id	sid	tid	token	lemma	pos
bibechana-4923	1	1	microsoft	microsoft	PROPN
bibechana-4923	1	2	word	word	PROPN
bibechana-4923	1	3	bhawani	bhawani	PROPN
bibechana-4923	1	4	datt	datt	PROPN
bibechana-4923	1	5	joshi	joshi	PROPN
bibechana-4923	2	1	et	et	PROPN
bibechana-4923	2	2	al	al	PROPN
bibechana-4923	2	3	_	_	PROPN
bibechana-4923	2	4	73	73	NUM
bibechana-4923	2	5	-	-	SYM
bibechana-4923	2	6	79_.doc	79_.doc	NUM
bibechana-4923	2	7	bhawani	bhawani	NOUN
bibechana-4923	2	8	datt	datt	PROPN
bibechana-4923	2	9	joshi	joshi	PROPN
bibechana-4923	2	10	et	et	PROPN
bibechana-4923	2	11	al./	al./	ADV
bibechana-4923	2	12	bibechana	bibechana	PROPN
bibechana-4923	2	13	8	8	NUM
bibechana-4923	2	14	(	(	PUNCT
bibechana-4923	2	15	2012	2012	NUM
bibechana-4923	2	16	)	)	PUNCT
bibechana-4923	2	17	73	73	NUM
bibechana-4923	2	18	-	-	SYM
bibechana-4923	2	19	80	80	NUM
bibechana-4923	2	20	:	:	PUNCT
bibechana-4923	2	21	bmhss	bmhss	PROPN
bibechana-4923	2	22	,	,	PUNCT
bibechana-4923	2	23	p.73	p.73	PROPN
bibechana-4923	2	24	bibechana	bibechana	NOUN
bibechana-4923	2	25	a	a	DET
bibechana-4923	2	26	multidisciplinary	multidisciplinary	ADJ
bibechana-4923	2	27	journal	journal	NOUN
bibechana-4923	2	28	of	of	ADP
bibechana-4923	2	29	science	science	NOUN
bibechana-4923	2	30	,	,	PUNCT
bibechana-4923	2	31	technology	technology	NOUN
bibechana-4923	2	32	and	and	CCONJ
bibechana-4923	2	33	mathematics	mathematic	NOUN
bibechana-4923	2	34	issn	issn	VERB
bibechana-4923	2	35	2091	2091	NUM
bibechana-4923	2	36	-	-	SYM
bibechana-4923	2	37	0762	0762	NUM
bibechana-4923	2	38	(	(	PUNCT
bibechana-4923	2	39	online	online	ADJ
bibechana-4923	2	40	)	)	PUNCT
bibechana-4923	2	41	journal	journal	NOUN
bibechana-4923	2	42	homepage	homepage	NOUN
bibechana-4923	2	43	:	:	PUNCT
bibechana-4923	2	44	http://nepjol.info/index.php/bibechana	http://nepjol.info/index.php/bibechana	X
bibechana-4923	2	45	molecular	molecular	ADJ
bibechana-4923	2	46	characterization	characterization	NOUN
bibechana-4923	2	47	of	of	ADP
bibechana-4923	2	48	yohimbine	yohimbine	NOUN
bibechana-4923	2	49	hydrochloride	hydrochloride	NOUN
bibechana-4923	2	50	using	use	VERB
bibechana-4923	2	51	vibrational	vibrational	ADJ
bibechana-4923	2	52	spectroscopy	spectroscopy	NOUN
bibechana-4923	2	53	and	and	CCONJ
bibechana-4923	2	54	quantum	quantum	NOUN
bibechana-4923	2	55	chemical	chemical	NOUN
bibechana-4923	2	56	calculations	calculation	NOUN
bibechana-4923	2	57	bhawani	bhawani	PROPN
bibechana-4923	2	58	datt	datt	PROPN
bibechana-4923	2	59	joshi	joshi	PROPN
bibechana-4923	2	60	1,3	1,3	PROPN
bibechana-4923	2	61	,	,	PUNCT
bibechana-4923	2	62	poonam	poonam	PROPN
bibechana-4923	2	63	tandon	tandon	PROPN
bibechana-4923	2	64	1	1	NUM
bibechana-4923	2	65	,	,	PUNCT
bibechana-4923	2	66	*	*	PUNCT
bibechana-4923	2	67	and	and	CCONJ
bibechana-4923	2	68	sudha	sudha	PROPN
bibechana-4923	2	69	jain	jain	PROPN
bibechana-4923	2	70	2	2	NUM
bibechana-4923	2	71	1department	1department	NUM
bibechana-4923	2	72	of	of	ADP
bibechana-4923	2	73	physics	physics	PROPN
bibechana-4923	2	74	,	,	PUNCT
bibechana-4923	2	75	university	university	PROPN
bibechana-4923	2	76	of	of	ADP
bibechana-4923	2	77	lucknow	lucknow	PROPN
bibechana-4923	2	78	,	,	PUNCT
bibechana-4923	2	79	lucknow-226007	lucknow-226007	PROPN
bibechana-4923	2	80	,	,	PUNCT
bibechana-4923	2	81	india	india	PROPN
bibechana-4923	2	82	2department	2department	PROPN
bibechana-4923	2	83	of	of	ADP
bibechana-4923	2	84	chemistry	chemistry	NOUN
bibechana-4923	2	85	,	,	PUNCT
bibechana-4923	2	86	university	university	NOUN
bibechana-4923	2	87	of	of	ADP
bibechana-4923	2	88	lucknow	lucknow	PROPN
bibechana-4923	2	89	,	,	PUNCT
bibechana-4923	2	90	lucknow-226007	lucknow-226007	PROPN
bibechana-4923	2	91	,	,	PUNCT
bibechana-4923	2	92	india	india	PROPN
bibechana-4923	2	93	3department	3department	PROPN
bibechana-4923	2	94	of	of	ADP
bibechana-4923	2	95	physics	physics	PROPN
bibechana-4923	2	96	,	,	PUNCT
bibechana-4923	2	97	siddhanath	siddhanath	PROPN
bibechana-4923	2	98	sc	sc	PROPN
bibechana-4923	2	99	.	.	PUNCT
bibechana-4923	2	100	campus	campus	PROPN
bibechana-4923	2	101	,	,	PUNCT
bibechana-4923	2	102	mahendranagar	mahendranagar	NOUN
bibechana-4923	2	103	,	,	PUNCT
bibechana-4923	2	104	tribhuvan	tribhuvan	PROPN
bibechana-4923	2	105	university	university	PROPN
bibechana-4923	2	106	,	,	PUNCT
bibechana-4923	2	107	nepal	nepal	NOUN
bibechana-4923	2	108	*	*	PUNCT
bibechana-4923	2	109	corresponding	correspond	VERB
bibechana-4923	2	110	author	author	NOUN
bibechana-4923	2	111	.	.	PUNCT
bibechana-4923	3	1	tel	tel	PROPN
bibechana-4923	3	2	.	.	PUNCT
bibechana-4923	3	3	:	:	PUNCT
bibechana-4923	4	1	+91	+91	NOUN
bibechana-4923	4	2	522	522	NUM
bibechana-4923	4	3	2782653	2782653	NUM
bibechana-4923	4	4	;	;	PUNCT
bibechana-4923	4	5	fax	fax	NOUN
bibechana-4923	4	6	:	:	PUNCT
bibechana-4923	4	7	+91	+91	NOUN
bibechana-4923	4	8	522	522	NUM
bibechana-4923	4	9	2740840	2740840	NUM
bibechana-4923	4	10	.	.	PUNCT
bibechana-4923	5	1	e	e	X
bibechana-4923	5	2	-	-	NOUN
bibechana-4923	5	3	mail	mail	NOUN
bibechana-4923	5	4	address	address	NOUN
bibechana-4923	5	5	:	:	PUNCT
bibechana-4923	5	6	poonam_tandon@yahoo.co.uk	poonam_tandon@yahoo.co.uk	NOUN
bibechana-4923	5	7	,	,	PUNCT
bibechana-4923	5	8	poonam_tandon@hotmail.com	poonam_tandon@hotmail.com	X
bibechana-4923	5	9	(	(	PUNCT
bibechana-4923	5	10	p.	p.	NOUN
bibechana-4923	5	11	tandon	tandon	PROPN
bibechana-4923	5	12	)	)	PUNCT
bibechana-4923	5	13	article	article	NOUN
bibechana-4923	5	14	history	history	NOUN
bibechana-4923	5	15	:	:	PUNCT
bibechana-4923	5	16	received	receive	VERB
bibechana-4923	5	17	22	22	NUM
bibechana-4923	5	18	june	june	PROPN
bibechana-4923	5	19	,	,	PUNCT
bibechana-4923	5	20	2011	2011	NUM
bibechana-4923	5	21	;	;	PUNCT
bibechana-4923	5	22	accepted	accept	VERB
bibechana-4923	5	23	20	20	NUM
bibechana-4923	5	24	august	august	PROPN
bibechana-4923	5	25	,	,	PUNCT
bibechana-4923	5	26	2011	2011	NUM
bibechana-4923	5	27	abstract	abstract	NOUN
bibechana-4923	5	28	in	in	ADP
bibechana-4923	5	29	this	this	DET
bibechana-4923	5	30	work	work	NOUN
bibechana-4923	5	31	,	,	PUNCT
bibechana-4923	5	32	we	we	PRON
bibechana-4923	5	33	have	have	AUX
bibechana-4923	5	34	performed	perform	VERB
bibechana-4923	5	35	the	the	DET
bibechana-4923	5	36	extraction	extraction	NOUN
bibechana-4923	5	37	of	of	ADP
bibechana-4923	5	38	yohimbine	yohimbine	NOUN
bibechana-4923	5	39	hydrochloride	hydrochloride	NOUN
bibechana-4923	5	40	(	(	PUNCT
bibechana-4923	5	41	c21h27cln2o3	c21h27cln2o3	NOUN
bibechana-4923	5	42	)	)	PUNCT
bibechana-4923	5	43	(	(	PUNCT
bibechana-4923	5	44	yhcl	yhcl	NUM
bibechana-4923	5	45	)	)	PUNCT
bibechana-4923	5	46	.	.	PUNCT
bibechana-4923	6	1	the	the	DET
bibechana-4923	6	2	optimized	optimize	VERB
bibechana-4923	6	3	geometry	geometry	NOUN
bibechana-4923	6	4	,	,	PUNCT
bibechana-4923	6	5	total	total	ADJ
bibechana-4923	6	6	energy	energy	NOUN
bibechana-4923	6	7	,	,	PUNCT
bibechana-4923	6	8	potential	potential	ADJ
bibechana-4923	6	9	energy	energy	NOUN
bibechana-4923	6	10	surface	surface	NOUN
bibechana-4923	6	11	and	and	CCONJ
bibechana-4923	6	12	vibrational	vibrational	ADJ
bibechana-4923	6	13	wavenumbers	wavenumber	NOUN
bibechana-4923	6	14	of	of	ADP
bibechana-4923	6	15	yhcl	yhcl	PROPN
bibechana-4923	6	16	have	have	AUX
bibechana-4923	6	17	been	be	AUX
bibechana-4923	6	18	determined	determine	VERB
bibechana-4923	6	19	by	by	ADP
bibechana-4923	6	20	using	use	VERB
bibechana-4923	6	21	ab	ab	PROPN
bibechana-4923	6	22	initio	initio	PROPN
bibechana-4923	6	23	hartree	hartree	ADJ
bibechana-4923	6	24	–	–	PUNCT
bibechana-4923	6	25	fock	fock	ADJ
bibechana-4923	6	26	(	(	PUNCT
bibechana-4923	6	27	hf	hf	NOUN
bibechana-4923	6	28	)	)	PUNCT
bibechana-4923	6	29	and	and	CCONJ
bibechana-4923	6	30	density	density	NOUN
bibechana-4923	6	31	functional	functional	ADJ
bibechana-4923	6	32	theory	theory	NOUN
bibechana-4923	6	33	(	(	PUNCT
bibechana-4923	6	34	dft	dft	PROPN
bibechana-4923	6	35	/	/	SYM
bibechana-4923	6	36	b3lyp	b3lyp	NOUN
bibechana-4923	6	37	)	)	PUNCT
bibechana-4923	6	38	method	method	NOUN
bibechana-4923	6	39	with	with	ADP
bibechana-4923	6	40	6	6	NUM
bibechana-4923	6	41	-	-	PUNCT
bibechana-4923	6	42	311++g(d	311++g(d	ADJ
bibechana-4923	6	43	,	,	PUNCT
bibechana-4923	6	44	p	p	NOUN
bibechana-4923	6	45	)	)	PUNCT
bibechana-4923	6	46	basis	basis	NOUN
bibechana-4923	6	47	set	set	NOUN
bibechana-4923	6	48	.	.	PUNCT
bibechana-4923	7	1	the	the	DET
bibechana-4923	7	2	calculated	calculate	VERB
bibechana-4923	7	3	wavenumbers	wavenumber	NOUN
bibechana-4923	7	4	are	be	AUX
bibechana-4923	7	5	scaled	scale	VERB
bibechana-4923	7	6	by	by	ADP
bibechana-4923	7	7	a	a	DET
bibechana-4923	7	8	proper	proper	ADJ
bibechana-4923	7	9	scaling	scaling	NOUN
bibechana-4923	7	10	factor	factor	NOUN
bibechana-4923	7	11	.	.	PUNCT
bibechana-4923	8	1	a	a	DET
bibechana-4923	8	2	selected	select	VERB
bibechana-4923	8	3	number	number	NOUN
bibechana-4923	8	4	of	of	ADP
bibechana-4923	8	5	vibrational	vibrational	ADJ
bibechana-4923	8	6	assignment	assignment	NOUN
bibechana-4923	8	7	is	be	AUX
bibechana-4923	8	8	provided	provide	VERB
bibechana-4923	8	9	for	for	ADP
bibechana-4923	8	10	the	the	DET
bibechana-4923	8	11	observed	observed	ADJ
bibechana-4923	8	12	raman	raman	NOUN
bibechana-4923	8	13	and	and	CCONJ
bibechana-4923	8	14	ir	ir	PROPN
bibechana-4923	8	15	spectra	spectra	PROPN
bibechana-4923	8	16	.	.	PUNCT
bibechana-4923	9	1	keywords	keyword	NOUN
bibechana-4923	9	2	:	:	PUNCT
bibechana-4923	9	3	yhcl	yhcl	PROPN
bibechana-4923	9	4	;	;	PUNCT
bibechana-4923	9	5	vibrational	vibrational	ADJ
bibechana-4923	9	6	spectroscopy	spectroscopy	NOUN
bibechana-4923	9	7	;	;	PUNCT
bibechana-4923	9	8	esp	esp	ADV
bibechana-4923	9	9	;	;	PUNCT
bibechana-4923	9	10	ab	ab	PROPN
bibechana-4923	9	11	initio	initio	PROPN
bibechana-4923	9	12	and	and	CCONJ
bibechana-4923	9	13	dft	dft	PROPN
bibechana-4923	9	14	calculations	calculation	NOUN
bibechana-4923	9	15	1	1	NUM
bibechana-4923	9	16	.	.	PUNCT
bibechana-4923	9	17	introduction	introduction	NOUN
bibechana-4923	9	18	yohimbine	yohimbine	NOUN
bibechana-4923	9	19	,	,	PUNCT
bibechana-4923	9	20	an	an	DET
bibechana-4923	9	21	indole	indole	ADJ
bibechana-4923	9	22	alkaloid	alkaloid	NOUN
bibechana-4923	9	23	is	be	AUX
bibechana-4923	9	24	the	the	DET
bibechana-4923	9	25	active	active	ADJ
bibechana-4923	9	26	ingredient	ingredient	NOUN
bibechana-4923	9	27	obtained	obtain	VERB
bibechana-4923	9	28	from	from	ADP
bibechana-4923	9	29	the	the	DET
bibechana-4923	9	30	bark	bark	NOUN
bibechana-4923	9	31	of	of	ADP
bibechana-4923	9	32	various	various	ADJ
bibechana-4923	9	33	tropical	tropical	ADJ
bibechana-4923	9	34	trees	tree	NOUN
bibechana-4923	9	35	such	such	ADJ
bibechana-4923	9	36	as	as	ADP
bibechana-4923	9	37	pausinystalia	pausinystalia	NOUN
bibechana-4923	9	38	yohimbe	yohimbe	NOUN
bibechana-4923	9	39	(	(	PUNCT
bibechana-4923	9	40	formarly	formarly	ADV
bibechana-4923	9	41	corynanthe	corynanthe	PRON
bibechana-4923	9	42	yohimbe	yohimbe	NOUN
bibechana-4923	9	43	)	)	PUNCT
bibechana-4923	9	44	,	,	PUNCT
bibechana-4923	9	45	a	a	DET
bibechana-4923	9	46	tall	tall	ADJ
bibechana-4923	9	47	evergreen	evergreen	NOUN
bibechana-4923	9	48	tree	tree	NOUN
bibechana-4923	9	49	indigenous	indigenous	ADJ
bibechana-4923	9	50	to	to	ADP
bibechana-4923	9	51	southern	southern	ADJ
bibechana-4923	9	52	african	african	ADJ
bibechana-4923	9	53	countries	country	NOUN
bibechana-4923	9	54	,	,	PUNCT
bibechana-4923	9	55	and	and	CCONJ
bibechana-4923	9	56	from	from	ADP
bibechana-4923	9	57	the	the	DET
bibechana-4923	9	58	indian	indian	ADJ
bibechana-4923	9	59	snake	snake	NOUN
bibechana-4923	9	60	root	root	PROPN
bibechana-4923	9	61	rauwolfia	rauwolfia	PROPN
bibechana-4923	9	62	serpentina	serpentina	NOUN
bibechana-4923	9	63	[	[	X
bibechana-4923	9	64	1,2	1,2	NUM
bibechana-4923	9	65	]	]	PUNCT
bibechana-4923	9	66	.	.	PUNCT
bibechana-4923	10	1	yohimbine	yohimbine	NOUN
bibechana-4923	10	2	hydrochloride	hydrochloride	NOUN
bibechana-4923	10	3	(	(	PUNCT
bibechana-4923	10	4	17α	17α	X
bibechana-4923	10	5	–	–	PUNCT
bibechana-4923	10	6	hydroxy	hydroxy	PROPN
bibechana-4923	10	7	–	–	PUNCT
bibechana-4923	10	8	yohimbane	yohimbane	ADJ
bibechana-4923	10	9	16α	16α	NOUN
bibechana-4923	10	10	–	–	PUNCT
bibechana-4923	10	11	carboxylic	carboxylic	ADJ
bibechana-4923	10	12	acid	acid	NOUN
bibechana-4923	10	13	methyl	methyl	NOUN
bibechana-4923	10	14	ester	ester	NOUN
bibechana-4923	10	15	hydrochloride	hydrochloride	NOUN
bibechana-4923	10	16	)	)	PUNCT
bibechana-4923	10	17	,	,	PUNCT
bibechana-4923	10	18	a	a	DET
bibechana-4923	10	19	standard	standard	ADJ
bibechana-4923	10	20	form	form	NOUN
bibechana-4923	10	21	belongs	belong	VERB
bibechana-4923	10	22	to	to	ADP
bibechana-4923	10	23	an	an	DET
bibechana-4923	10	24	orthorhombic	orthorhombic	ADJ
bibechana-4923	10	25	system	system	NOUN
bibechana-4923	10	26	,	,	PUNCT
bibechana-4923	10	27	probable	probable	ADJ
bibechana-4923	10	28	space	space	NOUN
bibechana-4923	10	29	group	group	NOUN
bibechana-4923	10	30	p212121	p212121	VERB
bibechana-4923	10	31	having	have	VERB
bibechana-4923	10	32	lattice	lattice	NOUN
bibechana-4923	10	33	parameters	parameter	NOUN
bibechana-4923	10	34	,	,	PUNCT
bibechana-4923	10	35	a	a	DET
bibechana-4923	10	36	=	=	ADJ
bibechana-4923	10	37	11.54å	11.54å	NOUN
bibechana-4923	10	38	,	,	PUNCT
bibechana-4923	10	39	b	b	NOUN
bibechana-4923	10	40	=	=	SYM
bibechana-4923	10	41	24.88å	24.88å	NUM
bibechana-4923	10	42	,	,	PUNCT
bibechana-4923	10	43	c	c	NOUN
bibechana-4923	10	44	=	=	SYM
bibechana-4923	10	45	7.00å	7.00å	PROPN
bibechana-4923	10	46	and	and	CCONJ
bibechana-4923	10	47	z	z	NOUN
bibechana-4923	10	48	=	=	SYM
bibechana-4923	10	49	4	4	NUM
bibechana-4923	10	50	[	[	X
bibechana-4923	10	51	2	2	NUM
bibechana-4923	10	52	]	]	PUNCT
bibechana-4923	10	53	.	.	PUNCT
bibechana-4923	11	1	it	it	PRON
bibechana-4923	11	2	has	have	AUX
bibechana-4923	11	3	been	be	AUX
bibechana-4923	11	4	known	know	VERB
bibechana-4923	11	5	as	as	ADP
bibechana-4923	11	6	an	an	DET
bibechana-4923	11	7	aphrodisiac	aphrodisiac	NOUN
bibechana-4923	11	8	compound	compound	NOUN
bibechana-4923	11	9	[	[	X
bibechana-4923	11	10	2,3	2,3	NUM
bibechana-4923	11	11	]	]	PUNCT
bibechana-4923	11	12	and	and	CCONJ
bibechana-4923	11	13	used	use	VERB
bibechana-4923	11	14	traditionally	traditionally	ADV
bibechana-4923	11	15	since	since	SCONJ
bibechana-4923	11	16	before	before	ADP
bibechana-4923	11	17	the	the	DET
bibechana-4923	11	18	last	last	ADJ
bibechana-4923	11	19	century	century	NOUN
bibechana-4923	11	20	,	,	PUNCT
bibechana-4923	11	21	even	even	ADV
bibechana-4923	11	22	in	in	ADP
bibechana-4923	11	23	the	the	DET
bibechana-4923	11	24	crude	crude	ADJ
bibechana-4923	11	25	form	form	NOUN
bibechana-4923	11	26	by	by	ADP
bibechana-4923	11	27	the	the	DET
bibechana-4923	11	28	african	african	ADJ
bibechana-4923	11	29	natives	native	NOUN
bibechana-4923	11	30	,	,	PUNCT
bibechana-4923	11	31	and	and	CCONJ
bibechana-4923	11	32	promoted	promote	VERB
bibechana-4923	11	33	for	for	ADP
bibechana-4923	11	34	erectile	erectile	ADJ
bibechana-4923	11	35	dysfunction	dysfunction	NOUN
bibechana-4923	11	36	,	,	PUNCT
bibechana-4923	11	37	weight	weight	NOUN
bibechana-4923	11	38	loss	loss	NOUN
bibechana-4923	11	39	(	(	PUNCT
bibechana-4923	11	40	by	by	ADP
bibechana-4923	11	41	releasing	release	VERB
bibechana-4923	11	42	norepinephrine	norepinephrine	NOUN
bibechana-4923	11	43	and	and	CCONJ
bibechana-4923	11	44	blocking	block	VERB
bibechana-4923	11	45	alpha-2	alpha-2	NUM
bibechana-4923	11	46	receptors	receptor	NOUN
bibechana-4923	11	47	)	)	PUNCT
bibechana-4923	11	48	and	and	CCONJ
bibechana-4923	11	49	depression	depression	NOUN
bibechana-4923	11	50	(	(	PUNCT
bibechana-4923	11	51	by	by	ADP
bibechana-4923	11	52	blocking	block	VERB
bibechana-4923	11	53	an	an	DET
bibechana-4923	11	54	enzyme	enzyme	NOUN
bibechana-4923	11	55	called	call	VERB
bibechana-4923	11	56	monoamine	monoamine	ADJ
bibechana-4923	11	57	oxidase	oxidase	NOUN
bibechana-4923	11	58	)	)	PUNCT
bibechana-4923	12	1	[	[	X
bibechana-4923	12	2	4	4	NUM
bibechana-4923	12	3	-	-	SYM
bibechana-4923	12	4	6	6	NUM
bibechana-4923	12	5	]	]	PUNCT
bibechana-4923	12	6	.	.	PUNCT
bibechana-4923	13	1	it	it	PRON
bibechana-4923	13	2	is	be	AUX
bibechana-4923	13	3	used	use	VERB
bibechana-4923	13	4	in	in	ADP
bibechana-4923	13	5	tablets	tablet	NOUN
bibechana-4923	13	6	,	,	PUNCT
bibechana-4923	13	7	capsule	capsule	NOUN
bibechana-4923	13	8	and	and	CCONJ
bibechana-4923	13	9	tincture	tincture	NOUN
bibechana-4923	13	10	form	form	NOUN
bibechana-4923	13	11	for	for	ADP
bibechana-4923	13	12	increased	increase	VERB
bibechana-4923	13	13	serumtesterone	serumtesterone	NOUN
bibechana-4923	13	14	levels	level	NOUN
bibechana-4923	13	15	,	,	PUNCT
bibechana-4923	13	16	muscle	muscle	NOUN
bibechana-4923	13	17	growth	growth	NOUN
bibechana-4923	13	18	and	and	CCONJ
bibechana-4923	13	19	strength	strength	NOUN
bibechana-4923	13	20	,	,	PUNCT
bibechana-4923	13	21	weight	weight	NOUN
bibechana-4923	13	22	-	-	PUNCT
bibechana-4923	13	23	loss	loss	NOUN
bibechana-4923	13	24	,	,	PUNCT
bibechana-4923	13	25	reduce	reduce	VERB
bibechana-4923	13	26	fatigue	fatigue	NOUN
bibechana-4923	13	27	in	in	ADP
bibechana-4923	13	28	aids	aids	NOUN
bibechana-4923	13	29	patients	patient	NOUN
bibechana-4923	13	30	and	and	CCONJ
bibechana-4923	13	31	libido	libido	ADJ
bibechana-4923	13	32	enhancer	enhancer	NOUN
bibechana-4923	14	1	[	[	X
bibechana-4923	14	2	7	7	NUM
bibechana-4923	14	3	]	]	PUNCT
bibechana-4923	14	4	.	.	PUNCT
bibechana-4923	15	1	also	also	ADV
bibechana-4923	15	2	it	it	PRON
bibechana-4923	15	3	has	have	AUX
bibechana-4923	15	4	been	be	AUX
bibechana-4923	15	5	reported	report	VERB
bibechana-4923	15	6	as	as	ADP
bibechana-4923	15	7	traditional	traditional	ADJ
bibechana-4923	15	8	medicine	medicine	NOUN
bibechana-4923	15	9	to	to	PART
bibechana-4923	15	10	treat	treat	VERB
bibechana-4923	15	11	high	high	ADJ
bibechana-4923	15	12	blood	blood	NOUN
bibechana-4923	15	13	pressure	pressure	NOUN
bibechana-4923	15	14	,	,	PUNCT
bibechana-4923	15	15	chest	chest	NOUN
bibechana-4923	15	16	pain	pain	NOUN
bibechana-4923	15	17	,	,	PUNCT
bibechana-4923	15	18	agerelated	agerelate	VERB
bibechana-4923	15	19	cognitive	cognitive	ADJ
bibechana-4923	15	20	disorders	disorder	NOUN
bibechana-4923	15	21	and	and	CCONJ
bibechana-4923	15	22	obesity	obesity	NOUN
bibechana-4923	15	23	[	[	X
bibechana-4923	15	24	8	8	NUM
bibechana-4923	15	25	]	]	PUNCT
bibechana-4923	15	26	.	.	PUNCT
bibechana-4923	16	1	as	as	SCONJ
bibechana-4923	16	2	the	the	DET
bibechana-4923	16	3	literature	literature	NOUN
bibechana-4923	16	4	survey	survey	NOUN
bibechana-4923	16	5	reveals	reveal	VERB
bibechana-4923	16	6	neither	neither	CCONJ
bibechana-4923	16	7	raman	raman	NOUN
bibechana-4923	16	8	and	and	CCONJ
bibechana-4923	16	9	ir	ir	PROPN
bibechana-4923	16	10	spectra	spectra	ADJ
bibechana-4923	16	11	nor	nor	CCONJ
bibechana-4923	16	12	quantum	quantum	ADJ
bibechana-4923	16	13	chemical	chemical	NOUN
bibechana-4923	16	14	calculations	calculation	NOUN
bibechana-4923	16	15	for	for	ADP
bibechana-4923	16	16	yhcl	yhcl	PROPN
bibechana-4923	16	17	molecule	molecule	NOUN
bibechana-4923	16	18	have	have	AUX
bibechana-4923	16	19	been	be	AUX
bibechana-4923	16	20	reported	report	VERB
bibechana-4923	16	21	so	so	ADV
bibechana-4923	16	22	far	far	ADV
bibechana-4923	16	23	,	,	PUNCT
bibechana-4923	16	24	hence	hence	ADV
bibechana-4923	16	25	the	the	DET
bibechana-4923	16	26	present	present	ADJ
bibechana-4923	16	27	work	work	NOUN
bibechana-4923	16	28	was	be	AUX
bibechana-4923	16	29	undertaken	undertake	VERB
bibechana-4923	16	30	to	to	PART
bibechana-4923	16	31	study	study	VERB
bibechana-4923	16	32	the	the	DET
bibechana-4923	16	33	vibrational	vibrational	ADJ
bibechana-4923	16	34	spectra	spectra	NOUN
bibechana-4923	16	35	with	with	ADP
bibechana-4923	16	36	quantum	quantum	ADJ
bibechana-4923	16	37	chemical	chemical	NOUN
bibechana-4923	16	38	calculation	calculation	NOUN
bibechana-4923	16	39	with	with	ADP
bibechana-4923	16	40	greater	great	ADJ
bibechana-4923	16	41	accuracy	accuracy	NOUN
bibechana-4923	16	42	.	.	PUNCT
bibechana-4923	17	1	although	although	SCONJ
bibechana-4923	17	2	x	x	X
bibechana-4923	17	3	-	-	NOUN
bibechana-4923	17	4	ray	ray	NOUN
bibechana-4923	17	5	diffraction	diffraction	NOUN
bibechana-4923	17	6	method	method	NOUN
bibechana-4923	17	7	is	be	AUX
bibechana-4923	17	8	one	one	NUM
bibechana-4923	17	9	of	of	ADP
bibechana-4923	17	10	the	the	DET
bibechana-4923	17	11	most	most	ADV
bibechana-4923	17	12	frequently	frequently	ADV
bibechana-4923	17	13	applied	apply	VERB
bibechana-4923	17	14	techniques	technique	NOUN
bibechana-4923	17	15	for	for	ADP
bibechana-4923	17	16	structural	structural	ADJ
bibechana-4923	17	17	characterization	characterization	NOUN
bibechana-4923	17	18	of	of	ADP
bibechana-4923	17	19	pharmaceutical	pharmaceutical	NOUN
bibechana-4923	17	20	compounds	compound	NOUN
bibechana-4923	17	21	but	but	CCONJ
bibechana-4923	17	22	the	the	DET
bibechana-4923	17	23	use	use	NOUN
bibechana-4923	17	24	of	of	ADP
bibechana-4923	17	25	vibrational	vibrational	ADJ
bibechana-4923	17	26	spectroscopy	spectroscopy	NOUN
bibechana-4923	17	27	is	be	AUX
bibechana-4923	17	28	also	also	ADV
bibechana-4923	17	29	gaining	gain	VERB
bibechana-4923	17	30	increasing	increase	VERB
bibechana-4923	17	31	attention	attention	NOUN
bibechana-4923	17	32	.	.	PUNCT
bibechana-4923	18	1	x	x	X
bibechana-4923	18	2	-	-	PUNCT
bibechana-4923	18	3	ray	ray	NOUN
bibechana-4923	18	4	diffraction	diffraction	NOUN
bibechana-4923	18	5	techniques	technique	NOUN
bibechana-4923	18	6	are	be	AUX
bibechana-4923	18	7	sensible	sensible	ADJ
bibechana-4923	18	8	to	to	ADP
bibechana-4923	18	9	the	the	DET
bibechana-4923	18	10	long	long	ADJ
bibechana-4923	18	11	-	-	PUNCT
bibechana-4923	18	12	range	range	NOUN
bibechana-4923	18	13	order	order	NOUN
bibechana-4923	18	14	while	while	SCONJ
bibechana-4923	18	15	vibrational	vibrational	ADJ
bibechana-4923	18	16	spectroscopy	spectroscopy	NOUN
bibechana-4923	18	17	(	(	PUNCT
bibechana-4923	18	18	ir	ir	X
bibechana-4923	18	19	[	[	X
bibechana-4923	18	20	9	9	NUM
bibechana-4923	18	21	]	]	PUNCT
bibechana-4923	18	22	and	and	CCONJ
bibechana-4923	18	23	raman	raman	VERB
bibechana-4923	18	24	[	[	X
bibechana-4923	18	25	10	10	NUM
bibechana-4923	18	26	]	]	PUNCT
bibechana-4923	18	27	)	)	PUNCT
bibechana-4923	18	28	is	be	AUX
bibechana-4923	18	29	applicable	applicable	ADJ
bibechana-4923	18	30	to	to	ADP
bibechana-4923	18	31	the	the	DET
bibechana-4923	18	32	short	short	ADJ
bibechana-4923	18	33	-	-	PUNCT
bibechana-4923	18	34	range	range	NOUN
bibechana-4923	18	35	structure	structure	NOUN
bibechana-4923	18	36	of	of	ADP
bibechana-4923	18	37	molecular	molecular	ADJ
bibechana-4923	18	38	solids	solid	NOUN
bibechana-4923	18	39	.	.	PUNCT
bibechana-4923	19	1	bhawani	bhawani	PROPN
bibechana-4923	19	2	datt	datt	PROPN
bibechana-4923	19	3	joshi	joshi	PROPN
bibechana-4923	19	4	et	et	PROPN
bibechana-4923	19	5	al./	al./	ADV
bibechana-4923	19	6	bibechana	bibechana	PROPN
bibechana-4923	19	7	8	8	NUM
bibechana-4923	19	8	(	(	PUNCT
bibechana-4923	19	9	2012	2012	NUM
bibechana-4923	19	10	)	)	PUNCT
bibechana-4923	19	11	73	73	NUM
bibechana-4923	19	12	-	-	SYM
bibechana-4923	19	13	80	80	NUM
bibechana-4923	19	14	:	:	PUNCT
bibechana-4923	19	15	bmhss	bmhss	PROPN
bibechana-4923	19	16	,	,	PUNCT
bibechana-4923	19	17	p.74	p.74	PROPN
bibechana-4923	19	18	fig	fig	NOUN
bibechana-4923	19	19	.	.	PUNCT
bibechana-4923	20	1	1	1	NUM
bibechana-4923	20	2	:	:	PUNCT
bibechana-4923	20	3	crystal	crystal	NOUN
bibechana-4923	20	4	structure	structure	NOUN
bibechana-4923	20	5	of	of	ADP
bibechana-4923	20	6	yhcl	yhcl	PROPN
bibechana-4923	20	7	.	.	PUNCT
bibechana-4923	21	1	fig	fig	NOUN
bibechana-4923	21	2	.	.	PUNCT
bibechana-4923	22	1	2	2	NUM
bibechana-4923	22	2	:	:	PUNCT
bibechana-4923	22	3	optimized	optimize	VERB
bibechana-4923	22	4	structure	structure	NOUN
bibechana-4923	22	5	of	of	ADP
bibechana-4923	22	6	yhcl	yhcl	PROPN
bibechana-4923	22	7	.	.	PUNCT
bibechana-4923	23	1	bhawani	bhawani	PROPN
bibechana-4923	23	2	datt	datt	PROPN
bibechana-4923	23	3	joshi	joshi	PROPN
bibechana-4923	23	4	et	et	PROPN
bibechana-4923	23	5	al./	al./	ADV
bibechana-4923	23	6	bibechana	bibechana	PROPN
bibechana-4923	23	7	8	8	NUM
bibechana-4923	23	8	(	(	PUNCT
bibechana-4923	23	9	2012	2012	NUM
bibechana-4923	23	10	)	)	PUNCT
bibechana-4923	23	11	73	73	NUM
bibechana-4923	23	12	-	-	SYM
bibechana-4923	23	13	80	80	NUM
bibechana-4923	23	14	:	:	PUNCT
bibechana-4923	23	15	bmhss	bmhss	PROPN
bibechana-4923	23	16	,	,	PUNCT
bibechana-4923	23	17	p.75	p.75	PROPN
bibechana-4923	23	18	furthermore	furthermore	ADV
bibechana-4923	23	19	,	,	PUNCT
bibechana-4923	23	20	we	we	PRON
bibechana-4923	23	21	interpreted	interpret	VERB
bibechana-4923	23	22	the	the	DET
bibechana-4923	23	23	calculated	calculate	VERB
bibechana-4923	23	24	spectra	spectra	NOUN
bibechana-4923	23	25	in	in	ADP
bibechana-4923	23	26	terms	term	NOUN
bibechana-4923	23	27	of	of	ADP
bibechana-4923	23	28	potential	potential	ADJ
bibechana-4923	23	29	energy	energy	NOUN
bibechana-4923	23	30	distributions	distribution	NOUN
bibechana-4923	23	31	(	(	PUNCT
bibechana-4923	23	32	ped	ped	NOUN
bibechana-4923	23	33	)	)	PUNCT
bibechana-4923	23	34	and	and	CCONJ
bibechana-4923	23	35	made	make	VERB
bibechana-4923	23	36	the	the	DET
bibechana-4923	23	37	assignment	assignment	NOUN
bibechana-4923	23	38	of	of	ADP
bibechana-4923	23	39	the	the	DET
bibechana-4923	23	40	experimental	experimental	ADJ
bibechana-4923	23	41	bands	band	NOUN
bibechana-4923	23	42	due	due	ADP
bibechana-4923	23	43	to	to	ADP
bibechana-4923	23	44	ped	pe	VERB
bibechana-4923	23	45	analysis	analysis	NOUN
bibechana-4923	23	46	results	result	NOUN
bibechana-4923	23	47	.	.	PUNCT
bibechana-4923	24	1	information	information	NOUN
bibechana-4923	24	2	about	about	ADP
bibechana-4923	24	3	the	the	DET
bibechana-4923	24	4	geometry	geometry	NOUN
bibechana-4923	24	5	and	and	CCONJ
bibechana-4923	24	6	structure	structure	NOUN
bibechana-4923	24	7	of	of	ADP
bibechana-4923	24	8	the	the	DET
bibechana-4923	24	9	molecule	molecule	NOUN
bibechana-4923	24	10	with	with	ADP
bibechana-4923	24	11	their	their	PRON
bibechana-4923	24	12	electrostatic	electrostatic	ADJ
bibechana-4923	24	13	potential	potential	ADJ
bibechana-4923	24	14	surfaces	surface	NOUN
bibechana-4923	24	15	should	should	AUX
bibechana-4923	24	16	help	help	VERB
bibechana-4923	24	17	in	in	ADP
bibechana-4923	24	18	understanding	understand	VERB
bibechana-4923	24	19	the	the	DET
bibechana-4923	24	20	structure	structure	NOUN
bibechana-4923	24	21	-	-	PUNCT
bibechana-4923	24	22	activity	activity	NOUN
bibechana-4923	24	23	relationship	relationship	NOUN
bibechana-4923	24	24	.	.	PUNCT
bibechana-4923	25	1	figure	figure	NOUN
bibechana-4923	25	2	1	1	NUM
bibechana-4923	25	3	shows	show	VERB
bibechana-4923	25	4	the	the	DET
bibechana-4923	25	5	crystal	crystal	NOUN
bibechana-4923	25	6	structure	structure	NOUN
bibechana-4923	25	7	of	of	ADP
bibechana-4923	25	8	the	the	DET
bibechana-4923	25	9	yhcl	yhcl	PROPN
bibechana-4923	25	10	molecule	molecule	NOUN
bibechana-4923	25	11	.	.	PUNCT
bibechana-4923	26	1	2	2	X
bibechana-4923	26	2	.	.	X
bibechana-4923	26	3	materials	material	NOUN
bibechana-4923	26	4	and	and	CCONJ
bibechana-4923	26	5	methods	method	NOUN
bibechana-4923	26	6	2.1	2.1	NUM
bibechana-4923	26	7	experimental	experimental	ADJ
bibechana-4923	26	8	methods	method	NOUN
bibechana-4923	26	9	the	the	DET
bibechana-4923	26	10	whole	whole	ADJ
bibechana-4923	26	11	plants	plant	NOUN
bibechana-4923	26	12	of	of	ADP
bibechana-4923	26	13	rauwolfia	rauwolfia	PROPN
bibechana-4923	26	14	serpentine	serpentine	ADJ
bibechana-4923	26	15	benth	benth	NOUN
bibechana-4923	26	16	.	.	PUNCT
bibechana-4923	27	1	(	(	PUNCT
bibechana-4923	27	2	apocynaceae	apocynaceae	PROPN
bibechana-4923	27	3	)	)	PUNCT
bibechana-4923	27	4	were	be	AUX
bibechana-4923	27	5	collected	collect	VERB
bibechana-4923	27	6	from	from	ADP
bibechana-4923	27	7	lucknow	lucknow	PROPN
bibechana-4923	27	8	,	,	PUNCT
bibechana-4923	27	9	uttar	uttar	PROPN
bibechana-4923	27	10	pradesh	pradesh	PROPN
bibechana-4923	27	11	,	,	PUNCT
bibechana-4923	27	12	india	india	PROPN
bibechana-4923	27	13	and	and	CCONJ
bibechana-4923	27	14	identified	identify	VERB
bibechana-4923	27	15	by	by	ADP
bibechana-4923	27	16	the	the	DET
bibechana-4923	27	17	botany	botany	NOUN
bibechana-4923	27	18	division	division	NOUN
bibechana-4923	27	19	of	of	ADP
bibechana-4923	27	20	central	central	ADJ
bibechana-4923	27	21	drug	drug	PROPN
bibechana-4923	27	22	research	research	PROPN
bibechana-4923	27	23	institute	institute	PROPN
bibechana-4923	27	24	,	,	PUNCT
bibechana-4923	27	25	lucknow	lucknow	PROPN
bibechana-4923	27	26	,	,	PUNCT
bibechana-4923	27	27	india	india	PROPN
bibechana-4923	27	28	.	.	PUNCT
bibechana-4923	28	1	the	the	DET
bibechana-4923	28	2	plant	plant	NOUN
bibechana-4923	28	3	material	material	NOUN
bibechana-4923	28	4	(	(	PUNCT
bibechana-4923	28	5	2.4	2.4	NUM
bibechana-4923	28	6	kg	kg	NOUN
bibechana-4923	28	7	)	)	PUNCT
bibechana-4923	28	8	was	be	AUX
bibechana-4923	28	9	air	air	NOUN
bibechana-4923	28	10	-	-	PUNCT
bibechana-4923	28	11	dried	dry	VERB
bibechana-4923	28	12	,	,	PUNCT
bibechana-4923	28	13	powdered	powder	VERB
bibechana-4923	28	14	and	and	CCONJ
bibechana-4923	28	15	percolated	percolate	VERB
bibechana-4923	28	16	with	with	ADP
bibechana-4923	28	17	ethyl	ethyl	PROPN
bibechana-4923	28	18	alcohol	alcohol	NOUN
bibechana-4923	28	19	(	(	PUNCT
bibechana-4923	28	20	6	6	NUM
bibechana-4923	28	21	x	x	SYM
bibechana-4923	28	22	4	4	NUM
bibechana-4923	28	23	lt	lt	NOUN
bibechana-4923	28	24	)	)	PUNCT
bibechana-4923	28	25	at	at	ADP
bibechana-4923	28	26	room	room	NOUN
bibechana-4923	28	27	temperature	temperature	NOUN
bibechana-4923	28	28	.	.	PUNCT
bibechana-4923	29	1	the	the	DET
bibechana-4923	29	2	combined	combine	VERB
bibechana-4923	29	3	percolate	percolate	NOUN
bibechana-4923	29	4	was	be	AUX
bibechana-4923	29	5	concentrated	concentrate	VERB
bibechana-4923	29	6	under	under	ADP
bibechana-4923	29	7	reduced	reduce	VERB
bibechana-4923	29	8	pressure	pressure	NOUN
bibechana-4923	29	9	below	below	ADP
bibechana-4923	29	10	40o	40o	NOUN
bibechana-4923	29	11	to	to	PART
bibechana-4923	29	12	give	give	VERB
bibechana-4923	29	13	the	the	DET
bibechana-4923	29	14	viscous	viscous	ADJ
bibechana-4923	29	15	mass	mass	NOUN
bibechana-4923	29	16	.	.	PUNCT
bibechana-4923	30	1	the	the	DET
bibechana-4923	30	2	material	material	NOUN
bibechana-4923	30	3	was	be	AUX
bibechana-4923	30	4	partitioned	partition	VERB
bibechana-4923	30	5	between	between	ADP
bibechana-4923	30	6	2	2	NUM
bibechana-4923	30	7	%	%	NOUN
bibechana-4923	30	8	tartaric	tartaric	NOUN
bibechana-4923	30	9	acid	acid	NOUN
bibechana-4923	30	10	and	and	CCONJ
bibechana-4923	30	11	hexane	hexane	NOUN
bibechana-4923	30	12	.	.	PUNCT
bibechana-4923	31	1	the	the	DET
bibechana-4923	31	2	aqueous	aqueous	ADJ
bibechana-4923	31	3	solution	solution	NOUN
bibechana-4923	31	4	was	be	AUX
bibechana-4923	31	5	re	re	VERB
bibechana-4923	31	6	-	-	VERB
bibechana-4923	31	7	extracted	extract	VERB
bibechana-4923	31	8	with	with	ADP
bibechana-4923	31	9	hexane	hexane	NOUN
bibechana-4923	31	10	(	(	PUNCT
bibechana-4923	31	11	4	4	NUM
bibechana-4923	31	12	x	x	SYM
bibechana-4923	31	13	250	250	NUM
bibechana-4923	31	14	ml	ml	NOUN
bibechana-4923	31	15	)	)	PUNCT
bibechana-4923	31	16	,	,	PUNCT
bibechana-4923	31	17	basified	basify	VERB
bibechana-4923	31	18	with	with	ADP
bibechana-4923	31	19	solid	solid	ADJ
bibechana-4923	31	20	na2co3	na2co3	NOUN
bibechana-4923	31	21	(	(	PUNCT
bibechana-4923	31	22	ph	ph	NOUN
bibechana-4923	31	23	7.5	7.5	NUM
bibechana-4923	31	24	)	)	PUNCT
bibechana-4923	31	25	and	and	CCONJ
bibechana-4923	31	26	extracted	extract	VERB
bibechana-4923	31	27	with	with	ADP
bibechana-4923	31	28	benzene	benzene	NOUN
bibechana-4923	31	29	(	(	PUNCT
bibechana-4923	31	30	6	6	NUM
bibechana-4923	31	31	x	x	SYM
bibechana-4923	31	32	250	250	NUM
bibechana-4923	31	33	ml	ml	NOUN
bibechana-4923	31	34	)	)	PUNCT
bibechana-4923	31	35	.	.	PUNCT
bibechana-4923	32	1	the	the	DET
bibechana-4923	32	2	combined	combined	ADJ
bibechana-4923	32	3	benzene	benzene	NOUN
bibechana-4923	32	4	layer	layer	NOUN
bibechana-4923	32	5	was	be	AUX
bibechana-4923	32	6	dried	dry	VERB
bibechana-4923	32	7	over	over	ADP
bibechana-4923	32	8	anhydrous	anhydrous	ADJ
bibechana-4923	32	9	na2so4	na2so4	NOUN
bibechana-4923	32	10	and	and	CCONJ
bibechana-4923	32	11	solvent	solvent	NOUN
bibechana-4923	32	12	removed	remove	VERB
bibechana-4923	32	13	under	under	ADP
bibechana-4923	32	14	reduced	reduced	ADJ
bibechana-4923	32	15	pressure	pressure	NOUN
bibechana-4923	32	16	to	to	PART
bibechana-4923	32	17	give	give	VERB
bibechana-4923	32	18	a	a	DET
bibechana-4923	32	19	residue	residue	NOUN
bibechana-4923	32	20	i.	i.	NOUN
bibechana-4923	32	21	the	the	DET
bibechana-4923	32	22	aqueous	aqueous	ADJ
bibechana-4923	32	23	solution	solution	NOUN
bibechana-4923	32	24	left	leave	VERB
bibechana-4923	32	25	after	after	ADP
bibechana-4923	32	26	extraction	extraction	NOUN
bibechana-4923	32	27	with	with	ADP
bibechana-4923	32	28	benzene	benzene	NOUN
bibechana-4923	32	29	was	be	AUX
bibechana-4923	32	30	further	far	ADV
bibechana-4923	32	31	extracted	extract	VERB
bibechana-4923	32	32	with	with	ADP
bibechana-4923	32	33	methylene	methylene	ADJ
bibechana-4923	32	34	chloride	chloride	NOUN
bibechana-4923	32	35	(	(	PUNCT
bibechana-4923	32	36	5	5	NUM
bibechana-4923	32	37	x	x	SYM
bibechana-4923	32	38	250	250	NUM
bibechana-4923	32	39	ml	ml	NOUN
bibechana-4923	32	40	)	)	PUNCT
bibechana-4923	32	41	.	.	PUNCT
bibechana-4923	33	1	the	the	DET
bibechana-4923	33	2	combined	combined	ADJ
bibechana-4923	33	3	methylene	methylene	NOUN
bibechana-4923	33	4	chloride	chloride	NOUN
bibechana-4923	33	5	layer	layer	NOUN
bibechana-4923	33	6	was	be	AUX
bibechana-4923	33	7	dried	dry	VERB
bibechana-4923	33	8	over	over	ADP
bibechana-4923	33	9	anhydrous	anhydrous	ADJ
bibechana-4923	33	10	na2so4	na2so4	NOUN
bibechana-4923	33	11	and	and	CCONJ
bibechana-4923	33	12	solvent	solvent	NOUN
bibechana-4923	33	13	removed	remove	VERB
bibechana-4923	33	14	under	under	ADP
bibechana-4923	33	15	reduced	reduced	ADJ
bibechana-4923	33	16	pressure	pressure	NOUN
bibechana-4923	33	17	to	to	PART
bibechana-4923	33	18	give	give	VERB
bibechana-4923	33	19	a	a	DET
bibechana-4923	33	20	residue	residue	NOUN
bibechana-4923	33	21	-ii	-ii	NOUN
bibechana-4923	33	22	.	.	PUNCT
bibechana-4923	34	1	both	both	DET
bibechana-4923	34	2	the	the	DET
bibechana-4923	34	3	residues	residue	NOUN
bibechana-4923	34	4	i	i	PRON
bibechana-4923	34	5	and	and	CCONJ
bibechana-4923	34	6	ii	ii	PROPN
bibechana-4923	34	7	were	be	AUX
bibechana-4923	34	8	mixed	mix	VERB
bibechana-4923	34	9	to	to	PART
bibechana-4923	34	10	afford	afford	VERB
bibechana-4923	34	11	crude	crude	ADJ
bibechana-4923	34	12	alkaloidal	alkaloidal	ADJ
bibechana-4923	34	13	mixture	mixture	NOUN
bibechana-4923	34	14	(	(	PUNCT
bibechana-4923	34	15	4.0	4.0	NUM
bibechana-4923	34	16	g	g	NOUN
bibechana-4923	34	17	)	)	PUNCT
bibechana-4923	34	18	which	which	PRON
bibechana-4923	34	19	was	be	AUX
bibechana-4923	34	20	subjected	subject	VERB
bibechana-4923	34	21	to	to	ADP
bibechana-4923	34	22	column	column	NOUN
bibechana-4923	34	23	chromatography	chromatography	NOUN
bibechana-4923	34	24	over	over	ADP
bibechana-4923	34	25	neutral	neutral	ADJ
bibechana-4923	34	26	alumina	alumina	NOUN
bibechana-4923	34	27	.	.	PUNCT
bibechana-4923	35	1	the	the	DET
bibechana-4923	35	2	column	column	NOUN
bibechana-4923	35	3	was	be	AUX
bibechana-4923	35	4	successively	successively	ADV
bibechana-4923	35	5	eluted	elute	VERB
bibechana-4923	35	6	with	with	ADP
bibechana-4923	35	7	hexane	hexane	NOUN
bibechana-4923	35	8	,	,	PUNCT
bibechana-4923	35	9	hexane	hexane	NOUN
bibechana-4923	35	10	:	:	PUNCT
bibechana-4923	35	11	benzene	benzene	NOUN
bibechana-4923	35	12	(	(	PUNCT
bibechana-4923	35	13	20:80	20:80	NUM
bibechana-4923	35	14	)	)	PUNCT
bibechana-4923	35	15	,	,	PUNCT
bibechana-4923	35	16	benzene	benzene	NOUN
bibechana-4923	35	17	,	,	PUNCT
bibechana-4923	35	18	benzene	benzene	NOUN
bibechana-4923	35	19	ethyl	ethyl	PROPN
bibechana-4923	35	20	acetate	acetate	PROPN
bibechana-4923	35	21	,	,	PUNCT
bibechana-4923	35	22	v	v	NOUN
bibechana-4923	35	23	/	/	SYM
bibechana-4923	35	24	v	v	NOUN
bibechana-4923	35	25	(	(	PUNCT
bibechana-4923	35	26	98:2	98:2	NUM
bibechana-4923	35	27	)	)	PUNCT
bibechana-4923	35	28	,	,	PUNCT
bibechana-4923	35	29	(	(	PUNCT
bibechana-4923	35	30	95:5	95:5	NOUN
bibechana-4923	35	31	)	)	PUNCT
bibechana-4923	35	32	,	,	PUNCT
bibechana-4923	35	33	(	(	PUNCT
bibechana-4923	35	34	90:10	90:10	NUM
bibechana-4923	35	35	)	)	PUNCT
bibechana-4923	35	36	,	,	PUNCT
bibechana-4923	35	37	(	(	PUNCT
bibechana-4923	35	38	85:15	85:15	NUM
bibechana-4923	35	39	)	)	PUNCT
bibechana-4923	35	40	,	,	PUNCT
bibechana-4923	35	41	(	(	PUNCT
bibechana-4923	35	42	50:50	50:50	NUM
bibechana-4923	35	43	)	)	PUNCT
bibechana-4923	35	44	,	,	PUNCT
bibechana-4923	35	45	(	(	PUNCT
bibechana-4923	35	46	25:75	25:75	NUM
bibechana-4923	35	47	)	)	PUNCT
bibechana-4923	35	48	,	,	PUNCT
bibechana-4923	35	49	ethyl	ethyl	PROPN
bibechana-4923	35	50	acetate	acetate	PROPN
bibechana-4923	35	51	,	,	PUNCT
bibechana-4923	35	52	ethyl	ethyl	PROPN
bibechana-4923	35	53	acetate	acetate	PROPN
bibechana-4923	35	54	-	-	PUNCT
bibechana-4923	35	55	methanol	methanol	NOUN
bibechana-4923	35	56	(	(	PUNCT
bibechana-4923	35	57	95:5	95:5	NOUN
bibechana-4923	35	58	)	)	PUNCT
bibechana-4923	35	59	and	and	CCONJ
bibechana-4923	35	60	methanol	methanol	NOUN
bibechana-4923	35	61	.	.	PUNCT
bibechana-4923	36	1	elution	elution	NOUN
bibechana-4923	36	2	was	be	AUX
bibechana-4923	36	3	monitored	monitor	VERB
bibechana-4923	36	4	by	by	ADP
bibechana-4923	36	5	thin	thin	ADJ
bibechana-4923	36	6	layer	layer	NOUN
bibechana-4923	36	7	chromatography	chromatography	NOUN
bibechana-4923	36	8	(	(	PUNCT
bibechana-4923	36	9	tlc	tlc	NOUN
bibechana-4923	36	10	)	)	PUNCT
bibechana-4923	36	11	.	.	PUNCT
bibechana-4923	37	1	a	a	DET
bibechana-4923	37	2	total	total	NOUN
bibechana-4923	37	3	of	of	ADP
bibechana-4923	37	4	190	190	NUM
bibechana-4923	37	5	fractions	fraction	NOUN
bibechana-4923	37	6	,	,	PUNCT
bibechana-4923	37	7	100	100	NUM
bibechana-4923	37	8	ml	ml	ADP
bibechana-4923	37	9	each	each	PRON
bibechana-4923	37	10	,	,	PUNCT
bibechana-4923	37	11	were	be	AUX
bibechana-4923	37	12	collected	collect	VERB
bibechana-4923	37	13	and	and	CCONJ
bibechana-4923	37	14	mixed	mix	VERB
bibechana-4923	37	15	on	on	ADP
bibechana-4923	37	16	the	the	DET
bibechana-4923	37	17	basis	basis	NOUN
bibechana-4923	37	18	of	of	ADP
bibechana-4923	37	19	tlc	tlc	NOUN
bibechana-4923	37	20	.	.	PUNCT
bibechana-4923	38	1	the	the	DET
bibechana-4923	38	2	fractions	fraction	NOUN
bibechana-4923	38	3	42	42	NUM
bibechana-4923	38	4	–	–	PUNCT
bibechana-4923	38	5	75	75	NUM
bibechana-4923	38	6	eluted	elute	VERB
bibechana-4923	38	7	from	from	ADP
bibechana-4923	38	8	benzene	benzene	NOUN
bibechana-4923	38	9	-	-	PUNCT
bibechana-4923	38	10	ethyl	ethyl	NOUN
bibechana-4923	38	11	acetate	acetate	NOUN
bibechana-4923	38	12	(	(	PUNCT
bibechana-4923	38	13	98:2	98:2	NUM
bibechana-4923	38	14	)	)	PUNCT
bibechana-4923	38	15	,	,	PUNCT
bibechana-4923	38	16	(	(	PUNCT
bibechana-4923	38	17	95:5	95:5	X
bibechana-4923	38	18	)	)	PUNCT
bibechana-4923	38	19	and	and	CCONJ
bibechana-4923	38	20	(	(	PUNCT
bibechana-4923	38	21	90:10	90:10	NUM
bibechana-4923	38	22	)	)	PUNCT
bibechana-4923	38	23	were	be	AUX
bibechana-4923	38	24	mixed	mixed	ADJ
bibechana-4923	38	25	and	and	CCONJ
bibechana-4923	38	26	solvent	solvent	NOUN
bibechana-4923	38	27	removed	remove	VERB
bibechana-4923	38	28	.	.	PUNCT
bibechana-4923	39	1	the	the	DET
bibechana-4923	39	2	crude	crude	ADJ
bibechana-4923	39	3	product	product	NOUN
bibechana-4923	39	4	was	be	AUX
bibechana-4923	39	5	subjected	subject	VERB
bibechana-4923	39	6	to	to	PART
bibechana-4923	39	7	preparative	preparative	VERB
bibechana-4923	39	8	tlc	tlc	NOUN
bibechana-4923	39	9	(	(	PUNCT
bibechana-4923	39	10	plates	plate	NOUN
bibechana-4923	39	11	:	:	PUNCT
bibechana-4923	39	12	sio2	sio2	PROPN
bibechana-4923	39	13	gf254	gf254	PROPN
bibechana-4923	39	14	;	;	PUNCT
bibechana-4923	39	15	solvent	solvent	NOUN
bibechana-4923	39	16	:	:	PUNCT
bibechana-4923	39	17	chloroform	chloroform	NOUN
bibechana-4923	39	18	–	–	PUNCT
bibechana-4923	39	19	methanol	methanol	NOUN
bibechana-4923	39	20	,	,	PUNCT
bibechana-4923	39	21	95:5	95:5	NUM
bibechana-4923	39	22	;	;	PUNCT
bibechana-4923	39	23	double	double	ADJ
bibechana-4923	39	24	run	run	NOUN
bibechana-4923	39	25	)	)	PUNCT
bibechana-4923	39	26	.	.	PUNCT
bibechana-4923	40	1	the	the	DET
bibechana-4923	40	2	major	major	ADJ
bibechana-4923	40	3	band	band	NOUN
bibechana-4923	40	4	on	on	ADP
bibechana-4923	40	5	the	the	DET
bibechana-4923	40	6	plates	plate	NOUN
bibechana-4923	40	7	was	be	AUX
bibechana-4923	40	8	scraped	scrape	VERB
bibechana-4923	40	9	,	,	PUNCT
bibechana-4923	40	10	extracted	extract	VERB
bibechana-4923	40	11	with	with	ADP
bibechana-4923	40	12	chloroform	chloroform	NOUN
bibechana-4923	40	13	–	–	PUNCT
bibechana-4923	40	14	methanol	methanol	NOUN
bibechana-4923	40	15	(	(	PUNCT
bibechana-4923	40	16	3:1	3:1	NUM
bibechana-4923	40	17	)	)	PUNCT
bibechana-4923	40	18	,	,	PUNCT
bibechana-4923	40	19	the	the	DET
bibechana-4923	40	20	solvent	solvent	NOUN
bibechana-4923	40	21	removed	remove	VERB
bibechana-4923	40	22	under	under	ADP
bibechana-4923	40	23	reduced	reduced	ADJ
bibechana-4923	40	24	pressure	pressure	NOUN
bibechana-4923	40	25	to	to	PART
bibechana-4923	40	26	give	give	VERB
bibechana-4923	40	27	a	a	DET
bibechana-4923	40	28	pure	pure	ADJ
bibechana-4923	40	29	compound	compound	NOUN
bibechana-4923	40	30	(	(	PUNCT
bibechana-4923	40	31	8.4	8.4	NUM
bibechana-4923	40	32	mg	mg	NOUN
bibechana-4923	40	33	)	)	PUNCT
bibechana-4923	40	34	,	,	PUNCT
bibechana-4923	40	35	converted	convert	VERB
bibechana-4923	40	36	to	to	ADP
bibechana-4923	40	37	its	its	PRON
bibechana-4923	40	38	hydrochloride	hydrochloride	NOUN
bibechana-4923	40	39	,	,	PUNCT
bibechana-4923	40	40	crystallized	crystallize	VERB
bibechana-4923	40	41	from	from	ADP
bibechana-4923	40	42	methanol	methanol	NOUN
bibechana-4923	40	43	ether	ether	NOUN
bibechana-4923	40	44	,	,	PUNCT
bibechana-4923	40	45	m.p	m.p	PROPN
bibechana-4923	40	46	.	.	PROPN
bibechana-4923	40	47	299.50	299.50	NUM
bibechana-4923	41	1	[	[	X
bibechana-4923	41	2	3010][11,12	3010][11,12	NUM
bibechana-4923	41	3	]	]	PUNCT
bibechana-4923	41	4	.	.	PUNCT
bibechana-4923	42	1	the	the	DET
bibechana-4923	42	2	compound	compound	NOUN
bibechana-4923	42	3	was	be	AUX
bibechana-4923	42	4	identified	identify	VERB
bibechana-4923	42	5	as	as	ADP
bibechana-4923	42	6	yohimbine	yohimbine	NOUN
bibechana-4923	42	7	by	by	ADP
bibechana-4923	42	8	a	a	DET
bibechana-4923	42	9	direct	direct	ADJ
bibechana-4923	42	10	comparison	comparison	NOUN
bibechana-4923	42	11	with	with	ADP
bibechana-4923	42	12	an	an	DET
bibechana-4923	42	13	authentic	authentic	ADJ
bibechana-4923	42	14	sample	sample	NOUN
bibechana-4923	42	15	procured	procure	VERB
bibechana-4923	42	16	from	from	ADP
bibechana-4923	42	17	sigma	sigma	PROPN
bibechana-4923	42	18	chemical	chemical	PROPN
bibechana-4923	42	19	company	company	NOUN
bibechana-4923	42	20	,	,	PUNCT
bibechana-4923	42	21	usa	usa	PROPN
bibechana-4923	42	22	.	.	PROPN
bibechana-4923	43	1	an	an	DET
bibechana-4923	43	2	excitation	excitation	NOUN
bibechana-4923	43	3	laser	laser	NOUN
bibechana-4923	43	4	of	of	ADP
bibechana-4923	43	5	wavelength	wavelength	NOUN
bibechana-4923	43	6	514	514	NUM
bibechana-4923	43	7	nm	nm	NOUN
bibechana-4923	43	8	was	be	AUX
bibechana-4923	43	9	emitted	emit	VERB
bibechana-4923	43	10	from	from	ADP
bibechana-4923	43	11	an	an	DET
bibechana-4923	43	12	argon	argon	NOUN
bibechana-4923	43	13	ion	ion	NOUN
bibechana-4923	43	14	laser	laser	NOUN
bibechana-4923	43	15	source	source	NOUN
bibechana-4923	43	16	and	and	CCONJ
bibechana-4923	43	17	a	a	DET
bibechana-4923	43	18	power	power	NOUN
bibechana-4923	43	19	of	of	ADP
bibechana-4923	43	20	12	12	NUM
bibechana-4923	43	21	mw	mw	NOUN
bibechana-4923	43	22	was	be	AUX
bibechana-4923	43	23	used	use	VERB
bibechana-4923	43	24	to	to	PART
bibechana-4923	43	25	record	record	VERB
bibechana-4923	43	26	the	the	DET
bibechana-4923	43	27	vibrational	vibrational	ADJ
bibechana-4923	43	28	spectra	spectra	NOUN
bibechana-4923	43	29	using	use	VERB
bibechana-4923	43	30	an	an	DET
bibechana-4923	43	31	efficient	efficient	ADJ
bibechana-4923	43	32	visible	visible	ADJ
bibechana-4923	43	33	micro	micro	NOUN
bibechana-4923	43	34	raman	raman	NOUN
bibechana-4923	43	35	setup	setup	NOUN
bibechana-4923	43	36	at	at	ADP
bibechana-4923	43	37	room	room	NOUN
bibechana-4923	43	38	temperature	temperature	NOUN
bibechana-4923	43	39	.	.	PUNCT
bibechana-4923	44	1	the	the	DET
bibechana-4923	44	2	scattered	scatter	VERB
bibechana-4923	44	3	raman	raman	NOUN
bibechana-4923	44	4	light	light	NOUN
bibechana-4923	44	5	was	be	AUX
bibechana-4923	44	6	collected	collect	VERB
bibechana-4923	44	7	in	in	ADP
bibechana-4923	44	8	a	a	DET
bibechana-4923	44	9	back	back	ADJ
bibechana-4923	44	10	scattering	scatter	VERB
bibechana-4923	44	11	geometry	geometry	NOUN
bibechana-4923	44	12	using	use	VERB
bibechana-4923	44	13	a	a	DET
bibechana-4923	44	14	microscope	microscope	NOUN
bibechana-4923	44	15	objective	objective	NOUN
bibechana-4923	44	16	(	(	PUNCT
bibechana-4923	44	17	ulw	ulw	NOUN
bibechana-4923	44	18	x50	x50	NUM
bibechana-4923	44	19	)	)	PUNCT
bibechana-4923	44	20	.	.	PUNCT
bibechana-4923	45	1	the	the	DET
bibechana-4923	45	2	scattered	scatter	VERB
bibechana-4923	45	3	light	light	NOUN
bibechana-4923	45	4	was	be	AUX
bibechana-4923	45	5	dispersed	disperse	VERB
bibechana-4923	45	6	using	use	VERB
bibechana-4923	45	7	a	a	DET
bibechana-4923	45	8	monochromator	monochromator	NOUN
bibechana-4923	45	9	with	with	ADP
bibechana-4923	45	10	1200	1200	NUM
bibechana-4923	45	11	grooves	groove	NOUN
bibechana-4923	45	12	/	/	SYM
bibechana-4923	45	13	mm	mm	NOUN
bibechana-4923	45	14	diffraction	diffraction	NOUN
bibechana-4923	45	15	grating	grating	NOUN
bibechana-4923	45	16	,	,	PUNCT
bibechana-4923	45	17	and	and	CCONJ
bibechana-4923	45	18	an	an	DET
bibechana-4923	45	19	entrance	entrance	NOUN
bibechana-4923	45	20	slit	slit	NOUN
bibechana-4923	45	21	width	width	NOUN
bibechana-4923	45	22	of	of	ADP
bibechana-4923	45	23	200	200	NUM
bibechana-4923	45	24	micrometer	micrometer	NOUN
bibechana-4923	45	25	.	.	PUNCT
bibechana-4923	46	1	the	the	DET
bibechana-4923	46	2	raman	raman	NOUN
bibechana-4923	46	3	signals	signal	NOUN
bibechana-4923	46	4	were	be	AUX
bibechana-4923	46	5	detected	detect	VERB
bibechana-4923	46	6	using	use	VERB
bibechana-4923	46	7	liquid	liquid	ADJ
bibechana-4923	46	8	nitrogen	nitrogen	NOUN
bibechana-4923	46	9	cooled	cool	VERB
bibechana-4923	46	10	charged	charge	VERB
bibechana-4923	46	11	coupled	couple	VERB
bibechana-4923	46	12	device	device	NOUN
bibechana-4923	46	13	(	(	PUNCT
bibechana-4923	46	14	ccd	ccd	NOUN
bibechana-4923	46	15	)	)	PUNCT
bibechana-4923	46	16	with	with	ADP
bibechana-4923	46	17	an	an	DET
bibechana-4923	46	18	optimal	optimal	ADJ
bibechana-4923	46	19	sensitivity	sensitivity	NOUN
bibechana-4923	46	20	in	in	ADP
bibechana-4923	46	21	the	the	DET
bibechana-4923	46	22	visible	visible	ADJ
bibechana-4923	46	23	range	range	NOUN
bibechana-4923	46	24	.	.	PUNCT
bibechana-4923	47	1	the	the	DET
bibechana-4923	47	2	total	total	ADJ
bibechana-4923	47	3	exposure	exposure	NOUN
bibechana-4923	47	4	time	time	NOUN
bibechana-4923	47	5	for	for	ADP
bibechana-4923	47	6	each	each	DET
bibechana-4923	47	7	sample	sample	NOUN
bibechana-4923	47	8	was	be	AUX
bibechana-4923	47	9	5	5	NUM
bibechana-4923	47	10	sec	sec	PROPN
bibechana-4923	47	11	and	and	CCONJ
bibechana-4923	47	12	averaged	average	VERB
bibechana-4923	47	13	over	over	ADP
bibechana-4923	47	14	five	five	NUM
bibechana-4923	47	15	accumulations	accumulation	NOUN
bibechana-4923	47	16	.	.	PUNCT
bibechana-4923	48	1	infrared	infrared	ADJ
bibechana-4923	48	2	spectra	spectra	NOUN
bibechana-4923	48	3	of	of	ADP
bibechana-4923	48	4	yhcl	yhcl	PROPN
bibechana-4923	48	5	were	be	AUX
bibechana-4923	48	6	recorded	record	VERB
bibechana-4923	48	7	on	on	ADP
bibechana-4923	48	8	a	a	DET
bibechana-4923	48	9	bruker	bruker	ADJ
bibechana-4923	48	10	tensor	tensor	NOUN
bibechana-4923	48	11	27	27	NUM
bibechana-4923	48	12	ft	ft	PROPN
bibechana-4923	48	13	-	-	PUNCT
bibechana-4923	48	14	ir	ir	NOUN
bibechana-4923	48	15	spectrometer	spectrometer	NOUN
bibechana-4923	48	16	with	with	ADP
bibechana-4923	48	17	a	a	DET
bibechana-4923	48	18	spectral	spectral	ADJ
bibechana-4923	48	19	resolution	resolution	NOUN
bibechana-4923	48	20	of	of	ADP
bibechana-4923	48	21	4	4	NUM
bibechana-4923	48	22	cm-1	cm-1	NOUN
bibechana-4923	48	23	in	in	ADP
bibechana-4923	48	24	the	the	DET
bibechana-4923	48	25	region	region	NOUN
bibechana-4923	48	26	300	300	NUM
bibechana-4923	48	27	-	-	SYM
bibechana-4923	48	28	4000	4000	NUM
bibechana-4923	48	29	cm-1	cm-1	NOUN
bibechana-4923	48	30	.	.	PUNCT
bibechana-4923	49	1	the	the	DET
bibechana-4923	49	2	kbr	kbr	PROPN
bibechana-4923	49	3	pellets	pellet	NOUN
bibechana-4923	49	4	of	of	ADP
bibechana-4923	49	5	solid	solid	ADJ
bibechana-4923	49	6	samples	sample	NOUN
bibechana-4923	49	7	were	be	AUX
bibechana-4923	49	8	prepared	prepare	VERB
bibechana-4923	49	9	from	from	ADP
bibechana-4923	49	10	mixtures	mixture	NOUN
bibechana-4923	49	11	of	of	ADP
bibechana-4923	49	12	kbr	kbr	PROPN
bibechana-4923	49	13	and	and	CCONJ
bibechana-4923	49	14	the	the	DET
bibechana-4923	49	15	sample	sample	NOUN
bibechana-4923	49	16	in	in	ADP
bibechana-4923	49	17	200:1	200:1	NUM
bibechana-4923	49	18	ratio	ratio	NOUN
bibechana-4923	49	19	using	use	VERB
bibechana-4923	49	20	a	a	DET
bibechana-4923	49	21	hydraulic	hydraulic	ADJ
bibechana-4923	49	22	press	press	NOUN
bibechana-4923	49	23	.	.	PUNCT
bibechana-4923	50	1	multi	multi	ADJ
bibechana-4923	50	2	-	-	ADJ
bibechana-4923	50	3	tasking	tasking	ADJ
bibechana-4923	50	4	opus	opus	NOUN
bibechana-4923	50	5	software	software	NOUN
bibechana-4923	50	6	was	be	AUX
bibechana-4923	50	7	used	use	VERB
bibechana-4923	50	8	for	for	ADP
bibechana-4923	50	9	base	base	NOUN
bibechana-4923	50	10	line	line	NOUN
bibechana-4923	50	11	corrections	correction	NOUN
bibechana-4923	50	12	.	.	PUNCT
bibechana-4923	51	1	2.2	2.2	NUM
bibechana-4923	51	2	computational	computational	ADJ
bibechana-4923	51	3	methods	method	NOUN
bibechana-4923	51	4	geometry	geometry	NOUN
bibechana-4923	51	5	optimization	optimization	NOUN
bibechana-4923	51	6	was	be	AUX
bibechana-4923	51	7	performed	perform	VERB
bibechana-4923	51	8	as	as	ADP
bibechana-4923	51	9	the	the	DET
bibechana-4923	51	10	first	first	ADJ
bibechana-4923	51	11	task	task	NOUN
bibechana-4923	51	12	of	of	ADP
bibechana-4923	51	13	computational	computational	ADJ
bibechana-4923	51	14	work	work	NOUN
bibechana-4923	51	15	for	for	ADP
bibechana-4923	51	16	the	the	DET
bibechana-4923	51	17	yhcl	yhcl	PROPN
bibechana-4923	51	18	molecule	molecule	NOUN
bibechana-4923	51	19	.	.	PUNCT
bibechana-4923	52	1	the	the	DET
bibechana-4923	52	2	experimental	experimental	ADJ
bibechana-4923	52	3	geometric	geometric	ADJ
bibechana-4923	52	4	parameters	parameter	NOUN
bibechana-4923	52	5	from	from	ADP
bibechana-4923	52	6	x	x	ADJ
bibechana-4923	52	7	-	-	NOUN
bibechana-4923	52	8	ray	ray	NOUN
bibechana-4923	52	9	diffraction	diffraction	NOUN
bibechana-4923	52	10	data	datum	NOUN
bibechana-4923	52	11	[	[	X
bibechana-4923	52	12	2	2	NUM
bibechana-4923	52	13	]	]	PUNCT
bibechana-4923	52	14	of	of	ADP
bibechana-4923	52	15	yhcl	yhcl	PROPN
bibechana-4923	52	16	molecule	molecule	NOUN
bibechana-4923	52	17	were	be	AUX
bibechana-4923	52	18	used	use	VERB
bibechana-4923	52	19	as	as	ADP
bibechana-4923	52	20	the	the	DET
bibechana-4923	52	21	initial	initial	ADJ
bibechana-4923	52	22	parameters	parameter	NOUN
bibechana-4923	52	23	for	for	ADP
bibechana-4923	52	24	the	the	DET
bibechana-4923	52	25	theoretical	theoretical	ADJ
bibechana-4923	52	26	calculations	calculation	NOUN
bibechana-4923	52	27	.	.	PUNCT
bibechana-4923	53	1	the	the	DET
bibechana-4923	53	2	electronic	electronic	ADJ
bibechana-4923	53	3	structure	structure	NOUN
bibechana-4923	53	4	and	and	CCONJ
bibechana-4923	53	5	optimized	optimize	VERB
bibechana-4923	53	6	geometry	geometry	NOUN
bibechana-4923	53	7	of	of	ADP
bibechana-4923	53	8	the	the	DET
bibechana-4923	53	9	molecule	molecule	NOUN
bibechana-4923	53	10	were	be	AUX
bibechana-4923	53	11	computed	compute	VERB
bibechana-4923	53	12	by	by	ADP
bibechana-4923	53	13	ab	ab	PROPN
bibechana-4923	53	14	initio	initio	PROPN
bibechana-4923	53	15	hartree	hartree	ADV
bibechana-4923	53	16	-	-	PUNCT
bibechana-4923	53	17	fock	fock	ADJ
bibechana-4923	53	18	(	(	PUNCT
bibechana-4923	53	19	hf	hf	NOUN
bibechana-4923	53	20	)	)	PUNCT
bibechana-4923	53	21	and	and	CCONJ
bibechana-4923	53	22	dft	dft	PROPN
bibechana-4923	53	23	(	(	PUNCT
bibechana-4923	53	24	density	density	NOUN
bibechana-4923	53	25	functional	functional	ADJ
bibechana-4923	53	26	bhawani	bhawani	NOUN
bibechana-4923	53	27	datt	datt	PROPN
bibechana-4923	53	28	joshi	joshi	PROPN
bibechana-4923	53	29	et	et	PROPN
bibechana-4923	54	1	al./	al./	ADV
bibechana-4923	54	2	bibechana	bibechana	PROPN
bibechana-4923	54	3	8	8	NUM
bibechana-4923	54	4	(	(	PUNCT
bibechana-4923	54	5	2012	2012	NUM
bibechana-4923	54	6	)	)	PUNCT
bibechana-4923	54	7	73	73	NUM
bibechana-4923	54	8	-	-	SYM
bibechana-4923	54	9	80	80	NUM
bibechana-4923	54	10	:	:	PUNCT
bibechana-4923	54	11	bmhss	bmhss	PROPN
bibechana-4923	54	12	,	,	PUNCT
bibechana-4923	54	13	p.76	p.76	PROPN
bibechana-4923	54	14	theory	theory	NOUN
bibechana-4923	54	15	)	)	PUNCT
bibechana-4923	54	16	using	use	VERB
bibechana-4923	54	17	gaussian	gaussian	NOUN
bibechana-4923	54	18	09	09	NUM
bibechana-4923	54	19	[	[	SYM
bibechana-4923	54	20	13	13	NUM
bibechana-4923	54	21	]	]	PUNCT
bibechana-4923	54	22	program	program	NOUN
bibechana-4923	54	23	package	package	NOUN
bibechana-4923	54	24	employing	employ	VERB
bibechana-4923	54	25	6	6	NUM
bibechana-4923	54	26	-	-	PUNCT
bibechana-4923	54	27	311++g(d	311++g(d	NUM
bibechana-4923	54	28	,	,	PUNCT
bibechana-4923	54	29	p	p	NOUN
bibechana-4923	54	30	)	)	PUNCT
bibechana-4923	54	31	basis	basis	NOUN
bibechana-4923	54	32	set	set	NOUN
bibechana-4923	54	33	based	base	VERB
bibechana-4923	54	34	on	on	ADP
bibechana-4923	54	35	becke	becke	NOUN
bibechana-4923	54	36	’s	’s	PART
bibechana-4923	54	37	three	three	NUM
bibechana-4923	54	38	-	-	PUNCT
bibechana-4923	54	39	parameter	parameter	NOUN
bibechana-4923	54	40	(	(	PUNCT
bibechana-4923	54	41	local	local	ADJ
bibechana-4923	54	42	,	,	PUNCT
bibechana-4923	54	43	non	non	ADJ
bibechana-4923	54	44	-	-	ADJ
bibechana-4923	54	45	local	local	ADJ
bibechana-4923	54	46	,	,	PUNCT
bibechana-4923	54	47	hartree	hartree	ADJ
bibechana-4923	54	48	-	-	PUNCT
bibechana-4923	54	49	fock	fock	ADJ
bibechana-4923	54	50	)	)	PUNCT
bibechana-4923	54	51	hybrid	hybrid	ADJ
bibechana-4923	54	52	exchange	exchange	NOUN
bibechana-4923	54	53	functional	functional	ADJ
bibechana-4923	54	54	with	with	ADP
bibechana-4923	54	55	lee	lee	PROPN
bibechana-4923	54	56	-	-	PUNCT
bibechana-4923	54	57	yangparr	yangparr	NOUN
bibechana-4923	54	58	correlation	correlation	NOUN
bibechana-4923	54	59	functional	functional	ADJ
bibechana-4923	54	60	(	(	PUNCT
bibechana-4923	54	61	b3lyp	b3lyp	X
bibechana-4923	54	62	)	)	PUNCT
bibechana-4923	55	1	[	[	X
bibechana-4923	55	2	14].the	14].the	NUM
bibechana-4923	55	3	basis	basis	NOUN
bibechana-4923	55	4	set	set	VERB
bibechana-4923	55	5	6	6	NUM
bibechana-4923	55	6	-	-	PUNCT
bibechana-4923	55	7	311++g(d	311++g(d	NUM
bibechana-4923	55	8	,	,	PUNCT
bibechana-4923	55	9	p	p	NOUN
bibechana-4923	55	10	)	)	PUNCT
bibechana-4923	55	11	augmented	augment	VERB
bibechana-4923	55	12	by	by	ADP
bibechana-4923	55	13	d	d	PROPN
bibechana-4923	55	14	polarization	polarization	NOUN
bibechana-4923	55	15	functions	function	NOUN
bibechana-4923	55	16	on	on	ADP
bibechana-4923	55	17	heavy	heavy	ADJ
bibechana-4923	55	18	atoms	atom	NOUN
bibechana-4923	55	19	and	and	CCONJ
bibechana-4923	55	20	p	p	NOUN
bibechana-4923	55	21	polarization	polarization	NOUN
bibechana-4923	55	22	functions	function	NOUN
bibechana-4923	55	23	on	on	ADP
bibechana-4923	55	24	hydrogen	hydrogen	NOUN
bibechana-4923	55	25	atoms	atom	NOUN
bibechana-4923	55	26	as	as	ADV
bibechana-4923	55	27	well	well	ADV
bibechana-4923	55	28	as	as	ADP
bibechana-4923	55	29	diffuse	diffuse	ADJ
bibechana-4923	55	30	functions	function	NOUN
bibechana-4923	55	31	for	for	ADP
bibechana-4923	55	32	both	both	DET
bibechana-4923	55	33	hydrogen	hydrogen	NOUN
bibechana-4923	55	34	and	and	CCONJ
bibechana-4923	55	35	heavy	heavy	ADJ
bibechana-4923	55	36	atoms	atom	NOUN
bibechana-4923	55	37	were	be	AUX
bibechana-4923	55	38	used	use	VERB
bibechana-4923	55	39	.	.	PUNCT
bibechana-4923	56	1	the	the	DET
bibechana-4923	56	2	optimized	optimize	VERB
bibechana-4923	56	3	structural	structural	ADJ
bibechana-4923	56	4	parameters	parameter	NOUN
bibechana-4923	56	5	were	be	AUX
bibechana-4923	56	6	used	use	VERB
bibechana-4923	56	7	to	to	PART
bibechana-4923	56	8	calculate	calculate	VERB
bibechana-4923	56	9	the	the	DET
bibechana-4923	56	10	absolute	absolute	ADJ
bibechana-4923	56	11	raman	raman	NOUN
bibechana-4923	56	12	intensities	intensity	NOUN
bibechana-4923	56	13	and	and	CCONJ
bibechana-4923	56	14	infrared	infrared	ADJ
bibechana-4923	56	15	absorption	absorption	NOUN
bibechana-4923	56	16	intensities	intensity	NOUN
bibechana-4923	56	17	in	in	ADP
bibechana-4923	56	18	the	the	DET
bibechana-4923	56	19	harmonic	harmonic	ADJ
bibechana-4923	56	20	approximation	approximation	NOUN
bibechana-4923	56	21	at	at	ADP
bibechana-4923	56	22	the	the	DET
bibechana-4923	56	23	hf	hf	NOUN
bibechana-4923	56	24	and	and	CCONJ
bibechana-4923	56	25	dft	dft	PROPN
bibechana-4923	56	26	levels	level	NOUN
bibechana-4923	56	27	.	.	PUNCT
bibechana-4923	57	1	the	the	DET
bibechana-4923	57	2	positive	positive	ADJ
bibechana-4923	57	3	values	value	NOUN
bibechana-4923	57	4	of	of	ADP
bibechana-4923	57	5	all	all	DET
bibechana-4923	57	6	the	the	DET
bibechana-4923	57	7	obtained	obtain	VERB
bibechana-4923	57	8	156	156	NUM
bibechana-4923	57	9	wavenumbers	wavenumber	NOUN
bibechana-4923	57	10	confirm	confirm	VERB
bibechana-4923	57	11	the	the	DET
bibechana-4923	57	12	stability	stability	NOUN
bibechana-4923	57	13	of	of	ADP
bibechana-4923	57	14	optimized	optimize	VERB
bibechana-4923	57	15	geometry	geometry	NOUN
bibechana-4923	57	16	.	.	PUNCT
bibechana-4923	58	1	for	for	ADP
bibechana-4923	58	2	analyzing	analyze	VERB
bibechana-4923	58	3	the	the	DET
bibechana-4923	58	4	normal	normal	ADJ
bibechana-4923	58	5	a	a	DET
bibechana-4923	58	6	complete	complete	ADJ
bibechana-4923	58	7	set	set	NOUN
bibechana-4923	58	8	of	of	ADP
bibechana-4923	58	9	156	156	NUM
bibechana-4923	58	10	internal	internal	ADJ
bibechana-4923	58	11	co	co	NOUN
bibechana-4923	58	12	-	-	NOUN
bibechana-4923	58	13	ordinates	ordinate	NOUN
bibechana-4923	58	14	was	be	AUX
bibechana-4923	58	15	defined	define	VERB
bibechana-4923	58	16	using	use	VERB
bibechana-4923	58	17	pulay	pulay	NOUN
bibechana-4923	58	18	’s	’s	PART
bibechana-4923	58	19	recommendations	recommendation	NOUN
bibechana-4923	58	20	[	[	X
bibechana-4923	58	21	15	15	NUM
bibechana-4923	58	22	]	]	PUNCT
bibechana-4923	58	23	.	.	PUNCT
bibechana-4923	59	1	the	the	DET
bibechana-4923	59	2	vibrational	vibrational	ADJ
bibechana-4923	59	3	assignments	assignment	NOUN
bibechana-4923	59	4	of	of	ADP
bibechana-4923	59	5	the	the	DET
bibechana-4923	59	6	normal	normal	ADJ
bibechana-4923	59	7	modes	mode	NOUN
bibechana-4923	59	8	were	be	AUX
bibechana-4923	59	9	proposed	propose	VERB
bibechana-4923	59	10	on	on	ADP
bibechana-4923	59	11	the	the	DET
bibechana-4923	59	12	basis	basis	NOUN
bibechana-4923	59	13	of	of	ADP
bibechana-4923	59	14	the	the	DET
bibechana-4923	59	15	ped	ped	NOUN
bibechana-4923	59	16	calculated	calculate	VERB
bibechana-4923	59	17	using	use	VERB
bibechana-4923	59	18	the	the	DET
bibechana-4923	59	19	program	program	NOUN
bibechana-4923	59	20	gar2ped	gar2pe	VERB
bibechana-4923	60	1	[	[	X
bibechana-4923	60	2	16	16	NUM
bibechana-4923	60	3	]	]	PUNCT
bibechana-4923	60	4	.	.	PUNCT
bibechana-4923	61	1	raman	raman	NOUN
bibechana-4923	61	2	and	and	CCONJ
bibechana-4923	61	3	infrared	infrared	ADJ
bibechana-4923	61	4	spectra	spectra	PROPN
bibechana-4923	61	5	were	be	AUX
bibechana-4923	61	6	simulated	simulate	VERB
bibechana-4923	61	7	using	use	VERB
bibechana-4923	61	8	a	a	DET
bibechana-4923	61	9	pure	pure	ADJ
bibechana-4923	61	10	lorentzian	lorentzian	ADJ
bibechana-4923	61	11	band	band	NOUN
bibechana-4923	61	12	profile	profile	NOUN
bibechana-4923	61	13	(	(	PUNCT
bibechana-4923	61	14	fwhm	fwhm	NOUN
bibechana-4923	61	15	=	=	NOUN
bibechana-4923	61	16	8	8	NUM
bibechana-4923	61	17	cm-1	cm-1	NOUN
bibechana-4923	61	18	)	)	PUNCT
bibechana-4923	61	19	using	use	VERB
bibechana-4923	61	20	indigenously	indigenously	ADV
bibechana-4923	61	21	developed	develop	VERB
bibechana-4923	61	22	software	software	NOUN
bibechana-4923	61	23	.	.	PUNCT
bibechana-4923	62	1	visualization	visualization	NOUN
bibechana-4923	62	2	and	and	CCONJ
bibechana-4923	62	3	confirmation	confirmation	NOUN
bibechana-4923	62	4	of	of	ADP
bibechana-4923	62	5	the	the	DET
bibechana-4923	62	6	calculated	calculate	VERB
bibechana-4923	62	7	forms	form	NOUN
bibechana-4923	62	8	of	of	ADP
bibechana-4923	62	9	the	the	DET
bibechana-4923	62	10	vibrations	vibration	NOUN
bibechana-4923	62	11	were	be	AUX
bibechana-4923	62	12	done	do	VERB
bibechana-4923	62	13	using	use	VERB
bibechana-4923	62	14	the	the	DET
bibechana-4923	62	15	chemcraft	chemcraft	NOUN
bibechana-4923	62	16	program	program	NOUN
bibechana-4923	62	17	[	[	X
bibechana-4923	62	18	17	17	NUM
bibechana-4923	62	19	]	]	PUNCT
bibechana-4923	62	20	.	.	PUNCT
bibechana-4923	63	1	3	3	X
bibechana-4923	63	2	.	.	X
bibechana-4923	63	3	geometry	geometry	NOUN
bibechana-4923	63	4	optimization	optimization	NOUN
bibechana-4923	63	5	and	and	CCONJ
bibechana-4923	63	6	energies	energy	NOUN
bibechana-4923	63	7	initial	initial	ADJ
bibechana-4923	63	8	geometry	geometry	NOUN
bibechana-4923	63	9	taken	take	VERB
bibechana-4923	63	10	from	from	ADP
bibechana-4923	63	11	the	the	DET
bibechana-4923	63	12	x	x	NOUN
bibechana-4923	63	13	-	-	NOUN
bibechana-4923	63	14	ray	ray	NOUN
bibechana-4923	63	15	diffraction	diffraction	NOUN
bibechana-4923	63	16	data	datum	NOUN
bibechana-4923	63	17	[	[	X
bibechana-4923	63	18	2	2	NUM
bibechana-4923	63	19	]	]	PUNCT
bibechana-4923	63	20	of	of	ADP
bibechana-4923	63	21	yhcl	yhcl	PROPN
bibechana-4923	63	22	was	be	AUX
bibechana-4923	63	23	minimized	minimize	VERB
bibechana-4923	63	24	without	without	ADP
bibechana-4923	63	25	any	any	DET
bibechana-4923	63	26	constraint	constraint	NOUN
bibechana-4923	63	27	to	to	ADP
bibechana-4923	63	28	the	the	DET
bibechana-4923	63	29	potential	potential	ADJ
bibechana-4923	63	30	energy	energy	NOUN
bibechana-4923	63	31	surface	surface	NOUN
bibechana-4923	63	32	and	and	CCONJ
bibechana-4923	63	33	the	the	DET
bibechana-4923	63	34	optimized	optimize	VERB
bibechana-4923	63	35	structural	structural	ADJ
bibechana-4923	63	36	parameters	parameter	NOUN
bibechana-4923	63	37	were	be	AUX
bibechana-4923	63	38	used	use	VERB
bibechana-4923	63	39	in	in	ADP
bibechana-4923	63	40	the	the	DET
bibechana-4923	63	41	vibrational	vibrational	ADJ
bibechana-4923	63	42	frequency	frequency	NOUN
bibechana-4923	63	43	calculation	calculation	NOUN
bibechana-4923	63	44	to	to	PART
bibechana-4923	63	45	characterize	characterize	VERB
bibechana-4923	63	46	all	all	DET
bibechana-4923	63	47	stationary	stationary	ADJ
bibechana-4923	63	48	points	point	NOUN
bibechana-4923	63	49	as	as	ADP
bibechana-4923	63	50	minima	minima	PROPN
bibechana-4923	63	51	.	.	PUNCT
bibechana-4923	64	1	the	the	DET
bibechana-4923	64	2	equilibrium	equilibrium	NOUN
bibechana-4923	64	3	geometry	geometry	NOUN
bibechana-4923	64	4	has	have	AUX
bibechana-4923	64	5	been	be	AUX
bibechana-4923	64	6	determined	determine	VERB
bibechana-4923	64	7	by	by	ADP
bibechana-4923	64	8	the	the	DET
bibechana-4923	64	9	energy	energy	NOUN
bibechana-4923	64	10	minimization	minimization	NOUN
bibechana-4923	64	11	.	.	PUNCT
bibechana-4923	65	1	the	the	DET
bibechana-4923	65	2	optimized	optimize	VERB
bibechana-4923	65	3	structure	structure	NOUN
bibechana-4923	65	4	of	of	ADP
bibechana-4923	65	5	yhcl	yhcl	PROPN
bibechana-4923	65	6	molecule	molecule	NOUN
bibechana-4923	65	7	is	be	AUX
bibechana-4923	65	8	shown	show	VERB
bibechana-4923	65	9	in	in	ADP
bibechana-4923	65	10	figure	figure	NOUN
bibechana-4923	65	11	2	2	NUM
bibechana-4923	65	12	.	.	PUNCT
bibechana-4923	66	1	the	the	DET
bibechana-4923	66	2	relative	relative	ADJ
bibechana-4923	66	3	energies	energy	NOUN
bibechana-4923	66	4	of	of	ADP
bibechana-4923	66	5	the	the	DET
bibechana-4923	66	6	molecule	molecule	NOUN
bibechana-4923	66	7	are	be	AUX
bibechana-4923	66	8	calculated	calculate	VERB
bibechana-4923	66	9	employing	employ	VERB
bibechana-4923	66	10	ab	ab	PROPN
bibechana-4923	66	11	initio	initio	PROPN
bibechana-4923	66	12	hf	hf	PROPN
bibechana-4923	66	13	and	and	CCONJ
bibechana-4923	66	14	dft	dft	PROPN
bibechana-4923	66	15	functional	functional	ADJ
bibechana-4923	66	16	(	(	PUNCT
bibechana-4923	66	17	b3lyp	b3lyp	NUM
bibechana-4923	66	18	)	)	PUNCT
bibechana-4923	66	19	.	.	PUNCT
bibechana-4923	67	1	the	the	DET
bibechana-4923	67	2	dft	dft	PROPN
bibechana-4923	67	3	includes	include	VERB
bibechana-4923	67	4	some	some	DET
bibechana-4923	67	5	electron	electron	NOUN
bibechana-4923	67	6	correlation	correlation	NOUN
bibechana-4923	67	7	effects	effect	NOUN
bibechana-4923	67	8	and	and	CCONJ
bibechana-4923	67	9	hence	hence	ADV
bibechana-4923	67	10	the	the	DET
bibechana-4923	67	11	calculations	calculation	NOUN
bibechana-4923	67	12	with	with	ADP
bibechana-4923	67	13	this	this	DET
bibechana-4923	67	14	method	method	NOUN
bibechana-4923	67	15	are	be	AUX
bibechana-4923	67	16	better	well	ADJ
bibechana-4923	67	17	than	than	ADP
bibechana-4923	67	18	the	the	DET
bibechana-4923	67	19	hf	hf	PROPN
bibechana-4923	67	20	approach	approach	NOUN
bibechana-4923	67	21	.	.	PUNCT
bibechana-4923	68	1	the	the	DET
bibechana-4923	68	2	energy	energy	NOUN
bibechana-4923	68	3	calculated	calculate	VERB
bibechana-4923	68	4	by	by	ADP
bibechana-4923	68	5	dft	dft	PROPN
bibechana-4923	68	6	(	(	PUNCT
bibechana-4923	68	7	-1612.2632515	-1612.2632515	PROPN
bibechana-4923	68	8	hartree	hartree	PROPN
bibechana-4923	68	9	)	)	PUNCT
bibechana-4923	68	10	is	be	AUX
bibechana-4923	68	11	lower	low	ADJ
bibechana-4923	68	12	than	than	ADP
bibechana-4923	68	13	the	the	DET
bibechana-4923	68	14	one	one	NOUN
bibechana-4923	68	15	calculated	calculate	VERB
bibechana-4923	68	16	by	by	ADP
bibechana-4923	68	17	hf	hf	PROPN
bibechana-4923	68	18	(	(	PUNCT
bibechana-4923	68	19	-1612.2607923	-1612.2607923	NUM
bibechana-4923	68	20	hartree	hartree	NOUN
bibechana-4923	68	21	)	)	PUNCT
bibechana-4923	68	22	.	.	PUNCT
bibechana-4923	69	1	the	the	DET
bibechana-4923	69	2	optimized	optimize	VERB
bibechana-4923	69	3	structural	structural	ADJ
bibechana-4923	69	4	parameters	parameter	NOUN
bibechana-4923	69	5	(	(	PUNCT
bibechana-4923	69	6	bond	bond	NOUN
bibechana-4923	69	7	lengths	length	NOUN
bibechana-4923	69	8	,	,	PUNCT
bibechana-4923	69	9	bond	bond	NOUN
bibechana-4923	69	10	angles	angle	NOUN
bibechana-4923	69	11	,	,	PUNCT
bibechana-4923	69	12	dihedral	dihedral	ADJ
bibechana-4923	69	13	angles	angle	NOUN
bibechana-4923	69	14	)	)	PUNCT
bibechana-4923	69	15	of	of	ADP
bibechana-4923	69	16	yhcl	yhcl	PRON
bibechana-4923	69	17	have	have	AUX
bibechana-4923	69	18	been	be	AUX
bibechana-4923	69	19	compared	compare	VERB
bibechana-4923	69	20	with	with	ADP
bibechana-4923	69	21	the	the	DET
bibechana-4923	69	22	experimental	experimental	ADJ
bibechana-4923	69	23	one	one	NUM
bibechana-4923	69	24	.	.	PUNCT
bibechana-4923	70	1	the	the	DET
bibechana-4923	70	2	difference	difference	NOUN
bibechana-4923	70	3	between	between	ADP
bibechana-4923	70	4	experimental	experimental	ADJ
bibechana-4923	70	5	and	and	CCONJ
bibechana-4923	70	6	calculated	calculated	ADJ
bibechana-4923	70	7	values	value	NOUN
bibechana-4923	70	8	of	of	ADP
bibechana-4923	70	9	bond	bond	NOUN
bibechana-4923	70	10	-	-	PUNCT
bibechana-4923	70	11	lengths	length	NOUN
bibechana-4923	70	12	is	be	AUX
bibechana-4923	70	13	not	not	PART
bibechana-4923	70	14	more	more	ADJ
bibechana-4923	70	15	than	than	ADP
bibechana-4923	70	16	0.04å	0.04å	NUM
bibechana-4923	70	17	,	,	PUNCT
bibechana-4923	70	18	both	both	PRON
bibechana-4923	70	19	in	in	ADP
bibechana-4923	70	20	dft	dft	PROPN
bibechana-4923	70	21	and	and	CCONJ
bibechana-4923	70	22	hf	hf	ADJ
bibechana-4923	70	23	methods	method	NOUN
bibechana-4923	70	24	.	.	PUNCT
bibechana-4923	71	1	the	the	DET
bibechana-4923	71	2	bond	bond	NOUN
bibechana-4923	71	3	angles	angle	NOUN
bibechana-4923	71	4	differ	differ	VERB
bibechana-4923	71	5	by	by	ADP
bibechana-4923	71	6	not	not	PART
bibechana-4923	71	7	more	more	ADJ
bibechana-4923	71	8	than	than	ADP
bibechana-4923	71	9	2.5o	2.5o	NUM
bibechana-4923	71	10	except	except	SCONJ
bibechana-4923	71	11	the	the	DET
bibechana-4923	71	12	angles	angle	NOUN
bibechana-4923	71	13	,	,	PUNCT
bibechana-4923	71	14	c19	c19	NOUN
bibechana-4923	71	15	-	-	PUNCT
bibechana-4923	71	16	o2	o2	PROPN
bibechana-4923	71	17	-	-	PUNCT
bibechana-4923	71	18	c26	c26	NOUN
bibechana-4923	71	19	and	and	CCONJ
bibechana-4923	71	20	o1	o1	NOUN
bibechana-4923	71	21	-	-	PUNCT
bibechana-4923	71	22	c13	c13	NOUN
bibechana-4923	71	23	-	-	PUNCT
bibechana-4923	71	24	c10	c10	PROPN
bibechana-4923	71	25	which	which	PRON
bibechana-4923	71	26	differ	differ	VERB
bibechana-4923	71	27	by	by	ADP
bibechana-4923	71	28	4.82o/5.82o	4.82o/5.82o	NOUN
bibechana-4923	71	29	and	and	CCONJ
bibechana-4923	71	30	5.64o	5.64o	NUM
bibechana-4923	71	31	/5.64o	/5.64o	PUNCT
bibechana-4923	71	32	in	in	ADP
bibechana-4923	71	33	the	the	DET
bibechana-4923	71	34	dft	dft	PROPN
bibechana-4923	71	35	/	/	SYM
bibechana-4923	71	36	hf	hf	NOUN
bibechana-4923	71	37	respectively	respectively	ADV
bibechana-4923	71	38	.	.	PUNCT
bibechana-4923	72	1	similarly	similarly	ADV
bibechana-4923	72	2	the	the	DET
bibechana-4923	72	3	dihedral	dihedral	ADJ
bibechana-4923	72	4	angles	angle	NOUN
bibechana-4923	72	5	differ	differ	VERB
bibechana-4923	72	6	by	by	ADP
bibechana-4923	72	7	not	not	PART
bibechana-4923	72	8	more	more	ADJ
bibechana-4923	72	9	than	than	ADP
bibechana-4923	72	10	4.9	4.9	NUM
bibechana-4923	72	11	o	o	NOUN
bibechana-4923	72	12	except	except	SCONJ
bibechana-4923	72	13	the	the	DET
bibechana-4923	72	14	angles	angles	NOUN
bibechana-4923	72	15	c6	c6	PROPN
bibechana-4923	72	16	-	-	PUNCT
bibechana-4923	72	17	c10	c10	VERB
bibechana-4923	72	18	-	-	PUNCT
bibechana-4923	72	19	c19	c19	NOUN
bibechana-4923	72	20	-	-	PUNCT
bibechana-4923	72	21	o2	o2	PROPN
bibechana-4923	72	22	and	and	CCONJ
bibechana-4923	72	23	c6	c6	PROPN
bibechana-4923	72	24	-	-	PUNCT
bibechana-4923	72	25	c10	c10	VERB
bibechana-4923	72	26	-	-	PUNCT
bibechana-4923	72	27	c19	c19	NOUN
bibechana-4923	72	28	-	-	PUNCT
bibechana-4923	72	29	o3	o3	PROPN
bibechana-4923	72	30	differ	differ	VERB
bibechana-4923	72	31	by	by	ADP
bibechana-4923	72	32	6.83o/6.83o	6.83o/6.83o	PROPN
bibechana-4923	72	33	and	and	CCONJ
bibechana-4923	72	34	6.34o/6.34o	6.34o/6.34o	NUM
bibechana-4923	72	35	in	in	ADP
bibechana-4923	72	36	the	the	DET
bibechana-4923	72	37	dft	dft	PROPN
bibechana-4923	72	38	/	/	SYM
bibechana-4923	72	39	hf	hf	NOUN
bibechana-4923	72	40	respectively	respectively	ADV
bibechana-4923	72	41	.	.	PUNCT
bibechana-4923	73	1	4	4	X
bibechana-4923	73	2	.	.	NOUN
bibechana-4923	73	3	results	result	NOUN
bibechana-4923	73	4	and	and	CCONJ
bibechana-4923	73	5	discussion	discussion	NOUN
bibechana-4923	73	6	4.1	4.1	NUM
bibechana-4923	73	7	molecular	molecular	ADJ
bibechana-4923	73	8	electrostatic	electrostatic	ADJ
bibechana-4923	73	9	potential	potential	NOUN
bibechana-4923	73	10	the	the	DET
bibechana-4923	73	11	molecular	molecular	ADJ
bibechana-4923	73	12	electrostatic	electrostatic	ADJ
bibechana-4923	73	13	potential	potential	NOUN
bibechana-4923	73	14	(	(	PUNCT
bibechana-4923	73	15	esp	esp	ADJ
bibechana-4923	73	16	)	)	PUNCT
bibechana-4923	73	17	of	of	ADP
bibechana-4923	73	18	a	a	DET
bibechana-4923	73	19	molecule	molecule	NOUN
bibechana-4923	73	20	at	at	ADP
bibechana-4923	73	21	a	a	DET
bibechana-4923	73	22	point	point	NOUN
bibechana-4923	73	23	in	in	ADP
bibechana-4923	73	24	space	space	NOUN
bibechana-4923	73	25	around	around	ADP
bibechana-4923	73	26	it	it	PRON
bibechana-4923	73	27	gives	give	VERB
bibechana-4923	73	28	an	an	DET
bibechana-4923	73	29	indication	indication	NOUN
bibechana-4923	73	30	of	of	ADP
bibechana-4923	73	31	the	the	DET
bibechana-4923	73	32	net	net	ADJ
bibechana-4923	73	33	electrostatic	electrostatic	ADJ
bibechana-4923	73	34	effect	effect	NOUN
bibechana-4923	73	35	produced	produce	VERB
bibechana-4923	73	36	by	by	ADP
bibechana-4923	73	37	the	the	DET
bibechana-4923	73	38	total	total	ADJ
bibechana-4923	73	39	charge	charge	NOUN
bibechana-4923	73	40	distribution	distribution	NOUN
bibechana-4923	73	41	(	(	PUNCT
bibechana-4923	73	42	electrons	electron	NOUN
bibechana-4923	73	43	+	+	CCONJ
bibechana-4923	73	44	nuclei	nucleus	NOUN
bibechana-4923	73	45	)	)	PUNCT
bibechana-4923	73	46	of	of	ADP
bibechana-4923	73	47	the	the	DET
bibechana-4923	73	48	molecule	molecule	NOUN
bibechana-4923	73	49	.	.	PUNCT
bibechana-4923	74	1	the	the	DET
bibechana-4923	74	2	molecular	molecular	ADJ
bibechana-4923	74	3	esp	esp	NOUN
bibechana-4923	74	4	of	of	ADP
bibechana-4923	74	5	yhcl	yhcl	PROPN
bibechana-4923	74	6	molecule	molecule	NOUN
bibechana-4923	74	7	is	be	AUX
bibechana-4923	74	8	shown	show	VERB
bibechana-4923	74	9	in	in	ADP
bibechana-4923	74	10	figure	figure	NOUN
bibechana-4923	74	11	3	3	NUM
bibechana-4923	74	12	.	.	PUNCT
bibechana-4923	75	1	it	it	PRON
bibechana-4923	75	2	correlates	correlate	VERB
bibechana-4923	75	3	the	the	DET
bibechana-4923	75	4	total	total	ADJ
bibechana-4923	75	5	charge	charge	NOUN
bibechana-4923	75	6	distribution	distribution	NOUN
bibechana-4923	75	7	with	with	ADP
bibechana-4923	75	8	dipole	dipole	NOUN
bibechana-4923	75	9	moments	moment	NOUN
bibechana-4923	75	10	,	,	PUNCT
bibechana-4923	75	11	partial	partial	ADJ
bibechana-4923	75	12	charges	charge	NOUN
bibechana-4923	75	13	,	,	PUNCT
bibechana-4923	75	14	electro	electro	NOUN
bibechana-4923	75	15	-	-	PUNCT
bibechana-4923	75	16	negativity	negativity	NOUN
bibechana-4923	75	17	and	and	CCONJ
bibechana-4923	75	18	site	site	NOUN
bibechana-4923	75	19	of	of	ADP
bibechana-4923	75	20	chemical	chemical	ADJ
bibechana-4923	75	21	reactivity	reactivity	NOUN
bibechana-4923	75	22	of	of	ADP
bibechana-4923	75	23	a	a	DET
bibechana-4923	75	24	molecule	molecule	NOUN
bibechana-4923	75	25	.	.	PUNCT
bibechana-4923	76	1	esp	esp	PROPN
bibechana-4923	76	2	provides	provide	VERB
bibechana-4923	76	3	a	a	DET
bibechana-4923	76	4	visual	visual	ADJ
bibechana-4923	76	5	method	method	NOUN
bibechana-4923	76	6	to	to	PART
bibechana-4923	76	7	understand	understand	VERB
bibechana-4923	76	8	the	the	DET
bibechana-4923	76	9	relative	relative	ADJ
bibechana-4923	76	10	polarity	polarity	NOUN
bibechana-4923	76	11	of	of	ADP
bibechana-4923	76	12	a	a	DET
bibechana-4923	76	13	molecule	molecule	NOUN
bibechana-4923	76	14	and	and	CCONJ
bibechana-4923	76	15	serves	serve	VERB
bibechana-4923	76	16	as	as	ADP
bibechana-4923	76	17	a	a	DET
bibechana-4923	76	18	useful	useful	ADJ
bibechana-4923	76	19	quantity	quantity	NOUN
bibechana-4923	76	20	to	to	PART
bibechana-4923	76	21	explain	explain	VERB
bibechana-4923	76	22	hydrogen	hydrogen	NOUN
bibechana-4923	76	23	bonding	bonding	NOUN
bibechana-4923	76	24	,	,	PUNCT
bibechana-4923	76	25	reactivity	reactivity	NOUN
bibechana-4923	76	26	and	and	CCONJ
bibechana-4923	76	27	structure	structure	NOUN
bibechana-4923	76	28	-	-	PUNCT
bibechana-4923	76	29	activity	activity	NOUN
bibechana-4923	76	30	relationship	relationship	NOUN
bibechana-4923	76	31	of	of	ADP
bibechana-4923	76	32	molecules	molecule	NOUN
bibechana-4923	76	33	including	include	VERB
bibechana-4923	76	34	biomolecules	biomolecule	NOUN
bibechana-4923	76	35	and	and	CCONJ
bibechana-4923	76	36	drugs	drug	NOUN
bibechana-4923	76	37	[	[	X
bibechana-4923	76	38	18	18	NUM
bibechana-4923	76	39	]	]	PUNCT
bibechana-4923	76	40	.	.	PUNCT
bibechana-4923	77	1	different	different	ADJ
bibechana-4923	77	2	colours	colour	NOUN
bibechana-4923	77	3	represent	represent	VERB
bibechana-4923	77	4	the	the	DET
bibechana-4923	77	5	different	different	ADJ
bibechana-4923	77	6	values	value	NOUN
bibechana-4923	77	7	of	of	ADP
bibechana-4923	77	8	the	the	DET
bibechana-4923	77	9	electrostatic	electrostatic	ADJ
bibechana-4923	77	10	potential	potential	NOUN
bibechana-4923	77	11	at	at	ADP
bibechana-4923	77	12	the	the	DET
bibechana-4923	77	13	surface	surface	NOUN
bibechana-4923	77	14	of	of	ADP
bibechana-4923	77	15	a	a	DET
bibechana-4923	77	16	molecule	molecule	NOUN
bibechana-4923	77	17	.	.	PUNCT
bibechana-4923	78	1	in	in	ADP
bibechana-4923	78	2	general	general	ADJ
bibechana-4923	78	3	,	,	PUNCT
bibechana-4923	78	4	red	red	ADJ
bibechana-4923	78	5	colour	colour	NOUN
bibechana-4923	78	6	represents	represent	VERB
bibechana-4923	78	7	the	the	DET
bibechana-4923	78	8	regions	region	NOUN
bibechana-4923	78	9	of	of	ADP
bibechana-4923	78	10	most	most	ADJ
bibechana-4923	78	11	negative	negative	ADJ
bibechana-4923	78	12	electrostatic	electrostatic	ADJ
bibechana-4923	78	13	potential	potential	NOUN
bibechana-4923	78	14	(	(	PUNCT
bibechana-4923	78	15	possess	possess	VERB
bibechana-4923	78	16	electrophilic	electrophilic	ADJ
bibechana-4923	78	17	property	property	NOUN
bibechana-4923	78	18	)	)	PUNCT
bibechana-4923	78	19	,	,	PUNCT
bibechana-4923	78	20	blue	blue	NOUN
bibechana-4923	78	21	represents	represent	VERB
bibechana-4923	78	22	the	the	DET
bibechana-4923	78	23	regions	region	NOUN
bibechana-4923	78	24	of	of	ADP
bibechana-4923	78	25	most	most	ADV
bibechana-4923	78	26	positive	positive	ADJ
bibechana-4923	78	27	electrostatic	electrostatic	ADJ
bibechana-4923	78	28	potential	potential	NOUN
bibechana-4923	78	29	(	(	PUNCT
bibechana-4923	78	30	possess	possess	NOUN
bibechana-4923	78	31	nucleophilic	nucleophilic	ADJ
bibechana-4923	78	32	property	property	NOUN
bibechana-4923	78	33	)	)	PUNCT
bibechana-4923	78	34	and	and	CCONJ
bibechana-4923	78	35	green	green	PROPN
bibechana-4923	78	36	represents	represent	VERB
bibechana-4923	78	37	the	the	DET
bibechana-4923	78	38	regions	region	NOUN
bibechana-4923	78	39	of	of	ADP
bibechana-4923	78	40	zero	zero	NUM
bibechana-4923	78	41	potential	potential	NOUN
bibechana-4923	78	42	.	.	PUNCT
bibechana-4923	79	1	potential	potential	ADJ
bibechana-4923	79	2	increases	increase	NOUN
bibechana-4923	79	3	in	in	ADP
bibechana-4923	79	4	the	the	DET
bibechana-4923	79	5	order	order	NOUN
bibechana-4923	79	6	red	red	VERB
bibechana-4923	79	7	<	<	X
bibechana-4923	79	8	orange	orange	PROPN
bibechana-4923	79	9	<	<	X
bibechana-4923	79	10	yellow	yellow	PROPN
bibechana-4923	79	11	<	<	X
bibechana-4923	79	12	green	green	ADJ
bibechana-4923	79	13	<	<	X
bibechana-4923	79	14	blue	blue	NOUN
bibechana-4923	79	15	.	.	PUNCT
bibechana-4923	80	1	the	the	DET
bibechana-4923	80	2	electrostatic	electrostatic	ADJ
bibechana-4923	80	3	potential	potential	NOUN
bibechana-4923	80	4	has	have	AUX
bibechana-4923	80	5	been	be	AUX
bibechana-4923	80	6	used	use	VERB
bibechana-4923	80	7	primarily	primarily	ADV
bibechana-4923	80	8	for	for	ADP
bibechana-4923	80	9	predicting	predict	VERB
bibechana-4923	80	10	sites	site	NOUN
bibechana-4923	80	11	and	and	CCONJ
bibechana-4923	80	12	relative	relative	ADJ
bibechana-4923	80	13	reactivities	reactivity	NOUN
bibechana-4923	80	14	towards	towards	ADP
bibechana-4923	80	15	electrophilic	electrophilic	ADJ
bibechana-4923	80	16	attack	attack	NOUN
bibechana-4923	80	17	and	and	CCONJ
bibechana-4923	80	18	in	in	ADP
bibechana-4923	80	19	studies	study	NOUN
bibechana-4923	80	20	of	of	ADP
bibechana-4923	80	21	biological	biological	ADJ
bibechana-4923	80	22	recognition	recognition	NOUN
bibechana-4923	80	23	and	and	CCONJ
bibechana-4923	80	24	hydrogen	hydrogen	NOUN
bibechana-4923	80	25	bonding	bonding	NOUN
bibechana-4923	80	26	interactions	interaction	NOUN
bibechana-4923	80	27	[	[	X
bibechana-4923	80	28	19	19	NUM
bibechana-4923	80	29	]	]	PUNCT
bibechana-4923	80	30	.	.	PUNCT
bibechana-4923	81	1	in	in	ADP
bibechana-4923	81	2	order	order	NOUN
bibechana-4923	81	3	to	to	PART
bibechana-4923	81	4	predict	predict	VERB
bibechana-4923	81	5	the	the	DET
bibechana-4923	81	6	reactive	reactive	ADJ
bibechana-4923	81	7	sites	site	NOUN
bibechana-4923	81	8	for	for	ADP
bibechana-4923	81	9	electrophilic	electrophilic	ADJ
bibechana-4923	81	10	and	and	CCONJ
bibechana-4923	81	11	nucleophilic	nucleophilic	ADJ
bibechana-4923	81	12	attacks	attack	NOUN
bibechana-4923	81	13	of	of	ADP
bibechana-4923	81	14	the	the	DET
bibechana-4923	81	15	title	title	NOUN
bibechana-4923	81	16	molecule	molecule	NOUN
bibechana-4923	81	17	,	,	PUNCT
bibechana-4923	81	18	such	such	ADJ
bibechana-4923	81	19	electrostatic	electrostatic	ADJ
bibechana-4923	81	20	potential	potential	ADJ
bibechana-4923	81	21	surfaces	surface	NOUN
bibechana-4923	81	22	have	have	AUX
bibechana-4923	81	23	been	be	AUX
bibechana-4923	81	24	plotted	plot	VERB
bibechana-4923	81	25	for	for	ADP
bibechana-4923	81	26	molecules	molecule	NOUN
bibechana-4923	81	27	in	in	ADP
bibechana-4923	81	28	6	6	NUM
bibechana-4923	81	29	-	-	PUNCT
bibechana-4923	81	30	311++g(d	311++g(d	ADJ
bibechana-4923	81	31	,	,	PUNCT
bibechana-4923	81	32	p	p	NOUN
bibechana-4923	81	33	)	)	PUNCT
bibechana-4923	81	34	basis	basis	NOUN
bibechana-4923	81	35	set	set	NOUN
bibechana-4923	81	36	using	use	VERB
bibechana-4923	81	37	the	the	DET
bibechana-4923	81	38	computer	computer	NOUN
bibechana-4923	81	39	software	software	NOUN
bibechana-4923	81	40	gaussview	gaussview	NOUN
bibechana-4923	81	41	ver.09	ver.09	NOUN
bibechana-4923	82	1	[	[	X
bibechana-4923	82	2	14	14	NUM
bibechana-4923	82	3	]	]	PUNCT
bibechana-4923	82	4	as	as	SCONJ
bibechana-4923	82	5	shown	show	VERB
bibechana-4923	82	6	in	in	ADP
bibechana-4923	82	7	figure	figure	NOUN
bibechana-4923	82	8	3	3	NUM
bibechana-4923	82	9	.	.	PUNCT
bibechana-4923	83	1	in	in	ADP
bibechana-4923	83	2	yhcl	yhcl	PROPN
bibechana-4923	83	3	molecule	molecule	NOUN
bibechana-4923	83	4	,	,	PUNCT
bibechana-4923	83	5	the	the	DET
bibechana-4923	83	6	regions	region	NOUN
bibechana-4923	83	7	near	near	ADP
bibechana-4923	83	8	bhawani	bhawani	PROPN
bibechana-4923	83	9	datt	datt	PROPN
bibechana-4923	83	10	joshi	joshi	PROPN
bibechana-4923	83	11	et	et	PROPN
bibechana-4923	84	1	al./	al./	ADV
bibechana-4923	84	2	bibechana	bibechana	PROPN
bibechana-4923	84	3	8	8	NUM
bibechana-4923	84	4	(	(	PUNCT
bibechana-4923	84	5	2012	2012	NUM
bibechana-4923	84	6	)	)	PUNCT
bibechana-4923	84	7	73	73	NUM
bibechana-4923	84	8	-	-	SYM
bibechana-4923	84	9	80	80	NUM
bibechana-4923	84	10	:	:	PUNCT
bibechana-4923	84	11	bmhss	bmhss	PROPN
bibechana-4923	84	12	,	,	PUNCT
bibechana-4923	84	13	p.77	p.77	ADJ
bibechana-4923	84	14	fig	fig	NOUN
bibechana-4923	84	15	.	.	PUNCT
bibechana-4923	85	1	3	3	X
bibechana-4923	85	2	.	.	X
bibechana-4923	85	3	molecular	molecular	ADJ
bibechana-4923	85	4	electrostatic	electrostatic	ADJ
bibechana-4923	85	5	potential	potential	NOUN
bibechana-4923	85	6	mapped	map	VERB
bibechana-4923	85	7	on	on	ADP
bibechana-4923	85	8	the	the	DET
bibechana-4923	85	9	isodensity	isodensity	NOUN
bibechana-4923	85	10	surface	surface	NOUN
bibechana-4923	85	11	in	in	ADP
bibechana-4923	85	12	the	the	DET
bibechana-4923	85	13	range	range	NOUN
bibechana-4923	85	14	from	from	ADP
bibechana-4923	85	15	-7.390	-7.390	PROPN
bibechana-4923	85	16	*	*	NUM
bibechana-4923	85	17	102	102	NUM
bibechana-4923	85	18	(	(	PUNCT
bibechana-4923	85	19	red	red	NOUN
bibechana-4923	85	20	)	)	PUNCT
bibechana-4923	85	21	to	to	ADP
bibechana-4923	85	22	+7.390	+7.390	NOUN
bibechana-4923	85	23	*	*	PUNCT
bibechana-4923	85	24	10	10	NUM
bibechana-4923	85	25	-	-	SYM
bibechana-4923	85	26	2	2	NUM
bibechana-4923	85	27	(	(	PUNCT
bibechana-4923	85	28	blue	blue	NOUN
bibechana-4923	85	29	)	)	PUNCT
bibechana-4923	85	30	for	for	ADP
bibechana-4923	85	31	yhcl	yhcl	PRON
bibechana-4923	85	32	.	.	PUNCT
bibechana-4923	86	1	the	the	DET
bibechana-4923	86	2	chlorine	chlorine	NOUN
bibechana-4923	86	3	atom	atom	NOUN
bibechana-4923	86	4	of	of	ADP
bibechana-4923	86	5	hydrochloride	hydrochloride	NOUN
bibechana-4923	86	6	groups	group	NOUN
bibechana-4923	86	7	as	as	ADV
bibechana-4923	86	8	well	well	ADV
bibechana-4923	86	9	as	as	ADP
bibechana-4923	86	10	those	those	PRON
bibechana-4923	86	11	of	of	ADP
bibechana-4923	86	12	hydroxyl	hydroxyl	NOUN
bibechana-4923	86	13	groups	group	NOUN
bibechana-4923	86	14	are	be	AUX
bibechana-4923	86	15	most	most	ADV
bibechana-4923	86	16	negative	negative	ADJ
bibechana-4923	86	17	,	,	PUNCT
bibechana-4923	86	18	while	while	SCONJ
bibechana-4923	86	19	the	the	DET
bibechana-4923	86	20	regions	region	NOUN
bibechana-4923	86	21	near	near	ADP
bibechana-4923	86	22	hydrogen	hydrogen	NOUN
bibechana-4923	86	23	of	of	ADP
bibechana-4923	86	24	hydroxyl	hydroxyl	NOUN
bibechana-4923	86	25	groups	group	NOUN
bibechana-4923	86	26	are	be	AUX
bibechana-4923	86	27	the	the	DET
bibechana-4923	86	28	most	most	ADV
bibechana-4923	86	29	positive	positive	ADJ
bibechana-4923	86	30	regions	region	NOUN
bibechana-4923	86	31	.	.	PUNCT
bibechana-4923	87	1	4.2	4.2	NUM
bibechana-4923	87	2	vibrational	vibrational	ADJ
bibechana-4923	87	3	assignments	assignment	NOUN
bibechana-4923	87	4	the	the	DET
bibechana-4923	87	5	total	total	ADJ
bibechana-4923	87	6	number	number	NOUN
bibechana-4923	87	7	of	of	ADP
bibechana-4923	87	8	atoms	atom	NOUN
bibechana-4923	87	9	in	in	ADP
bibechana-4923	87	10	a	a	DET
bibechana-4923	87	11	molecule	molecule	NOUN
bibechana-4923	87	12	is	be	AUX
bibechana-4923	87	13	54	54	NUM
bibechana-4923	87	14	,	,	PUNCT
bibechana-4923	87	15	hence	hence	ADV
bibechana-4923	87	16	gives	give	VERB
bibechana-4923	87	17	156	156	NUM
bibechana-4923	87	18	(	(	PUNCT
bibechana-4923	87	19	3n-6	3n-6	NOUN
bibechana-4923	87	20	)	)	PUNCT
bibechana-4923	87	21	normal	normal	ADJ
bibechana-4923	87	22	modes	mode	NOUN
bibechana-4923	87	23	of	of	ADP
bibechana-4923	87	24	vibrations	vibration	NOUN
bibechana-4923	87	25	.	.	PUNCT
bibechana-4923	88	1	all	all	DET
bibechana-4923	88	2	the	the	DET
bibechana-4923	88	3	156	156	NUM
bibechana-4923	88	4	fundamental	fundamental	ADJ
bibechana-4923	88	5	vibrations	vibration	NOUN
bibechana-4923	88	6	of	of	ADP
bibechana-4923	88	7	the	the	DET
bibechana-4923	88	8	yhcl	yhcl	PROPN
bibechana-4923	88	9	molecule	molecule	NOUN
bibechana-4923	88	10	are	be	AUX
bibechana-4923	88	11	both	both	PRON
bibechana-4923	88	12	raman	raman	ADJ
bibechana-4923	88	13	and	and	CCONJ
bibechana-4923	88	14	ir	ir	NOUN
bibechana-4923	88	15	active	active	ADJ
bibechana-4923	88	16	.	.	PUNCT
bibechana-4923	89	1	the	the	DET
bibechana-4923	89	2	vibrational	vibrational	ADJ
bibechana-4923	89	3	spectrum	spectrum	NOUN
bibechana-4923	89	4	is	be	AUX
bibechana-4923	89	5	mainly	mainly	ADV
bibechana-4923	89	6	determined	determine	VERB
bibechana-4923	89	7	by	by	ADP
bibechana-4923	89	8	the	the	DET
bibechana-4923	89	9	modes	mode	NOUN
bibechana-4923	89	10	of	of	ADP
bibechana-4923	89	11	the	the	DET
bibechana-4923	89	12	free	free	ADJ
bibechana-4923	89	13	molecule	molecule	NOUN
bibechana-4923	89	14	observed	observe	VERB
bibechana-4923	89	15	at	at	ADP
bibechana-4923	89	16	higher	high	ADJ
bibechana-4923	89	17	wavenumbers	wavenumber	NOUN
bibechana-4923	89	18	,	,	PUNCT
bibechana-4923	89	19	together	together	ADV
bibechana-4923	89	20	with	with	ADP
bibechana-4923	89	21	the	the	DET
bibechana-4923	89	22	lattice	lattice	PROPN
bibechana-4923	89	23	(	(	PUNCT
bibechana-4923	89	24	translational	translational	ADJ
bibechana-4923	89	25	and	and	CCONJ
bibechana-4923	89	26	vlibrational	vlibrational	ADJ
bibechana-4923	89	27	)	)	PUNCT
bibechana-4923	89	28	modes	mode	NOUN
bibechana-4923	89	29	in	in	ADP
bibechana-4923	89	30	the	the	DET
bibechana-4923	89	31	low	low	ADJ
bibechana-4923	89	32	wavenumber	wavenumber	NOUN
bibechana-4923	89	33	region	region	NOUN
bibechana-4923	89	34	.	.	PUNCT
bibechana-4923	90	1	all	all	DET
bibechana-4923	90	2	the	the	DET
bibechana-4923	90	3	vibrational	vibrational	ADJ
bibechana-4923	90	4	bands	band	NOUN
bibechana-4923	90	5	have	have	AUX
bibechana-4923	90	6	been	be	AUX
bibechana-4923	90	7	assigned	assign	VERB
bibechana-4923	90	8	satisfactorily	satisfactorily	ADV
bibechana-4923	90	9	.	.	PUNCT
bibechana-4923	91	1	the	the	DET
bibechana-4923	91	2	assigned	assign	VERB
bibechana-4923	91	3	wavenumbers	wavenumber	NOUN
bibechana-4923	91	4	of	of	ADP
bibechana-4923	91	5	the	the	DET
bibechana-4923	91	6	selected	select	VERB
bibechana-4923	91	7	vibrational	vibrational	ADJ
bibechana-4923	91	8	modes	mode	NOUN
bibechana-4923	91	9	calculated	calculate	VERB
bibechana-4923	91	10	at	at	ADP
bibechana-4923	91	11	the	the	DET
bibechana-4923	91	12	hf	hf	NOUN
bibechana-4923	91	13	and	and	CCONJ
bibechana-4923	91	14	b3lyp	b3lyp	NUM
bibechana-4923	91	15	level	level	NOUN
bibechana-4923	91	16	with	with	ADP
bibechana-4923	91	17	the	the	DET
bibechana-4923	91	18	basis	basis	NOUN
bibechana-4923	91	19	set	set	VERB
bibechana-4923	91	20	6	6	NUM
bibechana-4923	91	21	-	-	PUNCT
bibechana-4923	91	22	311++g(d	311++g(d	NUM
bibechana-4923	91	23	,	,	PUNCT
bibechana-4923	91	24	p	p	NOUN
bibechana-4923	91	25	)	)	PUNCT
bibechana-4923	91	26	along	along	ADP
bibechana-4923	91	27	with	with	ADP
bibechana-4923	91	28	their	their	PRON
bibechana-4923	91	29	ped	ped	NOUN
bibechana-4923	91	30	are	be	AUX
bibechana-4923	91	31	given	give	VERB
bibechana-4923	91	32	in	in	ADP
bibechana-4923	91	33	table	table	NOUN
bibechana-4923	91	34	.	.	PUNCT
bibechana-4923	92	1	since	since	SCONJ
bibechana-4923	92	2	the	the	DET
bibechana-4923	92	3	vibrational	vibrational	ADJ
bibechana-4923	92	4	wavenumbers	wavenumber	NOUN
bibechana-4923	92	5	obtained	obtain	VERB
bibechana-4923	92	6	from	from	ADP
bibechana-4923	92	7	the	the	DET
bibechana-4923	92	8	dft	dft	PROPN
bibechana-4923	92	9	calculations	calculation	NOUN
bibechana-4923	92	10	are	be	AUX
bibechana-4923	92	11	higher	high	ADJ
bibechana-4923	92	12	than	than	ADP
bibechana-4923	92	13	the	the	DET
bibechana-4923	92	14	experimental	experimental	ADJ
bibechana-4923	92	15	wavenumbers	wavenumber	NOUN
bibechana-4923	92	16	,	,	PUNCT
bibechana-4923	92	17	they	they	PRON
bibechana-4923	92	18	were	be	AUX
bibechana-4923	92	19	scaled	scale	VERB
bibechana-4923	92	20	down	down	ADP
bibechana-4923	92	21	by	by	ADP
bibechana-4923	92	22	the	the	DET
bibechana-4923	92	23	wavenumber	wavenumber	NOUN
bibechana-4923	92	24	linear	linear	NOUN
bibechana-4923	92	25	scaling	scale	VERB
bibechana-4923	92	26	procedure	procedure	NOUN
bibechana-4923	92	27	(	(	PUNCT
bibechana-4923	92	28	wls	wl	NOUN
bibechana-4923	92	29	)	)	PUNCT
bibechana-4923	93	1	[	[	X
bibechana-4923	93	2	νobs	νobs	ADJ
bibechana-4923	93	3	/	/	SYM
bibechana-4923	93	4	νcal	νcal	ADJ
bibechana-4923	93	5	=	=	X
bibechana-4923	93	6	(	(	PUNCT
bibechana-4923	93	7	1.0087	1.0087	NUM
bibechana-4923	93	8	–	–	PUNCT
bibechana-4923	93	9	0.0000163	0.0000163	NUM
bibechana-4923	93	10	x	x	SYM
bibechana-4923	93	11	νcal	νcal	X
bibechana-4923	93	12	)	)	PUNCT
bibechana-4923	93	13	cm-1	cm-1	PROPN
bibechana-4923	93	14	]	]	PUNCT
bibechana-4923	93	15	of	of	ADP
bibechana-4923	93	16	yoshida	yoshida	PROPN
bibechana-4923	93	17	et	et	PROPN
bibechana-4923	93	18	al	al	PROPN
bibechana-4923	93	19	.	.	PUNCT
bibechana-4923	94	1	[	[	X
bibechana-4923	94	2	20	20	NUM
bibechana-4923	94	3	]	]	PUNCT
bibechana-4923	94	4	and	and	CCONJ
bibechana-4923	94	5	a	a	DET
bibechana-4923	94	6	comparison	comparison	NOUN
bibechana-4923	94	7	was	be	AUX
bibechana-4923	94	8	made	make	VERB
bibechana-4923	94	9	with	with	ADP
bibechana-4923	94	10	the	the	DET
bibechana-4923	94	11	experimental	experimental	ADJ
bibechana-4923	94	12	values	value	NOUN
bibechana-4923	94	13	.	.	PUNCT
bibechana-4923	95	1	however	however	ADV
bibechana-4923	95	2	there	there	PRON
bibechana-4923	95	3	are	be	VERB
bibechana-4923	95	4	different	different	ADJ
bibechana-4923	95	5	scaling	scaling	NOUN
bibechana-4923	95	6	factors	factor	NOUN
bibechana-4923	95	7	,	,	PUNCT
bibechana-4923	95	8	but	but	CCONJ
bibechana-4923	95	9	the	the	DET
bibechana-4923	95	10	vibrational	vibrational	ADJ
bibechana-4923	95	11	wavenumbers	wavenumber	NOUN
bibechana-4923	95	12	calculated	calculate	VERB
bibechana-4923	95	13	uniformly	uniformly	ADV
bibechana-4923	95	14	scaled	scale	VERB
bibechana-4923	95	15	with	with	ADP
bibechana-4923	95	16	only	only	ADV
bibechana-4923	95	17	one	one	NUM
bibechana-4923	95	18	scaling	scale	VERB
bibechana-4923	95	19	factor	factor	NOUN
bibechana-4923	95	20	[	[	X
bibechana-4923	95	21	21	21	NUM
bibechana-4923	95	22	]	]	PUNCT
bibechana-4923	95	23	are	be	AUX
bibechana-4923	95	24	often	often	ADV
bibechana-4923	95	25	in	in	ADP
bibechana-4923	95	26	good	good	ADJ
bibechana-4923	95	27	agreement	agreement	NOUN
bibechana-4923	95	28	the	the	DET
bibechana-4923	95	29	observed	observed	ADJ
bibechana-4923	95	30	ones	one	NOUN
bibechana-4923	95	31	.	.	PUNCT
bibechana-4923	96	1	all	all	DET
bibechana-4923	96	2	the	the	DET
bibechana-4923	96	3	calculated	calculated	ADJ
bibechana-4923	96	4	vibrational	vibrational	NOUN
bibechana-4923	96	5	wavenumbers	wavenumber	NOUN
bibechana-4923	96	6	reported	report	VERB
bibechana-4923	96	7	in	in	ADP
bibechana-4923	96	8	this	this	DET
bibechana-4923	96	9	study	study	NOUN
bibechana-4923	96	10	are	be	AUX
bibechana-4923	96	11	the	the	DET
bibechana-4923	96	12	scaled	scale	VERB
bibechana-4923	96	13	values	value	NOUN
bibechana-4923	96	14	.	.	PUNCT
bibechana-4923	97	1	in	in	ADP
bibechana-4923	97	2	the	the	DET
bibechana-4923	97	3	ring	ring	NOUN
bibechana-4923	97	4	r1	r1	NOUN
bibechana-4923	97	5	,	,	PUNCT
bibechana-4923	97	6	the	the	DET
bibechana-4923	97	7	ch	ch	NOUN
bibechana-4923	97	8	stretching	stretching	NOUN
bibechana-4923	97	9	of	of	ADP
bibechana-4923	97	10	the	the	DET
bibechana-4923	97	11	ring	ring	NOUN
bibechana-4923	97	12	is	be	AUX
bibechana-4923	97	13	calculated	calculate	VERB
bibechana-4923	97	14	in	in	ADP
bibechana-4923	97	15	the	the	DET
bibechana-4923	97	16	region	region	NOUN
bibechana-4923	97	17	3052	3052	NUM
bibechana-4923	97	18	-	-	SYM
bibechana-4923	97	19	3027	3027	NUM
bibechana-4923	97	20	cm-1	cm-1	NOUN
bibechana-4923	97	21	and	and	CCONJ
bibechana-4923	97	22	match	match	VERB
bibechana-4923	97	23	well	well	ADV
bibechana-4923	97	24	with	with	ADP
bibechana-4923	97	25	the	the	DET
bibechana-4923	97	26	values	value	NOUN
bibechana-4923	97	27	3057	3057	NUM
bibechana-4923	97	28	,	,	PUNCT
bibechana-4923	97	29	3031	3031	NUM
bibechana-4923	97	30	cm-1	cm-1	VERB
bibechana-4923	97	31	in	in	ADP
bibechana-4923	97	32	the	the	DET
bibechana-4923	97	33	raman	raman	NOUN
bibechana-4923	97	34	and	and	CCONJ
bibechana-4923	97	35	3087	3087	NUM
bibechana-4923	97	36	and	and	CCONJ
bibechana-4923	97	37	3066	3066	NUM
bibechana-4923	97	38	cm-1	cm-1	VERB
bibechana-4923	97	39	in	in	ADP
bibechana-4923	97	40	the	the	DET
bibechana-4923	97	41	ir	ir	PROPN
bibechana-4923	97	42	spectra	spectra	PROPN
bibechana-4923	97	43	.	.	PUNCT
bibechana-4923	98	1	the	the	DET
bibechana-4923	98	2	in	in	ADP
bibechana-4923	98	3	-	-	PUNCT
bibechana-4923	98	4	plane	plane	NOUN
bibechana-4923	98	5	deformations	deformation	NOUN
bibechana-4923	98	6	of	of	ADP
bibechana-4923	98	7	ch	ch	NOUN
bibechana-4923	98	8	group	group	NOUN
bibechana-4923	98	9	are	be	AUX
bibechana-4923	98	10	calculated	calculate	VERB
bibechana-4923	98	11	to	to	PART
bibechana-4923	98	12	be	be	AUX
bibechana-4923	98	13	1453	1453	NUM
bibechana-4923	98	14	,	,	PUNCT
bibechana-4923	98	15	1384	1384	NUM
bibechana-4923	98	16	and	and	CCONJ
bibechana-4923	98	17	1238	1238	NUM
bibechana-4923	98	18	cm-1	cm-1	VERB
bibechana-4923	98	19	and	and	CCONJ
bibechana-4923	98	20	reported	report	VERB
bibechana-4923	98	21	at	at	ADP
bibechana-4923	98	22	1452	1452	NUM
bibechana-4923	98	23	,	,	PUNCT
bibechana-4923	98	24	1383	1383	NUM
bibechana-4923	98	25	and	and	CCONJ
bibechana-4923	98	26	1245	1245	NUM
bibechana-4923	98	27	cm-1	cm-1	VERB
bibechana-4923	98	28	in	in	ADP
bibechana-4923	98	29	the	the	DET
bibechana-4923	98	30	raman	raman	NOUN
bibechana-4923	98	31	and	and	CCONJ
bibechana-4923	98	32	at	at	ADP
bibechana-4923	98	33	1452	1452	NUM
bibechana-4923	98	34	and	and	CCONJ
bibechana-4923	98	35	1234	1234	NUM
bibechana-4923	98	36	cm-1	cm-1	VERB
bibechana-4923	98	37	in	in	ADP
bibechana-4923	98	38	the	the	DET
bibechana-4923	98	39	ir	ir	PROPN
bibechana-4923	98	40	spectrum	spectrum	NOUN
bibechana-4923	98	41	,	,	PUNCT
bibechana-4923	98	42	respectively	respectively	ADV
bibechana-4923	98	43	.	.	PUNCT
bibechana-4923	99	1	in	in	ADP
bibechana-4923	99	2	the	the	DET
bibechana-4923	99	3	ring	ring	NOUN
bibechana-4923	99	4	r2	r2	NOUN
bibechana-4923	99	5	,	,	PUNCT
bibechana-4923	99	6	the	the	DET
bibechana-4923	99	7	n5h	n5h	PROPN
bibechana-4923	99	8	stretching	stretch	VERB
bibechana-4923	99	9	vibration	vibration	NOUN
bibechana-4923	99	10	is	be	AUX
bibechana-4923	99	11	calculated	calculate	VERB
bibechana-4923	99	12	to	to	PART
bibechana-4923	99	13	be	be	AUX
bibechana-4923	99	14	3481	3481	NUM
bibechana-4923	99	15	cm-1	cm-1	NOUN
bibechana-4923	99	16	and	and	CCONJ
bibechana-4923	99	17	observed	observe	VERB
bibechana-4923	99	18	as	as	ADP
bibechana-4923	99	19	high	high	ADJ
bibechana-4923	99	20	intense	intense	ADJ
bibechana-4923	99	21	peak	peak	NOUN
bibechana-4923	99	22	at	at	ADP
bibechana-4923	99	23	3514	3514	NUM
bibechana-4923	99	24	cm-1	cm-1	VERB
bibechana-4923	99	25	in	in	ADP
bibechana-4923	99	26	the	the	DET
bibechana-4923	99	27	ir	ir	PROPN
bibechana-4923	99	28	spectrum	spectrum	NOUN
bibechana-4923	99	29	as	as	SCONJ
bibechana-4923	99	30	shown	show	VERB
bibechana-4923	99	31	in	in	ADP
bibechana-4923	99	32	the	the	DET
bibechana-4923	99	33	figure	figure	NOUN
bibechana-4923	99	34	4	4	NUM
bibechana-4923	99	35	.	.	PUNCT
bibechana-4923	100	1	in	in	ADP
bibechana-4923	100	2	the	the	DET
bibechana-4923	100	3	ring	ring	NOUN
bibechana-4923	100	4	r3	r3	PROPN
bibechana-4923	100	5	,	,	PUNCT
bibechana-4923	100	6	weak	weak	ADJ
bibechana-4923	100	7	asymmetric	asymmetric	ADJ
bibechana-4923	100	8	stretching	stretch	VERB
bibechana-4923	100	9	mode	mode	NOUN
bibechana-4923	100	10	of	of	ADP
bibechana-4923	100	11	c11h2	c11h2	NOUN
bibechana-4923	100	12	is	be	AUX
bibechana-4923	100	13	calculated	calculate	VERB
bibechana-4923	100	14	at	at	ADP
bibechana-4923	100	15	2972	2972	NUM
bibechana-4923	100	16	cm-1	cm-1	NOUN
bibechana-4923	100	17	and	and	CCONJ
bibechana-4923	100	18	assigned	assign	VERB
bibechana-4923	100	19	to	to	ADP
bibechana-4923	100	20	the	the	DET
bibechana-4923	100	21	peak	peak	NOUN
bibechana-4923	100	22	at	at	ADP
bibechana-4923	100	23	2965	2965	NUM
bibechana-4923	100	24	cm-1	cm-1	VERB
bibechana-4923	100	25	in	in	ADP
bibechana-4923	100	26	the	the	DET
bibechana-4923	100	27	raman	raman	NOUN
bibechana-4923	100	28	and	and	CCONJ
bibechana-4923	100	29	2960	2960	NUM
bibechana-4923	100	30	cm-1	cm-1	VERB
bibechana-4923	100	31	in	in	ADP
bibechana-4923	100	32	the	the	DET
bibechana-4923	100	33	ir	ir	PROPN
bibechana-4923	100	34	spectrum	spectrum	NOUN
bibechana-4923	100	35	.	.	PUNCT
bibechana-4923	101	1	symmetric	symmetric	ADJ
bibechana-4923	101	2	stretching	stretch	VERB
bibechana-4923	101	3	vibration	vibration	NOUN
bibechana-4923	101	4	bhawani	bhawani	NOUN
bibechana-4923	101	5	datt	datt	PROPN
bibechana-4923	101	6	joshi	joshi	PROPN
bibechana-4923	101	7	et	et	PROPN
bibechana-4923	101	8	al./	al./	ADV
bibechana-4923	101	9	bibechana	bibechana	PROPN
bibechana-4923	101	10	8	8	NUM
bibechana-4923	101	11	(	(	PUNCT
bibechana-4923	101	12	2012	2012	NUM
bibechana-4923	101	13	)	)	PUNCT
bibechana-4923	101	14	73	73	NUM
bibechana-4923	101	15	-	-	SYM
bibechana-4923	101	16	80	80	NUM
bibechana-4923	101	17	:	:	PUNCT
bibechana-4923	101	18	bmhss	bmhss	PROPN
bibechana-4923	101	19	,	,	PUNCT
bibechana-4923	101	20	p.78	p.78	NOUN
bibechana-4923	101	21	table	table	NOUN
bibechana-4923	101	22	:	:	PUNCT
bibechana-4923	101	23	some	some	PRON
bibechana-4923	101	24	selected	select	VERB
bibechana-4923	101	25	calculated	calculate	VERB
bibechana-4923	101	26	and	and	CCONJ
bibechana-4923	101	27	experimental	experimental	ADJ
bibechana-4923	101	28	wavenumbers	wavenumber	NOUN
bibechana-4923	101	29	(	(	PUNCT
bibechana-4923	101	30	cm-1	cm-1	X
bibechana-4923	101	31	)	)	PUNCT
bibechana-4923	101	32	of	of	ADP
bibechana-4923	101	33	yhcl	yhcl	PROPN
bibechana-4923	101	34	.	.	PUNCT
bibechana-4923	102	1	unscaled	unscaled	PROPN
bibechana-4923	102	2	scaled	scale	VERB
bibechana-4923	102	3	dft	dft	PROPN
bibechana-4923	102	4	hf	hf	PROPN
bibechana-4923	102	5	dft	dft	PROPN
bibechana-4923	102	6	raman	raman	PROPN
bibechana-4923	102	7	ir	ir	PROPN
bibechana-4923	102	8	potential	potential	ADJ
bibechana-4923	102	9	energy	energy	NOUN
bibechana-4923	102	10	distribution	distribution	NOUN
bibechana-4923	102	11	3838	3838	NUM
bibechana-4923	102	12	3631	3631	NUM
bibechana-4923	102	13	3631	3631	NUM
bibechana-4923	102	14	3670	3670	NUM
bibechana-4923	102	15	o1h	o1h	PUNCT
bibechana-4923	102	16	stretching	stretch	VERB
bibechana-4923	102	17	3669	3669	NUM
bibechana-4923	102	18	3481	3481	NUM
bibechana-4923	102	19	3481	3481	NUM
bibechana-4923	102	20	3514	3514	NUM
bibechana-4923	102	21	n5h	n5h	PROPN
bibechana-4923	102	22	stretching	stretch	VERB
bibechana-4923	102	23	3190	3190	NUM
bibechana-4923	102	24	3052	3052	NUM
bibechana-4923	102	25	3052	3052	NUM
bibechana-4923	102	26	3057	3057	NUM
bibechana-4923	102	27	3087	3087	NUM
bibechana-4923	102	28	ch	ch	NOUN
bibechana-4923	102	29	stretching	stretch	VERB
bibechana-4923	102	30	3179	3179	NUM
bibechana-4923	102	31	3042	3042	NUM
bibechana-4923	102	32	3042	3042	NUM
bibechana-4923	102	33	3066	3066	NUM
bibechana-4923	102	34	ch	ch	NOUN
bibechana-4923	102	35	stretching	stretch	VERB
bibechana-4923	102	36	3169	3169	NUM
bibechana-4923	102	37	3033	3033	NUM
bibechana-4923	102	38	3033	3033	NUM
bibechana-4923	102	39	3031	3031	NUM
bibechana-4923	102	40	ch	ch	NOUN
bibechana-4923	102	41	stretching	stretch	VERB
bibechana-4923	102	42	3163	3163	NUM
bibechana-4923	102	43	3027	3027	NUM
bibechana-4923	102	44	3027	3027	NUM
bibechana-4923	102	45	ch	ch	NOUN
bibechana-4923	102	46	stretching	stretch	VERB
bibechana-4923	102	47	3158	3158	NUM
bibechana-4923	102	48	3023	3023	NUM
bibechana-4923	102	49	3023	3023	NUM
bibechana-4923	102	50	3024	3024	NUM
bibechana-4923	102	51	ch3	ch3	PROPN
bibechana-4923	102	52	asym	asym	PROPN
bibechana-4923	102	53	stretching	stretch	VERB
bibechana-4923	102	54	3125	3125	NUM
bibechana-4923	102	55	2993	2993	NUM
bibechana-4923	102	56	2993	2993	NUM
bibechana-4923	102	57	2989	2989	NUM
bibechana-4923	102	58	ch3	ch3	PROPN
bibechana-4923	102	59	asym	asym	PROPN
bibechana-4923	102	60	stretching	stretch	VERB
bibechana-4923	102	61	3102	3102	NUM
bibechana-4923	102	62	2972	2972	NUM
bibechana-4923	102	63	2972	2972	NUM
bibechana-4923	102	64	2965	2965	NUM
bibechana-4923	102	65	2960	2960	NUM
bibechana-4923	102	66	c11h2	c11h2	NOUN
bibechana-4923	102	67	–	–	PUNCT
bibechana-4923	102	68	asym	asym	PROPN
bibechana-4923	102	69	stretching	stretch	VERB
bibechana-4923	102	70	3052	3052	NUM
bibechana-4923	102	71	2927	2927	NUM
bibechana-4923	103	1	2927	2927	NUM
bibechana-4923	103	2	2935	2935	NUM
bibechana-4923	103	3	ch3	ch3	PROPN
bibechana-4923	103	4	sym	sym	NOUN
bibechana-4923	103	5	stretching	stretch	VERB
bibechana-4923	103	6	3034	3034	NUM
bibechana-4923	103	7	2910	2910	NUM
bibechana-4923	103	8	2910	2910	NUM
bibechana-4923	103	9	2911	2911	NUM
bibechana-4923	103	10	c11h2	c11h2	NOUN
bibechana-4923	103	11	–	–	PUNCT
bibechana-4923	103	12	sym	sym	NOUN
bibechana-4923	103	13	stretching	stretch	VERB
bibechana-4923	103	14	3017	3017	NUM
bibechana-4923	103	15	2895	2895	NUM
bibechana-4923	103	16	2895	2895	NUM
bibechana-4923	103	17	2894	2894	NUM
bibechana-4923	103	18	2887	2887	NUM
bibechana-4923	103	19	(	(	PUNCT
bibechana-4923	103	20	c6h	c6h	PROPN
bibechana-4923	103	21	+	+	NOUN
bibechana-4923	103	22	c7h	c7h	PROPN
bibechana-4923	103	23	)	)	PUNCT
bibechana-4923	103	24	stretching	stretch	VERB
bibechana-4923	103	25	3006	3006	NUM
bibechana-4923	103	26	2885	2885	NUM
bibechana-4923	103	27	2885	2885	NUM
bibechana-4923	103	28	2876	2876	NUM
bibechana-4923	103	29	2883	2883	NUM
bibechana-4923	103	30	(	(	PUNCT
bibechana-4923	103	31	c7h	c7h	PROPN
bibechana-4923	103	32	+	+	CCONJ
bibechana-4923	103	33	c6h	c6h	NOUN
bibechana-4923	103	34	)	)	PUNCT
bibechana-4923	103	35	stretching	stretch	VERB
bibechana-4923	103	36	1785	1785	NUM
bibechana-4923	103	37	1748	1748	NUM
bibechana-4923	103	38	1748	1748	NUM
bibechana-4923	103	39	1754	1754	NUM
bibechana-4923	103	40	1718	1718	NUM
bibechana-4923	103	41	c	c	X
bibechana-4923	103	42	=	=	SYM
bibechana-4923	103	43	o	o	X
bibechana-4923	103	44	stretching	stretch	VERB
bibechana-4923	103	45	1478	1478	NUM
bibechana-4923	103	46	1455	1455	NUM
bibechana-4923	103	47	1456	1456	NUM
bibechana-4923	103	48	1453	1453	NUM
bibechana-4923	103	49	1454	1454	NUM
bibechana-4923	103	50	c18h2	c18h2	NOUN
bibechana-4923	103	51	deformation	deformation	NOUN
bibechana-4923	103	52	1476	1476	NUM
bibechana-4923	103	53	1453	1453	NUM
bibechana-4923	103	54	1453	1453	NUM
bibechana-4923	103	55	1452	1452	NUM
bibechana-4923	103	56	1452	1452	NUM
bibechana-4923	103	57	ch	ch	NOUN
bibechana-4923	103	58	in	in	ADP
bibechana-4923	103	59	-	-	PUNCT
bibechana-4923	103	60	plane	plane	NOUN
bibechana-4923	103	61	deformation	deformation	NOUN
bibechana-4923	103	62	1424	1424	NUM
bibechana-4923	103	63	1403	1403	NUM
bibechana-4923	103	64	1403	1403	NUM
bibechana-4923	103	65	1408	1408	NUM
bibechana-4923	103	66	1408	1408	NUM
bibechana-4923	104	1	hc13o1	hc13o1	ADJ
bibechana-4923	104	2	deformation	deformation	NOUN
bibechana-4923	104	3	1403	1403	NUM
bibechana-4923	104	4	1384	1384	NUM
bibechana-4923	104	5	1384	1384	NUM
bibechana-4923	104	6	1383	1383	NUM
bibechana-4923	104	7	ch	ch	NOUN
bibechana-4923	104	8	in	in	ADP
bibechana-4923	104	9	-	-	PUNCT
bibechana-4923	104	10	plane	plane	NOUN
bibechana-4923	104	11	deformation	deformation	NOUN
bibechana-4923	104	12	1253	1253	NUM
bibechana-4923	104	13	1238	1238	NUM
bibechana-4923	104	14	1238	1238	NUM
bibechana-4923	104	15	1245	1245	NUM
bibechana-4923	104	16	1234	1234	NUM
bibechana-4923	104	17	ch	ch	NOUN
bibechana-4923	104	18	–	–	PUNCT
bibechana-4923	104	19	in	in	ADP
bibechana-4923	104	20	-	-	PUNCT
bibechana-4923	104	21	plane	plane	NOUN
bibechana-4923	104	22	deformation	deformation	NOUN
bibechana-4923	104	23	1176	1176	NUM
bibechana-4923	104	24	1163	1163	NUM
bibechana-4923	104	25	1163	1163	NUM
bibechana-4923	104	26	1165	1165	NUM
bibechana-4923	104	27	c13o1h45	c13o1h45	PROPN
bibechana-4923	104	28	deformation	deformation	NOUN
bibechana-4923	104	29	fig	fig	NOUN
bibechana-4923	104	30	.	.	PUNCT
bibechana-4923	105	1	4	4	NUM
bibechana-4923	105	2	:	:	PUNCT
bibechana-4923	105	3	experimental	experimental	ADJ
bibechana-4923	105	4	and	and	CCONJ
bibechana-4923	105	5	calculated	calculate	VERB
bibechana-4923	105	6	(	(	PUNCT
bibechana-4923	105	7	scaled	scale	VERB
bibechana-4923	105	8	)	)	PUNCT
bibechana-4923	105	9	ir	ir	PROPN
bibechana-4923	105	10	absorption	absorption	NOUN
bibechana-4923	105	11	spectra	spectra	NOUN
bibechana-4923	105	12	of	of	ADP
bibechana-4923	105	13	yhcl	yhcl	PROPN
bibechana-4923	105	14	in	in	ADP
bibechana-4923	105	15	the	the	DET
bibechana-4923	105	16	region	region	NOUN
bibechana-4923	105	17	400	400	NUM
bibechana-4923	105	18	-	-	SYM
bibechana-4923	105	19	1800	1800	NUM
bibechana-4923	105	20	and	and	CCONJ
bibechana-4923	105	21	2600	2600	NUM
bibechana-4923	105	22	-	-	SYM
bibechana-4923	105	23	3800	3800	NUM
bibechana-4923	105	24	cm-1	cm-1	NOUN
bibechana-4923	105	25	bhawani	bhawani	PROPN
bibechana-4923	105	26	datt	datt	PROPN
bibechana-4923	105	27	joshi	joshi	PROPN
bibechana-4923	105	28	et	et	PROPN
bibechana-4923	105	29	al./	al./	ADV
bibechana-4923	105	30	bibechana	bibechana	PROPN
bibechana-4923	105	31	8	8	NUM
bibechana-4923	105	32	(	(	PUNCT
bibechana-4923	105	33	2012	2012	NUM
bibechana-4923	105	34	)	)	PUNCT
bibechana-4923	105	35	73	73	NUM
bibechana-4923	105	36	-	-	SYM
bibechana-4923	105	37	80	80	NUM
bibechana-4923	105	38	:	:	PUNCT
bibechana-4923	105	39	bmhss	bmhss	PROPN
bibechana-4923	105	40	,	,	PUNCT
bibechana-4923	105	41	p.79	p.79	ADP
bibechana-4923	105	42	of	of	ADP
bibechana-4923	105	43	this	this	DET
bibechana-4923	105	44	mode	mode	NOUN
bibechana-4923	105	45	is	be	AUX
bibechana-4923	105	46	calculated	calculate	VERB
bibechana-4923	105	47	to	to	PART
bibechana-4923	105	48	be	be	AUX
bibechana-4923	105	49	2910	2910	NUM
bibechana-4923	105	50	cm-1	cm-1	NOUN
bibechana-4923	105	51	and	and	CCONJ
bibechana-4923	105	52	reported	report	VERB
bibechana-4923	105	53	at	at	ADP
bibechana-4923	105	54	2911	2911	NUM
bibechana-4923	105	55	cm-1	cm-1	VERB
bibechana-4923	105	56	in	in	ADP
bibechana-4923	105	57	the	the	DET
bibechana-4923	105	58	raman	raman	NOUN
bibechana-4923	105	59	spectrum	spectrum	NOUN
bibechana-4923	105	60	.	.	PUNCT
bibechana-4923	106	1	the	the	DET
bibechana-4923	106	2	mixed	mixed	ADJ
bibechana-4923	106	3	vibrations	vibration	NOUN
bibechana-4923	106	4	of	of	ADP
bibechana-4923	106	5	c7h	c7h	PROPN
bibechana-4923	106	6	and	and	CCONJ
bibechana-4923	106	7	c6h	c6h	PROPN
bibechana-4923	106	8	stretching	stretching	NOUN
bibechana-4923	106	9	modes	mode	NOUN
bibechana-4923	106	10	are	be	AUX
bibechana-4923	106	11	calculated	calculate	VERB
bibechana-4923	106	12	to	to	PART
bibechana-4923	106	13	be	be	AUX
bibechana-4923	106	14	2885	2885	NUM
bibechana-4923	106	15	/	/	SYM
bibechana-4923	106	16	2895	2895	NUM
bibechana-4923	106	17	cm-1	cm-1	NOUN
bibechana-4923	106	18	and	and	CCONJ
bibechana-4923	106	19	observed	observe	VERB
bibechana-4923	106	20	at	at	ADP
bibechana-4923	106	21	2876/2894	2876/2894	NUM
bibechana-4923	106	22	cm-1	cm-1	VERB
bibechana-4923	106	23	in	in	ADP
bibechana-4923	106	24	the	the	DET
bibechana-4923	106	25	raman	raman	NOUN
bibechana-4923	106	26	and	and	CCONJ
bibechana-4923	106	27	at	at	ADP
bibechana-4923	106	28	2883/2887	2883/2887	NUM
bibechana-4923	106	29	cm-1	cm-1	VERB
bibechana-4923	106	30	in	in	ADP
bibechana-4923	106	31	the	the	DET
bibechana-4923	106	32	ir	ir	PROPN
bibechana-4923	106	33	spectrum	spectrum	NOUN
bibechana-4923	106	34	,	,	PUNCT
bibechana-4923	106	35	which	which	PRON
bibechana-4923	106	36	match	match	VERB
bibechana-4923	106	37	well	well	ADV
bibechana-4923	106	38	with	with	ADP
bibechana-4923	106	39	the	the	DET
bibechana-4923	106	40	experimental	experimental	ADJ
bibechana-4923	106	41	results	result	NOUN
bibechana-4923	106	42	.	.	PUNCT
bibechana-4923	107	1	in	in	ADP
bibechana-4923	107	2	the	the	DET
bibechana-4923	107	3	ring	ring	NOUN
bibechana-4923	107	4	r4	r4	NOUN
bibechana-4923	107	5	,	,	PUNCT
bibechana-4923	107	6	the	the	DET
bibechana-4923	107	7	stretching	stretch	VERB
bibechana-4923	107	8	vibration	vibration	NOUN
bibechana-4923	107	9	of	of	ADP
bibechana-4923	107	10	alcoholic	alcoholic	ADJ
bibechana-4923	107	11	o1h	o1h	PROPN
bibechana-4923	107	12	group	group	NOUN
bibechana-4923	107	13	is	be	AUX
bibechana-4923	107	14	calculated	calculate	VERB
bibechana-4923	107	15	at	at	ADP
bibechana-4923	107	16	3631	3631	NUM
bibechana-4923	107	17	cm-1	cm-1	NOUN
bibechana-4923	107	18	and	and	CCONJ
bibechana-4923	107	19	observed	observe	VERB
bibechana-4923	107	20	to	to	ADP
bibechana-4923	107	21	the	the	DET
bibechana-4923	107	22	weak	weak	ADJ
bibechana-4923	107	23	band	band	NOUN
bibechana-4923	107	24	in	in	ADP
bibechana-4923	107	25	the	the	DET
bibechana-4923	107	26	ir	ir	PROPN
bibechana-4923	107	27	spectrum	spectrum	NOUN
bibechana-4923	107	28	at	at	ADP
bibechana-4923	107	29	3670	3670	NUM
bibechana-4923	107	30	cm-1	cm-1	NOUN
bibechana-4923	107	31	.	.	PUNCT
bibechana-4923	108	1	the	the	DET
bibechana-4923	108	2	o1h	o1h	PROPN
bibechana-4923	108	3	deformations	deformation	NOUN
bibechana-4923	108	4	are	be	AUX
bibechana-4923	108	5	calculated	calculate	VERB
bibechana-4923	108	6	to	to	PART
bibechana-4923	108	7	be	be	AUX
bibechana-4923	108	8	1403/1163	1403/1163	NUM
bibechana-4923	108	9	cm-1	cm-1	NOUN
bibechana-4923	108	10	and	and	CCONJ
bibechana-4923	108	11	reported	report	VERB
bibechana-4923	108	12	at	at	ADP
bibechana-4923	108	13	1408/1165	1408/1165	NUM
bibechana-4923	108	14	cm-1	cm-1	VERB
bibechana-4923	108	15	with	with	ADP
bibechana-4923	108	16	very	very	ADV
bibechana-4923	108	17	weak	weak	ADJ
bibechana-4923	108	18	band	band	NOUN
bibechana-4923	108	19	in	in	ADP
bibechana-4923	108	20	the	the	DET
bibechana-4923	108	21	raman	raman	NOUN
bibechana-4923	108	22	and	and	CCONJ
bibechana-4923	108	23	at	at	ADP
bibechana-4923	108	24	1408	1408	NUM
bibechana-4923	108	25	cm-1	cm-1	VERB
bibechana-4923	108	26	with	with	ADP
bibechana-4923	108	27	a	a	DET
bibechana-4923	108	28	strong	strong	ADJ
bibechana-4923	108	29	band	band	NOUN
bibechana-4923	108	30	in	in	ADP
bibechana-4923	108	31	the	the	DET
bibechana-4923	108	32	ir	ir	PROPN
bibechana-4923	108	33	spectrum	spectrum	NOUN
bibechana-4923	108	34	.	.	PUNCT
bibechana-4923	109	1	the	the	DET
bibechana-4923	109	2	asymmetric	asymmetric	ADJ
bibechana-4923	109	3	stretches	stretch	NOUN
bibechana-4923	109	4	of	of	ADP
bibechana-4923	109	5	ch3	ch3	PROPN
bibechana-4923	109	6	group	group	NOUN
bibechana-4923	109	7	are	be	AUX
bibechana-4923	109	8	calculated	calculate	VERB
bibechana-4923	109	9	to	to	PART
bibechana-4923	109	10	be	be	AUX
bibechana-4923	109	11	3023	3023	NUM
bibechana-4923	109	12	and	and	CCONJ
bibechana-4923	109	13	2993	2993	NUM
bibechana-4923	109	14	cm-1	cm-1	VERB
bibechana-4923	109	15	and	and	CCONJ
bibechana-4923	109	16	reported	report	VERB
bibechana-4923	109	17	at	at	ADP
bibechana-4923	109	18	2989	2989	NUM
bibechana-4923	109	19	cm-1	cm-1	VERB
bibechana-4923	109	20	with	with	ADP
bibechana-4923	109	21	strong	strong	ADJ
bibechana-4923	109	22	intensity	intensity	NOUN
bibechana-4923	109	23	in	in	ADP
bibechana-4923	109	24	the	the	DET
bibechana-4923	109	25	raman	raman	NOUN
bibechana-4923	109	26	and	and	CCONJ
bibechana-4923	109	27	with	with	ADP
bibechana-4923	109	28	weak	weak	ADJ
bibechana-4923	109	29	intensity	intensity	NOUN
bibechana-4923	109	30	at	at	ADP
bibechana-4923	109	31	3024	3024	NUM
bibechana-4923	109	32	cm-1	cm-1	VERB
bibechana-4923	109	33	in	in	ADP
bibechana-4923	109	34	the	the	DET
bibechana-4923	109	35	ir	ir	PROPN
bibechana-4923	109	36	spectrum	spectrum	NOUN
bibechana-4923	109	37	.	.	PUNCT
bibechana-4923	110	1	the	the	DET
bibechana-4923	110	2	ch3	ch3	PROPN
bibechana-4923	110	3	symmetric	symmetric	PROPN
bibechana-4923	110	4	stretching	stretching	NOUN
bibechana-4923	110	5	is	be	AUX
bibechana-4923	110	6	calculated	calculate	VERB
bibechana-4923	110	7	to	to	PART
bibechana-4923	110	8	be	be	AUX
bibechana-4923	110	9	2927	2927	NUM
bibechana-4923	110	10	cm-1	cm-1	NOUN
bibechana-4923	110	11	and	and	CCONJ
bibechana-4923	110	12	reported	report	VERB
bibechana-4923	110	13	at	at	ADP
bibechana-4923	110	14	2935	2935	NUM
bibechana-4923	110	15	cm-1	cm-1	NOUN
bibechana-4923	110	16	with	with	ADP
bibechana-4923	110	17	medium	medium	ADJ
bibechana-4923	110	18	intensity	intensity	NOUN
bibechana-4923	110	19	in	in	ADP
bibechana-4923	110	20	the	the	DET
bibechana-4923	110	21	ir	ir	PROPN
bibechana-4923	110	22	spectrum	spectrum	NOUN
bibechana-4923	110	23	.	.	PUNCT
bibechana-4923	111	1	high	high	ADJ
bibechana-4923	111	2	contributions	contribution	NOUN
bibechana-4923	111	3	of	of	ADP
bibechana-4923	111	4	c	c	NOUN
bibechana-4923	111	5	=	=	NOUN
bibechana-4923	111	6	o	o	NOUN
bibechana-4923	111	7	stretching	stretch	VERB
bibechana-4923	111	8	band	band	NOUN
bibechana-4923	111	9	is	be	AUX
bibechana-4923	111	10	calculated	calculate	VERB
bibechana-4923	111	11	to	to	PART
bibechana-4923	111	12	be	be	AUX
bibechana-4923	111	13	at	at	ADP
bibechana-4923	111	14	1748	1748	NUM
bibechana-4923	111	15	cm1	cm1	NOUN
bibechana-4923	111	16	and	and	CCONJ
bibechana-4923	111	17	match	match	VERB
bibechana-4923	111	18	nicely	nicely	ADV
bibechana-4923	111	19	to	to	ADP
bibechana-4923	111	20	the	the	DET
bibechana-4923	111	21	peak	peak	NOUN
bibechana-4923	111	22	at	at	ADP
bibechana-4923	111	23	1719	1719	NUM
bibechana-4923	111	24	cm-1	cm-1	NOUN
bibechana-4923	111	25	with	with	ADP
bibechana-4923	111	26	weak	weak	ADJ
bibechana-4923	111	27	intensity	intensity	NOUN
bibechana-4923	111	28	in	in	ADP
bibechana-4923	111	29	the	the	DET
bibechana-4923	111	30	raman	raman	NOUN
bibechana-4923	111	31	and	and	CCONJ
bibechana-4923	111	32	with	with	ADP
bibechana-4923	111	33	strong	strong	ADJ
bibechana-4923	111	34	intensity	intensity	NOUN
bibechana-4923	111	35	at	at	ADP
bibechana-4923	111	36	1718	1718	NUM
bibechana-4923	111	37	cm-1	cm-1	VERB
bibechana-4923	111	38	in	in	ADP
bibechana-4923	111	39	the	the	DET
bibechana-4923	111	40	ir	ir	PROPN
bibechana-4923	111	41	spectrum	spectrum	NOUN
bibechana-4923	111	42	.	.	PUNCT
bibechana-4923	112	1	this	this	DET
bibechana-4923	112	2	multiple	multiple	ADJ
bibechana-4923	112	3	bonded	bond	VERB
bibechana-4923	112	4	group	group	NOUN
bibechana-4923	112	5	is	be	AUX
bibechana-4923	112	6	highly	highly	ADV
bibechana-4923	112	7	polar	polar	ADJ
bibechana-4923	112	8	,	,	PUNCT
bibechana-4923	112	9	therefore	therefore	ADV
bibechana-4923	112	10	,	,	PUNCT
bibechana-4923	112	11	gives	give	VERB
bibechana-4923	112	12	rise	rise	NOUN
bibechana-4923	112	13	to	to	ADP
bibechana-4923	112	14	an	an	DET
bibechana-4923	112	15	intense	intense	ADJ
bibechana-4923	112	16	ir	ir	NOUN
bibechana-4923	112	17	band	band	NOUN
bibechana-4923	112	18	.	.	PUNCT
bibechana-4923	113	1	5	5	X
bibechana-4923	113	2	.	.	X
bibechana-4923	113	3	conclusions	conclusion	NOUN
bibechana-4923	113	4	in	in	ADP
bibechana-4923	113	5	this	this	DET
bibechana-4923	113	6	work	work	NOUN
bibechana-4923	113	7	,	,	PUNCT
bibechana-4923	113	8	we	we	PRON
bibechana-4923	113	9	have	have	AUX
bibechana-4923	113	10	performed	perform	VERB
bibechana-4923	113	11	the	the	DET
bibechana-4923	113	12	experimental	experimental	ADJ
bibechana-4923	113	13	and	and	CCONJ
bibechana-4923	113	14	theoretical	theoretical	ADJ
bibechana-4923	113	15	vibrational	vibrational	ADJ
bibechana-4923	113	16	and	and	CCONJ
bibechana-4923	113	17	electrostatic	electrostatic	ADJ
bibechana-4923	113	18	potential	potential	ADJ
bibechana-4923	113	19	surface	surface	NOUN
bibechana-4923	113	20	analysis	analysis	NOUN
bibechana-4923	113	21	of	of	ADP
bibechana-4923	113	22	the	the	DET
bibechana-4923	113	23	yhcl	yhcl	PROPN
bibechana-4923	113	24	.	.	PUNCT
bibechana-4923	114	1	these	these	DET
bibechana-4923	114	2	assignments	assignment	NOUN
bibechana-4923	114	3	are	be	AUX
bibechana-4923	114	4	important	important	ADJ
bibechana-4923	114	5	to	to	PART
bibechana-4923	114	6	understand	understand	VERB
bibechana-4923	114	7	the	the	DET
bibechana-4923	114	8	molecular	molecular	ADJ
bibechana-4923	114	9	structure	structure	NOUN
bibechana-4923	114	10	and	and	CCONJ
bibechana-4923	114	11	biological	biological	ADJ
bibechana-4923	114	12	activity	activity	NOUN
bibechana-4923	114	13	of	of	ADP
bibechana-4923	114	14	the	the	DET
bibechana-4923	114	15	title	title	NOUN
bibechana-4923	114	16	molecule	molecule	NOUN
bibechana-4923	114	17	.	.	PUNCT
bibechana-4923	115	1	the	the	DET
bibechana-4923	115	2	equilibrium	equilibrium	NOUN
bibechana-4923	115	3	geometries	geometry	NOUN
bibechana-4923	115	4	and	and	CCONJ
bibechana-4923	115	5	harmonic	harmonic	ADJ
bibechana-4923	115	6	vibrational	vibrational	ADJ
bibechana-4923	115	7	wavenumbers	wavenumber	NOUN
bibechana-4923	115	8	of	of	ADP
bibechana-4923	115	9	all	all	DET
bibechana-4923	115	10	the	the	DET
bibechana-4923	115	11	156	156	NUM
bibechana-4923	115	12	normal	normal	ADJ
bibechana-4923	115	13	modes	mode	NOUN
bibechana-4923	115	14	of	of	ADP
bibechana-4923	115	15	the	the	DET
bibechana-4923	115	16	molecule	molecule	NOUN
bibechana-4923	115	17	were	be	AUX
bibechana-4923	115	18	determined	determine	VERB
bibechana-4923	115	19	and	and	CCONJ
bibechana-4923	115	20	analyzed	analyze	VERB
bibechana-4923	115	21	both	both	CCONJ
bibechana-4923	115	22	at	at	ADP
bibechana-4923	115	23	dft	dft	PROPN
bibechana-4923	115	24	and	and	CCONJ
bibechana-4923	115	25	hf	hf	ADJ
bibechana-4923	115	26	levels	level	NOUN
bibechana-4923	115	27	of	of	ADP
bibechana-4923	115	28	theory	theory	NOUN
bibechana-4923	115	29	employing	employ	VERB
bibechana-4923	115	30	the	the	DET
bibechana-4923	115	31	6	6	NUM
bibechana-4923	115	32	-	-	PUNCT
bibechana-4923	115	33	311++g(d	311++g(d	NOUN
bibechana-4923	115	34	,	,	PUNCT
bibechana-4923	115	35	p	p	NOUN
bibechana-4923	115	36	)	)	PUNCT
bibechana-4923	115	37	basis	basis	NOUN
bibechana-4923	115	38	set	set	NOUN
bibechana-4923	115	39	.	.	PUNCT
bibechana-4923	116	1	information	information	NOUN
bibechana-4923	116	2	about	about	ADP
bibechana-4923	116	3	the	the	DET
bibechana-4923	116	4	size	size	NOUN
bibechana-4923	116	5	,	,	PUNCT
bibechana-4923	116	6	shape	shape	NOUN
bibechana-4923	116	7	,	,	PUNCT
bibechana-4923	116	8	charge	charge	NOUN
bibechana-4923	116	9	density	density	NOUN
bibechana-4923	116	10	distribution	distribution	NOUN
bibechana-4923	116	11	and	and	CCONJ
bibechana-4923	116	12	structure	structure	NOUN
bibechana-4923	116	13	-	-	PUNCT
bibechana-4923	116	14	activity	activity	NOUN
bibechana-4923	116	15	relationship	relationship	NOUN
bibechana-4923	116	16	of	of	ADP
bibechana-4923	116	17	the	the	DET
bibechana-4923	116	18	yhcl	yhcl	PROPN
bibechana-4923	116	19	molecule	molecule	NOUN
bibechana-4923	116	20	has	have	AUX
bibechana-4923	116	21	been	be	AUX
bibechana-4923	116	22	obtained	obtain	VERB
bibechana-4923	116	23	by	by	ADP
bibechana-4923	116	24	mapping	mapping	NOUN
bibechana-4923	116	25	electron	electron	NOUN
bibechana-4923	116	26	density	density	NOUN
bibechana-4923	116	27	isosurface	isosurface	NOUN
bibechana-4923	116	28	with	with	ADP
bibechana-4923	116	29	esp	esp	ADJ
bibechana-4923	116	30	.	.	PUNCT
bibechana-4923	117	1	raman	raman	NOUN
bibechana-4923	117	2	and	and	CCONJ
bibechana-4923	117	3	infrared	infrared	ADJ
bibechana-4923	117	4	spectra	spectra	PROPN
bibechana-4923	117	5	were	be	AUX
bibechana-4923	117	6	recorded	record	VERB
bibechana-4923	117	7	,	,	PUNCT
bibechana-4923	117	8	and	and	CCONJ
bibechana-4923	117	9	the	the	DET
bibechana-4923	117	10	vibrational	vibrational	ADJ
bibechana-4923	117	11	bands	band	NOUN
bibechana-4923	117	12	were	be	AUX
bibechana-4923	117	13	assigned	assign	VERB
bibechana-4923	117	14	on	on	ADP
bibechana-4923	117	15	the	the	DET
bibechana-4923	117	16	basis	basis	NOUN
bibechana-4923	117	17	of	of	ADP
bibechana-4923	117	18	the	the	DET
bibechana-4923	117	19	ped	ped	NOUN
bibechana-4923	117	20	obtained	obtain	VERB
bibechana-4923	117	21	from	from	ADP
bibechana-4923	117	22	the	the	DET
bibechana-4923	117	23	dft	dft	PROPN
bibechana-4923	117	24	calculations	calculation	NOUN
bibechana-4923	117	25	.	.	PUNCT
bibechana-4923	118	1	acknowledgements	acknowledgement	NOUN
bibechana-4923	118	2	the	the	DET
bibechana-4923	118	3	authors	author	NOUN
bibechana-4923	118	4	are	be	AUX
bibechana-4923	118	5	grateful	grateful	ADJ
bibechana-4923	118	6	to	to	ADP
bibechana-4923	118	7	the	the	DET
bibechana-4923	118	8	university	university	NOUN
bibechana-4923	118	9	grants	grant	NOUN
bibechana-4923	118	10	commission	commission	PROPN
bibechana-4923	118	11	,	,	PUNCT
bibechana-4923	118	12	nepal	nepal	NOUN
bibechana-4923	118	13	and	and	CCONJ
bibechana-4923	118	14	,	,	PUNCT
bibechana-4923	118	15	alexander	alexander	PROPN
bibechana-4923	118	16	von	von	PROPN
bibechana-4923	118	17	humboltd	humboltd	PROPN
bibechana-4923	118	18	foundation	foundation	PROPN
bibechana-4923	118	19	,	,	PUNCT
bibechana-4923	118	20	germany	germany	PROPN
bibechana-4923	118	21	for	for	ADP
bibechana-4923	118	22	providing	provide	VERB
bibechana-4923	118	23	partial	partial	ADJ
bibechana-4923	118	24	financial	financial	ADJ
bibechana-4923	118	25	assistance	assistance	NOUN
bibechana-4923	118	26	.	.	PUNCT
bibechana-4923	119	1	references	reference	NOUN
bibechana-4923	119	2	[	[	X
bibechana-4923	119	3	1	1	NUM
bibechana-4923	119	4	]	]	X
bibechana-4923	119	5	a.e	a.e	PROPN
bibechana-4923	119	6	.	.	PROPN
bibechana-4923	119	7	el	el	PROPN
bibechana-4923	119	8	gindy	gindy	NOUN
bibechana-4923	119	9	,	,	PUNCT
bibechana-4923	119	10	m.	m.	NOUN
bibechana-4923	119	11	farouk	farouk	PROPN
bibechana-4923	119	12	,	,	PUNCT
bibechana-4923	119	13	l.	l.	PROPN
bibechana-4923	119	14	abd	abd	PROPN
bibechana-4923	119	15	el	el	PROPN
bibechana-4923	119	16	aziz	aziz	PROPN
bibechana-4923	119	17	and	and	CCONJ
bibechana-4923	119	18	e.s	e.s	PROPN
bibechana-4923	119	19	.	.	PROPN
bibechana-4923	119	20	shokry	shokry	PROPN
bibechana-4923	119	21	,	,	PUNCT
bibechana-4923	119	22	j.	j.	PROPN
bibechana-4923	119	23	appl	appl	PROPN
bibechana-4923	119	24	.	.	PUNCT
bibechana-4923	120	1	sciences	sciences	PROPN
bibechana-4923	120	2	research	research	VERB
bibechana-4923	120	3	5	5	NUM
bibechana-4923	120	4	(	(	PUNCT
bibechana-4923	120	5	2009	2009	NUM
bibechana-4923	120	6	)	)	PUNCT
bibechana-4923	120	7	693	693	NUM
bibechana-4923	120	8	.	.	PUNCT
bibechana-4923	121	1	[	[	X
bibechana-4923	121	2	2	2	NUM
bibechana-4923	121	3	]	]	X
bibechana-4923	121	4	g.	g.	PROPN
bibechana-4923	121	5	ambady	ambady	PROPN
bibechana-4923	121	6	and	and	CCONJ
bibechana-4923	121	7	g.	g.	PROPN
bibechana-4923	121	8	karth	karth	PROPN
bibechana-4923	121	9	,	,	PUNCT
bibechana-4923	122	1	j.	j.	PROPN
bibechana-4923	122	2	crist	crist	PROPN
bibechana-4923	122	3	.	.	PROPN
bibechana-4923	122	4	mol	mol	PROPN
bibechana-4923	122	5	.	.	PROPN
bibechana-4923	122	6	struct	struct	NOUN
bibechana-4923	122	7	.	.	PUNCT
bibechana-4923	123	1	3	3	NUM
bibechana-4923	123	2	(	(	PUNCT
bibechana-4923	123	3	1973	1973	NUM
bibechana-4923	123	4	)	)	PUNCT
bibechana-4923	123	5	37	37	NUM
bibechana-4923	123	6	.	.	PUNCT
bibechana-4923	124	1	[	[	X
bibechana-4923	124	2	3	3	X
bibechana-4923	124	3	]	]	PUNCT
bibechana-4923	124	4	ao	ao	PROPN
bibechana-4923	124	5	eweka	eweka	NOUN
bibechana-4923	124	6	,	,	PUNCT
bibechana-4923	124	7	fae	fae	NOUN
bibechana-4923	124	8	om’iniabohs	om’iniabohs	NOUN
bibechana-4923	124	9	and	and	CCONJ
bibechana-4923	124	10	o.	o.	PROPN
bibechana-4923	124	11	momodu	momodu	ADJ
bibechana-4923	124	12	,	,	PUNCT
bibechana-4923	124	13	biology	biology	NOUN
bibechana-4923	124	14	and	and	CCONJ
bibechana-4923	124	15	medicine	medicine	NOUN
bibechana-4923	124	16	2	2	NUM
bibechana-4923	124	17	(	(	PUNCT
bibechana-4923	124	18	2010	2010	NUM
bibechana-4923	124	19	)	)	PUNCT
bibechana-4923	124	20	30	30	NUM
bibechana-4923	124	21	.	.	PUNCT
bibechana-4923	125	1	[	[	X
bibechana-4923	125	2	4	4	X
bibechana-4923	125	3	]	]	PUNCT
bibechana-4923	125	4	s.	s.	PROPN
bibechana-4923	125	5	lal	lal	PROPN
bibechana-4923	125	6	,	,	PUNCT
bibechana-4923	125	7	j.x	j.x	PROPN
bibechana-4923	125	8	.	.	PROPN
bibechana-4923	125	9	thavundayil	thavundayil	PROPN
bibechana-4923	125	10	,	,	PUNCT
bibechana-4923	125	11	b.	b.	PROPN
bibechana-4923	125	12	krishnan	krishnan	PROPN
bibechana-4923	125	13	,	,	PUNCT
bibechana-4923	125	14	n.p.v	n.p.v	PROPN
bibechana-4923	125	15	.	.	PROPN
bibechana-4923	125	16	nair	nair	PROPN
bibechana-4923	125	17	,	,	PUNCT
bibechana-4923	125	18	g.	g.	PROPN
bibechana-4923	125	19	schwartz	schwartz	PROPN
bibechana-4923	125	20	and	and	CCONJ
bibechana-4923	125	21	h.	h.	PROPN
bibechana-4923	125	22	guyda	guyda	PROPN
bibechana-4923	125	23	,	,	PUNCT
bibechana-4923	125	24	j.	j.	PROPN
bibechana-4923	125	25	physchiatry	physchiatry	PROPN
bibechana-4923	125	26	neurosci	neurosci	PROPN
bibechana-4923	125	27	.	.	PUNCT
bibechana-4923	126	1	21	21	NUM
bibechana-4923	126	2	(	(	PUNCT
bibechana-4923	126	3	1996	1996	NUM
bibechana-4923	126	4	)	)	PUNCT
bibechana-4923	126	5	96	96	NUM
bibechana-4923	126	6	.	.	PUNCT
bibechana-4923	127	1	[	[	X
bibechana-4923	127	2	5	5	NUM
bibechana-4923	127	3	]	]	X
bibechana-4923	127	4	m.r	m.r	PROPN
bibechana-4923	127	5	.	.	PROPN
bibechana-4923	127	6	goldberg	goldberg	PROPN
bibechana-4923	127	7	and	and	CCONJ
bibechana-4923	127	8	d.	d.	PROPN
bibechana-4923	127	9	robertson	robertson	PROPN
bibechana-4923	127	10	,	,	PUNCT
bibechana-4923	127	11	pharmcol	pharmcol	PROPN
bibechana-4923	127	12	rev	rev	VERB
bibechana-4923	127	13	.	.	PROPN
bibechana-4923	127	14	35	35	NUM
bibechana-4923	127	15	(	(	PUNCT
bibechana-4923	127	16	1983	1983	NUM
bibechana-4923	127	17	)	)	PUNCT
bibechana-4923	127	18	143	143	NUM
bibechana-4923	127	19	.	.	PUNCT
bibechana-4923	128	1	[	[	X
bibechana-4923	128	2	6	6	NUM
bibechana-4923	128	3	]	]	X
bibechana-4923	128	4	r.m	r.m	PROPN
bibechana-4923	128	5	.	.	PROPN
bibechana-4923	128	6	quinton	quinton	PROPN
bibechana-4923	128	7	,	,	PUNCT
bibechana-4923	128	8	brit	brit	PROPN
bibechana-4923	128	9	.	.	PUNCT
bibechana-4923	129	1	j.	j.	PROPN
bibechana-4923	129	2	pharmacol	pharmacol	PROPN
bibechana-4923	129	3	.	.	PROPN
bibechana-4923	130	1	21	21	NUM
bibechana-4923	130	2	(	(	PUNCT
bibechana-4923	130	3	1963	1963	NUM
bibechana-4923	130	4	)	)	PUNCT
bibechana-4923	130	5	51	51	NUM
bibechana-4923	130	6	.	.	PUNCT
bibechana-4923	131	1	[	[	X
bibechana-4923	131	2	7	7	X
bibechana-4923	131	3	]	]	PUNCT
bibechana-4923	131	4	j.	j.	PROPN
bibechana-4923	131	5	s.	s.	PROPN
bibechana-4923	131	6	james	james	PROPN
bibechana-4923	131	7	,	,	PUNCT
bibechana-4923	131	8	aids	aid	VERB
bibechana-4923	131	9	treatment	treatment	NOUN
bibechana-4923	131	10	news	news	NOUN
bibechana-4923	131	11	,	,	PUNCT
bibechana-4923	131	12	18	18	NUM
bibechana-4923	131	13	september	september	PROPN
bibechana-4923	131	14	1992	1992	NUM
bibechana-4923	131	15	.	.	PUNCT
bibechana-4923	132	1	[	[	X
bibechana-4923	132	2	8	8	NUM
bibechana-4923	132	3	]	]	SYM
bibechana-4923	132	4	j.tank	j.tank	NOUN
bibechana-4923	132	5	,	,	PUNCT
bibechana-4923	132	6	k.	k.	PROPN
bibechana-4923	132	7	heusser	heusser	PROPN
bibechana-4923	132	8	,	,	PUNCT
bibechana-4923	132	9	a.	a.	NOUN
bibechana-4923	132	10	diedrich	diedrich	PROPN
bibechana-4923	132	11	,	,	PUNCT
bibechana-4923	132	12	et	et	PROPN
bibechana-4923	132	13	al	al	PROPN
bibechana-4923	132	14	.	.	PROPN
bibechana-4923	132	15	yohimbine	yohimbine	PROPN
bibechana-4923	132	16	attenuates	attenuate	NOUN
bibechana-4923	132	17	baroreflex	baroreflex	NOUN
bibechana-4923	132	18	mediated	mediate	VERB
bibechana-4923	132	19	bradycardia	bradycardia	NOUN
bibechana-4923	132	20	in	in	ADP
bibechana-4923	132	21	human	human	NOUN
bibechana-4923	132	22	.	.	PUNCT
bibechana-4923	133	1	hypertension	hypertension	NOUN
bibechana-4923	133	2	.	.	PUNCT
bibechana-4923	134	1	nov	nov	PROPN
bibechana-4923	134	2	,	,	PUNCT
bibechana-4923	134	3	50	50	NUM
bibechana-4923	134	4	(	(	PUNCT
bibechana-4923	134	5	2007)899	2007)899	PROPN
bibechana-4923	134	6	.	.	PUNCT
bibechana-4923	134	7	epub	epub	PROPN
bibechana-4923	134	8	.	.	PUNCT
bibechana-4923	135	1	sept	sept	PROPN
bibechana-4923	135	2	.	.	PROPN
bibechana-4923	135	3	17	17	NUM
bibechana-4923	135	4	,	,	PUNCT
bibechana-4923	135	5	2007	2007	NUM
bibechana-4923	135	6	.	.	PUNCT
bibechana-4923	136	1	[	[	X
bibechana-4923	136	2	9	9	NUM
bibechana-4923	136	3	]	]	SYM
bibechana-4923	136	4	crupi	crupi	NOUN
bibechana-4923	136	5	,	,	PUNCT
bibechana-4923	136	6	d.	d.	PROPN
bibechana-4923	136	7	majolino	majolino	PROPN
bibechana-4923	136	8	,	,	PUNCT
bibechana-4923	136	9	m.r	m.r	PROPN
bibechana-4923	136	10	.	.	PROPN
bibechana-4923	136	11	mondello	mondello	PROPN
bibechana-4923	136	12	,	,	PUNCT
bibechana-4923	136	13	p.	p.	NOUN
bibechana-4923	136	14	migliardo	migliardo	PROPN
bibechana-4923	136	15	,	,	PUNCT
bibechana-4923	136	16	and	and	CCONJ
bibechana-4923	136	17	v.	v.	ADP
bibechana-4923	136	18	venuti	venuti	PROPN
bibechana-4923	136	19	,	,	PUNCT
bibechana-4923	136	20	j.	j.	PROPN
bibechana-4923	136	21	pharm	pharm	PROPN
bibechana-4923	136	22	.	.	PUNCT
bibechana-4923	136	23	biomed	biome	VERB
bibechana-4923	136	24	.	.	PUNCT
bibechana-4923	137	1	anal	anal	ADJ
bibechana-4923	137	2	.	.	PUNCT
bibechana-4923	138	1	29	29	NUM
bibechana-4923	138	2	(	(	PUNCT
bibechana-4923	138	3	2002	2002	NUM
bibechana-4923	138	4	)	)	PUNCT
bibechana-4923	138	5	1149	1149	NUM
bibechana-4923	138	6	.	.	PUNCT
bibechana-4923	139	1	[	[	X
bibechana-4923	139	2	10	10	NUM
bibechana-4923	139	3	]	]	X
bibechana-4923	139	4	g.	g.	PROPN
bibechana-4923	139	5	fini	fini	PROPN
bibechana-4923	139	6	,	,	PUNCT
bibechana-4923	139	7	j.	j.	PROPN
bibechana-4923	139	8	raman	raman	PROPN
bibechana-4923	139	9	spectroscopy	spectroscopy	NOUN
bibechana-4923	139	10	.	.	PUNCT
bibechana-4923	140	1	35	35	NUM
bibechana-4923	140	2	(	(	PUNCT
bibechana-4923	140	3	2004	2004	NUM
bibechana-4923	140	4	)	)	PUNCT
bibechana-4923	140	5	335	335	NUM
bibechana-4923	140	6	.	.	PUNCT
bibechana-4923	141	1	[	[	X
bibechana-4923	141	2	11	11	NUM
bibechana-4923	141	3	]	]	PUNCT
bibechana-4923	141	4	k.	k.	PROPN
bibechana-4923	141	5	warnat	warnat	PROPN
bibechana-4923	141	6	,	,	PUNCT
bibechana-4923	141	7	ber	ber	PROPN
bibechana-4923	141	8	.	.	PUNCT
bibechana-4923	142	1	(	(	PUNCT
bibechana-4923	142	2	1930	1930	NUM
bibechana-4923	142	3	)	)	PUNCT
bibechana-4923	142	4	2959	2959	NUM
bibechana-4923	142	5	.	.	PUNCT
bibechana-4923	143	1	[	[	X
bibechana-4923	143	2	12	12	NUM
bibechana-4923	143	3	]	]	X
bibechana-4923	143	4	g.a	g.a	PROPN
bibechana-4923	143	5	.	.	PROPN
bibechana-4923	143	6	swan	swan	PROPN
bibechana-4923	143	7	,	,	PUNCT
bibechana-4923	143	8	j	j	PROPN
bibechana-4923	143	9	chem	chem	NOUN
bibechana-4923	143	10	.	.	PUNCT
bibechana-4923	144	1	soc	soc	PROPN
bibechana-4923	144	2	.	.	PUNCT
bibechana-4923	145	1	(	(	PUNCT
bibechana-4923	145	2	1950	1950	NUM
bibechana-4923	145	3	)	)	PUNCT
bibechana-4923	145	4	1534	1534	NUM
bibechana-4923	145	5	.	.	PUNCT
bibechana-4923	146	1	bhawani	bhawani	PROPN
bibechana-4923	146	2	datt	datt	PROPN
bibechana-4923	146	3	joshi	joshi	PROPN
bibechana-4923	146	4	et	et	PROPN
bibechana-4923	146	5	al./	al./	ADV
bibechana-4923	146	6	bibechana	bibechana	PROPN
bibechana-4923	146	7	8	8	NUM
bibechana-4923	146	8	(	(	PUNCT
bibechana-4923	146	9	2012	2012	NUM
bibechana-4923	146	10	)	)	PUNCT
bibechana-4923	146	11	73	73	NUM
bibechana-4923	146	12	-	-	SYM
bibechana-4923	146	13	80	80	NUM
bibechana-4923	146	14	:	:	PUNCT
bibechana-4923	146	15	bmhss	bmhss	PROPN
bibechana-4923	146	16	,	,	PUNCT
bibechana-4923	146	17	p.80	p.80	X
bibechana-4923	146	18	[	[	X
bibechana-4923	146	19	13	13	NUM
bibechana-4923	146	20	]	]	X
bibechana-4923	146	21	m.j	m.j	PROPN
bibechana-4923	146	22	.	.	PROPN
bibechana-4923	146	23	frisch	frisch	PROPN
bibechana-4923	146	24	,	,	PUNCT
bibechana-4923	146	25	g.w	g.w	PROPN
bibechana-4923	146	26	.	.	PROPN
bibechana-4923	146	27	trucks	trucks	PROPN
bibechana-4923	146	28	,	,	PUNCT
bibechana-4923	146	29	h.b	h.b	PROPN
bibechana-4923	146	30	.	.	PROPN
bibechana-4923	146	31	schlegel	schlegel	PROPN
bibechana-4923	146	32	.	.	PUNCT
bibechana-4923	147	1	g.e	g.e	PROPN
bibechana-4923	147	2	.	.	PROPN
bibechana-4923	147	3	scuseria	scuseria	PROPN
bibechana-4923	147	4	,	,	PUNCT
bibechana-4923	147	5	j.r	j.r	PROPN
bibechana-4923	147	6	.	.	PROPN
bibechana-4923	147	7	cheeseman	cheeseman	PROPN
bibechana-4923	147	8	,	,	PUNCT
bibechana-4923	147	9	m.a	m.a	PROPN
bibechana-4923	147	10	.	.	PROPN
bibechana-4923	147	11	robb	robb	PROPN
bibechana-4923	147	12	,	,	PUNCT
bibechana-4923	147	13	g.	g.	PROPN
bibechana-4923	147	14	scalmani	scalmani	PROPN
bibechana-4923	147	15	,	,	PUNCT
bibechana-4923	147	16	v.	v.	PROPN
bibechana-4923	147	17	barone	barone	PROPN
bibechana-4923	147	18	,	,	PUNCT
bibechana-4923	147	19	b.	b.	PROPN
bibechana-4923	147	20	mennucci	mennucci	PROPN
bibechana-4923	147	21	,	,	PUNCT
bibechana-4923	147	22	g.a	g.a	PROPN
bibechana-4923	147	23	.	.	PROPN
bibechana-4923	147	24	petersson	petersson	PROPN
bibechana-4923	147	25	,	,	PUNCT
bibechana-4923	147	26	h.	h.	PROPN
bibechana-4923	147	27	nakatsuji	nakatsuji	PROPN
bibechana-4923	147	28	,	,	PUNCT
bibechana-4923	147	29	m.	m.	NOUN
bibechana-4923	147	30	caricato	caricato	PROPN
bibechana-4923	147	31	,	,	PUNCT
bibechana-4923	147	32	x.	x.	PROPN
bibechana-4923	147	33	li	li	PROPN
bibechana-4923	147	34	,	,	PUNCT
bibechana-4923	147	35	h.p	h.p	PROPN
bibechana-4923	147	36	.	.	PROPN
bibechana-4923	147	37	hratchian	hratchian	PROPN
bibechana-4923	147	38	,	,	PUNCT
bibechana-4923	147	39	a.f	a.f	PROPN
bibechana-4923	147	40	.	.	PROPN
bibechana-4923	147	41	izmzylov	izmzylov	PROPN
bibechana-4923	147	42	,	,	PUNCT
bibechana-4923	147	43	j.	j.	PROPN
bibechana-4923	147	44	bloino	bloino	PROPN
bibechana-4923	147	45	,	,	PUNCT
bibechana-4923	147	46	g.	g.	PROPN
bibechana-4923	147	47	zheng	zheng	PROPN
bibechana-4923	147	48	,	,	PUNCT
bibechana-4923	147	49	j.l	j.l	PROPN
bibechana-4923	147	50	.	.	PROPN
bibechana-4923	147	51	sonnenberg	sonnenberg	PROPN
bibechana-4923	147	52	,	,	PUNCT
bibechana-4923	147	53	m.	m.	PROPN
bibechana-4923	147	54	hada	hada	PROPN
bibechana-4923	147	55	,	,	PUNCT
bibechana-4923	147	56	m.	m.	NOUN
bibechana-4923	147	57	ehara	ehara	PROPN
bibechana-4923	147	58	,	,	PUNCT
bibechana-4923	147	59	k.	k.	PROPN
bibechana-4923	147	60	toyota	toyota	PROPN
bibechana-4923	147	61	,	,	PUNCT
bibechana-4923	147	62	r.	r.	PROPN
bibechana-4923	147	63	fukuda	fukuda	PROPN
bibechana-4923	147	64	,	,	PUNCT
bibechana-4923	147	65	j.	j.	PROPN
bibechana-4923	147	66	ishida	ishida	PROPN
bibechana-4923	147	67	,	,	PUNCT
bibechana-4923	147	68	m.	m.	PROPN
bibechana-4923	147	69	hasegawa	hasegawa	PROPN
bibechana-4923	147	70	,	,	PUNCT
bibechana-4923	147	71	t.	t.	PROPN
bibechana-4923	147	72	nakajima	nakajima	PROPN
bibechana-4923	147	73	,	,	PUNCT
bibechana-4923	147	74	y.	y.	PROPN
bibechana-4923	147	75	honda	honda	PROPN
bibechana-4923	147	76	,	,	PUNCT
bibechana-4923	147	77	o.	o.	PROPN
bibechana-4923	147	78	kitao	kitao	PROPN
bibechana-4923	147	79	,	,	PUNCT
bibechana-4923	147	80	h.	h.	PROPN
bibechana-4923	147	81	nakai	nakai	PROPN
bibechana-4923	147	82	,	,	PUNCT
bibechana-4923	147	83	t.	t.	PROPN
bibechana-4923	147	84	vreven	vreven	PROPN
bibechana-4923	147	85	,	,	PUNCT
bibechana-4923	147	86	j.a	j.a	PROPN
bibechana-4923	147	87	.	.	PROPN
bibechana-4923	147	88	montgomery	montgomery	PROPN
bibechana-4923	147	89	,	,	PUNCT
bibechana-4923	147	90	jr	jr	PROPN
bibechana-4923	147	91	.	.	PROPN
bibechana-4923	147	92	,	,	PUNCT
bibechana-4923	147	93	j.e	j.e	PROPN
bibechana-4923	147	94	.	.	PROPN
bibechana-4923	147	95	peralta	peralta	PROPN
bibechana-4923	147	96	,	,	PUNCT
bibechana-4923	147	97	f.	f.	PROPN
bibechana-4923	147	98	ogliaro	ogliaro	PROPN
bibechana-4923	147	99	,	,	PUNCT
bibechana-4923	147	100	m.	m.	NOUN
bibechana-4923	147	101	bearpark	bearpark	PROPN
bibechana-4923	147	102	,	,	PUNCT
bibechana-4923	147	103	j.j	j.j	PROPN
bibechana-4923	147	104	.	.	PROPN
bibechana-4923	147	105	heyd	heyd	PROPN
bibechana-4923	147	106	,	,	PUNCT
bibechana-4923	147	107	e.	e.	PROPN
bibechana-4923	147	108	brothers	brothers	PROPN
bibechana-4923	147	109	,	,	PUNCT
bibechana-4923	147	110	k.n	k.n	PROPN
bibechana-4923	147	111	.	.	PROPN
bibechana-4923	147	112	kudin	kudin	PROPN
bibechana-4923	147	113	,	,	PUNCT
bibechana-4923	147	114	v.n	v.n	PROPN
bibechana-4923	147	115	.	.	PROPN
bibechana-4923	147	116	staroverov	staroverov	PROPN
bibechana-4923	147	117	,	,	PUNCT
bibechana-4923	147	118	r.	r.	PROPN
bibechana-4923	147	119	kobayashi	kobayashi	PROPN
bibechana-4923	147	120	,	,	PUNCT
bibechana-4923	147	121	j.	j.	PROPN
bibechana-4923	147	122	normand	normand	PROPN
bibechana-4923	147	123	,	,	PUNCT
bibechana-4923	147	124	a.	a.	NOUN
bibechana-4923	147	125	raghavachari	raghavachari	PROPN
bibechana-4923	147	126	,	,	PUNCT
bibechana-4923	147	127	a.	a.	NOUN
bibechana-4923	147	128	rendell	rendell	PROPN
bibechana-4923	147	129	,	,	PUNCT
bibechana-4923	147	130	j.c	j.c	PROPN
bibechana-4923	147	131	.	.	PROPN
bibechana-4923	147	132	burant	burant	PROPN
bibechana-4923	147	133	,	,	PUNCT
bibechana-4923	147	134	s.s	s.s	PROPN
bibechana-4923	147	135	.	.	PROPN
bibechana-4923	147	136	iyengar	iyengar	PROPN
bibechana-4923	147	137	,	,	PUNCT
bibechana-4923	147	138	j.	j.	PROPN
bibechana-4923	147	139	tomasi	tomasi	PROPN
bibechana-4923	147	140	,	,	PUNCT
bibechana-4923	147	141	m.	m.	NOUN
bibechana-4923	147	142	cossi	cossi	PROPN
bibechana-4923	147	143	,	,	PUNCT
bibechana-4923	147	144	n.	n.	PROPN
bibechana-4923	147	145	rega	rega	PROPN
bibechana-4923	147	146	,	,	PUNCT
bibechana-4923	147	147	j.m	j.m	PROPN
bibechana-4923	147	148	.	.	PROPN
bibechana-4923	147	149	m	m	PROPN
bibechana-4923	147	150	illan	illan	NOUN
bibechana-4923	147	151	,	,	PUNCT
bibechana-4923	147	152	m.	m.	NOUN
bibechana-4923	147	153	klene	klene	PROPN
bibechana-4923	147	154	,	,	PUNCT
bibechana-4923	147	155	j.e	j.e	PROPN
bibechana-4923	147	156	.	.	PROPN
bibechana-4923	147	157	knox	knox	PROPN
bibechana-4923	147	158	,	,	PUNCT
bibechana-4923	147	159	j.b	j.b	PROPN
bibechana-4923	147	160	.	.	PROPN
bibechana-4923	147	161	cross	cross	PROPN
bibechana-4923	147	162	,	,	PUNCT
bibechana-4923	147	163	v.	v.	PROPN
bibechana-4923	147	164	bakken	bakken	PROPN
bibechana-4923	147	165	,	,	PUNCT
bibechana-4923	147	166	c.	c.	PROPN
bibechana-4923	147	167	adamo	adamo	PROPN
bibechana-4923	147	168	,	,	PUNCT
bibechana-4923	147	169	j.	j.	PROPN
bibechana-4923	147	170	jaramillo	jaramillo	PROPN
bibechana-4923	147	171	,	,	PUNCT
bibechana-4923	147	172	r.	r.	PROPN
bibechana-4923	147	173	gomperts	gomperts	PROPN
bibechana-4923	147	174	,	,	PUNCT
bibechana-4923	147	175	r.e	r.e	PROPN
bibechana-4923	147	176	.	.	PROPN
bibechana-4923	147	177	stratmann	stratmann	PROPN
bibechana-4923	147	178	,	,	PUNCT
bibechana-4923	147	179	o.	o.	PROPN
bibechana-4923	147	180	yazyev	yazyev	PROPN
bibechana-4923	147	181	,	,	PUNCT
bibechana-4923	147	182	a.j	a.j	PROPN
bibechana-4923	147	183	.	.	PROPN
bibechana-4923	147	184	austin	austin	PROPN
bibechana-4923	147	185	,	,	PUNCT
bibechana-4923	147	186	r.	r.	PROPN
bibechana-4923	147	187	cammi	cammi	PROPN
bibechana-4923	147	188	,	,	PUNCT
bibechana-4923	147	189	c.	c.	PROPN
bibechana-4923	147	190	pomelli	pomelli	PROPN
bibechana-4923	147	191	,	,	PUNCT
bibechana-4923	147	192	j.w	j.w	PROPN
bibechana-4923	147	193	.	.	PROPN
bibechana-4923	147	194	ochterski	ochterski	PROPN
bibechana-4923	147	195	,	,	PUNCT
bibechana-4923	147	196	r.l	r.l	PROPN
bibechana-4923	147	197	.	.	PROPN
bibechana-4923	147	198	martin	martin	PROPN
bibechana-4923	147	199	,	,	PUNCT
bibechana-4923	147	200	k.	k.	PROPN
bibechana-4923	147	201	morokuma	morokuma	PROPN
bibechana-4923	147	202	,	,	PUNCT
bibechana-4923	147	203	v.g	v.g	PROPN
bibechana-4923	147	204	.	.	PROPN
bibechana-4923	147	205	zakrzewski	zakrzewski	PROPN
bibechana-4923	147	206	,	,	PUNCT
bibechana-4923	147	207	g.a	g.a	PROPN
bibechana-4923	147	208	.	.	PROPN
bibechana-4923	147	209	voth	voth	PROPN
bibechana-4923	147	210	,	,	PUNCT
bibechana-4923	147	211	p.	p.	PROPN
bibechana-4923	147	212	salvador	salvador	PROPN
bibechana-4923	147	213	,	,	PUNCT
bibechana-4923	147	214	j.j	j.j	PROPN
bibechana-4923	147	215	.	.	PROPN
bibechana-4923	147	216	dannerberg	dannerberg	PROPN
bibechana-4923	147	217	,	,	PUNCT
bibechana-4923	147	218	s.	s.	PROPN
bibechana-4923	147	219	dapprich	dapprich	PROPN
bibechana-4923	147	220	,	,	PUNCT
bibechana-4923	147	221	a.d	a.d	PROPN
bibechana-4923	147	222	.	.	PROPN
bibechana-4923	147	223	daniels	daniels	PROPN
bibechana-4923	147	224	,	,	PUNCT
bibechana-4923	147	225	j.	j.	PROPN
bibechana-4923	147	226	farkas	farkas	PROPN
bibechana-4923	147	227	,	,	PUNCT
bibechana-4923	147	228	b.	b.	PROPN
bibechana-4923	147	229	foresman	foresman	PROPN
bibechana-4923	147	230	,	,	PUNCT
bibechana-4923	147	231	j.v	j.v	PROPN
bibechana-4923	147	232	.	.	PROPN
bibechana-4923	147	233	ortiz	ortiz	PROPN
bibechana-4923	147	234	,	,	PUNCT
bibechana-4923	147	235	j.	j.	PROPN
bibechana-4923	147	236	cioslowski	cioslowski	PROPN
bibechana-4923	147	237	.	.	PUNCT
bibechana-4923	148	1	d.j	d.j	PROPN
bibechana-4923	148	2	.	.	PROPN
bibechana-4923	148	3	fox	fox	PROPN
bibechana-4923	148	4	,	,	PUNCT
bibechana-4923	148	5	gaussian	gaussian	ADJ
bibechana-4923	148	6	09	09	NUM
bibechana-4923	148	7	,	,	PUNCT
bibechana-4923	148	8	revision	revision	NOUN
bibechana-4923	148	9	,	,	PUNCT
bibechana-4923	148	10	(	(	PUNCT
bibechana-4923	148	11	gaussian	gaussian	PROPN
bibechana-4923	148	12	,	,	PUNCT
bibechana-4923	148	13	inc	inc	PROPN
bibechana-4923	148	14	.	.	PROPN
bibechana-4923	148	15	,	,	PUNCT
bibechana-4923	148	16	wallingford	wallingford	PROPN
bibechana-4923	148	17	ct	ct	PROPN
bibechana-4923	148	18	,	,	PUNCT
bibechana-4923	148	19	2009	2009	NUM
bibechana-4923	148	20	)	)	PUNCT
bibechana-4923	148	21	.	.	PUNCT
bibechana-4923	149	1	[	[	X
bibechana-4923	149	2	14	14	NUM
bibechana-4923	149	3	]	]	X
bibechana-4923	149	4	c.t	c.t	PROPN
bibechana-4923	149	5	.	.	PROPN
bibechana-4923	149	6	lee	lee	PROPN
bibechana-4923	149	7	,	,	PUNCT
bibechana-4923	149	8	w.t	w.t	PROPN
bibechana-4923	149	9	.	.	PROPN
bibechana-4923	149	10	yang	yang	PROPN
bibechana-4923	149	11	and	and	CCONJ
bibechana-4923	149	12	r.	r.	PROPN
bibechana-4923	149	13	g.	g.	PROPN
bibechana-4923	149	14	parr	parr	PROPN
bibechana-4923	149	15	,	,	PUNCT
bibechana-4923	149	16	phys	phy	NOUN
bibechana-4923	149	17	.	.	PUNCT
bibechana-4923	150	1	rev	rev	PROPN
bibechana-4923	150	2	.	.	PROPN
bibechana-4923	151	1	b	b	PROPN
bibechana-4923	151	2	37	37	NUM
bibechana-4923	151	3	(	(	PUNCT
bibechana-4923	151	4	1998	1998	NUM
bibechana-4923	151	5	)	)	PUNCT
bibechana-4923	151	6	785	785	NUM
bibechana-4923	151	7	.	.	PUNCT
bibechana-4923	152	1	[	[	X
bibechana-4923	152	2	15	15	NUM
bibechana-4923	152	3	]	]	X
bibechana-4923	152	4	p.	p.	NOUN
bibechana-4923	152	5	pulay	pulay	NOUN
bibechana-4923	152	6	,	,	PUNCT
bibechana-4923	152	7	g.	g.	PROPN
bibechana-4923	152	8	fogarasi	fogarasi	PROPN
bibechana-4923	152	9	,	,	PUNCT
bibechana-4923	152	10	f.	f.	PROPN
bibechana-4923	152	11	pang	pang	PROPN
bibechana-4923	152	12	and	and	CCONJ
bibechana-4923	152	13	j.e	j.e	PROPN
bibechana-4923	152	14	.	.	PROPN
bibechana-4923	152	15	boggs	boggs	PROPN
bibechana-4923	152	16	,	,	PUNCT
bibechana-4923	152	17	j.	j.	PROPN
bibechana-4923	152	18	am	am	PROPN
bibechana-4923	152	19	.	.	PUNCT
bibechana-4923	153	1	chem	chem	NOUN
bibechana-4923	153	2	.	.	PUNCT
bibechana-4923	154	1	soc	soc	PROPN
bibechana-4923	154	2	.	.	PUNCT
bibechana-4923	155	1	101	101	NUM
bibechana-4923	155	2	(	(	PUNCT
bibechana-4923	155	3	1979	1979	NUM
bibechana-4923	155	4	)	)	PUNCT
bibechana-4923	155	5	2550	2550	NUM
bibechana-4923	155	6	.	.	PUNCT
bibechana-4923	156	1	[	[	X
bibechana-4923	156	2	16	16	NUM
bibechana-4923	156	3	]	]	X
bibechana-4923	156	4	m.l	m.l	PROPN
bibechana-4923	156	5	.	.	PROPN
bibechana-4923	156	6	martin	martin	PROPN
bibechana-4923	156	7	and	and	CCONJ
bibechana-4923	156	8	c	c	PROPN
bibechana-4923	156	9	van	van	PROPN
bibechana-4923	156	10	aslenoy	aslenoy	PROPN
bibechana-4923	156	11	,	,	PUNCT
bibechana-4923	156	12	gar2ped	gar2ped	PROPN
bibechana-4923	156	13	.	.	PUNCT
bibechana-4923	156	14	university	university	PROPN
bibechana-4923	156	15	of	of	ADP
bibechana-4923	156	16	antwerp	antwerp	PROPN
bibechana-4923	156	17	.	.	PUNCT
bibechana-4923	157	1	1995	1995	NUM
bibechana-4923	157	2	.	.	PUNCT
bibechana-4923	158	1	[	[	X
bibechana-4923	158	2	17	17	NUM
bibechana-4923	158	3	]	]	X
bibechana-4923	158	4	e.	e.	PROPN
bibechana-4923	158	5	scrocco	scrocco	PROPN
bibechana-4923	158	6	and	and	CCONJ
bibechana-4923	158	7	j.	j.	PROPN
bibechana-4923	158	8	tomasi	tomasi	PROPN
bibechana-4923	158	9	,	,	PUNCT
bibechana-4923	158	10	adv	adv	PROPN
bibechana-4923	158	11	.	.	PUNCT
bibechana-4923	158	12	quantum	quantum	PROPN
bibechana-4923	158	13	chem	chem	NOUN
bibechana-4923	158	14	.	.	PUNCT
bibechana-4923	158	15	,	,	PUNCT
bibechana-4923	158	16	11	11	NUM
bibechana-4923	158	17	(	(	PUNCT
bibechana-4923	158	18	1978	1978	NUM
bibechana-4923	158	19	)	)	PUNCT
bibechana-4923	158	20	115	115	NUM
bibechana-4923	158	21	.	.	PUNCT
bibechana-4923	159	1	[	[	X
bibechana-4923	159	2	18	18	NUM
bibechana-4923	159	3	]	]	PUNCT
bibechana-4923	159	4	t.	t.	PROPN
bibechana-4923	159	5	ashida	ashida	PROPN
bibechana-4923	159	6	,	,	PUNCT
bibechana-4923	159	7	r.	r.	PROPN
bibechana-4923	159	8	repinsky	repinsky	PROPN
bibechana-4923	159	9	and	and	CCONJ
bibechana-4923	159	10	y.	y.	PROPN
bibechana-4923	159	11	okaya	okaya	PROPN
bibechana-4923	159	12	,	,	PUNCT
bibechana-4923	159	13	acta	acta	PROPN
bibechana-4923	159	14	cryst	cryst	PROPN
bibechana-4923	159	15	.	.	PUNCT
bibechana-4923	160	1	a.16	a.16	PROPN
bibechana-4923	160	2	(	(	PUNCT
bibechana-4923	160	3	1963	1963	NUM
bibechana-4923	160	4	)	)	PUNCT
bibechana-4923	160	5	48	48	NUM
bibechana-4923	160	6	.	.	PUNCT
bibechana-4923	161	1	[	[	X
bibechana-4923	161	2	19	19	NUM
bibechana-4923	161	3	]	]	X
bibechana-4923	161	4	c.	c.	PROPN
bibechana-4923	161	5	muñoz	muñoz	PROPN
bibechana-4923	161	6	-	-	PUNCT
bibechana-4923	161	7	caro	caro	PROPN
bibechana-4923	161	8	,	,	PUNCT
bibechana-4923	161	9	a.	a.	PROPN
bibechana-4923	161	10	niño	niño	PROPN
bibechana-4923	161	11	,	,	PUNCT
bibechana-4923	161	12	m.l	m.l	PROPN
bibechana-4923	161	13	.	.	PROPN
bibechana-4923	161	14	sement	sement	PROPN
bibechana-4923	161	15	,	,	PUNCT
bibechana-4923	161	16	j.m	j.m	PROPN
bibechana-4923	161	17	.	.	PROPN
bibechana-4923	161	18	leal	leal	PROPN
bibechana-4923	161	19	and	and	CCONJ
bibechana-4923	161	20	s.	s.	PROPN
bibechana-4923	161	21	ibeas	ibeas	PROPN
bibechana-4923	161	22	,	,	PUNCT
bibechana-4923	161	23	j.	j.	PROPN
bibechana-4923	161	24	org	org	PROPN
bibechana-4923	161	25	.	.	PUNCT
bibechana-4923	161	26	chem	chem	PROPN
bibechana-4923	161	27	.	.	PUNCT
bibechana-4923	162	1	65	65	NUM
bibechana-4923	162	2	(	(	PUNCT
bibechana-4923	162	3	2000	2000	NUM
bibechana-4923	162	4	)	)	PUNCT
bibechana-4923	162	5	405	405	NUM
bibechana-4923	162	6	.	.	PUNCT
bibechana-4923	163	1	[	[	X
bibechana-4923	163	2	20	20	NUM
bibechana-4923	163	3	]	]	PUNCT
bibechana-4923	163	4	h.	h.	PROPN
bibechana-4923	163	5	yoshida	yoshida	PROPN
bibechana-4923	163	6	,	,	PUNCT
bibechana-4923	163	7	k.	k.	PROPN
bibechana-4923	163	8	takeda	takeda	PROPN
bibechana-4923	163	9	,	,	PUNCT
bibechana-4923	163	10	j.	j.	PROPN
bibechana-4923	163	11	okamura	okamura	PROPN
bibechana-4923	163	12	,	,	PUNCT
bibechana-4923	163	13	a.	a.	NOUN
bibechana-4923	163	14	ehara	ehara	PROPN
bibechana-4923	163	15	,	,	PUNCT
bibechana-4923	163	16	and	and	CCONJ
bibechana-4923	163	17	h.	h.	PROPN
bibechana-4923	163	18	matsurra	matsurra	PROPN
bibechana-4923	163	19	,	,	PUNCT
bibechana-4923	163	20	j.	j.	PROPN
bibechana-4923	163	21	phys	phys	PROPN
bibechana-4923	163	22	.	.	PUNCT
bibechana-4923	164	1	chem	chem	PROPN
bibechana-4923	164	2	.	.	PUNCT
bibechana-4923	165	1	a	a	DET
bibechana-4923	165	2	106	106	NUM
bibechana-4923	165	3	(	(	PUNCT
bibechana-4923	165	4	2002	2002	NUM
bibechana-4923	165	5	)	)	PUNCT
bibechana-4923	165	6	3580	3580	NUM
bibechana-4923	165	7	.	.	PUNCT
bibechana-4923	166	1	[	[	X
bibechana-4923	166	2	21	21	NUM
bibechana-4923	166	3	]	]	X
bibechana-4923	166	4	a.p	a.p	PROPN
bibechana-4923	166	5	.	.	PROPN
bibechana-4923	166	6	scott	scott	PROPN
bibechana-4923	166	7	and	and	CCONJ
bibechana-4923	166	8	l.	l.	PROPN
bibechana-4923	166	9	radom	radom	PROPN
bibechana-4923	166	10	,	,	PUNCT
bibechana-4923	166	11	j.	j.	PROPN
bibechana-4923	166	12	phys	phys	PROPN
bibechana-4923	166	13	.	.	PUNCT
bibechana-4923	167	1	chem	chem	PROPN
bibechana-4923	167	2	.	.	PUNCT
bibechana-4923	168	1	100	100	NUM
bibechana-4923	168	2	(	(	PUNCT
bibechana-4923	168	3	1996	1996	NUM
bibechana-4923	168	4	)	)	PUNCT
bibechana-4923	168	5	16502	16502	NUM
bibechana-4923	168	6	.	.	PUNCT