)	PUNCT
ecletica-424	115	12	669	669	NUM
ecletica-424	115	13	-	-	SYM
ecletica-424	115	14	703	703	NUM
ecletica-424	115	15	.	.	PUNCT
ecletica-424	116	1	[	[	X
ecletica-424	116	2	5	5	NUM
ecletica-424	116	3	]	]	SYM
ecletica-424	116	4	galema	galema	NOUN
ecletica-424	116	5	,	,	PUNCT
ecletica-424	116	6	s.	s.	PROPN
ecletica-424	116	7	a.	a.	PROPN
ecletica-424	116	8	blandamera	blandamera	PROPN
ecletica-424	116	9	,	,	PUNCT
ecletica-424	116	10	m.	m.	PROPN
ecletica-424	116	11	j.	j.	PROPN
ecletica-424	116	12	and	and	CCONJ
ecletica-424	116	13	engberts	engbert	NOUN
ecletica-424	116	14	,	,	PUNCT
ecletica-424	116	15	j.	j.	PROPN
ecletica-424	116	16	b.	b.	PROPN
ecletica-424	116	17	f.	f.	PROPN
ecletica-424	116	18	n.	n.	PROPN
ecletica-424	116	19	,	,	PUNCT
ecletica-424	116	20	j.	j.	PROPN
ecletica-424	116	21	org	org	PROPN
ecletica-424	116	22	.	.	PUNCT
ecletica-424	116	23	chem	chem	PROPN
ecletica-424	116	24	.	.	PUNCT
ecletica-424	117	1	57	57	NUM
ecletica-424	117	2	(	(	PUNCT
ecletica-424	117	3	1992	1992	NUM
ecletica-424	117	4	)	)	PUNCT
ecletica-424	117	5	1995	1995	NUM
ecletica-424	117	6	-	-	SYM
ecletica-424	117	7	2001	2001	NUM
ecletica-424	117	8	.	.	PUNCT
ecletica-424	118	1	[	[	X
ecletica-424	118	2	6	6	NUM
ecletica-424	118	3	]	]	PUNCT
ecletica-424	118	4	a.	a.	NOUN
ecletica-424	118	5	r.	r.	PROPN
ecletica-424	118	6	leach	leach	NOUN
ecletica-424	118	7	,	,	PUNCT
ecletica-424	118	8	molecular	molecular	ADJ
ecletica-424	118	9	modelling	modelling	NOUN
ecletica-424	118	10	principles	principle	NOUN
ecletica-424	118	11	and	and	CCONJ
ecletica-424	118	12	applications	application	NOUN
ecletica-424	118	13	,	,	PUNCT
ecletica-424	118	14	longman	longman	NOUN
ecletica-424	118	15	,	,	PUNCT
ecletica-424	118	16	essex	essex	PROPN
ecletica-424	118	17	.	.	PUNCT
ecletica-424	118	18	1996	1996	NUM
ecletica-424	118	19	.	.	PUNCT
ecletica-424	119	1	[	[	X
ecletica-424	119	2	7	7	X
ecletica-424	119	3	]	]	X
ecletica-424	119	4	n.	n.	PROPN
ecletica-424	119	5	reuter	reuter	PROPN
ecletica-424	119	6	,	,	PUNCT
ecletica-424	119	7	a.	a.	PROPN
ecletica-424	119	8	dejaegere	dejaegere	PROPN
ecletica-424	119	9	,	,	PUNCT
ecletica-424	119	10	b.	b.	PROPN
ecletica-424	119	11	maigret	maigret	PROPN
ecletica-424	119	12	and	and	CCONJ
ecletica-424	119	13	m.	m.	PROPN
ecletica-424	119	14	karplus	karplus	PROPN
ecletica-424	119	15	,	,	PUNCT
ecletica-424	119	16	j.	j.	PROPN
ecletica-424	119	17	phys	phys	PROPN
ecletica-424	119	18	.	.	PUNCT
ecletica-424	120	1	chem.a	chem.a	PROPN
ecletica-424	120	2	.	.	PUNCT
ecletica-424	121	1	104	104	NUM
ecletica-424	121	2	(	(	PUNCT
ecletica-424	121	3	2000	2000	NUM
ecletica-424	121	4	)	)	PUNCT
ecletica-424	121	5	1720	1720	NUM
ecletica-424	121	6	-	-	SYM
ecletica-424	121	7	1735	1735	NUM
ecletica-424	121	8	.	.	PUNCT
ecletica-424	122	1	[	[	X
ecletica-424	122	2	8	8	X
ecletica-424	122	3	]	]	PUNCT
ecletica-424	122	4	j.	j.	PROPN
ecletica-424	122	5	gao	gao	PROPN
ecletica-424	122	6	,	,	PUNCT
ecletica-424	122	7	acc	acc	PROPN
ecletica-424	122	8	.	.	PROPN
ecletica-424	122	9	chem	chem	PROPN
ecletica-424	122	10	.	.	PUNCT
ecletica-424	123	1	res	re	NOUN
ecletica-424	123	2	.	.	PROPN
ecletica-424	124	1	29	29	NUM
ecletica-424	124	2	(	(	PUNCT
ecletica-424	124	3	1996	1996	NUM
ecletica-424	124	4	)	)	PUNCT
ecletica-424	124	5	298	298	NUM
ecletica-424	124	6	-	-	SYM
ecletica-424	124	7	305	305	NUM
ecletica-424	124	8	.	.	PUNCT
ecletica-424	125	1	[	[	X
ecletica-424	125	2	9	9	NUM
ecletica-424	125	3	]	]	PUNCT
ecletica-424	125	4	m.	m.	NOUN
ecletica-424	125	5	a.	a.	PROPN
ecletica-424	125	6	cunningham	cunningham	PROPN
ecletica-424	125	7	,	,	PUNCT
ecletica-424	125	8	l.	l.	PROPN
ecletica-424	125	9	l.	l.	PROPN
ecletica-424	125	10	ho	ho	PROPN
ecletica-424	125	11	,	,	PUNCT
ecletica-424	125	12	d.	d.	PROPN
ecletica-424	125	13	t.	t.	PROPN
ecletica-424	125	14	nguyen	nguyen	PROPN
ecletica-424	125	15	,	,	PUNCT
ecletica-424	125	16	r.	r.	PROPN
ecletica-424	125	17	e.	e.	PROPN
ecletica-424	125	18	gillilan	gillilan	PROPN
ecletica-424	125	19	and	and	CCONJ
ecletica-424	125	20	p.	p.	NOUN
ecletica-424	125	21	a.	a.	NOUN
ecletica-424	125	22	bash	bash	NOUN
ecletica-424	125	23	,	,	PUNCT
ecletica-424	125	24	biochemistry	biochemistry	NOUN
ecletica-424	125	25	,	,	PUNCT
ecletica-424	125	26	,	,	PUNCT
ecletica-424	125	27	m.	m.	NOUN
ecletica-424	125	28	a.	a.	NOUN
ecletica-424	125	29	36	36	NUM
ecletica-424	125	30	(	(	PUNCT
ecletica-424	125	31	1997	1997	NUM
ecletica-424	125	32	)	)	PUNCT
ecletica-424	125	33	4800	4800	NUM
ecletica-424	125	34	-	-	SYM
ecletica-424	125	35	4816	4816	NUM
ecletica-424	125	36	.	.	PUNCT
ecletica-424	126	1	[	[	X
ecletica-424	126	2	10	10	NUM
ecletica-424	126	3	]	]	PUNCT
ecletica-424	126	4	m.	m.	NOUN
ecletica-424	126	5	s.	s.	PROPN
ecletica-424	126	6	cheung	cheung	PROPN
ecletica-424	126	7	,	,	PUNCT
ecletica-424	126	8	i.	i.	PROPN
ecletica-424	126	9	daizadeh	daizadeh	PROPN
ecletica-424	126	10	,	,	PUNCT
ecletica-424	126	11	a.	a.	NOUN
ecletica-424	126	12	a.	a.	NOUN
ecletica-424	126	13	stuchebrukhov	stuchebrukhov	PROPN
ecletica-424	127	1	and	and	CCONJ
ecletica-424	128	1	p.	p.	PROPN
ecletica-424	128	2	f.	f.	PROPN
ecletica-424	128	3	heelis	heelis	PROPN
ecletica-424	128	4	,	,	PUNCT
ecletica-424	128	5	biophys	biophy	NOUN
ecletica-424	128	6	.	.	PUNCT
ecletica-424	129	1	j.	j.	PROPN
ecletica-424	129	2	76	76	NUM
ecletica-424	129	3	(	(	PUNCT
ecletica-424	129	4	1999	1999	NUM
ecletica-424	129	5	)	)	PUNCT
ecletica-424	129	6	1241	1241	NUM
ecletica-424	129	7	-	-	SYM
ecletica-424	129	8	1249	1249	NUM
ecletica-424	129	9	.	.	PUNCT
ecletica-424	130	1	[	[	X
ecletica-424	130	2	11	11	NUM
ecletica-424	130	3	]	]	PUNCT
ecletica-424	130	4	k.	k.	PROPN
ecletica-424	131	1	p.	p.	PROPN
ecletica-424	131	2	eurenius	eurenius	NOUN
ecletica-424	131	3	,	,	PUNCT
ecletica-424	131	4	d.	d.	PROPN
ecletica-424	131	5	c.	c.	PROPN
ecletica-424	131	6	chatfield	chatfield	PROPN
ecletica-424	131	7	,	,	PUNCT
ecletica-424	131	8	b.	b.	PROPN
ecletica-424	131	9	r.	r.	PROPN
ecletica-424	131	10	brooks	brooks	PROPN
ecletica-424	131	11	and	and	CCONJ
ecletica-424	131	12	m.	m.	NOUN
ecletica-424	131	13	hodoscek	hodoscek	PROPN
ecletica-424	131	14	,	,	PUNCT
ecletica-424	131	15	intern	intern	NOUN
ecletica-424	131	16	.	.	PUNCT
ecletica-424	132	1	j.	j.	PROPN
ecletica-424	132	2	quant	quant	PROPN
ecletica-424	132	3	.	.	PUNCT
ecletica-424	133	1	chem	chem	PROPN
ecletica-424	133	2	.	.	PUNCT
ecletica-424	134	1	60	60	NUM
ecletica-424	134	2	(	(	PUNCT
ecletica-424	134	3	1996	1996	NUM
ecletica-424	134	4	)	)	PUNCT
ecletica-424	134	5	1189	1189	NUM
ecletica-424	134	6	-	-	SYM
ecletica-424	134	7	1200	1200	NUM
ecletica-424	134	8	.	.	PUNCT
ecletica-424	135	1	[	[	X
ecletica-424	135	2	12	12	NUM
ecletica-424	135	3	]	]	X
ecletica-424	135	4	c.	c.	PROPN
ecletica-424	135	5	molteni	molteni	PROPN
ecletica-424	135	6	and	and	CCONJ
ecletica-424	135	7	m.	m.	NOUN
ecletica-424	135	8	parrinello	parrinello	PROPN
ecletica-424	135	9	,	,	PUNCT
ecletica-424	135	10	cem	cem	NOUN
ecletica-424	135	11	.	.	PUNCT
ecletica-424	135	12	phys	phy	NOUN
ecletica-424	135	13	.	.	PUNCT
ecletica-424	136	1	lett	lett	PROPN
ecletica-424	136	2	.	.	PUNCT
ecletica-424	137	1	275	275	NUM
ecletica-424	137	2	(	(	PUNCT
ecletica-424	137	3	1997	1997	NUM
ecletica-424	137	4	)	)	PUNCT
ecletica-424	137	5	409	409	NUM
ecletica-424	137	6	-	-	SYM
ecletica-424	137	7	413	413	NUM
ecletica-424	137	8	.	.	PUNCT
ecletica-424	138	1	[	[	X
ecletica-424	138	2	13	13	NUM
ecletica-424	138	3	]	]	PUNCT
ecletica-424	138	4	f.	f.	PROPN
ecletica-424	138	5	a.	a.	PROPN
ecletica-424	138	6	momany	momany	PROPN
ecletica-424	138	7	,	,	PUNCT
ecletica-424	138	8	m.	m.	NOUN
ecletica-424	138	9	appell	appell	PROPN
ecletica-424	138	10	,	,	PUNCT
ecletica-424	138	11	g.	g.	PROPN
ecletica-424	138	12	strati	strati	PROPN
ecletica-424	138	13	and	and	CCONJ
ecletica-424	138	14	j.	j.	PROPN
ecletica-424	138	15	l.	l.	PROPN
ecletica-424	138	16	willett	willett	PROPN
ecletica-424	138	17	,	,	PUNCT
ecletica-424	138	18	carbohydrate	carbohydrate	VERB
ecletica-424	138	19	research	research	NOUN
ecletica-424	138	20	339	339	NUM
ecletica-424	138	21	(	(	PUNCT
ecletica-424	138	22	2004	2004	NUM
ecletica-424	138	23	)	)	PUNCT
ecletica-424	138	24	553	553	NUM
ecletica-424	138	25	-	-	SYM
ecletica-424	138	26	567	567	NUM
ecletica-424	138	27	.	.	PUNCT
ecletica-424	139	1	[	[	X
ecletica-424	139	2	15	15	NUM
ecletica-424	139	3	]	]	X
ecletica-424	139	4	c.	c.	PROPN
ecletica-424	139	5	arujo	arujo	PROPN
ecletica-424	139	6	-	-	PUNCT
ecletica-424	139	7	andrade	andrade	PROPN
ecletica-424	139	8	,	,	PUNCT
ecletica-424	139	9	f.	f.	PROPN
ecletica-424	139	10	ruiz	ruiz	PROPN
ecletica-424	139	11	,	,	PUNCT
ecletica-424	139	12	j.	j.	PROPN
ecletica-424	139	13	r.	r.	PROPN
ecletica-424	139	14	martinez	martinez	PROPN
ecletica-424	139	15	-	-	PROPN
ecletica-424	139	16	mendoza	mendoza	PROPN
ecletica-424	139	17	and	and	CCONJ
ecletica-424	139	18	h.	h.	PROPN
ecletica-424	139	19	terrones	terrones	PROPN
ecletica-424	139	20	,	,	PUNCT
ecletica-424	139	21	j.	j.	PROPN
ecletica-424	139	22	mol	mol	PROPN
ecletica-424	139	23	.	.	PROPN
ecletica-424	139	24	struct	struct	NOUN
ecletica-424	139	25	.	.	PUNCT
ecletica-424	140	1	theochem	theochem	NOUN
ecletica-424	140	2	.	.	PUNCT
ecletica-424	141	1	714	714	NUM
ecletica-424	141	2	(	(	PUNCT
ecletica-424	141	3	2005	2005	NUM
ecletica-424	141	4	)	)	PUNCT
ecletica-424	141	5	143146	143146	NUM
ecletica-424	141	6	.	.	PUNCT
ecletica-424	142	1	[	[	X
ecletica-424	142	2	16	16	NUM
ecletica-424	142	3	]	]	X
ecletica-424	142	4	j.	j.	PROPN
ecletica-424	142	5	behler	behler	PROPN
ecletica-424	142	6	,	,	PUNCT
ecletica-424	142	7	d.	d.	PROPN
ecletica-424	142	8	w.	w.	PROPN
ecletica-424	142	9	price	price	PROPN
ecletica-424	142	10	and	and	CCONJ
ecletica-424	142	11	m.	m.	NOUN
ecletica-424	142	12	g.	g.	PROPN
ecletica-424	142	13	b.	b.	PROPN
ecletica-424	142	14	drew	draw	VERB
ecletica-424	142	15	,	,	PUNCT
ecletica-424	142	16	phys	phy	NOUN
ecletica-424	142	17	.	.	PUNCT
ecletica-424	143	1	cehm	cehm	PROPN
ecletica-424	143	2	.	.	PUNCT
ecletica-424	144	1	chem	chem	NOUN
ecletica-424	144	2	.	.	PUNCT
ecletica-424	145	1	phys	phy	NOUN
ecletica-424	145	2	.	.	PUNCT
ecletica-424	146	1	3	3	NUM
ecletica-424	146	2	(	(	PUNCT
ecletica-424	146	3	2001	2001	NUM
ecletica-424	146	4	)	)	PUNCT
ecletica-424	146	5	588	588	NUM
ecletica-424	146	6	-	-	SYM
ecletica-424	146	7	601	601	NUM
ecletica-424	146	8	.	.	PUNCT
ecletica-424	147	1	[	[	X
ecletica-424	147	2	17	17	NUM
ecletica-424	147	3	]	]	PUNCT
ecletica-424	147	4	a.	a.	PROPN
ecletica-424	147	5	michael	michael	PROPN
ecletica-424	147	6	,	,	PUNCT
ecletica-424	147	7	j.	j.	PROPN
ecletica-424	147	8	l.	l.	PROPN
ecletica-424	147	9	willett	willett	PROPN
ecletica-424	147	10	and	and	CCONJ
ecletica-424	147	11	f.	f.	PROPN
ecletica-424	147	12	a.	a.	PROPN
ecletica-424	147	13	momany	momany	PROPN
ecletica-424	147	14	,	,	PUNCT
ecletica-424	147	15	carbohydrate	carbohydrate	VERB
ecletica-424	147	16	research	research	NOUN
ecletica-424	147	17	340	340	NUM
ecletica-424	147	18	(	(	PUNCT
ecletica-424	147	19	2005	2005	NUM
ecletica-424	147	20	)	)	PUNCT
ecletica-424	147	21	459	459	NUM
ecletica-424	147	22	-	-	SYM
ecletica-424	147	23	468	468	NUM
ecletica-424	147	24	.	.	PUNCT
ecletica-424	148	1	[	[	X
ecletica-424	148	2	18	18	NUM
ecletica-424	148	3	]	]	X
ecletica-424	148	4	f.	f.	PROPN
ecletica-424	148	5	b.	b.	PROPN
ecletica-424	148	6	alasdair	alasdair	PROPN
ecletica-424	148	7	,	,	PUNCT
ecletica-424	148	8	h.	h.	PROPN
ecletica-424	148	9	lutz	lutz	PROPN
ecletica-424	148	10	and	and	CCONJ
ecletica-424	148	11	d.	d.	PROPN
ecletica-424	148	12	b.	b.	PROPN
ecletica-424	148	13	laurence	laurence	PROPN
ecletica-424	148	14	,	,	PUNCT
ecletica-424	148	15	spectrochimica	spectrochimica	PROPN
ecletica-424	148	16	acta	acta	PROPN
ecletica-424	148	17	a.	a.	PROPN
ecletica-424	148	18	51	51	NUM
ecletica-424	148	19	(	(	PUNCT
ecletica-424	148	20	1995	1995	NUM
ecletica-424	148	21	)	)	PUNCT
ecletica-424	148	22	1367	1367	NUM
ecletica-424	148	23	-	-	SYM
ecletica-424	148	24	1378	1378	NUM
ecletica-424	148	25	.	.	PUNCT
ecletica-424	149	1	[	[	X
ecletica-424	149	2	19	19	NUM
ecletica-424	149	3	]	]	PUNCT
ecletica-424	149	4	m.	m.	NOUN
ecletica-424	149	5	mathlouthi	mathlouthi	PROPN
ecletica-424	149	6	,	,	PUNCT
ecletica-424	149	7	f.	f.	PROPN
ecletica-424	149	8	hutteau	hutteau	PROPN
ecletica-424	149	9	and	and	CCONJ
ecletica-424	149	10	j.	j.	PROPN
ecletica-424	149	11	f.	f.	PROPN
ecletica-424	149	12	angibous	angibous	PROPN
ecletica-424	149	13	,	,	PUNCT
ecletica-424	149	14	food	food	NOUN
ecletica-424	149	15	chemistry	chemistry	NOUN
ecletica-424	149	16	56	56	NUM
ecletica-424	149	17	(	(	PUNCT
ecletica-424	149	18	1996	1996	NUM
ecletica-424	149	19	)	)	PUNCT
ecletica-424	149	20	215	215	NUM
ecletica-424	149	21	-	-	SYM
ecletica-424	149	22	221	221	NUM
ecletica-424	149	23	.	.	PUNCT
ecletica-424	150	1	[	[	X
ecletica-424	150	2	20	20	NUM
ecletica-424	150	3	]	]	PUNCT
ecletica-424	150	4	l.	l.	PROPN
ecletica-424	150	5	hai	hai	PROPN
ecletica-424	150	6	and	and	CCONJ
ecletica-424	150	7	l.	l.	PROPN
ecletica-424	150	8	bernhard	bernhard	PROPN
ecletica-424	150	9	,	,	PUNCT
ecletica-424	150	10	analytica	analytica	PROPN
ecletica-424	150	11	chimica	chimica	PROPN
ecletica-424	150	12	acta	acta	PROPN
ecletica-424	150	13	422	422	NUM
ecletica-424	150	14	(	(	PUNCT
ecletica-424	150	15	2000	2000	NUM
ecletica-424	150	16	)	)	PUNCT
ecletica-424	150	17	63	63	NUM
ecletica-424	150	18	-	-	SYM
ecletica-424	150	19	69	69	NUM
ecletica-424	150	20	.	.	PUNCT
ecletica-424	151	1	[	[	X
ecletica-424	151	2	21	21	NUM
ecletica-424	151	3	]	]	X
ecletica-424	151	4	s.	s.	PROPN
ecletica-424	151	5	pavlovic	pavlovic	PROPN
ecletica-424	151	6	and	and	CCONJ
ecletica-424	151	7	p.	p.	PROPN
ecletica-424	151	8	r.	r.	PROPN
ecletica-424	151	9	g.	g.	PROPN
ecletica-424	151	10	brandao	brandao	PROPN
ecletica-424	151	11	,	,	PUNCT
ecletica-424	151	12	minerals	mineral	NOUN
ecletica-424	151	13	engineering	engineer	VERB
ecletica-424	151	14	16	16	NUM
ecletica-424	151	15	(	(	PUNCT
ecletica-424	151	16	2003	2003	NUM
ecletica-424	151	17	)	)	PUNCT
ecletica-424	151	18	1117	1117	NUM
ecletica-424	151	19	-	-	SYM
ecletica-424	151	20	1122	1122	NUM
ecletica-424	151	21	.	.	PUNCT
ecletica-424	152	1	[	[	X
ecletica-424	152	2	22	22	NUM
ecletica-424	152	3	]	]	X
ecletica-424	152	4	p.	p.	PROPN
ecletica-424	152	5	galgali	galgali	PROPN
ecletica-424	152	6	,	,	PUNCT
ecletica-424	152	7	u.	u.	PROPN
ecletica-424	152	8	s.	s.	PROPN
ecletica-424	152	9	puntambekar	puntambekar	PROPN
ecletica-424	152	10	,	,	PUNCT
ecletica-424	152	11	d.	d.	PROPN
ecletica-424	152	12	v.	v.	PROPN
ecletica-424	152	13	gokhale	gokhale	PROPN
ecletica-424	152	14	and	and	CCONJ
ecletica-424	152	15	a.	a.	PROPN
ecletica-424	152	16	j.	j.	PROPN
ecletica-424	152	17	varma	varma	PROPN
ecletica-424	152	18	,	,	PUNCT
ecletica-424	152	19	carbohydrate	carbohydrate	VERB
ecletica-424	152	20	polymers	polymer	NOUN
ecletica-424	152	21	55	55	NUM
ecletica-424	152	22	(	(	PUNCT
ecletica-424	152	23	2004	2004	NUM
ecletica-424	152	24	)	)	PUNCT
ecletica-424	152	25	393	393	NUM
ecletica-424	152	26	-	-	SYM
ecletica-424	152	27	399	399	NUM
ecletica-424	152	28	.	.	PUNCT
ecletica-424	153	1	[	[	X
ecletica-424	153	2	23	23	NUM
ecletica-424	153	3	]	]	PUNCT
ecletica-424	153	4	m.	m.	NOUN
ecletica-424	153	5	j.	j.	PROPN
ecletica-424	153	6	s.	s.	PROPN
ecletica-424	153	7	dewar	dewar	PROPN
ecletica-424	153	8	,	,	PUNCT
ecletica-424	153	9	e.	e.	PROPN
ecletica-424	153	10	g.	g.	PROPN
ecletica-424	153	11	zoebisch	zoebisch	PROPN
ecletica-424	153	12	,	,	PUNCT
ecletica-424	153	13	e.	e.	PROPN
ecletica-424	153	14	f.	f.	PROPN
ecletica-424	153	15	healy	healy	PROPN
ecletica-424	153	16	and	and	CCONJ
ecletica-424	153	17	j.	j.	PROPN
ecletica-424	153	18	j.	j.	PROPN
ecletica-424	153	19	p.	p.	PROPN
ecletica-424	153	20	stewart	stewart	PROPN
ecletica-424	153	21	,	,	PUNCT
ecletica-424	153	22	j.	j.	PROPN
ecletica-424	153	23	am	am	PROPN
ecletica-424	153	24	.	.	PUNCT
ecletica-424	153	25	chem	chem	NOUN
ecletica-424	153	26	.	.	PUNCT
ecletica-424	154	1	soc	soc	PROPN
ecletica-424	154	2	.	.	PUNCT
ecletica-424	155	1	107	107	NUM
ecletica-424	155	2	(	(	PUNCT
ecletica-424	155	3	1985	1985	NUM
ecletica-424	155	4	)	)	PUNCT
ecletica-424	155	5	3902	3902	NUM
ecletica-424	155	6	-	-	SYM
ecletica-424	155	7	3909	3909	NUM
ecletica-424	155	8	.	.	PUNCT
ecletica-424	156	1	[	[	X
ecletica-424	156	2	24	24	NUM
ecletica-424	156	3	]	]	PUNCT
ecletica-424	156	4	j.	j.	PROPN
ecletica-424	156	5	j.	j.	PROPN
ecletica-424	156	6	p.	p.	PROPN
ecletica-424	156	7	stewart	stewart	PROPN
ecletica-424	156	8	,	,	PUNCT
ecletica-424	156	9	j.	j.	PROPN
ecletica-424	156	10	comp	comp	PROPN
ecletica-424	156	11	.	.	PUNCT
ecletica-424	156	12	chem	chem	PROPN
ecletica-424	156	13	.	.	PUNCT
ecletica-424	157	1	10	10	NUM
ecletica-424	157	2	(	(	PUNCT
ecletica-424	157	3	1989	1989	NUM
ecletica-424	157	4	)	)	PUNCT
ecletica-424	157	5	209	209	NUM
ecletica-424	157	6	-	-	SYM
ecletica-424	157	7	220	220	NUM
ecletica-424	157	8	.	.	PUNCT
ecletica-424	158	1	[	[	X
ecletica-424	158	2	25	25	NUM
ecletica-424	158	3	]	]	PUNCT
ecletica-424	158	4	j.	j.	PROPN
ecletica-424	158	5	s.	s.	PROPN
ecletica-424	158	6	d.	d.	PROPN
ecletica-424	158	7	michael	michael	PROPN
ecletica-424	158	8	and	and	CCONJ
ecletica-424	158	9	t.	t.	PROPN
ecletica-424	158	10	walter	walter	PROPN
ecletica-424	158	11	,	,	PUNCT
ecletica-424	158	12	j.	j.	PROPN
ecletica-424	158	13	am	am	PROPN
ecletica-424	158	14	.	.	PUNCT
ecletica-424	159	1	chem	chem	NOUN
ecletica-424	159	2	.	.	PUNCT
ecletica-424	160	1	soc	soc	PROPN
ecletica-424	160	2	.	.	PUNCT
ecletica-424	161	1	99	99	NUM
ecletica-424	161	2	(	(	PUNCT
ecletica-424	161	3	1977	1977	NUM
ecletica-424	161	4	)	)	PUNCT
ecletica-424	161	5	4899	4899	NUM
ecletica-424	161	6	-	-	SYM
ecletica-424	161	7	4907	4907	NUM
ecletica-424	161	8	.	.	PUNCT
ecletica-424	162	1	[	[	X
ecletica-424	162	2	26	26	NUM
ecletica-424	162	3	]	]	PUNCT
ecletica-424	162	4	j.	j.	PROPN
ecletica-424	162	5	b.	b.	PROPN
ecletica-424	162	6	foresman	foresman	PROPN
ecletica-424	162	7	and	and	CCONJ
ecletica-424	162	8	a.	a.	NOUN
ecletica-424	162	9	frisch	frisch	PROPN
ecletica-424	162	10	,	,	PUNCT
ecletica-424	162	11	exploring	explore	VERB
ecletica-424	162	12	chemistry	chemistry	NOUN
ecletica-424	162	13	with	with	ADP
ecletica-424	162	14	electronic	electronic	ADJ
ecletica-424	162	15	structure	structure	NOUN
ecletica-424	162	16	methods	method	NOUN
ecletica-424	162	17	,	,	PUNCT
ecletica-424	162	18	2nd	2nd	ADJ
ecletica-424	162	19	ed	ed	NOUN
ecletica-424	162	20	.	.	PROPN
ecletica-424	162	21	,	,	PUNCT
ecletica-424	162	22	gaussian	gaussian	PROPN
ecletica-424	162	23	inc	inc	PROPN
ecletica-424	162	24	.	.	PROPN
ecletica-424	162	25	,	,	PUNCT
ecletica-424	162	26	1996	1996	NUM
ecletica-424	162	27	.	.	PUNCT
ecletica-424	163	1	[	[	X
ecletica-424	163	2	27	27	NUM
ecletica-424	163	3	]	]	PUNCT
ecletica-424	163	4	a.	a.	NOUN
ecletica-424	163	5	komornicki	komornicki	PROPN
ecletica-424	163	6	and	and	CCONJ
ecletica-424	163	7	g.	g.	PROPN
ecletica-424	163	8	fitzgerald	fitzgerald	PROPN
ecletica-424	163	9	,	,	PUNCT
ecletica-424	163	10	j.	j.	PROPN
ecletica-424	163	11	chem	chem	PROPN
ecletica-424	163	12	.	.	PUNCT
ecletica-424	164	1	phys	phy	NOUN
ecletica-424	164	2	.	.	PUNCT
ecletica-424	165	1	98	98	NUM
ecletica-424	165	2	(	(	PUNCT
ecletica-424	165	3	1993	1993	NUM
ecletica-424	165	4	)	)	PUNCT
ecletica-424	165	5	1398	1398	NUM
ecletica-424	165	6	.	.	PUNCT
ecletica-424	166	1	[	[	X
ecletica-424	166	2	28	28	NUM
ecletica-424	166	3	]	]	X
ecletica-424	166	4	j.	j.	PROPN
ecletica-424	166	5	guo	guo	PROPN
ecletica-424	166	6	and	and	CCONJ
ecletica-424	166	7	x.	x.	NOUN
ecletica-424	166	8	zhang	zhang	PROPN
ecletica-424	166	9	,	,	PUNCT
ecletica-424	166	10	carbohydrate	carbohydrate	VERB
ecletica-424	166	11	research	research	NOUN
ecletica-424	166	12	339	339	NUM
ecletica-424	166	13	(	(	PUNCT
ecletica-424	166	14	2004	2004	NUM
ecletica-424	166	15	)	)	PUNCT
ecletica-424	166	16	1421	1421	NUM
ecletica-424	166	17	-	-	SYM
ecletica-424	166	18	1426	1426	NUM
ecletica-424	166	19	.	.	PUNCT
ecletica-424	167	1	21ecl	21ecl	X
ecletica-424	167	2	.	.	PUNCT
ecletica-424	168	1	quím	quím	PROPN
ecletica-424	168	2	.	.	PUNCT
ecletica-424	168	3	,	,	PUNCT
ecletica-424	168	4	são	são	PROPN
ecletica-424	168	5	paulo	paulo	PROPN
ecletica-424	168	6	,	,	PUNCT
ecletica-424	168	7	31(3	31(3	NUM
ecletica-424	168	8	):	):	PUNCT
ecletica-424	168	9	15	15	NUM
ecletica-424	168	10	-	-	SYM
ecletica-424	168	11	21	21	NUM
ecletica-424	168	12	,	,	PUNCT
ecletica-424	168	13	2006	2006	NUM