id	sid	tid	token	lemma	pos
bibechana-18385	1	1	microsoft	microsoft	PROPN
bibechana-18385	1	2	word	word	PROPN
bibechana-18385	1	3	joshi(113	joshi(113	PROPN
bibechana-18385	1	4	-	-	PUNCT
bibechana-18385	1	5	121	121	NUM
bibechana-18385	1	6	)	)	PUNCT
bibechana-18385	1	7	bhawani	bhawani	PROPN
bibechana-18385	1	8	d.	d.	PROPN
bibechana-18385	1	9	joshi	joshi	PROPN
bibechana-18385	1	10	,	,	PUNCT
bibechana-18385	1	11	manoj	manoj	PROPN
bibechana-18385	1	12	k.	k.	PROPN
bibechana-18385	1	13	chaudhary/	chaudhary/	NUM
bibechana-18385	1	14	bibechana	bibechana	NOUN
bibechana-18385	1	15	15	15	NUM
bibechana-18385	1	16	(	(	PUNCT
bibechana-18385	1	17	2018	2018	NUM
bibechana-18385	1	18	)	)	PUNCT
bibechana-18385	1	19	131	131	NUM
bibechana-18385	1	20	-	-	SYM
bibechana-18385	1	21	139	139	NUM
bibechana-18385	1	22	:	:	PUNCT
bibechana-18385	1	23	rcost	rcost	NOUN
bibechana-18385	1	24	p.131	p.131	VERB
bibechana-18385	1	25	bibechana	bibechana	PROPN
bibechana-18385	1	26	a	a	DET
bibechana-18385	1	27	multidisciplinary	multidisciplinary	ADJ
bibechana-18385	1	28	journal	journal	NOUN
bibechana-18385	1	29	of	of	ADP
bibechana-18385	1	30	science	science	NOUN
bibechana-18385	1	31	,	,	PUNCT
bibechana-18385	1	32	technology	technology	NOUN
bibechana-18385	1	33	and	and	CCONJ
bibechana-18385	1	34	mathematics	mathematic	NOUN
bibechana-18385	1	35	issn	issn	VERB
bibechana-18385	1	36	2091	2091	NUM
bibechana-18385	1	37	-	-	SYM
bibechana-18385	1	38	0762	0762	NUM
bibechana-18385	1	39	(	(	PUNCT
bibechana-18385	1	40	print	print	NOUN
bibechana-18385	1	41	)	)	PUNCT
bibechana-18385	1	42	,	,	PUNCT
bibechana-18385	1	43	2382	2382	NUM
bibechana-18385	1	44	-	-	SYM
bibechana-18385	1	45	5340	5340	NUM
bibechana-18385	1	46	(	(	PUNCT
bibechana-18385	1	47	0nline	0nline	NUM
bibechana-18385	1	48	)	)	PUNCT
bibechana-18385	1	49	journal	journal	NOUN
bibechana-18385	1	50	homepage	homepage	NOUN
bibechana-18385	1	51	:	:	PUNCT
bibechana-18385	1	52	http://nepjol.info/index.php/bibechana	http://nepjol.info/index.php/bibechana	PROPN
bibechana-18385	1	53	publisher	publisher	NOUN
bibechana-18385	1	54	:	:	PUNCT
bibechana-18385	1	55	research	research	PROPN
bibechana-18385	1	56	council	council	PROPN
bibechana-18385	1	57	of	of	ADP
bibechana-18385	1	58	science	science	NOUN
bibechana-18385	1	59	and	and	CCONJ
bibechana-18385	1	60	technology	technology	NOUN
bibechana-18385	1	61	,	,	PUNCT
bibechana-18385	1	62	biratnagar	biratnagar	NOUN
bibechana-18385	1	63	,	,	PUNCT
bibechana-18385	1	64	nepal	nepal	PROPN
bibechana-18385	1	65	nbo	nbo	PROPN
bibechana-18385	1	66	,	,	PUNCT
bibechana-18385	1	67	nonlinear	nonlinear	ADJ
bibechana-18385	1	68	optical	optical	ADJ
bibechana-18385	1	69	and	and	CCONJ
bibechana-18385	1	70	thermodynamic	thermodynamic	ADJ
bibechana-18385	1	71	properties	property	NOUN
bibechana-18385	1	72	of	of	ADP
bibechana-18385	1	73	10	10	NUM
bibechana-18385	1	74	-	-	PUNCT
bibechana-18385	1	75	acetyl-10h	acetyl-10h	NOUN
bibechana-18385	1	76	-	-	PUNCT
bibechana-18385	1	77	phenothiazine	phenothiazine	ADJ
bibechana-18385	1	78	5	5	NUM
bibechana-18385	1	79	-	-	PUNCT
bibechana-18385	1	80	oxide	oxide	NOUN
bibechana-18385	1	81	bhawani	bhawani	NOUN
bibechana-18385	1	82	datt	datt	PROPN
bibechana-18385	2	1	joshi1,2	joshi1,2	PROPN
bibechana-18385	2	2	*	*	PROPN
bibechana-18385	2	3	,	,	PUNCT
bibechana-18385	2	4	manoj	manoj	PROPN
bibechana-18385	2	5	kumar	kumar	PROPN
bibechana-18385	2	6	chaudhary3	chaudhary3	PROPN
bibechana-18385	2	7	1department	1department	NUM
bibechana-18385	2	8	of	of	ADP
bibechana-18385	2	9	physics	physics	PROPN
bibechana-18385	2	10	,	,	PUNCT
bibechana-18385	2	11	siddhanath	siddhanath	PROPN
bibechana-18385	2	12	sc	sc	PROPN
bibechana-18385	2	13	.	.	PROPN
bibechana-18385	2	14	campus	campus	PROPN
bibechana-18385	2	15	,	,	PUNCT
bibechana-18385	2	16	tribhuvan	tribhuvan	PROPN
bibechana-18385	2	17	university	university	PROPN
bibechana-18385	2	18	,	,	PUNCT
bibechana-18385	2	19	nepal	nepal	NOUN
bibechana-18385	2	20	2departamento	2departamento	NUM
bibechana-18385	2	21	de	de	SYM
bibechana-18385	2	22	física	física	PROPN
bibechana-18385	2	23	,	,	PUNCT
bibechana-18385	2	24	universidade	universidade	PROPN
bibechana-18385	2	25	federal	federal	PROPN
bibechana-18385	2	26	do	do	AUX
bibechana-18385	2	27	ceará	ceará	NOUN
bibechana-18385	2	28	,	,	PUNCT
bibechana-18385	2	29	fortaleza	fortaleza	PROPN
bibechana-18385	2	30	,	,	PUNCT
bibechana-18385	2	31	ce	ce	PROPN
bibechana-18385	2	32	,	,	PUNCT
bibechana-18385	2	33	brazil	brazil	PROPN
bibechana-18385	2	34	.	.	PUNCT
bibechana-18385	3	1	3department	3department	NUM
bibechana-18385	3	2	of	of	ADP
bibechana-18385	3	3	physics	physics	PROPN
bibechana-18385	3	4	,	,	PUNCT
bibechana-18385	3	5	amrit	amrit	PROPN
bibechana-18385	3	6	sc	sc	PROPN
bibechana-18385	3	7	.	.	PROPN
bibechana-18385	3	8	campus	campus	PROPN
bibechana-18385	3	9	,	,	PUNCT
bibechana-18385	3	10	tribhuvan	tribhuvan	PROPN
bibechana-18385	3	11	university	university	PROPN
bibechana-18385	3	12	,	,	PUNCT
bibechana-18385	3	13	nepal	nepal	NOUN
bibechana-18385	3	14	*	*	NOUN
bibechana-18385	3	15	email	email	NOUN
bibechana-18385	3	16	:	:	PUNCT
bibechana-18385	3	17	pbdjoshi@gmail.com	pbdjoshi@gmail.com	X
bibechana-18385	3	18	article	article	NOUN
bibechana-18385	3	19	history	history	NOUN
bibechana-18385	3	20	:	:	PUNCT
bibechana-18385	3	21	received	receive	VERB
bibechana-18385	3	22	11	11	NUM
bibechana-18385	3	23	october	october	PROPN
bibechana-18385	3	24	,	,	PUNCT
bibechana-18385	3	25	2017	2017	NUM
bibechana-18385	3	26	;	;	PUNCT
bibechana-18385	3	27	11	11	NUM
bibechana-18385	3	28	december	december	PROPN
bibechana-18385	3	29	,	,	PUNCT
bibechana-18385	3	30	2017	2017	NUM
bibechana-18385	3	31	doi	doi	NOUN
bibechana-18385	3	32	:	:	PUNCT
bibechana-18385	3	33	http://dx.doi.org/10.3126/bibechana.v15i0.18385	http://dx.doi.org/10.3126/bibechana.v15i0.18385	PROPN
bibechana-18385	3	34	this	this	DET
bibechana-18385	3	35	work	work	NOUN
bibechana-18385	3	36	is	be	AUX
bibechana-18385	3	37	licensed	license	VERB
bibechana-18385	3	38	under	under	ADP
bibechana-18385	3	39	the	the	DET
bibechana-18385	3	40	creative	creative	ADJ
bibechana-18385	3	41	commons	common	NOUN
bibechana-18385	3	42	cc	cc	ADP
bibechana-18385	3	43	by	by	ADP
bibechana-18385	3	44	-	-	PUNCT
bibechana-18385	3	45	nc	nc	NOUN
bibechana-18385	3	46	license	license	NOUN
bibechana-18385	3	47	.	.	PUNCT
bibechana-18385	4	1	https://creativecommons.org/licenses/by-nc/4.0/	https://creativecommons.org/licenses/by-nc/4.0/	DET
bibechana-18385	4	2	abstract	abstract	ADJ
bibechana-18385	4	3	in	in	ADP
bibechana-18385	4	4	this	this	DET
bibechana-18385	4	5	paper	paper	NOUN
bibechana-18385	4	6	,	,	PUNCT
bibechana-18385	4	7	natural	natural	ADJ
bibechana-18385	4	8	bond	bond	NOUN
bibechana-18385	4	9	orbital	orbital	NOUN
bibechana-18385	4	10	(	(	PUNCT
bibechana-18385	4	11	nbo	nbo	NOUN
bibechana-18385	4	12	)	)	PUNCT
bibechana-18385	4	13	analysis	analysis	NOUN
bibechana-18385	4	14	,	,	PUNCT
bibechana-18385	4	15	nonlinear	nonlinear	ADJ
bibechana-18385	4	16	optical	optical	ADJ
bibechana-18385	4	17	and	and	CCONJ
bibechana-18385	4	18	the	the	DET
bibechana-18385	4	19	thermodynamic	thermodynamic	ADJ
bibechana-18385	4	20	properties	property	NOUN
bibechana-18385	4	21	of	of	ADP
bibechana-18385	4	22	10	10	NUM
bibechana-18385	4	23	-	-	PUNCT
bibechana-18385	4	24	acetyl-10h	acetyl-10h	NOUN
bibechana-18385	4	25	-	-	PUNCT
bibechana-18385	4	26	phenothiazine	phenothiazine	ADJ
bibechana-18385	4	27	5	5	NUM
bibechana-18385	4	28	-	-	PUNCT
bibechana-18385	4	29	oxide	oxide	NOUN
bibechana-18385	4	30	have	have	AUX
bibechana-18385	4	31	been	be	AUX
bibechana-18385	4	32	analyzed	analyze	VERB
bibechana-18385	4	33	by	by	ADP
bibechana-18385	4	34	employing	employ	VERB
bibechana-18385	4	35	density	density	NOUN
bibechana-18385	4	36	functional	functional	ADJ
bibechana-18385	4	37	theory	theory	NOUN
bibechana-18385	4	38	level	level	NOUN
bibechana-18385	4	39	employing	employ	VERB
bibechana-18385	4	40	6	6	NUM
bibechana-18385	4	41	-	-	PUNCT
bibechana-18385	4	42	311++g(d	311++g(d	NUM
bibechana-18385	4	43	,	,	PUNCT
bibechana-18385	4	44	p	p	NOUN
bibechana-18385	4	45	)	)	PUNCT
bibechana-18385	4	46	basis	basis	NOUN
bibechana-18385	4	47	set	set	NOUN
bibechana-18385	4	48	.	.	PUNCT
bibechana-18385	5	1	nbo	nbo	PROPN
bibechana-18385	5	2	analysis	analysis	NOUN
bibechana-18385	5	3	reveals	reveal	VERB
bibechana-18385	5	4	that	that	SCONJ
bibechana-18385	5	5	the	the	DET
bibechana-18385	5	6	intraintermolecular	intraintermolecular	ADJ
bibechana-18385	5	7	charge	charge	NOUN
bibechana-18385	5	8	transfer	transfer	NOUN
bibechana-18385	5	9	occurs	occur	VERB
bibechana-18385	5	10	within	within	ADP
bibechana-18385	5	11	the	the	DET
bibechana-18385	5	12	molecule	molecule	NOUN
bibechana-18385	5	13	leading	lead	VERB
bibechana-18385	5	14	to	to	ADP
bibechana-18385	5	15	the	the	DET
bibechana-18385	5	16	stabilization	stabilization	NOUN
bibechana-18385	5	17	.	.	PUNCT
bibechana-18385	6	1	the	the	DET
bibechana-18385	6	2	predicted	predict	VERB
bibechana-18385	6	3	nonlinear	nonlinear	ADJ
bibechana-18385	6	4	optical	optical	ADJ
bibechana-18385	6	5	properties	property	NOUN
bibechana-18385	6	6	(	(	PUNCT
bibechana-18385	6	7	nlo	nlo	PROPN
bibechana-18385	6	8	)	)	PUNCT
bibechana-18385	6	9	like	like	ADP
bibechana-18385	6	10	;	;	PUNCT
bibechana-18385	6	11	polarizability	polarizability	NOUN
bibechana-18385	6	12	and	and	CCONJ
bibechana-18385	6	13	first	first	ADV
bibechana-18385	6	14	hyperpolarizabiliy	hyperpolarizabiliy	ADV
bibechana-18385	6	15	support	support	VERB
bibechana-18385	6	16	that	that	SCONJ
bibechana-18385	6	17	the	the	DET
bibechana-18385	6	18	molecule	molecule	NOUN
bibechana-18385	6	19	could	could	AUX
bibechana-18385	6	20	attract	attract	VERB
bibechana-18385	6	21	the	the	DET
bibechana-18385	6	22	interests	interest	NOUN
bibechana-18385	6	23	for	for	ADP
bibechana-18385	6	24	future	future	ADJ
bibechana-18385	6	25	investigation	investigation	NOUN
bibechana-18385	6	26	.	.	PUNCT
bibechana-18385	7	1	keywords	keyword	NOUN
bibechana-18385	7	2	:	:	PUNCT
bibechana-18385	7	3	aptz	aptz	ADJ
bibechana-18385	7	4	;	;	PUNCT
bibechana-18385	7	5	dft	dft	PROPN
bibechana-18385	7	6	;	;	PUNCT
bibechana-18385	7	7	nbo	nbo	PROPN
bibechana-18385	7	8	,	,	PUNCT
bibechana-18385	7	9	nonlinear	nonlinear	ADJ
bibechana-18385	7	10	optical	optical	ADJ
bibechana-18385	7	11	and	and	CCONJ
bibechana-18385	7	12	thermodynamic	thermodynamic	ADJ
bibechana-18385	7	13	properties	property	NOUN
bibechana-18385	7	14	.	.	PUNCT
bibechana-18385	8	1	1	1	X
bibechana-18385	8	2	.	.	X
bibechana-18385	8	3	introduction	introduction	NOUN
bibechana-18385	8	4	the	the	DET
bibechana-18385	8	5	heterocyclic	heterocyclic	ADJ
bibechana-18385	8	6	organic	organic	ADJ
bibechana-18385	8	7	compounds	compound	NOUN
bibechana-18385	8	8	in	in	ADP
bibechana-18385	8	9	which	which	PRON
bibechana-18385	8	10	sulphur	sulphur	NOUN
bibechana-18385	8	11	and	and	CCONJ
bibechana-18385	8	12	nitrogen	nitrogen	NOUN
bibechana-18385	8	13	are	be	AUX
bibechana-18385	8	14	incorporated	incorporate	VERB
bibechana-18385	8	15	in	in	ADP
bibechana-18385	8	16	the	the	DET
bibechana-18385	8	17	tricyclic	tricyclic	ADJ
bibechana-18385	8	18	system	system	NOUN
bibechana-18385	8	19	;	;	PUNCT
bibechana-18385	8	20	exhibit	exhibit	VERB
bibechana-18385	8	21	a	a	DET
bibechana-18385	8	22	wide	wide	ADJ
bibechana-18385	8	23	range	range	NOUN
bibechana-18385	8	24	of	of	ADP
bibechana-18385	8	25	pharmacological	pharmacological	NOUN
bibechana-18385	8	26	/	/	SYM
bibechana-18385	8	27	biological	biological	ADJ
bibechana-18385	8	28	activities	activity	NOUN
bibechana-18385	8	29	[	[	X
bibechana-18385	8	30	1	1	NUM
bibechana-18385	8	31	-	-	SYM
bibechana-18385	8	32	5	5	NUM
bibechana-18385	8	33	]	]	PUNCT
bibechana-18385	8	34	.	.	PUNCT
bibechana-18385	9	1	different	different	ADJ
bibechana-18385	9	2	derivatives	derivative	NOUN
bibechana-18385	9	3	of	of	ADP
bibechana-18385	9	4	phnothiozene	phnothiozene	NOUN
bibechana-18385	9	5	are	be	AUX
bibechana-18385	9	6	kwon	kwon	VERB
bibechana-18385	9	7	for	for	ADP
bibechana-18385	9	8	their	their	PRON
bibechana-18385	9	9	clinical	clinical	ADJ
bibechana-18385	9	10	activities	activity	NOUN
bibechana-18385	9	11	.	.	PUNCT
bibechana-18385	10	1	antihistamines	antihistamine	NOUN
bibechana-18385	10	2	,	,	PUNCT
bibechana-18385	10	3	diuretics	diuretic	NOUN
bibechana-18385	10	4	,	,	PUNCT
bibechana-18385	10	5	analgesics	analgesic	NOUN
bibechana-18385	10	6	,	,	PUNCT
bibechana-18385	10	7	neurolepitcs	neurolepitcs	NOUN
bibechana-18385	10	8	,	,	PUNCT
bibechana-18385	10	9	antileukemic	antileukemic	ADJ
bibechana-18385	10	10	,	,	PUNCT
bibechana-18385	10	11	antimutagenic	antimutagenic	ADJ
bibechana-18385	10	12	,	,	PUNCT
bibechana-18385	10	13	antileishmanial	antileishmanial	ADJ
bibechana-18385	10	14	etc	etc	X
bibechana-18385	10	15	.	.	X
bibechana-18385	10	16	are	be	AUX
bibechana-18385	10	17	some	some	PRON
bibechana-18385	10	18	of	of	ADP
bibechana-18385	10	19	their	their	PRON
bibechana-18385	10	20	main	main	ADJ
bibechana-18385	10	21	potential	potential	ADJ
bibechana-18385	10	22	applications	application	NOUN
bibechana-18385	10	23	[	[	X
bibechana-18385	10	24	2	2	NUM
bibechana-18385	10	25	-	-	SYM
bibechana-18385	10	26	7	7	NUM
bibechana-18385	10	27	]	]	PUNCT
bibechana-18385	10	28	of	of	ADP
bibechana-18385	10	29	the	the	DET
bibechana-18385	10	30	drugs	drug	NOUN
bibechana-18385	10	31	that	that	PRON
bibechana-18385	10	32	containing	contain	VERB
bibechana-18385	10	33	phenothiozenes	phenothiozene	NOUN
bibechana-18385	10	34	.	.	PUNCT
bibechana-18385	11	1	pallafox	pallafox	VERB
bibechana-18385	11	2	et	et	PROPN
bibechana-18385	11	3	.	.	PUNCT
bibechana-18385	12	1	al	al	PROPN
bibechana-18385	12	2	.	.	PUNCT
bibechana-18385	13	1	[	[	X
bibechana-18385	13	2	6	6	NUM
bibechana-18385	13	3	]	]	PUNCT
bibechana-18385	13	4	studied	study	VERB
bibechana-18385	13	5	the	the	DET
bibechana-18385	13	6	infrared	infrared	NOUN
bibechana-18385	13	7	,	,	PUNCT
bibechana-18385	13	8	raman	raman	NOUN
bibechana-18385	13	9	and	and	CCONJ
bibechana-18385	13	10	13c	13c	NOUN
bibechana-18385	13	11	-	-	ADJ
bibechana-18385	13	12	nmr	nmr	ADJ
bibechana-18385	13	13	spectroscopic	spectroscopic	ADJ
bibechana-18385	13	14	studies	study	NOUN
bibechana-18385	13	15	of	of	ADP
bibechana-18385	13	16	n	n	CCONJ
bibechana-18385	13	17	-	-	PUNCT
bibechana-18385	13	18	methyl	methyl	NOUN
bibechana-18385	13	19	phenothiazine	phenothiazine	NOUN
bibechana-18385	13	20	.	.	PUNCT
bibechana-18385	14	1	sharma	sharma	PROPN
bibechana-18385	14	2	et	et	PROPN
bibechana-18385	14	3	.	.	PUNCT
bibechana-18385	15	1	al	al	PROPN
bibechana-18385	15	2	.	.	PUNCT
bibechana-18385	16	1	[	[	X
bibechana-18385	16	2	7	7	X
bibechana-18385	16	3	]	]	PUNCT
bibechana-18385	16	4	reported	report	VERB
bibechana-18385	16	5	various	various	ADJ
bibechana-18385	16	6	remarkable	remarkable	ADJ
bibechana-18385	16	7	biological	biological	ADJ
bibechana-18385	16	8	activities	activity	NOUN
bibechana-18385	16	9	of	of	ADP
bibechana-18385	16	10	thiazolidines	thiazolidine	NOUN
bibechana-18385	16	11	.	.	PUNCT
bibechana-18385	17	1	previously	previously	ADV
bibechana-18385	17	2	,	,	PUNCT
bibechana-18385	17	3	we	we	PRON
bibechana-18385	17	4	have	have	AUX
bibechana-18385	17	5	revealed	reveal	VERB
bibechana-18385	17	6	vibrational	vibrational	ADJ
bibechana-18385	17	7	analysis	analysis	NOUN
bibechana-18385	17	8	of	of	ADP
bibechana-18385	17	9	10	10	NUM
bibechana-18385	17	10	-	-	PUNCT
bibechana-18385	17	11	acetyl-10h	acetyl-10h	NUM
bibechana-18385	17	12	-	-	PUNCT
bibechana-18385	17	13	phenothiazine5	phenothiazine5	NOUN
bibechana-18385	17	14	-	-	PUNCT
bibechana-18385	17	15	oxide	oxide	NOUN
bibechana-18385	17	16	[	[	X
bibechana-18385	17	17	aptz	aptz	X
bibechana-18385	17	18	]	]	X
bibechana-18385	17	19	using	use	VERB
bibechana-18385	17	20	quantum	quantum	ADJ
bibechana-18385	17	21	chemical	chemical	NOUN
bibechana-18385	17	22	calculations	calculation	NOUN
bibechana-18385	17	23	[	[	X
bibechana-18385	17	24	8	8	NUM
bibechana-18385	17	25	]	]	PUNCT
bibechana-18385	17	26	.	.	PUNCT
bibechana-18385	18	1	the	the	DET
bibechana-18385	18	2	aim	aim	NOUN
bibechana-18385	18	3	of	of	ADP
bibechana-18385	18	4	the	the	DET
bibechana-18385	18	5	present	present	ADJ
bibechana-18385	18	6	study	study	NOUN
bibechana-18385	18	7	is	be	AUX
bibechana-18385	18	8	to	to	PART
bibechana-18385	18	9	communicate	communicate	VERB
bibechana-18385	18	10	some	some	DET
bibechana-18385	18	11	additional	additional	ADJ
bibechana-18385	18	12	investigations	investigation	NOUN
bibechana-18385	18	13	on	on	ADP
bibechana-18385	18	14	structure	structure	NOUN
bibechana-18385	18	15	activity	activity	NOUN
bibechana-18385	18	16	relation	relation	NOUN
bibechana-18385	18	17	of	of	ADP
bibechana-18385	18	18	the	the	DET
bibechana-18385	18	19	molecule	molecule	NOUN
bibechana-18385	18	20	on	on	ADP
bibechana-18385	18	21	the	the	DET
bibechana-18385	18	22	aptz	aptz	PROPN
bibechana-18385	18	23	molecule	molecule	NOUN
bibechana-18385	18	24	.	.	PUNCT
bibechana-18385	19	1	in	in	ADP
bibechana-18385	19	2	this	this	DET
bibechana-18385	19	3	study	study	NOUN
bibechana-18385	19	4	,	,	PUNCT
bibechana-18385	19	5	we	we	PRON
bibechana-18385	19	6	have	have	AUX
bibechana-18385	19	7	presented	present	VERB
bibechana-18385	19	8	the	the	DET
bibechana-18385	19	9	nonlinear	nonlinear	ADJ
bibechana-18385	19	10	optical	optical	ADJ
bibechana-18385	19	11	and	and	CCONJ
bibechana-18385	19	12	thermodynamic	thermodynamic	ADJ
bibechana-18385	19	13	properties	property	NOUN
bibechana-18385	19	14	together	together	ADV
bibechana-18385	19	15	with	with	ADP
bibechana-18385	19	16	the	the	DET
bibechana-18385	19	17	natural	natural	ADJ
bibechana-18385	19	18	bond	bond	NOUN
bibechana-18385	19	19	orbital	orbital	NOUN
bibechana-18385	19	20	(	(	PUNCT
bibechana-18385	19	21	nbo	nbo	NOUN
bibechana-18385	19	22	)	)	PUNCT
bibechana-18385	19	23	analysis	analysis	NOUN
bibechana-18385	19	24	of	of	ADP
bibechana-18385	19	25	the	the	DET
bibechana-18385	19	26	title	title	NOUN
bibechana-18385	19	27	compound	compound	NOUN
bibechana-18385	19	28	by	by	ADP
bibechana-18385	19	29	employing	employ	VERB
bibechana-18385	19	30	density	density	NOUN
bibechana-18385	19	31	functional	functional	ADJ
bibechana-18385	19	32	theory	theory	NOUN
bibechana-18385	19	33	[	[	X
bibechana-18385	19	34	dft	dft	X
bibechana-18385	19	35	]	]	X
bibechana-18385	20	1	[	[	X
bibechana-18385	20	2	9	9	NUM
bibechana-18385	20	3	]	]	SYM
bibechana-18385	20	4	6	6	NUM
bibechana-18385	20	5	-	-	PUNCT
bibechana-18385	20	6	311++g(d	311++g(d	NUM
bibechana-18385	20	7	,	,	PUNCT
bibechana-18385	20	8	p	p	NOUN
bibechana-18385	20	9	)	)	PUNCT
bibechana-18385	20	10	basis	basis	NOUN
bibechana-18385	20	11	set	set	NOUN
bibechana-18385	20	12	[	[	X
bibechana-18385	20	13	10	10	NUM
bibechana-18385	20	14	]	]	PUNCT
bibechana-18385	20	15	using	use	VERB
bibechana-18385	20	16	gaussian	gaussian	ADJ
bibechana-18385	20	17	09	09	NUM
bibechana-18385	20	18	program	program	NOUN
bibechana-18385	20	19	package	package	NOUN
bibechana-18385	20	20	[	[	X
bibechana-18385	20	21	11	11	NUM
bibechana-18385	20	22	]	]	SYM
bibechana-18385	20	23	.	.	PUNCT
bibechana-18385	21	1	2	2	X
bibechana-18385	21	2	.	.	X
bibechana-18385	21	3	materials	material	NOUN
bibechana-18385	21	4	and	and	CCONJ
bibechana-18385	21	5	methods	method	NOUN
bibechana-18385	21	6	2.1	2.1	NUM
bibechana-18385	21	7	.	.	PUNCT
bibechana-18385	22	1	theoretical	theoretical	ADJ
bibechana-18385	22	2	method	method	NOUN
bibechana-18385	22	3	using	use	VERB
bibechana-18385	22	4	the	the	DET
bibechana-18385	22	5	data	datum	NOUN
bibechana-18385	22	6	available	available	ADJ
bibechana-18385	22	7	in	in	ADP
bibechana-18385	22	8	pubchem	pubchem	NOUN
bibechana-18385	22	9	data	datum	NOUN
bibechana-18385	22	10	base	base	NOUN
bibechana-18385	23	1	[	[	X
bibechana-18385	23	2	12	12	NUM
bibechana-18385	23	3	]	]	PUNCT
bibechana-18385	23	4	geometry	geometry	NOUN
bibechana-18385	23	5	optimization	optimization	NOUN
bibechana-18385	23	6	has	have	AUX
bibechana-18385	23	7	been	be	AUX
bibechana-18385	23	8	performed	perform	VERB
bibechana-18385	23	9	bhawani	bhawani	PROPN
bibechana-18385	23	10	d.	d.	PROPN
bibechana-18385	23	11	joshi	joshi	PROPN
bibechana-18385	23	12	,	,	PUNCT
bibechana-18385	23	13	manoj	manoj	PROPN
bibechana-18385	23	14	k.	k.	PROPN
bibechana-18385	23	15	chaudhary/	chaudhary/	NUM
bibechana-18385	23	16	bibechana	bibechana	NOUN
bibechana-18385	23	17	15	15	NUM
bibechana-18385	23	18	(	(	PUNCT
bibechana-18385	23	19	2018	2018	NUM
bibechana-18385	23	20	)	)	PUNCT
bibechana-18385	23	21	131	131	NUM
bibechana-18385	23	22	-	-	SYM
bibechana-18385	23	23	139	139	NUM
bibechana-18385	23	24	:	:	PUNCT
bibechana-18385	23	25	rcost	rcost	NOUN
bibechana-18385	23	26	p.132	p.132	NOUN
bibechana-18385	23	27	without	without	ADP
bibechana-18385	23	28	using	use	VERB
bibechana-18385	23	29	any	any	DET
bibechana-18385	23	30	constraints	constraint	NOUN
bibechana-18385	23	31	.	.	PUNCT
bibechana-18385	24	1	the	the	DET
bibechana-18385	24	2	optimized	optimize	VERB
bibechana-18385	24	3	ground	ground	NOUN
bibechana-18385	24	4	state	state	NOUN
bibechana-18385	24	5	structure	structure	NOUN
bibechana-18385	24	6	of	of	ADP
bibechana-18385	24	7	the	the	DET
bibechana-18385	24	8	molecule	molecule	NOUN
bibechana-18385	24	9	obtained	obtain	VERB
bibechana-18385	24	10	by	by	ADP
bibechana-18385	24	11	dft	dft	PROPN
bibechana-18385	24	12	method	method	NOUN
bibechana-18385	24	13	visualized	visualize	VERB
bibechana-18385	24	14	in	in	ADP
bibechana-18385	24	15	gauss	gauss	ADJ
bibechana-18385	24	16	view	view	NOUN
bibechana-18385	24	17	program	program	NOUN
bibechana-18385	24	18	[	[	X
bibechana-18385	24	19	13	13	NUM
bibechana-18385	24	20	]	]	PUNCT
bibechana-18385	24	21	is	be	AUX
bibechana-18385	24	22	shown	show	VERB
bibechana-18385	24	23	in	in	ADP
bibechana-18385	24	24	figure	figure	NOUN
bibechana-18385	24	25	1	1	NUM
bibechana-18385	24	26	.	.	PUNCT
bibechana-18385	25	1	we	we	PRON
bibechana-18385	25	2	have	have	AUX
bibechana-18385	25	3	utilized	utilize	VERB
bibechana-18385	25	4	the	the	DET
bibechana-18385	25	5	dft	dft	NOUN
bibechana-18385	25	6	based	base	VERB
bibechana-18385	25	7	on	on	ADP
bibechana-18385	25	8	becke	becke	NOUN
bibechana-18385	25	9	’s	’s	PART
bibechana-18385	25	10	three	three	NUM
bibechana-18385	25	11	-	-	PUNCT
bibechana-18385	25	12	parameter	parameter	NOUN
bibechana-18385	25	13	(	(	PUNCT
bibechana-18385	25	14	local	local	ADJ
bibechana-18385	25	15	,	,	PUNCT
bibechana-18385	25	16	non	non	ADJ
bibechana-18385	25	17	-	-	ADJ
bibechana-18385	25	18	local	local	ADJ
bibechana-18385	25	19	,	,	PUNCT
bibechana-18385	25	20	hf	hf	NOUN
bibechana-18385	25	21	)	)	PUNCT
bibechana-18385	25	22	hybrid	hybrid	ADJ
bibechana-18385	25	23	exchange	exchange	NOUN
bibechana-18385	25	24	functional	functional	ADJ
bibechana-18385	25	25	with	with	ADP
bibechana-18385	25	26	lee	lee	PROPN
bibechana-18385	25	27	–	–	PUNCT
bibechana-18385	25	28	yang	yang	PROPN
bibechana-18385	25	29	–	–	PUNCT
bibechana-18385	25	30	parr	parr	NOUN
bibechana-18385	25	31	correlation	correlation	NOUN
bibechana-18385	25	32	functional	functional	ADJ
bibechana-18385	25	33	(	(	PUNCT
bibechana-18385	25	34	b3lyp	b3lyp	X
bibechana-18385	25	35	)	)	PUNCT
bibechana-18385	26	1	[	[	X
bibechana-18385	26	2	10	10	NUM
bibechana-18385	26	3	]	]	PUNCT
bibechana-18385	26	4	.	.	PUNCT
bibechana-18385	27	1	fig	fig	NOUN
bibechana-18385	27	2	.	.	PUNCT
bibechana-18385	28	1	1	1	NUM
bibechana-18385	28	2	:	:	PUNCT
bibechana-18385	28	3	optimized	optimize	VERB
bibechana-18385	28	4	structure	structure	NOUN
bibechana-18385	28	5	of	of	ADP
bibechana-18385	28	6	aptz	aptz	PROPN
bibechana-18385	28	7	molecule	molecule	NOUN
bibechana-18385	28	8	(	(	PUNCT
bibechana-18385	28	9	sulphur	sulphur	NOUN
bibechana-18385	28	10	:	:	PUNCT
bibechana-18385	28	11	yellow	yellow	ADJ
bibechana-18385	28	12	,	,	PUNCT
bibechana-18385	28	13	nitrogen	nitrogen	NOUN
bibechana-18385	28	14	:	:	PUNCT
bibechana-18385	28	15	blue	blue	ADJ
bibechana-18385	28	16	,	,	PUNCT
bibechana-18385	28	17	oxygen	oxygen	NOUN
bibechana-18385	28	18	:	:	PUNCT
bibechana-18385	28	19	red	red	ADJ
bibechana-18385	28	20	,	,	PUNCT
bibechana-18385	28	21	carbon	carbon	NOUN
bibechana-18385	28	22	:	:	PUNCT
bibechana-18385	28	23	gray	gray	ADJ
bibechana-18385	28	24	and	and	CCONJ
bibechana-18385	28	25	hydrogen	hydrogen	NOUN
bibechana-18385	28	26	:	:	PUNCT
bibechana-18385	28	27	white	white	ADJ
bibechana-18385	28	28	in	in	ADP
bibechana-18385	28	29	colours	colour	NOUN
bibechana-18385	28	30	)	)	PUNCT
bibechana-18385	28	31	.	.	PUNCT
bibechana-18385	29	1	the	the	DET
bibechana-18385	29	2	basis	basis	NOUN
bibechana-18385	29	3	set	set	VERB
bibechana-18385	29	4	6	6	NUM
bibechana-18385	29	5	-	-	PUNCT
bibechana-18385	29	6	311++g(d	311++g(d	NUM
bibechana-18385	29	7	,	,	PUNCT
bibechana-18385	29	8	p	p	NOUN
bibechana-18385	29	9	)	)	PUNCT
bibechana-18385	29	10	augmented	augment	VERB
bibechana-18385	29	11	by	by	ADP
bibechana-18385	29	12	‘	'	PUNCT
bibechana-18385	29	13	d	d	NOUN
bibechana-18385	29	14	’	'	PUNCT
bibechana-18385	29	15	polarization	polarization	NOUN
bibechana-18385	29	16	functions	function	NOUN
bibechana-18385	29	17	on	on	ADP
bibechana-18385	29	18	heavy	heavy	ADJ
bibechana-18385	29	19	atoms	atom	NOUN
bibechana-18385	29	20	(	(	PUNCT
bibechana-18385	29	21	nitrogen	nitrogen	NOUN
bibechana-18385	29	22	,	,	PUNCT
bibechana-18385	29	23	sulphur	sulphur	NOUN
bibechana-18385	29	24	etc	etc	X
bibechana-18385	29	25	.	.	PUNCT
bibechana-18385	29	26	)	)	PUNCT
bibechana-18385	30	1	and	and	CCONJ
bibechana-18385	30	2	‘	'	PUNCT
bibechana-18385	30	3	p	p	X
bibechana-18385	30	4	’	'	PUNCT
bibechana-18385	30	5	polarization	polarization	NOUN
bibechana-18385	30	6	functions	function	NOUN
bibechana-18385	30	7	on	on	ADP
bibechana-18385	30	8	hydrogen	hydrogen	NOUN
bibechana-18385	30	9	atoms	atom	NOUN
bibechana-18385	30	10	as	as	ADV
bibechana-18385	30	11	well	well	ADV
bibechana-18385	30	12	as	as	ADP
bibechana-18385	30	13	diffuse	diffuse	ADJ
bibechana-18385	30	14	functions	function	NOUN
bibechana-18385	30	15	for	for	ADP
bibechana-18385	30	16	both	both	PRON
bibechana-18385	30	17	hydrogen	hydrogen	NOUN
bibechana-18385	30	18	and	and	CCONJ
bibechana-18385	30	19	heavy	heavy	ADJ
bibechana-18385	30	20	atoms	atom	NOUN
bibechana-18385	30	21	.	.	PUNCT
bibechana-18385	31	1	3	3	X
bibechana-18385	31	2	.	.	NOUN
bibechana-18385	31	3	results	result	NOUN
bibechana-18385	31	4	and	and	CCONJ
bibechana-18385	31	5	discussion	discussion	NOUN
bibechana-18385	31	6	3.1	3.1	NUM
bibechana-18385	31	7	.	.	PUNCT
bibechana-18385	31	8	natural	natural	ADJ
bibechana-18385	31	9	bond	bond	NOUN
bibechana-18385	31	10	orbital	orbital	NOUN
bibechana-18385	31	11	(	(	PUNCT
bibechana-18385	31	12	nbo	nbo	NOUN
bibechana-18385	31	13	)	)	PUNCT
bibechana-18385	31	14	analysis	analysis	NOUN
bibechana-18385	31	15	nbo	nbo	NOUN
bibechana-18385	31	16	analysis	analysis	NOUN
bibechana-18385	31	17	is	be	AUX
bibechana-18385	31	18	one	one	NUM
bibechana-18385	31	19	of	of	ADP
bibechana-18385	31	20	the	the	DET
bibechana-18385	31	21	efficient	efficient	ADJ
bibechana-18385	31	22	methods	method	NOUN
bibechana-18385	31	23	for	for	ADP
bibechana-18385	31	24	studying	study	VERB
bibechana-18385	31	25	hybridization	hybridization	NOUN
bibechana-18385	31	26	,	,	PUNCT
bibechana-18385	31	27	conjugative	conjugative	ADJ
bibechana-18385	31	28	interactions	interaction	NOUN
bibechana-18385	31	29	,	,	PUNCT
bibechana-18385	31	30	covalence	covalence	NOUN
bibechana-18385	31	31	effects	effect	NOUN
bibechana-18385	31	32	and	and	CCONJ
bibechana-18385	31	33	charge	charge	NOUN
bibechana-18385	31	34	transfer	transfer	NOUN
bibechana-18385	31	35	in	in	ADP
bibechana-18385	31	36	polyatomic	polyatomic	ADJ
bibechana-18385	31	37	wave	wave	NOUN
bibechana-18385	31	38	functions	function	NOUN
bibechana-18385	31	39	into	into	ADP
bibechana-18385	31	40	localized	localized	ADJ
bibechana-18385	31	41	form	form	NOUN
bibechana-18385	31	42	,	,	PUNCT
bibechana-18385	31	43	corresponding	correspond	VERB
bibechana-18385	31	44	to	to	ADP
bibechana-18385	31	45	one	one	NUM
bibechana-18385	31	46	center	center	NOUN
bibechana-18385	31	47	(	(	PUNCT
bibechana-18385	31	48	lone	lone	ADJ
bibechana-18385	31	49	pairs	pair	NOUN
bibechana-18385	31	50	)	)	PUNCT
bibechana-18385	31	51	and	and	CCONJ
bibechana-18385	31	52	two	two	NUM
bibechana-18385	31	53	centers	center	NOUN
bibechana-18385	31	54	(	(	PUNCT
bibechana-18385	31	55	bonds	bond	NOUN
bibechana-18385	31	56	)	)	PUNCT
bibechana-18385	31	57	of	of	ADP
bibechana-18385	31	58	lewis	lewis	PROPN
bibechana-18385	31	59	structure	structure	NOUN
bibechana-18385	31	60	picture	picture	NOUN
bibechana-18385	31	61	[	[	X
bibechana-18385	31	62	14	14	NUM
bibechana-18385	31	63	]	]	PUNCT
bibechana-18385	31	64	.	.	PUNCT
bibechana-18385	32	1	here	here	ADV
bibechana-18385	32	2	,	,	PUNCT
bibechana-18385	32	3	by	by	ADP
bibechana-18385	32	4	utilizing	utilize	VERB
bibechana-18385	32	5	the	the	DET
bibechana-18385	32	6	second	second	ADJ
bibechana-18385	32	7	-	-	PUNCT
bibechana-18385	32	8	order	order	NOUN
bibechana-18385	32	9	micro	micro	NOUN
bibechana-18385	32	10	-	-	NOUN
bibechana-18385	32	11	disturbance	disturbance	ADJ
bibechana-18385	32	12	theory	theory	NOUN
bibechana-18385	32	13	analysis	analysis	NOUN
bibechana-18385	32	14	we	we	PRON
bibechana-18385	32	15	have	have	AUX
bibechana-18385	32	16	reported	report	VERB
bibechana-18385	32	17	some	some	PRON
bibechana-18385	32	18	of	of	ADP
bibechana-18385	32	19	the	the	DET
bibechana-18385	32	20	electron	electron	NOUN
bibechana-18385	32	21	donor	donor	NOUN
bibechana-18385	32	22	orbital	orbital	NOUN
bibechana-18385	32	23	,	,	PUNCT
bibechana-18385	32	24	acceptor	acceptor	NOUN
bibechana-18385	32	25	orbital	orbital	NOUN
bibechana-18385	32	26	and	and	CCONJ
bibechana-18385	32	27	the	the	DET
bibechana-18385	32	28	interacting	interact	VERB
bibechana-18385	32	29	stabilization	stabilization	NOUN
bibechana-18385	32	30	energy	energy	NOUN
bibechana-18385	32	31	.	.	PUNCT
bibechana-18385	33	1	the	the	DET
bibechana-18385	33	2	intensity	intensity	NOUN
bibechana-18385	33	3	of	of	ADP
bibechana-18385	33	4	the	the	DET
bibechana-18385	33	5	interaction	interaction	NOUN
bibechana-18385	33	6	between	between	ADP
bibechana-18385	33	7	electron	electron	NOUN
bibechana-18385	33	8	donors	donor	NOUN
bibechana-18385	33	9	and	and	CCONJ
bibechana-18385	33	10	electron	electron	NOUN
bibechana-18385	33	11	acceptors	acceptor	NOUN
bibechana-18385	33	12	,	,	PUNCT
bibechana-18385	33	13	i.e.	i.e.	X
bibechana-18385	33	14	the	the	DET
bibechana-18385	33	15	more	more	ADV
bibechana-18385	33	16	donating	donating	NOUN
bibechana-18385	33	17	tendency	tendency	NOUN
bibechana-18385	33	18	from	from	ADP
bibechana-18385	33	19	electron	electron	NOUN
bibechana-18385	33	20	donors	donor	NOUN
bibechana-18385	33	21	to	to	PART
bibechana-18385	33	22	electron	electron	NOUN
bibechana-18385	33	23	acceptors	acceptor	NOUN
bibechana-18385	33	24	depends	depend	VERB
bibechana-18385	33	25	on	on	ADP
bibechana-18385	33	26	the	the	DET
bibechana-18385	33	27	e(2	e(2	NOUN
bibechana-18385	33	28	)	)	PUNCT
bibechana-18385	33	29	value	value	NOUN
bibechana-18385	33	30	.	.	PUNCT
bibechana-18385	34	1	the	the	DET
bibechana-18385	34	2	hyperconjugative	hyperconjugative	ADJ
bibechana-18385	34	3	interaction	interaction	NOUN
bibechana-18385	34	4	energy	energy	NOUN
bibechana-18385	34	5	was	be	AUX
bibechana-18385	34	6	deduced	deduce	VERB
bibechana-18385	34	7	from	from	ADP
bibechana-18385	34	8	the	the	DET
bibechana-18385	34	9	second	second	ADJ
bibechana-18385	34	10	-	-	PUNCT
bibechana-18385	34	11	order	order	NOUN
bibechana-18385	34	12	perturbation	perturbation	NOUN
bibechana-18385	34	13	approach	approach	NOUN
bibechana-18385	34	14	[	[	X
bibechana-18385	34	15	15	15	NUM
bibechana-18385	34	16	,	,	PUNCT
bibechana-18385	34	17	16	16	NUM
bibechana-18385	34	18	]	]	PUNCT
bibechana-18385	34	19	.	.	PUNCT
bibechana-18385	35	1	e	e	X
bibechana-18385	35	2	�	�	PROPN
bibechana-18385	35	3	�	�	PROPN
bibechana-18385	35	4	�	�	PROPN
bibechana-18385	35	5	�	�	PROPN
bibechana-18385	35	6	�	�	PROPN
bibechana-18385	35	7	n	n	CCONJ
bibechana-18385	35	8	�	�	PROPN
bibechana-18385	35	9	σ|f|σ	σ|f|σ	PROPN
bibechana-18385	35	10	�	�	PROPN
bibechana-18385	35	11	�	�	PROPN
bibechana-18385	35	12	e	e	PROPN
bibechana-18385	35	13	�	�	PROPN
bibechana-18385	35	14	∗	∗	NOUN
bibechana-18385	35	15	�	�	PROPN
bibechana-18385	35	16	e	e	NOUN
bibechana-18385	35	17	�	�	PROPN
bibechana-18385	35	18	⁄	⁄	PROPN
bibechana-18385	35	19	�	�	PROPN
bibechana-18385	35	20	�	�	PROPN
bibechana-18385	35	21	�	�	PROPN
bibechana-18385	35	22	n	n	CCONJ
bibechana-18385	35	23	�	�	PROPN
bibechana-18385	35	24	�	�	PROPN
bibechana-18385	35	25	f	f	PROPN
bibechana-18385	35	26	�	�	PROPN
bibechana-18385	35	27	�	�	PROPN
bibechana-18385	35	28	�	�	PROPN
bibechana-18385	35	29	∆e⁄	∆e⁄	PROPN
bibechana-18385	35	30	�	�	PROPN
bibechana-18385	35	31	wheref	wheref	PROPN
bibechana-18385	35	32	�	�	PROPN
bibechana-18385	35	33	�	�	PROPN
bibechana-18385	35	34	�	�	PROPN
bibechana-18385	35	35	is	be	AUX
bibechana-18385	35	36	the	the	DET
bibechana-18385	35	37	fock	fock	ADJ
bibechana-18385	35	38	matrix	matrix	NOUN
bibechana-18385	35	39	element	element	NOUN
bibechana-18385	35	40	between	between	ADP
bibechana-18385	35	41	i	i	PROPN
bibechana-18385	35	42	and	and	CCONJ
bibechana-18385	35	43	j	j	PROPN
bibechana-18385	35	44	nbo	nbo	PROPN
bibechana-18385	35	45	orbital	orbital	PROPN
bibechana-18385	35	46	,	,	PUNCT
bibechana-18385	35	47	e	e	NOUN
bibechana-18385	35	48	�	�	PROPN
bibechana-18385	35	49	and	and	CCONJ
bibechana-18385	35	50	e	e	NOUN
bibechana-18385	35	51	�	�	PROPN
bibechana-18385	35	52	∗are	∗are	VERB
bibechana-18385	35	53	the	the	DET
bibechana-18385	35	54	energies	energy	NOUN
bibechana-18385	35	55	of	of	ADP
bibechana-18385	35	56	�	�	PROPN
bibechana-18385	35	57	and	and	CCONJ
bibechana-18385	35	58	�	�	PROPN
bibechana-18385	35	59	*	*	PROPN
bibechana-18385	35	60	nbo	nbo	PROPN
bibechana-18385	35	61	’s	’s	NOUN
bibechana-18385	35	62	,	,	PUNCT
bibechana-18385	35	63	and	and	CCONJ
bibechana-18385	35	64	n	n	CCONJ
bibechana-18385	35	65	�	�	PROPN
bibechana-18385	35	66	is	be	AUX
bibechana-18385	35	67	the	the	DET
bibechana-18385	35	68	population	population	NOUN
bibechana-18385	35	69	of	of	ADP
bibechana-18385	35	70	the	the	DET
bibechana-18385	35	71	donor	donor	NOUN
bibechana-18385	35	72	orbital	orbital	NOUN
bibechana-18385	35	73	.	.	PUNCT
bibechana-18385	36	1	the	the	PRON
bibechana-18385	36	2	larger	large	ADJ
bibechana-18385	36	3	the	the	DET
bibechana-18385	36	4	e(2	e(2	NOUN
bibechana-18385	36	5	)	)	PUNCT
bibechana-18385	36	6	value	value	NOUN
bibechana-18385	36	7	the	the	DET
bibechana-18385	36	8	more	more	ADV
bibechana-18385	36	9	intensive	intensive	ADJ
bibechana-18385	36	10	is	be	AUX
bibechana-18385	36	11	interaction	interaction	NOUN
bibechana-18385	36	12	between	between	ADP
bibechana-18385	36	13	electron	electron	NOUN
bibechana-18385	36	14	donors	donor	NOUN
bibechana-18385	36	15	and	and	CCONJ
bibechana-18385	36	16	electron	electron	NOUN
bibechana-18385	36	17	acceptors	acceptor	NOUN
bibechana-18385	36	18	,	,	PUNCT
bibechana-18385	36	19	the	the	PRON
bibechana-18385	36	20	greater	great	ADJ
bibechana-18385	36	21	the	the	DET
bibechana-18385	36	22	extent	extent	NOUN
bibechana-18385	36	23	of	of	ADP
bibechana-18385	36	24	conjugation	conjugation	NOUN
bibechana-18385	36	25	of	of	ADP
bibechana-18385	36	26	the	the	DET
bibechana-18385	36	27	whole	whole	ADJ
bibechana-18385	36	28	system	system	NOUN
bibechana-18385	36	29	[	[	X
bibechana-18385	36	30	14	14	NUM
bibechana-18385	36	31	]	]	PUNCT
bibechana-18385	36	32	.	.	PUNCT
bibechana-18385	37	1	hyperconjugation	hyperconjugation	NOUN
bibechana-18385	37	2	is	be	AUX
bibechana-18385	37	3	a	a	DET
bibechana-18385	37	4	stabilizing	stabilize	VERB
bibechana-18385	37	5	effect	effect	NOUN
bibechana-18385	37	6	that	that	PRON
bibechana-18385	37	7	arises	arise	VERB
bibechana-18385	37	8	from	from	ADP
bibechana-18385	37	9	overlap	overlap	NOUN
bibechana-18385	37	10	between	between	ADP
bibechana-18385	37	11	an	an	DET
bibechana-18385	37	12	occupied	occupy	VERB
bibechana-18385	37	13	orbital	orbital	NOUN
bibechana-18385	37	14	with	with	ADP
bibechana-18385	37	15	another	another	DET
bibechana-18385	37	16	neighboring	neighboring	NOUN
bibechana-18385	37	17	electron	electron	NOUN
bibechana-18385	37	18	deficient	deficient	ADJ
bibechana-18385	37	19	orbital	orbital	NOUN
bibechana-18385	37	20	when	when	SCONJ
bibechana-18385	37	21	these	these	DET
bibechana-18385	37	22	orbitals	orbital	NOUN
bibechana-18385	37	23	are	be	AUX
bibechana-18385	37	24	properly	properly	ADV
bibechana-18385	37	25	oriented	orient	VERB
bibechana-18385	37	26	.	.	PUNCT
bibechana-18385	38	1	the	the	DET
bibechana-18385	38	2	most	most	ADV
bibechana-18385	38	3	important	important	ADJ
bibechana-18385	38	4	interaction	interaction	NOUN
bibechana-18385	38	5	between	between	ADP
bibechana-18385	38	6	‘	'	PUNCT
bibechana-18385	38	7	‘	'	PUNCT
bibechana-18385	38	8	filled	fill	VERB
bibechana-18385	38	9	’’	’'	PUNCT
bibechana-18385	38	10	(	(	PUNCT
bibechana-18385	38	11	donor	donor	NOUN
bibechana-18385	38	12	)	)	PUNCT
bibechana-18385	38	13	lewis	lewis	PROPN
bibechana-18385	38	14	type	type	NOUN
bibechana-18385	38	15	nbos	nbo	NOUN
bibechana-18385	38	16	and	and	CCONJ
bibechana-18385	38	17	‘	'	PUNCT
bibechana-18385	38	18	‘	'	PUNCT
bibechana-18385	38	19	empty	empty	ADJ
bibechana-18385	38	20	’’	’'	PUNCT
bibechana-18385	38	21	(	(	PUNCT
bibechana-18385	38	22	acceptor	acceptor	NOUN
bibechana-18385	38	23	)	)	PUNCT
bibechana-18385	38	24	non	non	PROPN
bibechana-18385	38	25	-	-	ADJ
bibechana-18385	38	26	lewis	lewis	ADJ
bibechana-18385	38	27	nbos	nbo	NOUN
bibechana-18385	38	28	are	be	AUX
bibechana-18385	38	29	reported	report	VERB
bibechana-18385	38	30	in	in	ADP
bibechana-18385	38	31	table	table	NOUN
bibechana-18385	38	32	1	1	NUM
bibechana-18385	38	33	.	.	PUNCT
bibechana-18385	39	1	a	a	DET
bibechana-18385	39	2	strong	strong	ADJ
bibechana-18385	39	3	intramolecular	intramolecular	ADJ
bibechana-18385	39	4	hyperconjugative	hyperconjugative	ADJ
bibechana-18385	39	5	interaction	interaction	NOUN
bibechana-18385	39	6	of	of	ADP
bibechana-18385	39	7	�	�	PROPN
bibechana-18385	39	8	electrons	electron	NOUN
bibechana-18385	39	9	occurs	occur	VERB
bibechana-18385	39	10	from	from	ADP
bibechana-18385	39	11	c1	c1	NOUN
bibechana-18385	39	12	-	-	PUNCT
bibechana-18385	39	13	c10	c10	VERB
bibechana-18385	39	14	to	to	ADP
bibechana-18385	39	15	the	the	DET
bibechana-18385	39	16	�	�	PROPN
bibechana-18385	39	17	*	*	PUNCT
bibechana-18385	39	18	(	(	PUNCT
bibechana-18385	39	19	c2	c2	PROPN
bibechana-18385	39	20	–	–	PUNCT
bibechana-18385	39	21	c4	c4	NOUN
bibechana-18385	39	22	)	)	PUNCT
bibechana-18385	39	23	and	and	CCONJ
bibechana-18385	39	24	�	�	PROPN
bibechana-18385	39	25	*	*	PROPN
bibechana-18385	39	26	(	(	PUNCT
bibechana-18385	39	27	c6	c6	PROPN
bibechana-18385	39	28	–	–	PUNCT
bibechana-18385	39	29	c8	c8	PROPN
bibechana-18385	39	30	)	)	PUNCT
bibechana-18385	39	31	bonds	bond	NOUN
bibechana-18385	39	32	of	of	ADP
bibechana-18385	39	33	the	the	DET
bibechana-18385	39	34	ring	ring	NOUN
bibechana-18385	39	35	r1	r1	NOUN
bibechana-18385	39	36	which	which	PRON
bibechana-18385	39	37	increase	increase	VERB
bibechana-18385	39	38	the	the	DET
bibechana-18385	39	39	electron	electron	NOUN
bibechana-18385	39	40	densities	density	NOUN
bibechana-18385	39	41	(	(	PUNCT
bibechana-18385	39	42	eds	ed	NOUN
bibechana-18385	39	43	)	)	PUNCT
bibechana-18385	39	44	(	(	PUNCT
bibechana-18385	39	45	0.31e	0.31e	NUM
bibechana-18385	39	46	and	and	CCONJ
bibechana-18385	39	47	0.32e	0.32e	NOUN
bibechana-18385	39	48	)	)	PUNCT
bibechana-18385	39	49	leading	lead	VERB
bibechana-18385	39	50	to	to	ADP
bibechana-18385	39	51	the	the	DET
bibechana-18385	39	52	stabilizations	stabilization	NOUN
bibechana-18385	39	53	of	of	ADP
bibechana-18385	39	54	20.07	20.07	NUM
bibechana-18385	39	55	and	and	CCONJ
bibechana-18385	39	56	16.82	16.82	NUM
bibechana-18385	39	57	kcal	kcal	NOUN
bibechana-18385	39	58	/	/	SYM
bibechana-18385	39	59	mol	mol	PROPN
bibechana-18385	39	60	,	,	PUNCT
bibechana-18385	39	61	respectively	respectively	ADV
bibechana-18385	39	62	.	.	PUNCT
bibechana-18385	40	1	another	another	DET
bibechana-18385	40	2	intermolecular	intermolecular	ADJ
bibechana-18385	40	3	bhawani	bhawani	PROPN
bibechana-18385	40	4	d.	d.	PROPN
bibechana-18385	40	5	joshi	joshi	PROPN
bibechana-18385	40	6	,	,	PUNCT
bibechana-18385	40	7	manoj	manoj	PROPN
bibechana-18385	40	8	k.	k.	PROPN
bibechana-18385	40	9	chaudhary/	chaudhary/	NUM
bibechana-18385	40	10	bibechana	bibechana	NOUN
bibechana-18385	40	11	15	15	NUM
bibechana-18385	40	12	(	(	PUNCT
bibechana-18385	40	13	2018	2018	NUM
bibechana-18385	40	14	)	)	PUNCT
bibechana-18385	40	15	131	131	NUM
bibechana-18385	40	16	-	-	SYM
bibechana-18385	40	17	139	139	NUM
bibechana-18385	40	18	:	:	PUNCT
bibechana-18385	40	19	rcost	rcost	NOUN
bibechana-18385	40	20	p.133	p.133	NOUN
bibechana-18385	40	21	hyperconjugative	hyperconjugative	ADJ
bibechana-18385	40	22	interaction	interaction	NOUN
bibechana-18385	40	23	of	of	ADP
bibechana-18385	40	24	�	�	PROPN
bibechana-18385	40	25	electrons	electron	NOUN
bibechana-18385	40	26	occurs	occur	VERB
bibechana-18385	40	27	from	from	ADP
bibechana-18385	40	28	c17	c17	NOUN
bibechana-18385	40	29	-	-	PUNCT
bibechana-18385	40	30	c19	c19	NOUN
bibechana-18385	40	31	to	to	ADP
bibechana-18385	40	32	the	the	DET
bibechana-18385	40	33	�	�	PROPN
bibechana-18385	40	34	*	*	PUNCT
bibechana-18385	40	35	(	(	PUNCT
bibechana-18385	40	36	c11	c11	NOUN
bibechana-18385	40	37	–	–	PUNCT
bibechana-18385	40	38	c12	c12	PROPN
bibechana-18385	40	39	)	)	PUNCT
bibechana-18385	40	40	and	and	CCONJ
bibechana-18385	40	41	�	�	PROPN
bibechana-18385	40	42	*	*	NOUN
bibechana-18385	40	43	(	(	PUNCT
bibechana-18385	40	44	c13	c13	PROPN
bibechana-18385	40	45	–	–	PUNCT
bibechana-18385	40	46	c15	c15	NOUN
bibechana-18385	40	47	)	)	PUNCT
bibechana-18385	40	48	bonds	bond	NOUN
bibechana-18385	40	49	of	of	ADP
bibechana-18385	40	50	the	the	DET
bibechana-18385	40	51	ring	ring	NOUN
bibechana-18385	40	52	r3	r3	PROPN
bibechana-18385	40	53	which	which	PRON
bibechana-18385	40	54	increase	increase	VERB
bibechana-18385	40	55	the	the	DET
bibechana-18385	40	56	eds	ed	NOUN
bibechana-18385	40	57	(	(	PUNCT
bibechana-18385	40	58	0.43e	0.43e	NOUN
bibechana-18385	40	59	and	and	CCONJ
bibechana-18385	40	60	0.31e	0.31e	NUM
bibechana-18385	40	61	)	)	PUNCT
bibechana-18385	40	62	leading	lead	VERB
bibechana-18385	40	63	to	to	ADP
bibechana-18385	40	64	the	the	DET
bibechana-18385	40	65	stabilizations	stabilization	NOUN
bibechana-18385	40	66	23.89	23.89	NUM
bibechana-18385	40	67	kcal	kcal	NOUN
bibechana-18385	40	68	/	/	SYM
bibechana-18385	40	69	mol	mol	PROPN
bibechana-18385	40	70	and	and	CCONJ
bibechana-18385	40	71	18.92	18.92	NUM
bibechana-18385	40	72	kcal	kcal	PROPN
bibechana-18385	40	73	/	/	SYM
bibechana-18385	40	74	mol	mol	PROPN
bibechana-18385	40	75	,	,	PUNCT
bibechana-18385	40	76	respectively	respectively	ADV
bibechana-18385	40	77	.	.	PUNCT
bibechana-18385	41	1	the	the	DET
bibechana-18385	41	2	enhanced	enhance	VERB
bibechana-18385	41	3	interaction	interaction	NOUN
bibechana-18385	41	4	table	table	NOUN
bibechana-18385	41	5	1	1	NUM
bibechana-18385	41	6	.	.	PUNCT
bibechana-18385	41	7	second	second	ADJ
bibechana-18385	41	8	order	order	NOUN
bibechana-18385	41	9	perturbation	perturbation	NOUN
bibechana-18385	41	10	theory	theory	NOUN
bibechana-18385	41	11	analysis	analysis	NOUN
bibechana-18385	41	12	of	of	ADP
bibechana-18385	41	13	fock	fock	ADJ
bibechana-18385	41	14	matrix	matrix	NOUN
bibechana-18385	41	15	in	in	ADP
bibechana-18385	41	16	nbo	nbo	PROPN
bibechana-18385	41	17	basis	basis	NOUN
bibechana-18385	41	18	.	.	PUNCT
bibechana-18385	42	1	donor	donor	NOUN
bibechana-18385	42	2	nbo	nbo	PROPN
bibechana-18385	42	3	(	(	PUNCT
bibechana-18385	42	4	i	i	NOUN
bibechana-18385	42	5	)	)	PUNCT
bibechana-18385	42	6	ed	ed	NOUN
bibechana-18385	42	7	/	/	SYM
bibechana-18385	42	8	e	e	PROPN
bibechana-18385	42	9	acceptor	acceptor	PROPN
bibechana-18385	42	10	nbo	nbo	PROPN
bibechana-18385	42	11	(	(	PUNCT
bibechana-18385	42	12	j	j	PROPN
bibechana-18385	42	13	)	)	PUNCT
bibechana-18385	42	14	ed	ed	NOUN
bibechana-18385	42	15	/	/	SYM
bibechana-18385	42	16	e	e	NOUN
bibechana-18385	42	17	e(2	e(2	NOUN
bibechana-18385	42	18	)	)	PUNCT
bibechana-18385	42	19	kcal	kcal	NOUN
bibechana-18385	42	20	/	/	SYM
bibechana-18385	42	21	mol	mol	ADP
bibechana-18385	42	22	e(j)-e(i	e(j)-e(i	PROPN
bibechana-18385	42	23	)	)	PUNCT
bibechana-18385	42	24	a.u	a.u	PROPN
bibechana-18385	42	25	.	.	PROPN
bibechana-18385	43	1	f(i	f(i	NUM
bibechana-18385	43	2	,	,	PUNCT
bibechana-18385	43	3	j)a.u	j)a.u	NOUN
bibechana-18385	43	4	.	.	PUNCT
bibechana-18385	44	1	�	�	PROPN
bibechana-18385	44	2	(	(	PUNCT
bibechana-18385	44	3	c13	c13	NOUN
bibechana-18385	44	4	-	-	PUNCT
bibechana-18385	44	5	h14	h14	NOUN
bibechana-18385	44	6	)	)	PUNCT
bibechana-18385	44	7	1.97771	1.97771	NUM
bibechana-18385	44	8	�	�	NOUN
bibechana-18385	44	9	*	*	SYM
bibechana-18385	44	10	(	(	PUNCT
bibechana-18385	44	11	c11	c11	NOUN
bibechana-18385	44	12	-	-	PUNCT
bibechana-18385	44	13	c12	c12	NOUN
bibechana-18385	44	14	)	)	PUNCT
bibechana-18385	44	15	0.03212	0.03212	NUM
bibechana-18385	44	16	5.08	5.08	NUM
bibechana-18385	44	17	1.06	1.06	NUM
bibechana-18385	44	18	0.065	0.065	NUM
bibechana-18385	44	19	�	�	PROPN
bibechana-18385	44	20	(	(	PUNCT
bibechana-18385	44	21	c19	c19	NOUN
bibechana-18385	44	22	-	-	PUNCT
bibechana-18385	44	23	h20	h20	PROPN
bibechana-18385	44	24	)	)	PUNCT
bibechana-18385	44	25	1.97695	1.97695	NUM
bibechana-18385	44	26	�	�	NOUN
bibechana-18385	44	27	*	*	SYM
bibechana-18385	44	28	(	(	PUNCT
bibechana-18385	44	29	c11	c11	NOUN
bibechana-18385	44	30	-	-	PUNCT
bibechana-18385	44	31	c12	c12	NOUN
bibechana-18385	44	32	)	)	PUNCT
bibechana-18385	44	33	0.03212	0.03212	NUM
bibechana-18385	44	34	5.03	5.03	NUM
bibechana-18385	44	35	1.05	1.05	NUM
bibechana-18385	44	36	40.065	40.065	NUM
bibechana-18385	44	37	�	�	SYM
bibechana-18385	44	38	*	*	SYM
bibechana-18385	44	39	(	(	PUNCT
bibechana-18385	44	40	s28	s28	NOUN
bibechana-18385	44	41	-	-	PUNCT
bibechana-18385	44	42	o29	o29	NOUN
bibechana-18385	44	43	)	)	PUNCT
bibechana-18385	44	44	0.13706	0.13706	NUM
bibechana-18385	44	45	�	�	PROPN
bibechana-18385	44	46	*	*	SYM
bibechana-18385	44	47	(	(	PUNCT
bibechana-18385	44	48	s28	s28	NOUN
bibechana-18385	44	49	-	-	PUNCT
bibechana-18385	44	50	o30	o30	NOUN
bibechana-18385	44	51	)	)	PUNCT
bibechana-18385	44	52	0.15311	0.15311	NUM
bibechana-18385	44	53	58.58	58.58	NUM
bibechana-18385	44	54	0.01	0.01	NUM
bibechana-18385	44	55	0.069	0.069	NUM
bibechana-18385	44	56	π(c1	π(c1	PROPN
bibechana-18385	44	57	-	-	PUNCT
bibechana-18385	44	58	c10	c10	VERB
bibechana-18385	44	59	)	)	PUNCT
bibechana-18385	44	60	1.67702	1.67702	NUM
bibechana-18385	44	61	π*(c2	π*(c2	NOUN
bibechana-18385	44	62	-	-	PUNCT
bibechana-18385	44	63	c4	c4	NOUN
bibechana-18385	44	64	)	)	PUNCT
bibechana-18385	44	65	0.30670	0.30670	NUM
bibechana-18385	44	66	20.07	20.07	NUM
bibechana-18385	44	67	0.30	0.30	NUM
bibechana-18385	44	68	0.070	0.070	NUM
bibechana-18385	44	69	π*(c6	π*(c6	PROPN
bibechana-18385	44	70	-	-	PROPN
bibechana-18385	44	71	c8	c8	PROPN
bibechana-18385	44	72	)	)	PUNCT
bibechana-18385	44	73	0.32028	0.32028	NUM
bibechana-18385	44	74	16.82	16.82	NUM
bibechana-18385	44	75	0.30	0.30	NUM
bibechana-18385	44	76	0.063	0.063	NUM
bibechana-18385	44	77	π(c2	π(c2	NOUN
bibechana-18385	44	78	-	-	PUNCT
bibechana-18385	44	79	c4	c4	NOUN
bibechana-18385	44	80	)	)	PUNCT
bibechana-18385	44	81	1.64157	1.64157	NUM
bibechana-18385	44	82	π*(c1	π*(c1	PROPN
bibechana-18385	44	83	-	-	PUNCT
bibechana-18385	44	84	c10	c10	VERB
bibechana-18385	44	85	)	)	PUNCT
bibechana-18385	44	86	0.43019	0.43019	NUM
bibechana-18385	44	87	20.47	20.47	NUM
bibechana-18385	44	88	0.26	0.26	NUM
bibechana-18385	44	89	0.067	0.067	NUM
bibechana-18385	44	90	π*(c6	π*(c6	PROPN
bibechana-18385	44	91	-	-	PROPN
bibechana-18385	44	92	c8	c8	PROPN
bibechana-18385	44	93	)	)	PUNCT
bibechana-18385	44	94	0.32028	0.32028	NUM
bibechana-18385	44	95	21.67	21.67	NUM
bibechana-18385	44	96	0.28	0.28	NUM
bibechana-18385	44	97	0.070	0.070	NUM
bibechana-18385	44	98	π(c6	π(c6	PROPN
bibechana-18385	44	99	-	-	PUNCT
bibechana-18385	44	100	c8	c8	NOUN
bibechana-18385	44	101	)	)	PUNCT
bibechana-18385	44	102	1.65806	1.65806	NUM
bibechana-18385	44	103	π*(c1	π*(c1	NOUN
bibechana-18385	44	104	-	-	PUNCT
bibechana-18385	44	105	c10	c10	VERB
bibechana-18385	44	106	)	)	PUNCT
bibechana-18385	44	107	0.43019	0.43019	NUM
bibechana-18385	44	108	23.09	23.09	NUM
bibechana-18385	44	109	0.27	0.27	NUM
bibechana-18385	44	110	0.072	0.072	NUM
bibechana-18385	44	111	π*(c2	π*(c2	NOUN
bibechana-18385	44	112	-	-	PUNCT
bibechana-18385	44	113	c4	c4	NOUN
bibechana-18385	44	114	)	)	PUNCT
bibechana-18385	44	115	0.30670	0.30670	NUM
bibechana-18385	44	116	18.10	18.10	NUM
bibechana-18385	44	117	0.29	0.29	NUM
bibechana-18385	44	118	0.065	0.065	NUM
bibechana-18385	44	119	π(c11	π(c11	NOUN
bibechana-18385	44	120	-	-	PUNCT
bibechana-18385	44	121	c12	c12	NOUN
bibechana-18385	44	122	)	)	PUNCT
bibechana-18385	44	123	1.68646	1.68646	NUM
bibechana-18385	44	124	π*(c13	π*(c13	PROPN
bibechana-18385	44	125	-	-	PUNCT
bibechana-18385	44	126	c15	c15	NOUN
bibechana-18385	44	127	)	)	PUNCT
bibechana-18385	44	128	0.30962	0.30962	NUM
bibechana-18385	44	129	20.12	20.12	NUM
bibechana-18385	44	130	0.30	0.30	NUM
bibechana-18385	44	131	0.070	0.070	NUM
bibechana-18385	44	132	π*(c17	π*(c17	NOUN
bibechana-18385	44	133	-	-	PUNCT
bibechana-18385	44	134	c19	c19	NOUN
bibechana-18385	44	135	)	)	PUNCT
bibechana-18385	44	136	0.30712	0.30712	NUM
bibechana-18385	44	137	16.33	16.33	NUM
bibechana-18385	44	138	0.31	0.31	NUM
bibechana-18385	44	139	0.063	0.063	NUM
bibechana-18385	44	140	π(c13	π(c13	NOUN
bibechana-18385	44	141	-	-	PUNCT
bibechana-18385	44	142	c15	c15	NOUN
bibechana-18385	44	143	)	)	PUNCT
bibechana-18385	44	144	1.64879	1.64879	NUM
bibechana-18385	44	145	π*(c11	π*(c11	PROPN
bibechana-18385	44	146	-	-	PUNCT
bibechana-18385	44	147	c12	c12	PROPN
bibechana-18385	44	148	)	)	PUNCT
bibechana-18385	44	149	0.43279	0.43279	NUM
bibechana-18385	44	150	20.21	20.21	NUM
bibechana-18385	44	151	0.26	0.26	NUM
bibechana-18385	44	152	0.066	0.066	NUM
bibechana-18385	44	153	π*(c17	π*(c17	NOUN
bibechana-18385	44	154	-	-	PUNCT
bibechana-18385	44	155	c19	c19	NOUN
bibechana-18385	44	156	)	)	PUNCT
bibechana-18385	44	157	0.30712	0.30712	NUM
bibechana-18385	44	158	20.51	20.51	NUM
bibechana-18385	44	159	0.29	0.29	NUM
bibechana-18385	44	160	0.069	0.069	NUM
bibechana-18385	44	161	π(c17	π(c17	NOUN
bibechana-18385	44	162	-	-	PUNCT
bibechana-18385	44	163	c19	c19	NOUN
bibechana-18385	44	164	)	)	PUNCT
bibechana-18385	44	165	1.64130	1.64130	NUM
bibechana-18385	44	166	π*(c11	π*(c11	PROPN
bibechana-18385	44	167	-	-	PUNCT
bibechana-18385	44	168	c12	c12	PROPN
bibechana-18385	44	169	)	)	PUNCT
bibechana-18385	44	170	0.43279	0.43279	NUM
bibechana-18385	44	171	23.89	23.89	NUM
bibechana-18385	44	172	0.26	0.26	NUM
bibechana-18385	44	173	0.072	0.072	NUM
bibechana-18385	44	174	π*(c13	π*(c13	NOUN
bibechana-18385	44	175	-	-	PUNCT
bibechana-18385	44	176	c15	c15	NOUN
bibechana-18385	44	177	)	)	PUNCT
bibechana-18385	44	178	0.30962	0.30962	NUM
bibechana-18385	44	179	18.92	18.92	NUM
bibechana-18385	44	180	0.28	0.28	NUM
bibechana-18385	44	181	0.066	0.066	NUM
bibechana-18385	44	182	lp(1)n26	lp(1)n26	PROPN
bibechana-18385	44	183	1.68652	1.68652	NUM
bibechana-18385	44	184	π*(c1	π*(c1	NOUN
bibechana-18385	44	185	-	-	PUNCT
bibechana-18385	44	186	c10	c10	VERB
bibechana-18385	44	187	)	)	PUNCT
bibechana-18385	44	188	0.43019	0.43019	NUM
bibechana-18385	44	189	14.67	14.67	NUM
bibechana-18385	44	190	0.27	0.27	NUM
bibechana-18385	44	191	0.058	0.058	NUM
bibechana-18385	44	192	π*(c11	π*(c11	PROPN
bibechana-18385	44	193	-	-	PUNCT
bibechana-18385	44	194	c12	c12	PROPN
bibechana-18385	44	195	)	)	PUNCT
bibechana-18385	44	196	0.43279	0.43279	NUM
bibechana-18385	44	197	14.63	14.63	NUM
bibechana-18385	44	198	0.27	0.27	NUM
bibechana-18385	44	199	0.058	0.058	NUM
bibechana-18385	44	200	π*(c21	π*(c21	NOUN
bibechana-18385	44	201	-	-	PUNCT
bibechana-18385	44	202	o27	o27	NUM
bibechana-18385	44	203	)	)	PUNCT
bibechana-18385	44	204	0.01587	0.01587	NUM
bibechana-18385	44	205	41.57	41.57	NUM
bibechana-18385	44	206	0.30	0.30	NUM
bibechana-18385	44	207	0.102	0.102	NUM
bibechana-18385	45	1	lp(2)o27	lp(2)o27	PROPN
bibechana-18385	45	2	1.85623	1.85623	NUM
bibechana-18385	45	3	�	�	NOUN
bibechana-18385	45	4	*	*	PUNCT
bibechana-18385	45	5	(	(	PUNCT
bibechana-18385	45	6	c21	c21	NOUN
bibechana-18385	45	7	-	-	PUNCT
bibechana-18385	45	8	c22	c22	NOUN
bibechana-18385	45	9	)	)	PUNCT
bibechana-18385	45	10	0.05125	0.05125	NUM
bibechana-18385	45	11	18.85	18.85	NUM
bibechana-18385	45	12	0.62	0.62	NUM
bibechana-18385	45	13	0.099	0.099	NUM
bibechana-18385	45	14	�	�	NOUN
bibechana-18385	45	15	*	*	SYM
bibechana-18385	45	16	(	(	PUNCT
bibechana-18385	45	17	c21	c21	NOUN
bibechana-18385	45	18	-	-	PUNCT
bibechana-18385	45	19	n26	n26	PROPN
bibechana-18385	45	20	)	)	PUNCT
bibechana-18385	45	21	0.10121	0.10121	NUM
bibechana-18385	45	22	30.04	30.04	NUM
bibechana-18385	45	23	0.64	0.64	NUM
bibechana-18385	45	24	0.126	0.126	NUM
bibechana-18385	45	25	lp(2)o29	lp(2)o29	PROPN
bibechana-18385	45	26	1.80719	1.80719	NUM
bibechana-18385	45	27	�	�	NOUN
bibechana-18385	45	28	*	*	SYM
bibechana-18385	45	29	(	(	PUNCT
bibechana-18385	45	30	c1	c1	PROPN
bibechana-18385	45	31	-	-	PUNCT
bibechana-18385	45	32	s28	s28	PROPN
bibechana-18385	45	33	)	)	PUNCT
bibechana-18385	45	34	0.20940	0.20940	NUM
bibechana-18385	45	35	12.01	12.01	NUM
bibechana-18385	45	36	0.45	0.45	NUM
bibechana-18385	45	37	0.066	0.066	NUM
bibechana-18385	45	38	�	�	NOUN
bibechana-18385	45	39	*	*	SYM
bibechana-18385	45	40	(	(	PUNCT
bibechana-18385	45	41	c12	c12	PROPN
bibechana-18385	45	42	-	-	PUNCT
bibechana-18385	45	43	s28	s28	PROPN
bibechana-18385	45	44	)	)	PUNCT
bibechana-18385	45	45	0.20601	0.20601	NUM
bibechana-18385	45	46	17.58	17.58	NUM
bibechana-18385	45	47	0.45	0.45	NUM
bibechana-18385	45	48	0.079	0.079	NUM
bibechana-18385	45	49	lp(3)o29	lp(3)o29	PROPN
bibechana-18385	45	50	1.79804	1.79804	NUM
bibechana-18385	45	51	�	�	NOUN
bibechana-18385	45	52	*	*	SYM
bibechana-18385	45	53	(	(	PUNCT
bibechana-18385	45	54	s28	s28	NOUN
bibechana-18385	45	55	-	-	PUNCT
bibechana-18385	45	56	o30	o30	NOUN
bibechana-18385	45	57	)	)	PUNCT
bibechana-18385	45	58	0.15311	0.15311	NUM
bibechana-18385	45	59	21.15	21.15	NUM
bibechana-18385	45	60	0.57	0.57	NUM
bibechana-18385	45	61	0.100	0.100	NUM
bibechana-18385	45	62	lp(2)o30	lp(2)o30	PROPN
bibechana-18385	45	63	1.81031	1.81031	NUM
bibechana-18385	45	64	�	�	NOUN
bibechana-18385	45	65	*	*	SYM
bibechana-18385	45	66	(	(	PUNCT
bibechana-18385	45	67	c1	c1	PROPN
bibechana-18385	45	68	-	-	PUNCT
bibechana-18385	45	69	s28	s28	PROPN
bibechana-18385	45	70	)	)	PUNCT
bibechana-18385	45	71	0.20940	0.20940	NUM
bibechana-18385	45	72	14.23	14.23	NUM
bibechana-18385	45	73	0.44	0.44	NUM
bibechana-18385	45	74	0.071	0.071	NUM
bibechana-18385	45	75	�	�	PROPN
bibechana-18385	45	76	*	*	SYM
bibechana-18385	45	77	(	(	PUNCT
bibechana-18385	45	78	c12	c12	PROPN
bibechana-18385	45	79	-	-	PUNCT
bibechana-18385	45	80	s28	s28	PROPN
bibechana-18385	45	81	)	)	PUNCT
bibechana-18385	45	82	0.20601	0.20601	NUM
bibechana-18385	45	83	14.70	14.70	NUM
bibechana-18385	45	84	0.44	0.44	NUM
bibechana-18385	45	85	0.072	0.072	NUM
bibechana-18385	45	86	lp(3)o30	lp(3)o30	PROPN
bibechana-18385	45	87	1.77862	1.77862	NUM
bibechana-18385	45	88	�	�	NOUN
bibechana-18385	45	89	*	*	SYM
bibechana-18385	45	90	(	(	PUNCT
bibechana-18385	45	91	s28	s28	NOUN
bibechana-18385	45	92	-	-	PUNCT
bibechana-18385	45	93	o29	o29	NOUN
bibechana-18385	45	94	)	)	PUNCT
bibechana-18385	45	95	0.13706	0.13706	NUM
bibechana-18385	45	96	21.63	21.63	NUM
bibechana-18385	45	97	0.55	0.55	NUM
bibechana-18385	45	98	0.100	0.100	NUM
bibechana-18385	45	99	π*(c1	π*(c1	NOUN
bibechana-18385	45	100	-	-	PUNCT
bibechana-18385	45	101	c10	c10	VERB
bibechana-18385	45	102	)	)	PUNCT
bibechana-18385	45	103	0.43019	0.43019	NUM
bibechana-18385	45	104	π*(c2	π*(c2	NOUN
bibechana-18385	45	105	-	-	PUNCT
bibechana-18385	45	106	c4	c4	NOUN
bibechana-18385	45	107	)	)	PUNCT
bibechana-18385	45	108	0.30670	0.30670	NUM
bibechana-18385	45	109	149.22	149.22	NUM
bibechana-18385	45	110	0.02	0.02	NUM
bibechana-18385	45	111	0.081	0.081	NUM
bibechana-18385	45	112	π*(c6	π*(c6	PROPN
bibechana-18385	45	113	-	-	PROPN
bibechana-18385	45	114	c8	c8	PROPN
bibechana-18385	45	115	)	)	PUNCT
bibechana-18385	45	116	0.32028	0.32028	NUM
bibechana-18385	45	117	195.11	195.11	NUM
bibechana-18385	45	118	0.02	0.02	NUM
bibechana-18385	45	119	0.083	0.083	NUM
bibechana-18385	45	120	π*(c11	π*(c11	PROPN
bibechana-18385	45	121	-	-	PUNCT
bibechana-18385	45	122	c12	c12	PROPN
bibechana-18385	45	123	)	)	PUNCT
bibechana-18385	45	124	0.43279	0.43279	NUM
bibechana-18385	45	125	π*(c13	π*(c13	NOUN
bibechana-18385	45	126	-	-	PUNCT
bibechana-18385	45	127	c15	c15	NOUN
bibechana-18385	45	128	)	)	PUNCT
bibechana-18385	45	129	0.30962	0.30962	NUM
bibechana-18385	45	130	138.07	138.07	NUM
bibechana-18385	45	131	0.02	0.02	NUM
bibechana-18385	45	132	0.080	0.080	NUM
bibechana-18385	45	133	π*(c17	π*(c17	PROPN
bibechana-18385	45	134	-	-	PUNCT
bibechana-18385	45	135	c19	c19	NOUN
bibechana-18385	45	136	)	)	PUNCT
bibechana-18385	45	137	0.30712	0.30712	NUM
bibechana-18385	45	138	135.91	135.91	NUM
bibechana-18385	45	139	0.02	0.02	NUM
bibechana-18385	45	140	0.084	0.084	NUM
bibechana-18385	45	141	e(2	e(2	NOUN
bibechana-18385	45	142	)	)	PUNCT
bibechana-18385	45	143	means	mean	VERB
bibechana-18385	45	144	energy	energy	NOUN
bibechana-18385	45	145	of	of	ADP
bibechana-18385	45	146	hyper	hyper	ADJ
bibechana-18385	45	147	conjugative	conjugative	NOUN
bibechana-18385	45	148	interaction	interaction	NOUN
bibechana-18385	45	149	(	(	PUNCT
bibechana-18385	45	150	stabilization	stabilization	NOUN
bibechana-18385	45	151	energy	energy	NOUN
bibechana-18385	45	152	)	)	PUNCT
bibechana-18385	45	153	.	.	PUNCT
bibechana-18385	46	1	e(i)-e(j	e(i)-e(j	PROPN
bibechana-18385	46	2	)	)	PUNCT
bibechana-18385	46	3	is	be	AUX
bibechana-18385	46	4	the	the	DET
bibechana-18385	46	5	energy	energy	NOUN
bibechana-18385	46	6	difference	difference	NOUN
bibechana-18385	46	7	between	between	ADP
bibechana-18385	46	8	donor	donor	NOUN
bibechana-18385	46	9	(	(	PUNCT
bibechana-18385	46	10	i	i	NOUN
bibechana-18385	46	11	)	)	PUNCT
bibechana-18385	46	12	and	and	CCONJ
bibechana-18385	46	13	acceptor	acceptor	NOUN
bibechana-18385	46	14	(	(	PUNCT
bibechana-18385	46	15	j	j	PROPN
bibechana-18385	46	16	)	)	PUNCT
bibechana-18385	46	17	nbo	nbo	PROPN
bibechana-18385	46	18	orbitals	orbital	NOUN
bibechana-18385	46	19	.	.	PUNCT
bibechana-18385	47	1	f(i	f(i	NUM
bibechana-18385	47	2	,	,	PUNCT
bibechana-18385	47	3	j	j	PROPN
bibechana-18385	47	4	)	)	PUNCT
bibechana-18385	47	5	is	be	AUX
bibechana-18385	47	6	the	the	DET
bibechana-18385	47	7	fock	fock	ADJ
bibechana-18385	47	8	matrix	matrix	NOUN
bibechana-18385	47	9	element	element	NOUN
bibechana-18385	47	10	between	between	ADP
bibechana-18385	47	11	i	i	PROPN
bibechana-18385	47	12	and	and	CCONJ
bibechana-18385	47	13	j	j	PROPN
bibechana-18385	47	14	nbo	nbo	PROPN
bibechana-18385	47	15	orbitals	orbital	NOUN
bibechana-18385	47	16	.	.	PUNCT
bibechana-18385	48	1	π*(c1	π*(c1	NOUN
bibechana-18385	48	2	-	-	PUNCT
bibechana-18385	48	3	c10	c10	VERB
bibechana-18385	48	4	)	)	PUNCT
bibechana-18385	48	5	further	far	ADV
bibechana-18385	48	6	conjugate	conjugate	VERB
bibechana-18385	48	7	with	with	ADP
bibechana-18385	48	8	the	the	DET
bibechana-18385	48	9	nbos	nbos	ADJ
bibechana-18385	48	10	π*(c2	π*(c2	NOUN
bibechana-18385	48	11	-	-	PUNCT
bibechana-18385	48	12	c4	c4	NOUN
bibechana-18385	48	13	)	)	PUNCT
bibechana-18385	48	14	and	and	CCONJ
bibechana-18385	48	15	π*(c6	π*(c6	PROPN
bibechana-18385	48	16	-	-	PROPN
bibechana-18385	48	17	c8	c8	NOUN
bibechana-18385	48	18	)	)	PUNCT
bibechana-18385	48	19	resulting	result	VERB
bibechana-18385	48	20	to	to	ADP
bibechana-18385	48	21	high	high	ADJ
bibechana-18385	48	22	stabilizations	stabilization	NOUN
bibechana-18385	48	23	149.22	149.22	NUM
bibechana-18385	48	24	and	and	CCONJ
bibechana-18385	48	25	195.11	195.11	NUM
bibechana-18385	48	26	kcal	kcal	NOUN
bibechana-18385	48	27	/	/	SYM
bibechana-18385	48	28	mol	mol	PROPN
bibechana-18385	48	29	.	.	PROPN
bibechana-18385	49	1	similarly	similarly	ADV
bibechana-18385	49	2	,	,	PUNCT
bibechana-18385	49	3	the	the	DET
bibechana-18385	49	4	enhanced	enhanced	ADJ
bibechana-18385	49	5	interaction	interaction	NOUN
bibechana-18385	49	6	π*(c11	π*(c11	PROPN
bibechana-18385	49	7	-	-	PUNCT
bibechana-18385	49	8	c12	c12	NOUN
bibechana-18385	49	9	)	)	PUNCT
bibechana-18385	49	10	further	further	ADJ
bibechana-18385	49	11	conjugates	conjugate	NOUN
bibechana-18385	49	12	with	with	ADP
bibechana-18385	49	13	the	the	DET
bibechana-18385	49	14	nbos	nbos	ADJ
bibechana-18385	49	15	π*(c13	π*(c13	PROPN
bibechana-18385	49	16	-	-	PUNCT
bibechana-18385	49	17	c15	c15	NOUN
bibechana-18385	49	18	)	)	PUNCT
bibechana-18385	49	19	and	and	CCONJ
bibechana-18385	49	20	π*(c17	π*(c17	NOUN
bibechana-18385	49	21	-	-	PUNCT
bibechana-18385	49	22	c19	c19	NOUN
bibechana-18385	49	23	)	)	PUNCT
bibechana-18385	49	24	leading	lead	VERB
bibechana-18385	49	25	to	to	ADP
bibechana-18385	49	26	the	the	DET
bibechana-18385	49	27	high	high	ADJ
bibechana-18385	49	28	stabilizations	stabilization	NOUN
bibechana-18385	49	29	138.07	138.07	NUM
bibechana-18385	49	30	and	and	CCONJ
bibechana-18385	49	31	135.91	135.91	NUM
bibechana-18385	49	32	kcal	kcal	ADJ
bibechana-18385	49	33	/	/	SYM
bibechana-18385	49	34	mole	mole	NOUN
bibechana-18385	49	35	,	,	PUNCT
bibechana-18385	49	36	respectively	respectively	ADV
bibechana-18385	49	37	.	.	PUNCT
bibechana-18385	50	1	further	far	ADV
bibechana-18385	50	2	,	,	PUNCT
bibechana-18385	50	3	the	the	DET
bibechana-18385	50	4	other	other	ADJ
bibechana-18385	50	5	significant	significant	ADJ
bibechana-18385	50	6	hyperconjugative	hyperconjugative	ADJ
bibechana-18385	50	7	interactions	interaction	NOUN
bibechana-18385	50	8	of	of	ADP
bibechana-18385	50	9	π	π	PROPN
bibechana-18385	50	10	electrons	electron	NOUN
bibechana-18385	50	11	in	in	ADP
bibechana-18385	50	12	the	the	DET
bibechana-18385	50	13	molecular	molecular	ADJ
bibechana-18385	50	14	system	system	NOUN
bibechana-18385	50	15	are	be	AUX
bibechana-18385	50	16	from	from	ADP
bibechana-18385	50	17	π(c2	π(c2	NOUN
bibechana-18385	50	18	-	-	PUNCT
bibechana-18385	50	19	c4	c4	NOUN
bibechana-18385	50	20	)	)	PUNCT
bibechana-18385	50	21	to	to	ADP
bibechana-18385	50	22	π*(c1	π*(c1	NOUN
bibechana-18385	50	23	-	-	PUNCT
bibechana-18385	50	24	c10	c10	VERB
bibechana-18385	50	25	)	)	PUNCT
bibechana-18385	50	26	/	/	SYM
bibechana-18385	51	1	π*(c6	π*(c6	PROPN
bibechana-18385	51	2	-	-	NOUN
bibechana-18385	51	3	c8	c8	NOUN
bibechana-18385	51	4	)	)	PUNCT
bibechana-18385	51	5	leading	lead	VERB
bibechana-18385	51	6	energies	energy	NOUN
bibechana-18385	51	7	20.47	20.47	NUM
bibechana-18385	51	8	/	/	SYM
bibechana-18385	51	9	21.67	21.67	NUM
bibechana-18385	51	10	kcal	kcal	NOUN
bibechana-18385	51	11	/	/	SYM
bibechana-18385	51	12	mol	mol	PROPN
bibechana-18385	51	13	,	,	PUNCT
bibechana-18385	51	14	and	and	CCONJ
bibechana-18385	51	15	from	from	ADP
bibechana-18385	51	16	π(c13	π(c13	NOUN
bibechana-18385	51	17	-	-	PUNCT
bibechana-18385	51	18	c15	c15	NOUN
bibechana-18385	51	19	)	)	PUNCT
bibechana-18385	51	20	to	to	ADP
bibechana-18385	51	21	π*(c11	π*(c11	PROPN
bibechana-18385	51	22	-	-	PUNCT
bibechana-18385	51	23	c12	c12	PROPN
bibechana-18385	51	24	)	)	PUNCT
bibechana-18385	51	25	/π*(c17	/π*(c17	NOUN
bibechana-18385	51	26	-	-	PUNCT
bibechana-18385	51	27	c19	c19	NOUN
bibechana-18385	51	28	)	)	PUNCT
bibechana-18385	51	29	leading	lead	VERB
bibechana-18385	51	30	energies	energy	NOUN
bibechana-18385	51	31	20.21	20.21	NUM
bibechana-18385	51	32	/	/	SYM
bibechana-18385	51	33	20.51	20.51	NUM
bibechana-18385	51	34	kcal	kcal	NOUN
bibechana-18385	51	35	/	/	SYM
bibechana-18385	51	36	mol	mol	PROPN
bibechana-18385	51	37	,	,	PUNCT
bibechana-18385	51	38	respectively	respectively	ADV
bibechana-18385	51	39	.	.	PUNCT
bibechana-18385	52	1	delocalization	delocalization	NOUN
bibechana-18385	52	2	of	of	ADP
bibechana-18385	52	3	lone	lone	ADJ
bibechana-18385	52	4	pair	pair	NOUN
bibechana-18385	52	5	electron	electron	NOUN
bibechana-18385	52	6	is	be	AUX
bibechana-18385	52	7	otherwise	otherwise	ADV
bibechana-18385	52	8	related	relate	VERB
bibechana-18385	52	9	to	to	ADP
bibechana-18385	52	10	the	the	DET
bibechana-18385	52	11	resonance	resonance	NOUN
bibechana-18385	52	12	interaction	interaction	NOUN
bibechana-18385	52	13	in	in	ADP
bibechana-18385	52	14	a	a	DET
bibechana-18385	52	15	molecular	molecular	ADJ
bibechana-18385	52	16	system	system	NOUN
bibechana-18385	52	17	.	.	PUNCT
bibechana-18385	53	1	in	in	ADP
bibechana-18385	53	2	this	this	DET
bibechana-18385	53	3	molecule	molecule	NOUN
bibechana-18385	53	4	,	,	PUNCT
bibechana-18385	53	5	the	the	DET
bibechana-18385	53	6	main	main	ADJ
bibechana-18385	53	7	lone	lone	ADJ
bibechana-18385	53	8	pair	pair	NOUN
bibechana-18385	53	9	electron	electron	NOUN
bibechana-18385	53	10	donation	donation	NOUN
bibechana-18385	53	11	are	be	AUX
bibechana-18385	53	12	from	from	ADP
bibechana-18385	53	13	lp(1	lp(1	PROPN
bibechana-18385	53	14	)	)	PUNCT
bibechana-18385	53	15	n26	n26	NOUN
bibechana-18385	53	16	to	to	ADP
bibechana-18385	53	17	the	the	DET
bibechana-18385	53	18	antibonding	antibonde	VERB
bibechana-18385	53	19	acceptor	acceptor	NOUN
bibechana-18385	53	20	π*(c21	π*(c21	NOUN
bibechana-18385	53	21	-	-	PUNCT
bibechana-18385	53	22	o27	o27	NUM
bibechana-18385	53	23	)	)	PUNCT
bibechana-18385	53	24	(	(	PUNCT
bibechana-18385	53	25	41.57	41.57	NUM
bibechana-18385	53	26	kcal	kcal	NOUN
bibechana-18385	53	27	/	/	SYM
bibechana-18385	53	28	mol	mol	NOUN
bibechana-18385	53	29	)	)	PUNCT
bibechana-18385	53	30	,	,	PUNCT
bibechana-18385	53	31	from	from	ADP
bibechana-18385	53	32	lp(2)o27	lp(2)o27	PROPN
bibechana-18385	53	33	to	to	ADP
bibechana-18385	53	34	the	the	DET
bibechana-18385	53	35	antibonding	antibonding	ADJ
bibechana-18385	53	36	acceptor	acceptor	NOUN
bibechana-18385	53	37	�	�	PROPN
bibechana-18385	53	38	*	*	PUNCT
bibechana-18385	53	39	(	(	PUNCT
bibechana-18385	53	40	c21	c21	NOUN
bibechana-18385	53	41	-	-	PUNCT
bibechana-18385	53	42	n26	n26	PROPN
bibechana-18385	53	43	)	)	PUNCT
bibechana-18385	53	44	(	(	PUNCT
bibechana-18385	53	45	30.04	30.04	NUM
bibechana-18385	53	46	kcal	kcal	NOUN
bibechana-18385	53	47	/	/	SYM
bibechana-18385	53	48	mol	mol	NOUN
bibechana-18385	53	49	)	)	PUNCT
bibechana-18385	53	50	.	.	PUNCT
bibechana-18385	54	1	similarly	similarly	ADV
bibechana-18385	54	2	,	,	PUNCT
bibechana-18385	54	3	another	another	DET
bibechana-18385	54	4	lone	lone	ADJ
bibechana-18385	54	5	pair	pair	NOUN
bibechana-18385	54	6	electron	electron	NOUN
bibechana-18385	54	7	donations	donation	NOUN
bibechana-18385	54	8	are	be	AUX
bibechana-18385	54	9	from	from	ADP
bibechana-18385	54	10	lp(3	lp(3	NOUN
bibechana-18385	54	11	)	)	PUNCT
bibechana-18385	54	12	o29	o29	NOUN
bibechana-18385	54	13	to	to	ADP
bibechana-18385	54	14	the	the	DET
bibechana-18385	54	15	antibonding	antibonde	VERB
bibechana-18385	54	16	acceptors	acceptor	NOUN
bibechana-18385	54	17	�	�	NOUN
bibechana-18385	54	18	*	*	SYM
bibechana-18385	54	19	(	(	PUNCT
bibechana-18385	54	20	s28	s28	NOUN
bibechana-18385	54	21	-	-	PUNCT
bibechana-18385	54	22	o30	o30	NOUN
bibechana-18385	54	23	)	)	PUNCT
bibechana-18385	54	24	with	with	ADP
bibechana-18385	54	25	stabilization	stabilization	NOUN
bibechana-18385	54	26	energy	energy	NOUN
bibechana-18385	54	27	21.15	21.15	NUM
bibechana-18385	54	28	kcal	kcal	NOUN
bibechana-18385	54	29	/	/	SYM
bibechana-18385	54	30	mol	mol	PROPN
bibechana-18385	54	31	and	and	CCONJ
bibechana-18385	54	32	from	from	ADP
bibechana-18385	54	33	lp(3)o30	lp(3)o30	PROPN
bibechana-18385	54	34	to	to	ADP
bibechana-18385	54	35	the	the	DET
bibechana-18385	54	36	antibonding	antibonding	ADJ
bibechana-18385	54	37	acceptor	acceptor	NOUN
bibechana-18385	54	38	�	�	PROPN
bibechana-18385	54	39	*	*	SYM
bibechana-18385	54	40	(	(	PUNCT
bibechana-18385	54	41	s28	s28	NOUN
bibechana-18385	54	42	-	-	PUNCT
bibechana-18385	54	43	o29	o29	NOUN
bibechana-18385	54	44	)	)	PUNCT
bibechana-18385	54	45	with	with	ADP
bibechana-18385	54	46	stabilization	stabilization	NOUN
bibechana-18385	54	47	21.63	21.63	NUM
bibechana-18385	54	48	kcal	kcal	NOUN
bibechana-18385	54	49	/	/	SYM
bibechana-18385	54	50	mol	mol	PROPN
bibechana-18385	54	51	.	.	PUNCT
bibechana-18385	55	1	the	the	DET
bibechana-18385	55	2	interactions	interaction	NOUN
bibechana-18385	55	3	mainly	mainly	ADV
bibechana-18385	55	4	include	include	VERB
bibechana-18385	55	5	within	within	ADP
bibechana-18385	55	6	the	the	DET
bibechana-18385	55	7	rings	ring	NOUN
bibechana-18385	55	8	r1	r1	PROPN
bibechana-18385	55	9	and	and	CCONJ
bibechana-18385	55	10	r3	r3	PROPN
bibechana-18385	55	11	,	,	PUNCT
bibechana-18385	55	12	and	and	CCONJ
bibechana-18385	55	13	the	the	DET
bibechana-18385	55	14	nitrogen	nitrogen	NOUN
bibechana-18385	55	15	and	and	CCONJ
bibechana-18385	55	16	sulphur	sulphur	NOUN
bibechana-18385	55	17	atoms	atom	NOUN
bibechana-18385	55	18	of	of	ADP
bibechana-18385	55	19	the	the	DET
bibechana-18385	55	20	ring	ring	NOUN
bibechana-18385	55	21	r2	r2	NOUN
bibechana-18385	55	22	.	.	PUNCT
bibechana-18385	56	1	the	the	DET
bibechana-18385	56	2	nbo	nbo	PROPN
bibechana-18385	56	3	analysis	analysis	NOUN
bibechana-18385	56	4	also	also	ADV
bibechana-18385	56	5	describes	describe	VERB
bibechana-18385	56	6	the	the	DET
bibechana-18385	56	7	bonding	bonding	NOUN
bibechana-18385	56	8	in	in	ADP
bibechana-18385	56	9	terms	term	NOUN
bibechana-18385	56	10	of	of	ADP
bibechana-18385	56	11	the	the	DET
bibechana-18385	56	12	natural	natural	ADJ
bibechana-18385	56	13	hybrid	hybrid	ADJ
bibechana-18385	56	14	orbital	orbital	ADJ
bibechana-18385	56	15	lp(2	lp(2	NOUN
bibechana-18385	56	16	)	)	PUNCT
bibechana-18385	56	17	o27	o27	NOUN
bibechana-18385	56	18	,	,	PUNCT
bibechana-18385	56	19	which	which	PRON
bibechana-18385	56	20	occupy	occupy	VERB
bibechana-18385	56	21	a	a	DET
bibechana-18385	56	22	higher	high	ADJ
bibechana-18385	56	23	energy	energy	NOUN
bibechana-18385	56	24	orbital	orbital	NOUN
bibechana-18385	56	25	(	(	PUNCT
bibechana-18385	56	26	-0.27030	-0.27030	PROPN
bibechana-18385	56	27	a.u	a.u	PROPN
bibechana-18385	56	28	.	.	PROPN
bibechana-18385	56	29	)	)	PUNCT
bibechana-18385	56	30	with	with	ADP
bibechana-18385	56	31	considerable	considerable	ADJ
bibechana-18385	56	32	p	p	NOUN
bibechana-18385	56	33	-	-	PUNCT
bibechana-18385	56	34	character	character	NOUN
bibechana-18385	56	35	(	(	PUNCT
bibechana-18385	56	36	99.92	99.92	NUM
bibechana-18385	56	37	%	%	NOUN
bibechana-18385	56	38	)	)	PUNCT
bibechana-18385	56	39	and	and	CCONJ
bibechana-18385	56	40	low	low	ADJ
bibechana-18385	56	41	bhawani	bhawani	PROPN
bibechana-18385	56	42	d.	d.	PROPN
bibechana-18385	56	43	joshi	joshi	PROPN
bibechana-18385	56	44	,	,	PUNCT
bibechana-18385	56	45	manoj	manoj	PROPN
bibechana-18385	56	46	k.	k.	PROPN
bibechana-18385	56	47	chaudhary/	chaudhary/	NUM
bibechana-18385	56	48	bibechana	bibechana	NOUN
bibechana-18385	56	49	15	15	NUM
bibechana-18385	56	50	(	(	PUNCT
bibechana-18385	56	51	2018	2018	NUM
bibechana-18385	56	52	)	)	PUNCT
bibechana-18385	56	53	131	131	NUM
bibechana-18385	56	54	-	-	SYM
bibechana-18385	56	55	139	139	NUM
bibechana-18385	56	56	:	:	PUNCT
bibechana-18385	56	57	rcost	rcost	NOUN
bibechana-18385	56	58	p.134	p.134	NOUN
bibechana-18385	56	59	occupation	occupation	NOUN
bibechana-18385	56	60	number	number	NOUN
bibechana-18385	56	61	(	(	PUNCT
bibechana-18385	56	62	1.85623	1.85623	NUM
bibechana-18385	56	63	)	)	PUNCT
bibechana-18385	56	64	and	and	CCONJ
bibechana-18385	56	65	the	the	DET
bibechana-18385	56	66	other	other	ADJ
bibechana-18385	56	67	lp(1)o27	lp(1)o27	PROPN
bibechana-18385	56	68	occupy	occupy	VERB
bibechana-18385	56	69	a	a	DET
bibechana-18385	56	70	lower	low	ADJ
bibechana-18385	56	71	energy	energy	NOUN
bibechana-18385	56	72	orbital	orbital	NOUN
bibechana-18385	56	73	(	(	PUNCT
bibechana-18385	56	74	-0.70715	-0.70715	NOUN
bibechana-18385	56	75	a.u	a.u	PROPN
bibechana-18385	56	76	.	.	PROPN
bibechana-18385	56	77	)	)	PUNCT
bibechana-18385	56	78	with	with	ADP
bibechana-18385	56	79	p	p	NOUN
bibechana-18385	56	80	-	-	PUNCT
bibechana-18385	56	81	character	character	NOUN
bibechana-18385	56	82	(	(	PUNCT
bibechana-18385	56	83	41.40	41.40	NUM
bibechana-18385	56	84	%	%	NOUN
bibechana-18385	56	85	)	)	PUNCT
bibechana-18385	56	86	and	and	CCONJ
bibechana-18385	56	87	high	high	ADJ
bibechana-18385	56	88	occupation	occupation	NOUN
bibechana-18385	56	89	number	number	NOUN
bibechana-18385	56	90	(	(	PUNCT
bibechana-18385	56	91	1.98474	1.98474	NUM
bibechana-18385	56	92	)	)	PUNCT
bibechana-18385	56	93	.	.	PUNCT
bibechana-18385	57	1	another	another	DET
bibechana-18385	57	2	natural	natural	ADJ
bibechana-18385	57	3	hybrid	hybrid	ADJ
bibechana-18385	57	4	orbital	orbital	ADJ
bibechana-18385	57	5	lp(2	lp(2	NOUN
bibechana-18385	57	6	)	)	PUNCT
bibechana-18385	57	7	o29	o29	NOUN
bibechana-18385	57	8	,	,	PUNCT
bibechana-18385	57	9	which	which	PRON
bibechana-18385	57	10	occupy	occupy	VERB
bibechana-18385	57	11	a	a	DET
bibechana-18385	57	12	higher	high	ADJ
bibechana-18385	57	13	energy	energy	NOUN
bibechana-18385	57	14	orbital	orbital	NOUN
bibechana-18385	57	15	(	(	PUNCT
bibechana-18385	57	16	-0.30236a.u	-0.30236a.u	ADJ
bibechana-18385	57	17	.	.	PUNCT
bibechana-18385	57	18	)	)	PUNCT
bibechana-18385	58	1	with	with	ADP
bibechana-18385	58	2	considerable	considerable	ADJ
bibechana-18385	58	3	p	p	NOUN
bibechana-18385	58	4	-	-	PUNCT
bibechana-18385	58	5	character	character	NOUN
bibechana-18385	58	6	(	(	PUNCT
bibechana-18385	58	7	99.91	99.91	NUM
bibechana-18385	58	8	%	%	NOUN
bibechana-18385	58	9	)	)	PUNCT
bibechana-18385	58	10	and	and	CCONJ
bibechana-18385	58	11	low	low	ADJ
bibechana-18385	58	12	occupation	occupation	NOUN
bibechana-18385	58	13	number	number	NOUN
bibechana-18385	58	14	(	(	PUNCT
bibechana-18385	58	15	1.80719	1.80719	NUM
bibechana-18385	58	16	)	)	PUNCT
bibechana-18385	58	17	and	and	CCONJ
bibechana-18385	58	18	the	the	DET
bibechana-18385	58	19	other	other	ADJ
bibechana-18385	58	20	lp(1)o29	lp(1)o29	PROPN
bibechana-18385	58	21	occupy	occupy	VERB
bibechana-18385	58	22	a	a	DET
bibechana-18385	58	23	lower	low	ADJ
bibechana-18385	58	24	energy	energy	NOUN
bibechana-18385	58	25	orbital	orbital	NOUN
bibechana-18385	58	26	(	(	PUNCT
bibechana-18385	58	27	-0.29619	-0.29619	NOUN
bibechana-18385	58	28	a.u	a.u	PROPN
bibechana-18385	58	29	.	.	PUNCT
bibechana-18385	58	30	)	)	PUNCT
bibechana-18385	58	31	with	with	ADP
bibechana-18385	58	32	p	p	NOUN
bibechana-18385	58	33	-	-	PUNCT
bibechana-18385	58	34	character	character	NOUN
bibechana-18385	58	35	(	(	PUNCT
bibechana-18385	58	36	24.15	24.15	NUM
bibechana-18385	58	37	%	%	NOUN
bibechana-18385	58	38	)	)	PUNCT
bibechana-18385	58	39	and	and	CCONJ
bibechana-18385	58	40	high	high	ADJ
bibechana-18385	58	41	occupation	occupation	NOUN
bibechana-18385	58	42	number	number	NOUN
bibechana-18385	58	43	(	(	PUNCT
bibechana-18385	58	44	1.98263	1.98263	NUM
bibechana-18385	58	45	)	)	PUNCT
bibechana-18385	58	46	.	.	PUNCT
bibechana-18385	59	1	similarly	similarly	ADV
bibechana-18385	59	2	,	,	PUNCT
bibechana-18385	59	3	the	the	DET
bibechana-18385	59	4	other	other	ADJ
bibechana-18385	59	5	nbo	nbo	PROPN
bibechana-18385	59	6	analysis	analysis	NOUN
bibechana-18385	59	7	describes	describe	VERB
bibechana-18385	59	8	in	in	ADP
bibechana-18385	59	9	terms	term	NOUN
bibechana-18385	59	10	of	of	ADP
bibechana-18385	59	11	the	the	DET
bibechana-18385	59	12	natural	natural	ADJ
bibechana-18385	59	13	hybrid	hybrid	ADJ
bibechana-18385	59	14	orbital	orbital	ADJ
bibechana-18385	59	15	lp(2)o2	lp(2)o2	NOUN
bibechana-18385	59	16	,	,	PUNCT
bibechana-18385	59	17	which	which	PRON
bibechana-18385	59	18	occupy	occupy	VERB
bibechana-18385	59	19	a	a	DET
bibechana-18385	59	20	higher	high	ADJ
bibechana-18385	59	21	energy	energy	NOUN
bibechana-18385	59	22	orbital	orbital	NOUN
bibechana-18385	59	23	(	(	PUNCT
bibechana-18385	59	24	0.29619	0.29619	NUM
bibechana-18385	59	25	a.u	a.u	PROPN
bibechana-18385	59	26	.	.	PUNCT
bibechana-18385	59	27	)	)	PUNCT
bibechana-18385	59	28	with	with	ADP
bibechana-18385	59	29	p	p	NOUN
bibechana-18385	59	30	-	-	PUNCT
bibechana-18385	59	31	character	character	NOUN
bibechana-18385	59	32	(	(	PUNCT
bibechana-18385	59	33	99.92	99.92	NUM
bibechana-18385	59	34	%	%	NOUN
bibechana-18385	59	35	)	)	PUNCT
bibechana-18385	59	36	and	and	CCONJ
bibechana-18385	59	37	low	low	ADJ
bibechana-18385	59	38	energy	energy	NOUN
bibechana-18385	59	39	occupation	occupation	NOUN
bibechana-18385	59	40	(	(	PUNCT
bibechana-18385	59	41	1.81031	1.81031	NUM
bibechana-18385	59	42	)	)	PUNCT
bibechana-18385	59	43	and	and	CCONJ
bibechana-18385	59	44	other	other	ADJ
bibechana-18385	59	45	lp(1)o30	lp(1)o30	PROPN
bibechana-18385	59	46	occupy	occupy	VERB
bibechana-18385	59	47	a	a	DET
bibechana-18385	59	48	lower	low	ADJ
bibechana-18385	59	49	energy	energy	NOUN
bibechana-18385	59	50	orbital	orbital	NOUN
bibechana-18385	59	51	(	(	PUNCT
bibechana-18385	59	52	-0.81342	-0.81342	INTJ
bibechana-18385	59	53	a.u	a.u	PROPN
bibechana-18385	59	54	.	.	PUNCT
bibechana-18385	59	55	)	)	PUNCT
bibechana-18385	59	56	with	with	ADP
bibechana-18385	59	57	p	p	NOUN
bibechana-18385	59	58	-	-	PUNCT
bibechana-18385	59	59	character	character	NOUN
bibechana-18385	59	60	(	(	PUNCT
bibechana-18385	59	61	23.45	23.45	NUM
bibechana-18385	59	62	%	%	NOUN
bibechana-18385	59	63	)	)	PUNCT
bibechana-18385	59	64	and	and	CCONJ
bibechana-18385	59	65	high	high	ADJ
bibechana-18385	59	66	occupation	occupation	NOUN
bibechana-18385	59	67	number	number	NOUN
bibechana-18385	59	68	(	(	PUNCT
bibechana-18385	59	69	1.98110).thus	1.98110).thus	NUM
bibechana-18385	59	70	,	,	PUNCT
bibechana-18385	59	71	pure	pure	ADJ
bibechana-18385	59	72	p	p	NOUN
bibechana-18385	59	73	-	-	PUNCT
bibechana-18385	59	74	type	type	NOUN
bibechana-18385	59	75	lone	lone	ADJ
bibechana-18385	59	76	pair	pair	NOUN
bibechana-18385	59	77	orbital	orbital	ADJ
bibechana-18385	59	78	participates	participate	VERB
bibechana-18385	59	79	in	in	ADP
bibechana-18385	59	80	the	the	DET
bibechana-18385	59	81	electron	electron	NOUN
bibechana-18385	59	82	donation	donation	NOUN
bibechana-18385	59	83	interactions	interaction	NOUN
bibechana-18385	59	84	in	in	ADP
bibechana-18385	59	85	the	the	DET
bibechana-18385	59	86	compound	compound	NOUN
bibechana-18385	59	87	.	.	PUNCT
bibechana-18385	60	1	the	the	DET
bibechana-18385	60	2	results	result	NOUN
bibechana-18385	60	3	are	be	AUX
bibechana-18385	60	4	tabulated	tabulate	VERB
bibechana-18385	60	5	in	in	ADP
bibechana-18385	60	6	table	table	NOUN
bibechana-18385	60	7	2	2	NUM
bibechana-18385	60	8	.	.	PUNCT
bibechana-18385	60	9	table	table	NOUN
bibechana-18385	60	10	2.selected	2.selected	NUM
bibechana-18385	60	11	lewis	lewis	PROPN
bibechana-18385	60	12	orbitals	orbital	NOUN
bibechana-18385	60	13	(	(	PUNCT
bibechana-18385	60	14	occupied	occupy	VERB
bibechana-18385	60	15	bond	bond	NOUN
bibechana-18385	60	16	or	or	CCONJ
bibechana-18385	60	17	lone	lone	ADJ
bibechana-18385	60	18	pair	pair	NOUN
bibechana-18385	60	19	)	)	PUNCT
bibechana-18385	60	20	with	with	ADP
bibechana-18385	60	21	the	the	DET
bibechana-18385	60	22	valence	valence	NOUN
bibechana-18385	60	23	hybrids	hybrid	NOUN
bibechana-18385	60	24	corresponding	correspond	VERB
bibechana-18385	60	25	to	to	ADP
bibechana-18385	60	26	the	the	DET
bibechana-18385	60	27	various	various	ADJ
bibechana-18385	60	28	interactions	interaction	NOUN
bibechana-18385	60	29	in	in	ADP
bibechana-18385	60	30	(	(	PUNCT
bibechana-18385	60	31	3	3	NUM
bibechana-18385	60	32	):	):	PUNCT
bibechana-18385	60	33	a	a	DET
bibechana-18385	60	34	-	-	PUNCT
bibechana-18385	60	35	donor	donor	NOUN
bibechana-18385	60	36	,	,	PUNCT
bibechana-18385	60	37	b	b	NOUN
bibechana-18385	60	38	-	-	PUNCT
bibechana-18385	60	39	acceptor	acceptor	NOUN
bibechana-18385	60	40	and(ed)-electron	and(ed)-electron	PROPN
bibechana-18385	60	41	density	density	NOUN
bibechana-18385	60	42	.	.	PUNCT
bibechana-18385	61	1	bond(a	bond(a	PROPN
bibechana-18385	61	2	–	–	PUNCT
bibechana-18385	61	3	b	b	NOUN
bibechana-18385	61	4	)	)	PUNCT
bibechana-18385	61	5	eda	eda	PROPN
bibechana-18385	61	6	–	–	PUNCT
bibechana-18385	61	7	b	b	X
bibechana-18385	61	8	eda	eda	PROPN
bibechana-18385	61	9	(	(	PUNCT
bibechana-18385	61	10	%	%	INTJ
bibechana-18385	61	11	)	)	PUNCT
bibechana-18385	61	12	edb	edb	NOUN
bibechana-18385	61	13	(	(	PUNCT
bibechana-18385	61	14	%	%	INTJ
bibechana-18385	61	15	)	)	PUNCT
bibechana-18385	61	16	nbo	nbo	PROPN
bibechana-18385	61	17	hybrid	hybrid	NOUN
bibechana-18385	61	18	orbitals	orbital	NOUN
bibechana-18385	61	19	s	s	PART
bibechana-18385	61	20	(	(	PUNCT
bibechana-18385	61	21	%	%	INTJ
bibechana-18385	61	22	)	)	PUNCT
bibechana-18385	61	23	p	p	NOUN
bibechana-18385	61	24	(	(	PUNCT
bibechana-18385	61	25	%	%	INTJ
bibechana-18385	61	26	)	)	PUNCT
bibechana-18385	61	27	σ	σ	PROPN
bibechana-18385	61	28	(	(	PUNCT
bibechana-18385	61	29	c1	c1	PROPN
bibechana-18385	61	30	–	–	PUNCT
bibechana-18385	61	31	s28	s28	PROPN
bibechana-18385	61	32	)	)	PUNCT
bibechana-18385	61	33	1.96350	1.96350	NUM
bibechana-18385	61	34	54.34	54.34	NUM
bibechana-18385	61	35	45.66	45.66	NUM
bibechana-18385	61	36	0.7372(sp3.21)c+	0.7372(sp3.21)c+	NOUN
bibechana-18385	61	37	23.73	23.73	NUM
bibechana-18385	61	38	76.23	76.23	NUM
bibechana-18385	61	39	-0.69894	-0.69894	NOUN
bibechana-18385	61	40	0.6757(sp3.34)s	0.6757(sp3.34)	NOUN
bibechana-18385	61	41	22.74	22.74	NUM
bibechana-18385	61	42	75.92	75.92	NUM
bibechana-18385	61	43	σ	σ	NOUN
bibechana-18385	61	44	(	(	PUNCT
bibechana-18385	61	45	c10	c10	NOUN
bibechana-18385	61	46	–	–	PUNCT
bibechana-18385	61	47	n26	n26	NUM
bibechana-18385	61	48	)	)	PUNCT
bibechana-18385	61	49	1.97989	1.97989	NUM
bibechana-18385	61	50	38.37	38.37	NUM
bibechana-18385	61	51	61.63	61.63	NUM
bibechana-18385	61	52	0.6194(sp2.69)c+	0.6194(sp2.69)c+	NUM
bibechana-18385	61	53	27.04	27.04	NUM
bibechana-18385	61	54	72.86	72.86	NUM
bibechana-18385	61	55	-0.80968	-0.80968	NOUN
bibechana-18385	61	56	0.7850(sp1.98)n	0.7850(sp1.98)n	NOUN
bibechana-18385	61	57	33.54	33.54	NUM
bibechana-18385	61	58	66.42	66.42	NUM
bibechana-18385	61	59	σ	σ	NOUN
bibechana-18385	61	60	(	(	PUNCT
bibechana-18385	61	61	c11	c11	NOUN
bibechana-18385	61	62	–	–	PUNCT
bibechana-18385	61	63	n26	n26	PROPN
bibechana-18385	61	64	)	)	PUNCT
bibechana-18385	61	65	1.97750	1.97750	NUM
bibechana-18385	61	66	37.98	37.98	NUM
bibechana-18385	61	67	62.02	62.02	NUM
bibechana-18385	61	68	0.6163(sp2.74)c+	0.6163(sp2.74)c+	NUM
bibechana-18385	61	69	26.70	26.70	NUM
bibechana-18385	61	70	73.20	73.20	NUM
bibechana-18385	61	71	-0.79572	-0.79572	NOUN
bibechana-18385	62	1	0.7875(sp2.06)n	0.7875(sp2.06)n	NOUN
bibechana-18385	62	2	32.64	32.64	NUM
bibechana-18385	62	3	67.32	67.32	NUM
bibechana-18385	62	4	σ	σ	NOUN
bibechana-18385	62	5	(	(	PUNCT
bibechana-18385	62	6	c12	c12	PROPN
bibechana-18385	62	7	–	–	SYM
bibechana-18385	62	8	s28	s28	PROPN
bibechana-18385	62	9	)	)	PUNCT
bibechana-18385	62	10	1.96303	1.96303	NUM
bibechana-18385	62	11	53.74	53.74	NUM
bibechana-18385	62	12	46.26	46.26	NUM
bibechana-18385	62	13	0.7330(sp3.24)c+	0.7330(sp3.24)c+	NUM
bibechana-18385	63	1	23.59	23.59	NUM
bibechana-18385	63	2	76.36	76.36	NUM
bibechana-18385	63	3	-0.69859	-0.69859	NOUN
bibechana-18385	63	4	0.6802(sp3.26)s	0.6802(sp3.26)s	PROPN
bibechana-18385	63	5	23.17	23.17	NUM
bibechana-18385	63	6	75.52	75.52	NUM
bibechana-18385	63	7	σ	σ	NOUN
bibechana-18385	63	8	(	(	PUNCT
bibechana-18385	63	9	c21	c21	NOUN
bibechana-18385	63	10	–	–	PUNCT
bibechana-18385	63	11	n26	n26	PROPN
bibechana-18385	63	12	)	)	PUNCT
bibechana-18385	63	13	1.98018	1.98018	NUM
bibechana-18385	63	14	35.37	35.37	NUM
bibechana-18385	63	15	64.63	64.63	NUM
bibechana-18385	63	16	0.5947(sp2.39)c+	0.5947(sp2.39)c+	NUM
bibechana-18385	63	17	29.50	29.50	NUM
bibechana-18385	63	18	70.37	70.37	NUM
bibechana-18385	63	19	-0.81385	-0.81385	NOUN
bibechana-18385	63	20	0.8039(sp1.98)n	0.8039(sp1.98)n	NOUN
bibechana-18385	64	1	33.50	33.50	NUM
bibechana-18385	64	2	66.47	66.47	NUM
bibechana-18385	64	3	σ	σ	NOUN
bibechana-18385	64	4	(	(	PUNCT
bibechana-18385	64	5	c21	c21	NOUN
bibechana-18385	64	6	–	–	PUNCT
bibechana-18385	64	7	o27	o27	NUM
bibechana-18385	64	8	)	)	PUNCT
bibechana-18385	64	9	1.99417	1.99417	NUM
bibechana-18385	64	10	35.16	35.16	NUM
bibechana-18385	64	11	64.84	64.84	NUM
bibechana-18385	64	12	0.5930(sp2.08)c+	0.5930(sp2.08)c+	NOUN
bibechana-18385	64	13	32.42	32.42	NUM
bibechana-18385	64	14	67.40	67.40	NUM
bibechana-18385	64	15	-1.09153	-1.09153	VERB
bibechana-18385	64	16	0.8052(sp1.44)o	0.8052(sp1.44)o	NOUN
bibechana-18385	64	17	40.97	40.97	NUM
bibechana-18385	64	18	58.92	58.92	NUM
bibechana-18385	64	19	σ	σ	NOUN
bibechana-18385	64	20	(	(	PUNCT
bibechana-18385	64	21	s21	s21	NOUN
bibechana-18385	64	22	–	–	PUNCT
bibechana-18385	64	23	o29	o29	NOUN
bibechana-18385	64	24	)	)	PUNCT
bibechana-18385	64	25	1.98590	1.98590	NUM
bibechana-18385	64	26	35.28	35.28	NUM
bibechana-18385	64	27	64.72	64.72	NUM
bibechana-18385	64	28	0.5939(sp2.61)s+	0.5939(sp2.61)s+	NUM
bibechana-18385	64	29	27.25	27.25	NUM
bibechana-18385	64	30	71.24	71.24	NUM
bibechana-18385	64	31	-0.98985	-0.98985	X
bibechana-18385	65	1	0.8045(sp3.15)o	0.8045(sp3.15)o	PROPN
bibechana-18385	65	2	24.08	24.08	NUM
bibechana-18385	65	3	75.80	75.80	NUM
bibechana-18385	65	4	σ	σ	NOUN
bibechana-18385	65	5	(	(	PUNCT
bibechana-18385	65	6	s21	s21	NOUN
bibechana-18385	65	7	–	–	PUNCT
bibechana-18385	65	8	o30	o30	NOUN
bibechana-18385	65	9	)	)	PUNCT
bibechana-18385	65	10	1.98233	1.98233	NUM
bibechana-18385	65	11	35.24	35.24	NUM
bibechana-18385	65	12	64.76	64.76	NUM
bibechana-18385	65	13	0.5937(sp2.62)s+	0.5937(sp2.62)s+	NUM
bibechana-18385	65	14	27.22	27.22	NUM
bibechana-18385	65	15	71.24	71.24	NUM
bibechana-18385	65	16	-0.97802	-0.97802	X
bibechana-18385	65	17	0.8047(sp3.25)o	0.8047(sp3.25)o	X
bibechana-18385	65	18	23.48	23.48	NUM
bibechana-18385	65	19	76.41	76.41	NUM
bibechana-18385	66	1	lp(1)n26	lp(1)n26	PROPN
bibechana-18385	66	2	1.68652	1.68652	NUM
bibechana-18385	66	3	(	(	PUNCT
bibechana-18385	66	4	sp99.99	sp99.99	PROPN
bibechana-18385	66	5	)	)	PUNCT
bibechana-18385	66	6	0.30	0.30	NUM
bibechana-18385	66	7	99.69	99.69	NUM
bibechana-18385	66	8	-0.28427	-0.28427	NOUN
bibechana-18385	66	9	lp(1	lp(1	NOUN
bibechana-18385	66	10	)	)	PUNCT
bibechana-18385	66	11	o27	o27	NOUN
bibechana-18385	66	12	1.97547	1.97547	NUM
bibechana-18385	66	13	(	(	PUNCT
bibechana-18385	66	14	sp0.71	sp0.71	PROPN
bibechana-18385	66	15	)	)	PUNCT
bibechana-18385	66	16	58.58	58.58	NUM
bibechana-18385	66	17	41.40	41.40	NUM
bibechana-18385	66	18	-0.70715	-0.70715	NOUN
bibechana-18385	66	19	lp(2	lp(2	NOUN
bibechana-18385	66	20	)	)	PUNCT
bibechana-18385	66	21	o27	o27	NOUN
bibechana-18385	66	22	1.85623	1.85623	NUM
bibechana-18385	66	23	)	)	PUNCT
bibechana-18385	66	24	p	p	X
bibechana-18385	66	25	99.92	99.92	NUM
bibechana-18385	66	26	-0.27030	-0.27030	NOUN
bibechana-18385	66	27	lp(1	lp(1	NOUN
bibechana-18385	66	28	)	)	PUNCT
bibechana-18385	66	29	o29	o29	NOUN
bibechana-18385	66	30	1.98263	1.98263	NUM
bibechana-18385	66	31	(	(	PUNCT
bibechana-18385	66	32	sp0.32	sp0.32	PROPN
bibechana-18385	66	33	)	)	PUNCT
bibechana-18385	66	34	75.84	75.84	NUM
bibechana-18385	66	35	24.15	24.15	NUM
bibechana-18385	66	36	-0.81174	-0.81174	PUNCT
bibechana-18385	66	37	lp(2	lp(2	NOUN
bibechana-18385	66	38	)	)	PUNCT
bibechana-18385	66	39	o29	o29	NOUN
bibechana-18385	66	40	1.80719	1.80719	NUM
bibechana-18385	66	41	p	p	NOUN
bibechana-18385	66	42	99.91	99.91	NUM
bibechana-18385	66	43	-0.30236	-0.30236	NOUN
bibechana-18385	66	44	lp(3	lp(3	NOUN
bibechana-18385	66	45	)	)	PUNCT
bibechana-18385	66	46	o29	o29	NOUN
bibechana-18385	66	47	1.79804	1.79804	NUM
bibechana-18385	66	48	(	(	PUNCT
bibechana-18385	66	49	sp99.99	sp99.99	PROPN
bibechana-18385	66	50	)	)	PUNCT
bibechana-18385	66	51	0.12	0.12	NUM
bibechana-18385	66	52	99.79	99.79	NUM
bibechana-18385	66	53	-0.29967	-0.29967	ADJ
bibechana-18385	66	54	lp(1	lp(1	NOUN
bibechana-18385	66	55	)	)	PUNCT
bibechana-18385	66	56	o30	o30	NOUN
bibechana-18385	66	57	1.98110	1.98110	NUM
bibechana-18385	66	58	(	(	PUNCT
bibechana-18385	66	59	sp0.31	sp0.31	NOUN
bibechana-18385	66	60	)	)	PUNCT
bibechana-18385	66	61	76.54	76.54	NUM
bibechana-18385	66	62	23.45	23.45	NUM
bibechana-18385	66	63	-0.81342	-0.81342	PUNCT
bibechana-18385	66	64	lp(2	lp(2	NOUN
bibechana-18385	66	65	)	)	PUNCT
bibechana-18385	66	66	o30	o30	NOUN
bibechana-18385	66	67	1.81031	1.81031	NUM
bibechana-18385	66	68	p	p	ADP
bibechana-18385	66	69	99.92	99.92	NUM
bibechana-18385	66	70	-0.29619	-0.29619	NOUN
bibechana-18385	67	1	lp(3	lp(3	NOUN
bibechana-18385	67	2	)	)	PUNCT
bibechana-18385	67	3	o30	o30	NOUN
bibechana-18385	67	4	1.77862	1.77862	NUM
bibechana-18385	67	5	(	(	PUNCT
bibechana-18385	67	6	sp99.99	sp99.99	PROPN
bibechana-18385	67	7	)	)	PUNCT
bibechana-18385	67	8	0.04	0.04	NUM
bibechana-18385	67	9	99.87	99.87	NUM
bibechana-18385	67	10	-0.29196	-0.29196	NOUN
bibechana-18385	67	11	the	the	DET
bibechana-18385	67	12	mulliken	mulliken	PROPN
bibechana-18385	67	13	charges	charge	NOUN
bibechana-18385	67	14	provide	provide	VERB
bibechana-18385	67	15	partial	partial	ADJ
bibechana-18385	67	16	atomic	atomic	ADJ
bibechana-18385	67	17	charges	charge	NOUN
bibechana-18385	67	18	.	.	PUNCT
bibechana-18385	68	1	they	they	PRON
bibechana-18385	68	2	are	be	AUX
bibechana-18385	68	3	explicitly	explicitly	ADV
bibechana-18385	68	4	sensitive	sensitive	ADJ
bibechana-18385	68	5	to	to	ADP
bibechana-18385	68	6	the	the	DET
bibechana-18385	68	7	choice	choice	NOUN
bibechana-18385	68	8	of	of	ADP
bibechana-18385	68	9	basis	basis	NOUN
bibechana-18385	68	10	set	set	NOUN
bibechana-18385	68	11	used	use	VERB
bibechana-18385	68	12	for	for	ADP
bibechana-18385	68	13	theoretical	theoretical	ADJ
bibechana-18385	68	14	calculation	calculation	NOUN
bibechana-18385	68	15	.	.	PUNCT
bibechana-18385	69	1	they	they	PRON
bibechana-18385	69	2	give	give	VERB
bibechana-18385	69	3	qualitative	qualitative	ADJ
bibechana-18385	69	4	results	result	NOUN
bibechana-18385	69	5	of	of	ADP
bibechana-18385	69	6	the	the	DET
bibechana-18385	69	7	charge	charge	NOUN
bibechana-18385	69	8	distribution	distribution	NOUN
bibechana-18385	69	9	to	to	ADP
bibechana-18385	69	10	the	the	DET
bibechana-18385	69	11	related	relate	VERB
bibechana-18385	69	12	atoms	atom	NOUN
bibechana-18385	69	13	.	.	PUNCT
bibechana-18385	70	1	the	the	DET
bibechana-18385	70	2	nbo	nbo	PROPN
bibechana-18385	70	3	charges	charge	NOUN
bibechana-18385	70	4	operate	operate	VERB
bibechana-18385	70	5	the	the	DET
bibechana-18385	70	6	electron	electron	NOUN
bibechana-18385	70	7	density	density	NOUN
bibechana-18385	70	8	and	and	CCONJ
bibechana-18385	70	9	are	be	AUX
bibechana-18385	70	10	more	more	ADV
bibechana-18385	70	11	reliable	reliable	ADJ
bibechana-18385	70	12	.	.	PUNCT
bibechana-18385	71	1	localized	localized	ADJ
bibechana-18385	71	2	natural	natural	ADJ
bibechana-18385	71	3	atomic	atomic	ADJ
bibechana-18385	71	4	orbitals	orbital	NOUN
bibechana-18385	71	5	can	can	AUX
bibechana-18385	71	6	be	be	AUX
bibechana-18385	71	7	used	use	VERB
bibechana-18385	71	8	to	to	PART
bibechana-18385	71	9	describe	describe	VERB
bibechana-18385	71	10	electron	electron	NOUN
bibechana-18385	71	11	density	density	NOUN
bibechana-18385	71	12	.	.	PUNCT
bibechana-18385	72	1	the	the	DET
bibechana-18385	72	2	polarization	polarization	NOUN
bibechana-18385	72	3	bonds	bond	NOUN
bibechana-18385	72	4	are	be	AUX
bibechana-18385	72	5	considered	consider	VERB
bibechana-18385	72	6	in	in	ADP
bibechana-18385	72	7	this	this	DET
bibechana-18385	72	8	method	method	NOUN
bibechana-18385	72	9	while	while	SCONJ
bibechana-18385	72	10	no	no	DET
bibechana-18385	72	11	polarization	polarization	NOUN
bibechana-18385	72	12	is	be	AUX
bibechana-18385	72	13	considered	consider	VERB
bibechana-18385	72	14	in	in	ADP
bibechana-18385	72	15	the	the	DET
bibechana-18385	72	16	mulliken	mulliken	NOUN
bibechana-18385	72	17	system	system	NOUN
bibechana-18385	72	18	.	.	PUNCT
bibechana-18385	73	1	the	the	DET
bibechana-18385	73	2	mulliken	mulliken	PROPN
bibechana-18385	73	3	and	and	CCONJ
bibechana-18385	73	4	nbo	nbo	PROPN
bibechana-18385	73	5	charges	charge	NOUN
bibechana-18385	73	6	obtained	obtain	VERB
bibechana-18385	73	7	by	by	ADP
bibechana-18385	73	8	b3lyp/6	b3lyp/6	NOUN
bibechana-18385	73	9	-	-	NOUN
bibechana-18385	73	10	311++g(d	311++g(d	PROPN
bibechana-18385	73	11	,	,	PUNCT
bibechana-18385	73	12	p	p	NOUN
bibechana-18385	73	13	)	)	PUNCT
bibechana-18385	73	14	basis	basis	NOUN
bibechana-18385	73	15	have	have	AUX
bibechana-18385	73	16	been	be	AUX
bibechana-18385	73	17	listed	list	VERB
bibechana-18385	73	18	in	in	ADP
bibechana-18385	73	19	the	the	DET
bibechana-18385	73	20	table	table	NOUN
bibechana-18385	73	21	3	3	X
bibechana-18385	73	22	.	.	PUNCT
bibechana-18385	74	1	their	their	PRON
bibechana-18385	74	2	graphical	graphical	ADJ
bibechana-18385	74	3	comparison	comparison	NOUN
bibechana-18385	74	4	is	be	AUX
bibechana-18385	74	5	shown	show	VERB
bibechana-18385	74	6	in	in	ADP
bibechana-18385	74	7	the	the	DET
bibechana-18385	74	8	figure	figure	NOUN
bibechana-18385	74	9	2	2	NUM
bibechana-18385	74	10	.	.	PUNCT
bibechana-18385	74	11	bhawani	bhawani	PROPN
bibechana-18385	74	12	d.	d.	PROPN
bibechana-18385	74	13	joshi	joshi	PROPN
bibechana-18385	74	14	,	,	PUNCT
bibechana-18385	74	15	manoj	manoj	PROPN
bibechana-18385	74	16	k.	k.	PROPN
bibechana-18385	74	17	chaudhary/	chaudhary/	NUM
bibechana-18385	74	18	bibechana	bibechana	NOUN
bibechana-18385	74	19	15	15	NUM
bibechana-18385	74	20	(	(	PUNCT
bibechana-18385	74	21	2018	2018	NUM
bibechana-18385	74	22	)	)	PUNCT
bibechana-18385	74	23	131	131	NUM
bibechana-18385	74	24	-	-	SYM
bibechana-18385	74	25	139	139	NUM
bibechana-18385	74	26	:	:	PUNCT
bibechana-18385	74	27	rcost	rcost	NOUN
bibechana-18385	74	28	p.135	p.135	NOUN
bibechana-18385	74	29	table	table	VERB
bibechana-18385	74	30	3	3	NUM
bibechana-18385	74	31	.	.	PUNCT
bibechana-18385	74	32	comparison	comparison	NOUN
bibechana-18385	74	33	of	of	ADP
bibechana-18385	74	34	nbo	nbo	PROPN
bibechana-18385	74	35	and	and	CCONJ
bibechana-18385	74	36	mulliken	mulliken	NOUN
bibechana-18385	74	37	charges	charge	NOUN
bibechana-18385	74	38	by	by	ADP
bibechana-18385	74	39	b3lyp/6	b3lyp/6	NOUN
bibechana-18385	74	40	-	-	NOUN
bibechana-18385	74	41	311++g(d	311++g(d	ADJ
bibechana-18385	74	42	,	,	PUNCT
bibechana-18385	74	43	p	p	NOUN
bibechana-18385	74	44	)	)	PUNCT
bibechana-18385	74	45	basis	basis	NOUN
bibechana-18385	74	46	.	.	PUNCT
bibechana-18385	75	1	atom	atom	NOUN
bibechana-18385	75	2	no	no	INTJ
bibechana-18385	75	3	.	.	PUNCT
bibechana-18385	76	1	mulliken	mulliken	NOUN
bibechana-18385	76	2	charges	charge	NOUN
bibechana-18385	76	3	(	(	PUNCT
bibechana-18385	76	4	esu	esu	NOUN
bibechana-18385	76	5	)	)	PUNCT
bibechana-18385	76	6	nbo	nbo	PROPN
bibechana-18385	76	7	charges	charge	NOUN
bibechana-18385	76	8	(	(	PUNCT
bibechana-18385	76	9	esu	esu	NOUN
bibechana-18385	76	10	)	)	PUNCT
bibechana-18385	76	11	atom	atom	NOUN
bibechana-18385	77	1	no	no	INTJ
bibechana-18385	77	2	.	.	PUNCT
bibechana-18385	78	1	mulliken	mulliken	NOUN
bibechana-18385	78	2	charges	charge	NOUN
bibechana-18385	78	3	(	(	PUNCT
bibechana-18385	78	4	esu	esu	NOUN
bibechana-18385	78	5	)	)	PUNCT
bibechana-18385	78	6	nbo	nbo	PROPN
bibechana-18385	78	7	charges	charge	NOUN
bibechana-18385	78	8	(	(	PUNCT
bibechana-18385	78	9	esu	esu	NOUN
bibechana-18385	78	10	)	)	PUNCT
bibechana-18385	78	11	1	1	NUM
bibechana-18385	78	12	c	c	NOUN
bibechana-18385	78	13	-0.801065	-0.801065	NOUN
bibechana-18385	78	14	-0.32909	-0.32909	NOUN
bibechana-18385	79	1	16	16	NUM
bibechana-18385	79	2	h	h	NOUN
bibechana-18385	79	3	0.072371	0.072371	NUM
bibechana-18385	79	4	0.24827	0.24827	NUM
bibechana-18385	79	5	2	2	NUM
bibechana-18385	79	6	c	c	NOUN
bibechana-18385	79	7	0.338536	0.338536	NUM
bibechana-18385	79	8	-0.18010	-0.18010	NOUN
bibechana-18385	79	9	17	17	NUM
bibechana-18385	79	10	c	c	PROPN
bibechana-18385	79	11	0.065647	0.065647	NUM
bibechana-18385	79	12	-0.20784	-0.20784	PROPN
bibechana-18385	79	13	3	3	NUM
bibechana-18385	79	14	h	h	NOUN
bibechana-18385	79	15	0.138707	0.138707	NUM
bibechana-18385	79	16	0.27189	0.27189	NUM
bibechana-18385	79	17	18	18	NUM
bibechana-18385	79	18	h	h	NOUN
bibechana-18385	79	19	0.077403	0.077403	NUM
bibechana-18385	79	20	0.24719	0.24719	NUM
bibechana-18385	79	21	4	4	NUM
bibechana-18385	79	22	c	c	PROPN
bibechana-18385	79	23	-0.174436	-0.174436	PROPN
bibechana-18385	79	24	-0.23767	-0.23767	PROPN
bibechana-18385	79	25	19	19	NUM
bibechana-18385	79	26	c	c	PROPN
bibechana-18385	79	27	-0.128778	-0.128778	NOUN
bibechana-18385	79	28	-0.21207	-0.21207	VERB
bibechana-18385	79	29	5h	5h	VERB
bibechana-18385	79	30	0.073405	0.073405	NUM
bibechana-18385	80	1	0.25036	0.25036	NUM
bibechana-18385	80	2	20	20	NUM
bibechana-18385	80	3	h	h	NOUN
bibechana-18385	80	4	0.109145	0.109145	NUM
bibechana-18385	80	5	0.26802	0.26802	NUM
bibechana-18385	80	6	6	6	NUM
bibechana-18385	80	7	c	c	NOUN
bibechana-18385	80	8	0.018242	0.018242	NUM
bibechana-18385	80	9	-0.20909	-0.20909	NOUN
bibechana-18385	80	10	21	21	NUM
bibechana-18385	81	1	c	c	NOUN
bibechana-18385	81	2	0.159322	0.159322	NUM
bibechana-18385	81	3	0.70133	0.70133	NUM
bibechana-18385	81	4	7	7	NUM
bibechana-18385	81	5	h	h	NOUN
bibechana-18385	81	6	0.090411	0.090411	NUM
bibechana-18385	81	7	0.24828	0.24828	NUM
bibechana-18385	81	8	22	22	NUM
bibechana-18385	81	9	c	c	NOUN
bibechana-18385	81	10	-0.308930	-0.308930	NOUN
bibechana-18385	81	11	-0.74808	-0.74808	NOUN
bibechana-18385	81	12	8	8	NUM
bibechana-18385	81	13	c	c	NOUN
bibechana-18385	81	14	0.056851	0.056851	NUM
bibechana-18385	81	15	-0.23514	-0.23514	NOUN
bibechana-18385	81	16	23	23	NUM
bibechana-18385	81	17	h	h	NOUN
bibechana-18385	81	18	0.163485	0.163485	NUM
bibechana-18385	82	1	0.27063	0.27063	NUM
bibechana-18385	82	2	9	9	NUM
bibechana-18385	82	3	h	h	NOUN
bibechana-18385	82	4	0.065658	0.065658	NUM
bibechana-18385	82	5	0.25055	0.25055	NUM
bibechana-18385	82	6	24	24	NUM
bibechana-18385	82	7	h	h	NOUN
bibechana-18385	82	8	0.141922	0.141922	NUM
bibechana-18385	82	9	0.25093	0.25093	NUM
bibechana-18385	82	10	10	10	NUM
bibechana-18385	82	11	c	c	NOUN
bibechana-18385	82	12	-0.394878	-0.394878	ADJ
bibechana-18385	82	13	0.16009	0.16009	NUM
bibechana-18385	82	14	25	25	NUM
bibechana-18385	82	15	h	h	NOUN
bibechana-18385	82	16	0.146591	0.146591	NUM
bibechana-18385	82	17	0.24921	0.24921	NUM
bibechana-18385	82	18	11	11	NUM
bibechana-18385	82	19	c	c	NOUN
bibechana-18385	82	20	-0.003160	-0.003160	NOUN
bibechana-18385	82	21	0.16753	0.16753	NUM
bibechana-18385	82	22	26	26	NUM
bibechana-18385	82	23	n	n	NUM
bibechana-18385	82	24	0.352297	0.352297	NUM
bibechana-18385	82	25	-0.49404	-0.49404	NOUN
bibechana-18385	82	26	12	12	NUM
bibechana-18385	82	27	c	c	NOUN
bibechana-18385	82	28	-0.554110	-0.554110	PROPN
bibechana-18385	82	29	-0.32425	-0.32425	NOUN
bibechana-18385	82	30	27	27	NUM
bibechana-18385	82	31	o	o	NOUN
bibechana-18385	82	32	-0.278885	-0.278885	NOUN
bibechana-18385	82	33	-0.57932	-0.57932	VERB
bibechana-18385	82	34	13	13	NUM
bibechana-18385	82	35	c	c	NOUN
bibechana-18385	82	36	0.203503	0.203503	NUM
bibechana-18385	82	37	-0.20626	-0.20626	NOUN
bibechana-18385	82	38	28	28	NUM
bibechana-18385	82	39	s	s	NOUN
bibechana-18385	82	40	0.861219	0.861219	NUM
bibechana-18385	82	41	2.17709	2.17709	NUM
bibechana-18385	82	42	14	14	NUM
bibechana-18385	82	43	h	h	NOUN
bibechana-18385	82	44	0.133208	0.133208	NUM
bibechana-18385	82	45	0.26962	0.26962	NUM
bibechana-18385	82	46	29	29	NUM
bibechana-18385	82	47	o	o	NOUN
bibechana-18385	82	48	-0.340694	-0.340694	NOUN
bibechana-18385	82	49	-0.92582	-0.92582	NOUN
bibechana-18385	83	1	15	15	NUM
bibechana-18385	83	2	c	c	NOUN
bibechana-18385	83	3	-0.033144	-0.033144	NOUN
bibechana-18385	83	4	-0.23002	-0.23002	NOUN
bibechana-18385	83	5	30	30	NUM
bibechana-18385	83	6	o	o	NOUN
bibechana-18385	83	7	-0.249846	-0.249846	NOUN
bibechana-18385	83	8	-0.91217	-0.91217	PROPN
bibechana-18385	83	9	fig	fig	NOUN
bibechana-18385	83	10	.	.	PUNCT
bibechana-18385	84	1	2	2	NUM
bibechana-18385	84	2	:	:	PUNCT
bibechana-18385	84	3	graphical	graphical	ADJ
bibechana-18385	84	4	representation	representation	NOUN
bibechana-18385	84	5	of	of	ADP
bibechana-18385	84	6	mulliken	mulliken	PROPN
bibechana-18385	84	7	and	and	CCONJ
bibechana-18385	84	8	nbo	nbo	PROPN
bibechana-18385	84	9	charges	charge	NOUN
bibechana-18385	84	10	.	.	PUNCT
bibechana-18385	85	1	3.2	3.2	NUM
bibechana-18385	85	2	.	.	PUNCT
bibechana-18385	86	1	nonlinear	nonlinear	ADJ
bibechana-18385	86	2	optical	optical	ADJ
bibechana-18385	86	3	(	(	PUNCT
bibechana-18385	86	4	nlo	nlo	PROPN
bibechana-18385	86	5	)	)	PUNCT
bibechana-18385	86	6	properties	property	NOUN
bibechana-18385	86	7	nlo	nlo	PROPN
bibechana-18385	86	8	phenomena	phenomena	PROPN
bibechana-18385	86	9	have	have	VERB
bibechana-18385	86	10	attractive	attractive	ADJ
bibechana-18385	86	11	attention	attention	NOUN
bibechana-18385	86	12	because	because	SCONJ
bibechana-18385	86	13	of	of	ADP
bibechana-18385	86	14	their	their	PRON
bibechana-18385	86	15	potential	potential	ADJ
bibechana-18385	86	16	applications	application	NOUN
bibechana-18385	86	17	in	in	ADP
bibechana-18385	86	18	optical	optical	ADJ
bibechana-18385	86	19	communication	communication	NOUN
bibechana-18385	86	20	,	,	PUNCT
bibechana-18385	86	21	optical	optical	ADJ
bibechana-18385	86	22	sensing	sensing	NOUN
bibechana-18385	86	23	,	,	PUNCT
bibechana-18385	86	24	data	datum	NOUN
bibechana-18385	86	25	storage	storage	NOUN
bibechana-18385	86	26	,	,	PUNCT
bibechana-18385	86	27	computing	computing	NOUN
bibechana-18385	86	28	etc	etc	X
bibechana-18385	86	29	.	.	PUNCT
bibechana-18385	87	1	[	[	X
bibechana-18385	87	2	17	17	NUM
bibechana-18385	87	3	,	,	PUNCT
bibechana-18385	87	4	18	18	NUM
bibechana-18385	87	5	]	]	PUNCT
bibechana-18385	87	6	.	.	PUNCT
bibechana-18385	88	1	the	the	DET
bibechana-18385	88	2	first	first	ADJ
bibechana-18385	88	3	hyperpolarizability	hyperpolarizability	NOUN
bibechana-18385	88	4	(	(	PUNCT
bibechana-18385	88	5	β0	β0	NOUN
bibechana-18385	88	6	)	)	PUNCT
bibechana-18385	88	7	of	of	ADP
bibechana-18385	88	8	the	the	DET
bibechana-18385	88	9	molecular	molecular	ADJ
bibechana-18385	88	10	system	system	NOUN
bibechana-18385	88	11	,	,	PUNCT
bibechana-18385	88	12	and	and	CCONJ
bibechana-18385	88	13	the	the	DET
bibechana-18385	88	14	related	related	ADJ
bibechana-18385	88	15	properties	property	NOUN
bibechana-18385	88	16	;	;	PUNCT
bibechana-18385	88	17	mean	mean	ADJ
bibechana-18385	88	18	polarizability	polarizability	NOUN
bibechana-18385	88	19	(	(	PUNCT
bibechana-18385	88	20	α0	α0	ADJ
bibechana-18385	88	21	)	)	PUNCT
bibechana-18385	88	22	and	and	CCONJ
bibechana-18385	88	23	anisotropy	anisotropy	NOUN
bibechana-18385	88	24	of	of	ADP
bibechana-18385	88	25	polarizability	polarizability	NOUN
bibechana-18385	88	26	(	(	PUNCT
bibechana-18385	88	27	∆α	∆α	NOUN
bibechana-18385	88	28	)	)	PUNCT
bibechana-18385	88	29	have	have	AUX
bibechana-18385	88	30	been	be	AUX
bibechana-18385	88	31	calculated	calculate	VERB
bibechana-18385	88	32	using	use	VERB
bibechana-18385	88	33	b3lyp/6	b3lyp/6	NOUN
bibechana-18385	88	34	-	-	NOUN
bibechana-18385	88	35	311++g(d	311++g(d	ADJ
bibechana-18385	88	36	,	,	PUNCT
bibechana-18385	88	37	p	p	NOUN
bibechana-18385	88	38	)	)	PUNCT
bibechana-18385	88	39	basis	basis	NOUN
bibechana-18385	88	40	set	set	NOUN
bibechana-18385	88	41	.	.	PUNCT
bibechana-18385	89	1	first	first	ADJ
bibechana-18385	89	2	order	order	NOUN
bibechana-18385	89	3	hyperpolarizability	hyperpolarizability	NOUN
bibechana-18385	89	4	is	be	AUX
bibechana-18385	89	5	a	a	DET
bibechana-18385	89	6	third	third	ADJ
bibechana-18385	89	7	rank	rank	NOUN
bibechana-18385	89	8	tensor	tensor	NOUN
bibechana-18385	89	9	that	that	PRON
bibechana-18385	89	10	can	can	AUX
bibechana-18385	89	11	be	be	AUX
bibechana-18385	89	12	described	describe	VERB
bibechana-18385	89	13	by	by	ADP
bibechana-18385	89	14	3x3x3	3x3x3	NUM
bibechana-18385	89	15	matrix	matrix	NOUN
bibechana-18385	89	16	.	.	PUNCT
bibechana-18385	90	1	the	the	DET
bibechana-18385	90	2	27	27	NUM
bibechana-18385	90	3	components	component	NOUN
bibechana-18385	90	4	of	of	ADP
bibechana-18385	90	5	3d	3d	NOUN
bibechana-18385	90	6	-	-	PUNCT
bibechana-18385	90	7	matrix	matrix	NOUN
bibechana-18385	90	8	can	can	AUX
bibechana-18385	90	9	be	be	AUX
bibechana-18385	90	10	reduced	reduce	VERB
bibechana-18385	90	11	to	to	ADP
bibechana-18385	90	12	10	10	NUM
bibechana-18385	90	13	components	component	NOUN
bibechana-18385	90	14	by	by	ADP
bibechana-18385	90	15	kleinman	kleinman	PROPN
bibechana-18385	90	16	symmetry	symmetry	PROPN
bibechana-18385	90	17	[	[	X
bibechana-18385	90	18	19	19	NUM
bibechana-18385	90	19	]	]	PUNCT
bibechana-18385	90	20	.	.	PUNCT
bibechana-18385	91	1	it	it	PRON
bibechana-18385	91	2	can	can	AUX
bibechana-18385	91	3	be	be	AUX
bibechana-18385	91	4	given	give	VERB
bibechana-18385	91	5	in	in	ADP
bibechana-18385	91	6	the	the	DET
bibechana-18385	91	7	lower	low	ADJ
bibechana-18385	91	8	tetrahedral	tetrahedral	ADJ
bibechana-18385	91	9	format	format	NOUN
bibechana-18385	91	10	.	.	PUNCT
bibechana-18385	92	1	energy	energy	NOUN
bibechana-18385	92	2	of	of	ADP
bibechana-18385	92	3	a	a	DET
bibechana-18385	92	4	system	system	NOUN
bibechana-18385	92	5	during	during	ADP
bibechana-18385	92	6	weak	weak	ADJ
bibechana-18385	92	7	and	and	CCONJ
bibechana-18385	92	8	homogeneous	homogeneous	ADJ
bibechana-18385	92	9	electric	electric	ADJ
bibechana-18385	92	10	field	field	NOUN
bibechana-18385	92	11	can	can	AUX
bibechana-18385	92	12	be	be	AUX
bibechana-18385	92	13	given	give	VERB
bibechana-18385	92	14	as	as	ADP
bibechana-18385	92	15	:	:	PUNCT
bibechana-18385	92	16	e	e	X
bibechana-18385	92	17	�	�	PROPN
bibechana-18385	92	18	e	e	PROPN
bibechana-18385	92	19	�	�	PROPN
bibechana-18385	92	20	�	�	PROPN
bibechana-18385	92	21	�	�	PROPN
bibechana-18385	92	22	μ	μ	PROPN
bibechana-18385	92	23	�	�	PROPN
bibechana-18385	92	24	f	f	PROPN
bibechana-18385	92	25	�	�	PROPN
bibechana-18385	92	26	�	�	PROPN
bibechana-18385	92	27	�	�	PROPN
bibechana-18385	92	28	12	12	NUM
bibechana-18385	92	29	�	�	PROPN
bibechana-18385	92	30	α	α	NUM
bibechana-18385	92	31	�	�	PROPN
bibechana-18385	92	32	�	�	PROPN
bibechana-18385	92	33	f	f	PROPN
bibechana-18385	92	34	�	�	PROPN
bibechana-18385	92	35	f	f	PROPN
bibechana-18385	92	36	�	�	PROPN
bibechana-18385	92	37	�	�	PROPN
bibechana-18385	92	38	16	16	NUM
bibechana-18385	92	39	�	�	PROPN
bibechana-18385	92	40	β	β	SYM
bibechana-18385	92	41	�	�	PROPN
bibechana-18385	92	42	�	�	PROPN
bibechana-18385	92	43	"f	"f	NOUN
bibechana-18385	92	44	�	�	PROPN
bibechana-18385	92	45	f	f	PROPN
bibechana-18385	92	46	�	�	PROPN
bibechana-18385	92	47	f	f	X
bibechana-18385	92	48	"	"	PUNCT
bibechana-18385	92	49	……	……	NOUN
bibechana-18385	92	50	�	�	NOUN
bibechana-18385	92	51	�	�	PROPN
bibechana-18385	92	52	"	"	PUNCT
bibechana-18385	92	53	�	�	PROPN
bibechana-18385	92	54	�	�	PROPN
bibechana-18385	92	55	where	where	SCONJ
bibechana-18385	92	56	e0	e0	PROPN
bibechana-18385	92	57	is	be	AUX
bibechana-18385	92	58	the	the	DET
bibechana-18385	92	59	energy	energy	NOUN
bibechana-18385	92	60	of	of	ADP
bibechana-18385	92	61	unperturbed	unperturbed	ADJ
bibechana-18385	92	62	molecule	molecule	NOUN
bibechana-18385	92	63	,	,	PUNCT
bibechana-18385	92	64	fi	fi	NOUN
bibechana-18385	92	65	is	be	AUX
bibechana-18385	92	66	the	the	DET
bibechana-18385	92	67	field	field	NOUN
bibechana-18385	92	68	at	at	ADP
bibechana-18385	92	69	the	the	DET
bibechana-18385	92	70	origin	origin	NOUN
bibechana-18385	92	71	μi	μi	NUM
bibechana-18385	92	72	,	,	PUNCT
bibechana-18385	92	73	αij	αij	NOUN
bibechana-18385	92	74	and	and	CCONJ
bibechana-18385	92	75	βijk	βijk	NOUN
bibechana-18385	92	76	are	be	AUX
bibechana-18385	92	77	the	the	DET
bibechana-18385	92	78	components	component	NOUN
bibechana-18385	92	79	of	of	ADP
bibechana-18385	92	80	dipole	dipole	NOUN
bibechana-18385	92	81	moment	moment	NOUN
bibechana-18385	92	82	,	,	PUNCT
bibechana-18385	92	83	polarizability	polarizability	NOUN
bibechana-18385	92	84	and	and	CCONJ
bibechana-18385	92	85	first	first	ADJ
bibechana-18385	92	86	hyperpolarizability	hyperpolarizability	NOUN
bibechana-18385	92	87	,	,	PUNCT
bibechana-18385	92	88	respectively	respectively	ADV
bibechana-18385	92	89	.	.	PUNCT
bibechana-18385	93	1	the	the	DET
bibechana-18385	93	2	components	component	NOUN
bibechana-18385	93	3	of	of	ADP
bibechana-18385	93	4	hyperpolarizability	hyperpolarizability	NOUN
bibechana-18385	93	5	tensor	tensor	NOUN
bibechana-18385	93	6	are	be	AUX
bibechana-18385	93	7	listed	list	VERB
bibechana-18385	93	8	in	in	ADP
bibechana-18385	93	9	the	the	DET
bibechana-18385	93	10	table	table	NOUN
bibechana-18385	93	11	4	4	NUM
bibechana-18385	93	12	.	.	PUNCT
bibechana-18385	93	13	bhawani	bhawani	PROPN
bibechana-18385	93	14	d.	d.	PROPN
bibechana-18385	93	15	joshi	joshi	PROPN
bibechana-18385	93	16	,	,	PUNCT
bibechana-18385	93	17	manoj	manoj	PROPN
bibechana-18385	93	18	k.	k.	PROPN
bibechana-18385	93	19	chaudhary/	chaudhary/	NUM
bibechana-18385	93	20	bibechana	bibechana	NOUN
bibechana-18385	93	21	15	15	NUM
bibechana-18385	93	22	(	(	PUNCT
bibechana-18385	93	23	2018	2018	NUM
bibechana-18385	93	24	)	)	PUNCT
bibechana-18385	93	25	131	131	NUM
bibechana-18385	93	26	-	-	SYM
bibechana-18385	93	27	139	139	NUM
bibechana-18385	93	28	:	:	PUNCT
bibechana-18385	93	29	rcost	rcost	NOUN
bibechana-18385	93	30	p.136	p.136	NOUN
bibechana-18385	93	31	table	table	NOUN
bibechana-18385	93	32	4.dipolemoment	4.dipolemoment	NUM
bibechana-18385	93	33	(	(	PUNCT
bibechana-18385	93	34	µ	µ	NOUN
bibechana-18385	93	35	;	;	PUNCT
bibechana-18385	93	36	debye	debye	ADJ
bibechana-18385	93	37	)	)	PUNCT
bibechana-18385	93	38	,	,	PUNCT
bibechana-18385	93	39	polarizability	polarizability	NOUN
bibechana-18385	93	40	(	(	PUNCT
bibechana-18385	93	41	α	α	PROPN
bibechana-18385	93	42	x10	x10	PROPN
bibechana-18385	93	43	-	-	SYM
bibechana-18385	93	44	24	24	NUM
bibechana-18385	93	45	esu	esu	NOUN
bibechana-18385	93	46	)	)	PUNCT
bibechana-18385	93	47	and	and	CCONJ
bibechana-18385	93	48	first	first	ADJ
bibechana-18385	93	49	hyperpolarizability	hyperpolarizability	NOUN
bibechana-18385	93	50	(	(	PUNCT
bibechana-18385	93	51	β0	β0	NOUN
bibechana-18385	93	52	x10	x10	PROPN
bibechana-18385	93	53	-	-	SYM
bibechana-18385	93	54	31	31	NUM
bibechana-18385	93	55	esu	esu	NOUN
bibechana-18385	93	56	)	)	PUNCT
bibechana-18385	93	57	by	by	ADP
bibechana-18385	93	58	b3lyp/6	b3lyp/6	PROPN
bibechana-18385	93	59	-	-	PROPN
bibechana-18385	93	60	311++	311++	ADJ
bibechana-18385	93	61	g(d	g(d	PROPN
bibechana-18385	93	62	,	,	PUNCT
bibechana-18385	93	63	p	p	NOUN
bibechana-18385	93	64	)	)	PUNCT
bibechana-18385	93	65	method	method	NOUN
bibechana-18385	93	66	.	.	PUNCT
bibechana-18385	94	1	dipole	dipole	NOUN
bibechana-18385	94	2	moment	moment	NOUN
bibechana-18385	94	3	polarizability	polarizability	NOUN
bibechana-18385	94	4	hyperpolarizability	hyperpolarizability	NOUN
bibechana-18385	94	5	μ$	μ$	NOUN
bibechana-18385	94	6	-2.5505	-2.5505	NOUN
bibechana-18385	95	1	α$$	α$$	ADJ
bibechana-18385	95	2	-95.1487	-95.1487	PUNCT
bibechana-18385	95	3	β$$$	β$$$	NOUN
bibechana-18385	95	4	6.4396	6.4396	NUM
bibechana-18385	95	5	μ%	μ%	NOUN
bibechana-18385	95	6	1.8587	1.8587	NUM
bibechana-18385	95	7	α%%	α%%	PROPN
bibechana-18385	95	8	-125.1014	-125.1014	NOUN
bibechana-18385	95	9	β%%%	β%%%	NOUN
bibechana-18385	96	1	9.9021	9.9021	NUM
bibechana-18385	96	2	μ	μ	NUM
bibechana-18385	96	3	&	&	CCONJ
bibechana-18385	96	4	-4.6646	-4.6646	PROPN
bibechana-18385	96	5	α	α	PROPN
bibechana-18385	96	6	&	&	PROPN
bibechana-18385	96	7	&	&	CCONJ
bibechana-18385	96	8	-124.3313	-124.3313	PROPN
bibechana-18385	96	9	β	β	PROPN
bibechana-18385	96	10	&	&	CCONJ
bibechana-18385	96	11	&	&	PROPN
bibechana-18385	96	12	&	&	CCONJ
bibechana-18385	96	13	4.3677	4.3677	NUM
bibechana-18385	96	14	μ	μ	NOUN
bibechana-18385	96	15	'	'	PROPN
bibechana-18385	96	16	5.6319	5.6319	NUM
bibechana-18385	96	17	4.2	4.2	NUM
bibechana-18385	96	18	(	(	PUNCT
bibechana-18385	96	19	urea	urea	PROPN
bibechana-18385	96	20	)	)	PUNCT
bibechana-18385	96	21	α$%	α$%	NOUN
bibechana-18385	96	22	-6.6784	-6.6784	NOUN
bibechana-18385	96	23	β$%%	β$%%	PROPN
bibechana-18385	96	24	-28.9734	-28.9734	PUNCT
bibechana-18385	96	25	α$	α$	PROPN
bibechana-18385	96	26	&	&	CCONJ
bibechana-18385	96	27	-2.1461	-2.1461	PROPN
bibechana-18385	96	28	β$$%	β$$%	PROPN
bibechana-18385	96	29	-19.6156	-19.6156	PUNCT
bibechana-18385	96	30	α%	α%	PROPN
bibechana-18385	96	31	&	&	CCONJ
bibechana-18385	96	32	0.6211	0.6211	NUM
bibechana-18385	96	33	β$$	β$$	ADJ
bibechana-18385	96	34	&	&	CCONJ
bibechana-18385	96	35	-36.0926	-36.0926	SYM
bibechana-18385	97	1	α0	α0	ADJ
bibechana-18385	97	2	17.0223	17.0223	NUM
bibechana-18385	97	3	β$	β$	NOUN
bibechana-18385	97	4	&	&	CCONJ
bibechana-18385	97	5	&	&	CCONJ
bibechana-18385	97	6	-5.6695	-5.6695	PUNCT
bibechana-18385	97	7	∆α	∆α	PROPN
bibechana-18385	97	8	35.0921	35.0921	NUM
bibechana-18385	97	9	β%	β%	PROPN
bibechana-18385	97	10	&	&	CCONJ
bibechana-18385	97	11	&	&	CCONJ
bibechana-18385	97	12	16.7140	16.7140	NUM
bibechana-18385	97	13	β%%	β%%	PROPN
bibechana-18385	97	14	&	&	CCONJ
bibechana-18385	97	15	-15.6364	-15.6364	PUNCT
bibechana-18385	97	16	β$%	β$%	PROPN
bibechana-18385	97	17	&	&	CCONJ
bibechana-18385	97	18	-10.6509	-10.6509	PUNCT
bibechana-18385	97	19	β0	β0	PROPN
bibechana-18385	97	20	4.8308	4.8308	NUM
bibechana-18385	97	21	1.947	1.947	NUM
bibechana-18385	97	22	(	(	PUNCT
bibechana-18385	97	23	urea	urea	PROPN
bibechana-18385	97	24	)	)	PUNCT
bibechana-18385	97	25	the	the	DET
bibechana-18385	97	26	total	total	ADJ
bibechana-18385	97	27	static	static	ADJ
bibechana-18385	97	28	dipole	dipole	NOUN
bibechana-18385	97	29	moment	moment	NOUN
bibechana-18385	97	30	(	(	PUNCT
bibechana-18385	97	31	μ	μ	NOUN
bibechana-18385	97	32	�	�	PROPN
bibechana-18385	97	33	)	)	PUNCT
bibechana-18385	97	34	,	,	PUNCT
bibechana-18385	97	35	mean	mean	VERB
bibechana-18385	97	36	polarizability	polarizability	NOUN
bibechana-18385	97	37	(	(	PUNCT
bibechana-18385	97	38	∆α	∆α	PROPN
bibechana-18385	97	39	�	�	PROPN
bibechana-18385	97	40	,	,	PUNCT
bibechana-18385	97	41	anisotropy	anisotropy	NOUN
bibechana-18385	97	42	of	of	ADP
bibechana-18385	97	43	polarizability	polarizability	NOUN
bibechana-18385	97	44	(	(	PUNCT
bibechana-18385	97	45	|α	|α	NOUN
bibechana-18385	97	46	�	�	PROPN
bibechana-18385	97	47	|	|	NOUN
bibechana-18385	97	48	�	�	PROPN
bibechana-18385	97	49	and	and	CCONJ
bibechana-18385	97	50	first	first	ADJ
bibechana-18385	97	51	hyperpolarizability	hyperpolarizability	NOUN
bibechana-18385	97	52	(	(	PUNCT
bibechana-18385	97	53	β	β	X
bibechana-18385	97	54	�	�	NOUN
bibechana-18385	97	55	�	�	PROPN
bibechana-18385	97	56	can	can	AUX
bibechana-18385	97	57	be	be	AUX
bibechana-18385	97	58	expressed	express	VERB
bibechana-18385	97	59	as	as	ADP
bibechana-18385	97	60	[	[	X
bibechana-18385	97	61	20	20	NUM
bibechana-18385	97	62	]	]	SYM
bibechana-18385	97	63	:	:	PUNCT
bibechana-18385	97	64	μ	μ	NUM
bibechana-18385	97	65	�	�	PROPN
bibechana-18385	97	66	�	�	PROPN
bibechana-18385	97	67	(	(	PUNCT
bibechana-18385	97	68	μ$	μ$	NUM
bibechana-18385	97	69	�	�	PROPN
bibechana-18385	97	70	+	+	CCONJ
bibechana-18385	97	71	μ%	μ%	PROPN
bibechana-18385	97	72	�	�	PROPN
bibechana-18385	97	73	+	+	CCONJ
bibechana-18385	97	74	μ&	μ&	PROPN
bibechana-18385	97	75	�	�	PROPN
bibechana-18385	97	76	*+	*+	PUNCT
bibechana-18385	97	77	�	�	PROPN
bibechana-18385	97	78	⁄	⁄	PROPN
bibechana-18385	97	79	|α	|α	NOUN
bibechana-18385	97	80	�	�	PROPN
bibechana-18385	97	81	|	|	ADJ
bibechana-18385	97	82	�	�	PROPN
bibechana-18385	97	83	13	13	NUM
bibechana-18385	97	84	(	(	PUNCT
bibechana-18385	97	85	α$$	α$$	VERB
bibechana-18385	97	86	+	+	CCONJ
bibechana-18385	97	87	α%%	α%%	PROPN
bibechana-18385	97	88	+	+	CCONJ
bibechana-18385	97	89	α	α	PROPN
bibechana-18385	97	90	&	&	CCONJ
bibechana-18385	97	91	&	&	CCONJ
bibechana-18385	97	92	*	*	PROPN
bibechana-18385	97	93	∆α	∆α	PROPN
bibechana-18385	97	94	�	�	PROPN
bibechana-18385	97	95	12	12	NUM
bibechana-18385	97	96	-(α$$	-(α$$	PRON
bibechana-18385	97	97	�	�	PROPN
bibechana-18385	97	98	α%%	α%%	PROPN
bibechana-18385	97	99	*	*	PROPN
bibechana-18385	97	100	�	�	PROPN
bibechana-18385	97	101	+	+	CCONJ
bibechana-18385	97	102	(	(	PUNCT
bibechana-18385	97	103	α%%	α%%	PROPN
bibechana-18385	97	104	�	�	PROPN
bibechana-18385	97	105	α	α	PROPN
bibechana-18385	97	106	&	&	PROPN
bibechana-18385	97	107	&	&	CCONJ
bibechana-18385	97	108	*	*	PROPN
bibechana-18385	97	109	�	�	PROPN
bibechana-18385	97	110	+	+	CCONJ
bibechana-18385	97	111	�	�	PROPN
bibechana-18385	97	112	α	α	PROPN
bibechana-18385	97	113	&	&	PROPN
bibechana-18385	97	114	&	&	CCONJ
bibechana-18385	97	115	�	�	PROPN
bibechana-18385	97	116	α$$	α$$	PROPN
bibechana-18385	97	117	�	�	PROPN
bibechana-18385	97	118	�	�	PROPN
bibechana-18385	97	119	+	+	CCONJ
bibechana-18385	97	120	6α$$	6α$$	NUM
bibechana-18385	97	121	�	�	PROPN
bibechana-18385	97	122	.+	.+	PROPN
bibechana-18385	97	123	�	�	PROPN
bibechana-18385	97	124	⁄	⁄	PROPN
bibechana-18385	97	125	β	β	PROPN
bibechana-18385	97	126	�	�	PROPN
bibechana-18385	97	127	�	�	PROPN
bibechana-18385	97	128	-(β$$$	-(β$$$	PROPN
bibechana-18385	98	1	+	+	CCONJ
bibechana-18385	98	2	β$%%	β$%%	PROPN
bibechana-18385	98	3	+	+	NUM
bibechana-18385	98	4	β$	β$	X
bibechana-18385	98	5	&	&	CCONJ
bibechana-18385	98	6	&	&	CCONJ
bibechana-18385	98	7	*	*	PROPN
bibechana-18385	98	8	�	�	PROPN
bibechana-18385	98	9	+	+	CCONJ
bibechana-18385	98	10	(	(	PUNCT
bibechana-18385	98	11	β%%%	β%%%	ADJ
bibechana-18385	98	12	+	+	NUM
bibechana-18385	98	13	β$$%	β$$%	X
bibechana-18385	98	14	+	+	CCONJ
bibechana-18385	98	15	β%	β%	PROPN
bibechana-18385	98	16	&	&	CCONJ
bibechana-18385	98	17	&	&	CCONJ
bibechana-18385	98	18	*	*	PROPN
bibechana-18385	98	19	�	�	PROPN
bibechana-18385	98	20	+	+	CCONJ
bibechana-18385	98	21	(	(	PUNCT
bibechana-18385	98	22	β	β	X
bibechana-18385	98	23	&	&	CCONJ
bibechana-18385	98	24	&	&	CCONJ
bibechana-18385	98	25	&	&	CCONJ
bibechana-18385	98	26	+	+	PROPN
bibechana-18385	98	27	β$$	β$$	PROPN
bibechana-18385	98	28	&	&	CCONJ
bibechana-18385	98	29	+	+	ADJ
bibechana-18385	98	30	β%%&*	β%%&*	PROPN
bibechana-18385	98	31	�	�	PROPN
bibechana-18385	98	32	.+	.+	NOUN
bibechana-18385	98	33	�	�	PROPN
bibechana-18385	99	1	⁄	⁄	ADP
bibechana-18385	99	2	the	the	DET
bibechana-18385	99	3	dipole	dipole	NOUN
bibechana-18385	99	4	moment	moment	NOUN
bibechana-18385	99	5	,	,	PUNCT
bibechana-18385	99	6	mean	mean	VERB
bibechana-18385	99	7	polarizability	polarizability	NOUN
bibechana-18385	99	8	,	,	PUNCT
bibechana-18385	99	9	anisotropy	anisotropy	NOUN
bibechana-18385	99	10	of	of	ADP
bibechana-18385	99	11	polarizability	polarizability	NOUN
bibechana-18385	99	12	and	and	CCONJ
bibechana-18385	99	13	first	first	ADJ
bibechana-18385	99	14	hyperpolarizability	hyperpolarizability	NOUN
bibechana-18385	99	15	of	of	ADP
bibechana-18385	99	16	the	the	DET
bibechana-18385	99	17	title	title	NOUN
bibechana-18385	99	18	compound	compound	NOUN
bibechana-18385	99	19	have	have	AUX
bibechana-18385	99	20	been	be	AUX
bibechana-18385	99	21	calculated	calculate	VERB
bibechana-18385	99	22	and	and	CCONJ
bibechana-18385	99	23	listed	list	VERB
bibechana-18385	99	24	in	in	ADP
bibechana-18385	99	25	the	the	DET
bibechana-18385	99	26	table	table	NOUN
bibechana-18385	99	27	4	4	NUM
bibechana-18385	99	28	.	.	PUNCT
bibechana-18385	100	1	these	these	DET
bibechana-18385	100	2	values	value	NOUN
bibechana-18385	100	3	are	be	AUX
bibechana-18385	100	4	found	find	VERB
bibechana-18385	100	5	to	to	PART
bibechana-18385	100	6	be	be	AUX
bibechana-18385	100	7	higher	high	ADJ
bibechana-18385	100	8	than	than	ADP
bibechana-18385	100	9	that	that	PRON
bibechana-18385	100	10	of	of	ADP
bibechana-18385	100	11	the	the	DET
bibechana-18385	100	12	standard	standard	ADJ
bibechana-18385	100	13	nlo	nlo	PROPN
bibechana-18385	100	14	material	material	PROPN
bibechana-18385	100	15	urea	urea	NOUN
bibechana-18385	101	1	[	[	X
bibechana-18385	101	2	21	21	NUM
bibechana-18385	101	3	]	]	PUNCT
bibechana-18385	101	4	.	.	PUNCT
bibechana-18385	102	1	in	in	ADP
bibechana-18385	102	2	this	this	DET
bibechana-18385	102	3	study	study	NOUN
bibechana-18385	102	4	the	the	DET
bibechana-18385	102	5	first	first	ADJ
bibechana-18385	102	6	hyperpolarizability	hyperpolarizability	NOUN
bibechana-18385	102	7	has	have	AUX
bibechana-18385	102	8	been	be	AUX
bibechana-18385	102	9	calculated	calculate	VERB
bibechana-18385	102	10	nearly	nearly	ADV
bibechana-18385	102	11	2	2	NUM
bibechana-18385	102	12	times	time	NOUN
bibechana-18385	102	13	that	that	PRON
bibechana-18385	102	14	of	of	ADP
bibechana-18385	102	15	urea	urea	NOUN
bibechana-18385	102	16	.	.	PUNCT
bibechana-18385	103	1	hence	hence	ADV
bibechana-18385	103	2	,	,	PUNCT
bibechana-18385	103	3	the	the	DET
bibechana-18385	103	4	higher	high	ADJ
bibechana-18385	103	5	value	value	NOUN
bibechana-18385	103	6	of	of	ADP
bibechana-18385	103	7	βo	βo	PROPN
bibechana-18385	103	8	shows	show	VERB
bibechana-18385	103	9	that	that	SCONJ
bibechana-18385	103	10	the	the	DET
bibechana-18385	103	11	investigated	investigate	VERB
bibechana-18385	103	12	compound	compound	NOUN
bibechana-18385	103	13	has	have	VERB
bibechana-18385	103	14	good	good	ADJ
bibechana-18385	103	15	nonlinear	nonlinear	ADJ
bibechana-18385	103	16	property	property	NOUN
bibechana-18385	103	17	.	.	PUNCT
bibechana-18385	104	1	3.3	3.3	NUM
bibechana-18385	104	2	thermodynamic	thermodynamic	ADJ
bibechana-18385	104	3	properties	property	NOUN
bibechana-18385	104	4	computation	computation	NOUN
bibechana-18385	104	5	of	of	ADP
bibechana-18385	104	6	thermodynamic	thermodynamic	ADJ
bibechana-18385	104	7	properties	property	NOUN
bibechana-18385	104	8	of	of	ADP
bibechana-18385	104	9	molecules	molecule	NOUN
bibechana-18385	104	10	is	be	AUX
bibechana-18385	104	11	important	important	ADJ
bibechana-18385	104	12	for	for	ADP
bibechana-18385	104	13	both	both	CCONJ
bibechana-18385	104	14	thermochemistry	thermochemistry	NOUN
bibechana-18385	104	15	and	and	CCONJ
bibechana-18385	104	16	chemical	chemical	NOUN
bibechana-18385	104	17	equilibrium	equilibrium	NOUN
bibechana-18385	104	18	.	.	PUNCT
bibechana-18385	105	1	statistical	statistical	ADJ
bibechana-18385	105	2	thermodynamics	thermodynamic	NOUN
bibechana-18385	105	3	with	with	ADP
bibechana-18385	105	4	the	the	DET
bibechana-18385	105	5	two	two	NUM
bibechana-18385	105	6	key	key	ADJ
bibechana-18385	105	7	ideas	idea	NOUN
bibechana-18385	105	8	,	,	PUNCT
bibechana-18385	105	9	boltzmann	boltzmann	PROPN
bibechana-18385	105	10	distribution	distribution	NOUN
bibechana-18385	105	11	and	and	CCONJ
bibechana-18385	105	12	the	the	DET
bibechana-18385	105	13	partition	partition	NOUN
bibechana-18385	105	14	function	function	NOUN
bibechana-18385	105	15	leads	lead	VERB
bibechana-18385	105	16	to	to	ADP
bibechana-18385	105	17	the	the	DET
bibechana-18385	105	18	derivation	derivation	NOUN
bibechana-18385	105	19	of	of	ADP
bibechana-18385	105	20	the	the	DET
bibechana-18385	105	21	equations	equation	NOUN
bibechana-18385	105	22	utilized	utilize	VERB
bibechana-18385	105	23	for	for	ADP
bibechana-18385	105	24	computing	compute	VERB
bibechana-18385	105	25	thermochemical	thermochemical	ADJ
bibechana-18385	105	26	data	datum	NOUN
bibechana-18385	105	27	in	in	ADP
bibechana-18385	105	28	gaussian	gaussian	ADJ
bibechana-18385	105	29	programs	program	NOUN
bibechana-18385	105	30	.	.	PUNCT
bibechana-18385	106	1	the	the	DET
bibechana-18385	106	2	total	total	ADJ
bibechana-18385	106	3	energy	energy	NOUN
bibechana-18385	106	4	,	,	PUNCT
bibechana-18385	106	5	zero	zero	NUM
bibechana-18385	106	6	-	-	PUNCT
bibechana-18385	106	7	point	point	NOUN
bibechana-18385	106	8	energy	energy	NOUN
bibechana-18385	106	9	,	,	PUNCT
bibechana-18385	106	10	heat	heat	NOUN
bibechana-18385	106	11	capacity	capacity	NOUN
bibechana-18385	106	12	(	(	PUNCT
bibechana-18385	106	13	c0	c0	NOUN
bibechana-18385	106	14	�	�	PROPN
bibechana-18385	106	15	)	)	PUNCT
bibechana-18385	106	16	,	,	PUNCT
bibechana-18385	106	17	entropy	entropy	NOUN
bibechana-18385	106	18	(	(	PUNCT
bibechana-18385	106	19	s2,0	s2,0	PROPN
bibechana-18385	106	20	�	�	PROPN
bibechana-18385	106	21	)	)	PUNCT
bibechana-18385	106	22	,	,	PUNCT
bibechana-18385	106	23	enthalpy	enthalpy	NOUN
bibechana-18385	106	24	(	(	PUNCT
bibechana-18385	106	25	h0	h0	NOUN
bibechana-18385	106	26	�	�	PROPN
bibechana-18385	106	27	)	)	PUNCT
bibechana-18385	106	28	,	,	PUNCT
bibechana-18385	106	29	dipole	dipole	NOUN
bibechana-18385	106	30	moment	moment	NOUN
bibechana-18385	106	31	and	and	CCONJ
bibechana-18385	106	32	the	the	DET
bibechana-18385	106	33	rotational	rotational	ADJ
bibechana-18385	106	34	constants	constant	NOUN
bibechana-18385	106	35	of	of	ADP
bibechana-18385	106	36	the	the	DET
bibechana-18385	106	37	molecular	molecular	ADJ
bibechana-18385	106	38	system	system	NOUN
bibechana-18385	106	39	were	be	AUX
bibechana-18385	106	40	obtained	obtain	VERB
bibechana-18385	106	41	directly	directly	ADV
bibechana-18385	106	42	from	from	ADP
bibechana-18385	106	43	the	the	DET
bibechana-18385	106	44	output	output	NOUN
bibechana-18385	106	45	of	of	ADP
bibechana-18385	106	46	gaussian	gaussian	ADJ
bibechana-18385	106	47	calculation	calculation	NOUN
bibechana-18385	106	48	employing	employ	VERB
bibechana-18385	106	49	b3lyp/6	b3lyp/6	PROPN
bibechana-18385	106	50	-	-	X
bibechana-18385	106	51	311g(d.p	311g(d.p	NUM
bibechana-18385	106	52	)	)	PUNCT
bibechana-18385	106	53	basis	basis	NOUN
bibechana-18385	106	54	set	set	VERB
bibechana-18385	106	55	and	and	CCONJ
bibechana-18385	106	56	are	be	AUX
bibechana-18385	106	57	listed	list	VERB
bibechana-18385	106	58	in	in	ADP
bibechana-18385	106	59	the	the	DET
bibechana-18385	106	60	tables	table	NOUN
bibechana-18385	106	61	5	5	NUM
bibechana-18385	106	62	(	(	PUNCT
bibechana-18385	106	63	a	a	PRON
bibechana-18385	106	64	&	&	CCONJ
bibechana-18385	106	65	b	b	NOUN
bibechana-18385	106	66	)	)	PUNCT
bibechana-18385	106	67	.	.	PUNCT
bibechana-18385	107	1	table	table	NOUN
bibechana-18385	107	2	5(a	5(a	NUM
bibechana-18385	107	3	)	)	PUNCT
bibechana-18385	107	4	.	.	PUNCT
bibechana-18385	108	1	variation	variation	NOUN
bibechana-18385	108	2	of	of	ADP
bibechana-18385	108	3	different	different	ADJ
bibechana-18385	108	4	thermodynamic	thermodynamic	ADJ
bibechana-18385	108	5	parameters	parameter	NOUN
bibechana-18385	108	6	with	with	ADP
bibechana-18385	108	7	temperature	temperature	NOUN
bibechana-18385	108	8	.	.	PUNCT
bibechana-18385	109	1	temp	temp	NOUN
bibechana-18385	109	2	(	(	PUNCT
bibechana-18385	109	3	k	k	NOUN
bibechana-18385	109	4	)	)	PUNCT
bibechana-18385	109	5	enthalpy	enthalpy	NOUN
bibechana-18385	109	6	(	(	PUNCT
bibechana-18385	109	7	kcal	kcal	PROPN
bibechana-18385	109	8	/	/	SYM
bibechana-18385	109	9	mol	mol	NOUN
bibechana-18385	109	10	)	)	PUNCT
bibechana-18385	109	11	specific	specific	ADJ
bibechana-18385	109	12	heat	heat	NOUN
bibechana-18385	109	13	(	(	PUNCT
bibechana-18385	109	14	cal	cal	PROPN
bibechana-18385	109	15	/	/	SYM
bibechana-18385	109	16	mol	mol	ADP
bibechana-18385	109	17	-	-	PUNCT
bibechana-18385	109	18	k	k	NOUN
bibechana-18385	109	19	)	)	PUNCT
bibechana-18385	109	20	entropy	entropy	NOUN
bibechana-18385	109	21	(	(	PUNCT
bibechana-18385	109	22	cal	cal	PROPN
bibechana-18385	109	23	/	/	SYM
bibechana-18385	109	24	mol	mol	ADP
bibechana-18385	109	25	-	-	PUNCT
bibechana-18385	109	26	k	k	NOUN
bibechana-18385	109	27	)	)	PUNCT
bibechana-18385	109	28	100	100	NUM
bibechana-18385	109	29	141.533	141.533	NUM
bibechana-18385	109	30	23.442	23.442	NUM
bibechana-18385	109	31	79.872	79.872	NUM
bibechana-18385	109	32	200	200	NUM
bibechana-18385	109	33	144.808	144.808	NUM
bibechana-18385	109	34	42.245	42.245	NUM
bibechana-18385	109	35	103.205	103.205	NUM
bibechana-18385	109	36	300	300	NUM
bibechana-18385	109	37	150.005	150.005	NUM
bibechana-18385	109	38	61.648	61.648	NUM
bibechana-18385	109	39	124.810	124.810	NUM
bibechana-18385	109	40	400	400	NUM
bibechana-18385	109	41	157.087	157.087	NUM
bibechana-18385	109	42	79.568	79.568	NUM
bibechana-18385	109	43	145.639	145.639	NUM
bibechana-18385	109	44	500	500	NUM
bibechana-18385	109	45	165.817	165.817	NUM
bibechana-18385	109	46	94.504	94.504	NUM
bibechana-18385	109	47	165.501	165.501	NUM
bibechana-18385	109	48	600	600	NUM
bibechana-18385	109	49	175.887	175.887	NUM
bibechana-18385	109	50	106.439	106.439	NUM
bibechana-18385	109	51	184.190	184.190	NUM
bibechana-18385	109	52	700	700	NUM
bibechana-18385	109	53	187.024	187.024	NUM
bibechana-18385	109	54	115.953	115.953	NUM
bibechana-18385	109	55	201.647	201.647	NUM
bibechana-18385	109	56	800	800	NUM
bibechana-18385	109	57	198.963	198.963	NUM
bibechana-18385	109	58	123.673	123.673	NUM
bibechana-18385	109	59	218.447	218.447	NUM
bibechana-18385	109	60	bhawani	bhawani	NOUN
bibechana-18385	109	61	d.	d.	PROPN
bibechana-18385	109	62	joshi	joshi	PROPN
bibechana-18385	109	63	,	,	PUNCT
bibechana-18385	109	64	manoj	manoj	PROPN
bibechana-18385	109	65	k.	k.	PROPN
bibechana-18385	110	1	chaudhary/	chaudhary/	NUM
bibechana-18385	110	2	bibechana	bibechana	NOUN
bibechana-18385	110	3	15	15	NUM
bibechana-18385	110	4	(	(	PUNCT
bibechana-18385	110	5	2018	2018	NUM
bibechana-18385	110	6	)	)	PUNCT
bibechana-18385	110	7	131	131	NUM
bibechana-18385	110	8	-	-	SYM
bibechana-18385	110	9	139	139	NUM
bibechana-18385	110	10	:	:	PUNCT
bibechana-18385	110	11	rcost	rcost	NOUN
bibechana-18385	110	12	p.137	p.137	NOUN
bibechana-18385	110	13	the	the	DET
bibechana-18385	110	14	correlation	correlation	NOUN
bibechana-18385	110	15	between	between	ADP
bibechana-18385	110	16	temperature	temperature	NOUN
bibechana-18385	110	17	and	and	CCONJ
bibechana-18385	110	18	these	these	DET
bibechana-18385	110	19	thermodynamic	thermodynamic	ADJ
bibechana-18385	110	20	properties	property	NOUN
bibechana-18385	110	21	are	be	AUX
bibechana-18385	110	22	given	give	VERB
bibechana-18385	110	23	in	in	ADP
bibechana-18385	110	24	figure3	figure3	PROPN
bibechana-18385	110	25	.	.	PUNCT
bibechana-18385	111	1	the	the	DET
bibechana-18385	111	2	correlation	correlation	NOUN
bibechana-18385	111	3	equations	equation	NOUN
bibechana-18385	111	4	are	be	AUX
bibechana-18385	111	5	as	as	SCONJ
bibechana-18385	111	6	follows	follow	VERB
bibechana-18385	111	7	:	:	PUNCT
bibechana-18385	111	8	h0	h0	PROPN
bibechana-18385	111	9	�	�	PROPN
bibechana-18385	111	10	�	�	PROPN
bibechana-18385	111	11	138.660893	138.660893	NUM
bibechana-18385	111	12	+	+	CCONJ
bibechana-18385	111	13	0.01732	0.01732	NUM
bibechana-18385	111	14	t	t	NOUN
bibechana-18385	111	15	+	+	CCONJ
bibechana-18385	111	16	7.32786	7.32786	NUM
bibechana-18385	111	17	x10<=t	x10<=t	PROPN
bibechana-18385	111	18	�	�	PROPN
bibechana-18385	111	19	�	�	PROPN
bibechana-18385	111	20	r	r	NOUN
bibechana-18385	111	21	�	�	PROPN
bibechana-18385	111	22	�	�	PROPN
bibechana-18385	111	23	0.99966	0.99966	NUM
bibechana-18385	111	24	�	�	PROPN
bibechana-18385	111	25	s0	s0	PROPN
bibechana-18385	111	26	�	�	PROPN
bibechana-18385	111	27	�	�	PROPN
bibechana-18385	111	28	55.97127	55.97127	NUM
bibechana-18385	111	29	+	+	CCONJ
bibechana-18385	111	30	0.24566	0.24566	NUM
bibechana-18385	111	31	t	t	NOUN
bibechana-18385	111	32	�	�	PROPN
bibechana-18385	111	33	5.33423	5.33423	NUM
bibechana-18385	111	34	x10<=t	x10<=t	PROPN
bibechana-18385	111	35	�	�	PROPN
bibechana-18385	111	36	�	�	PROPN
bibechana-18385	111	37	r	r	NOUN
bibechana-18385	111	38	�	�	PROPN
bibechana-18385	111	39	�	�	PROPN
bibechana-18385	111	40	0.9999	0.9999	NUM
bibechana-18385	111	41	�	�	PROPN
bibechana-18385	111	42	c2,0	c2,0	PROPN
bibechana-18385	111	43	�	�	PROPN
bibechana-18385	111	44	�	�	PROPN
bibechana-18385	111	45	�	�	PROPN
bibechana-18385	111	46	1.05686	1.05686	NUM
bibechana-18385	111	47	+	+	NUM
bibechana-18385	111	48	0.24515	0.24515	NUM
bibechana-18385	111	49	t	t	NOUN
bibechana-18385	111	50	�	�	PROPN
bibechana-18385	111	51	1.11082	1.11082	NUM
bibechana-18385	111	52	x10	x10	NOUN
bibechana-18385	111	53	<	<	X
bibechana-18385	111	54	at	at	ADP
bibechana-18385	111	55	�	�	PROPN
bibechana-18385	111	56	�	�	PROPN
bibechana-18385	111	57	r	r	NOUN
bibechana-18385	111	58	�	�	PROPN
bibechana-18385	111	59	�	�	PROPN
bibechana-18385	111	60	0.9995	0.9995	NUM
bibechana-18385	111	61	�	�	PROPN
bibechana-18385	111	62	table	table	NOUN
bibechana-18385	111	63	5(b	5(b	NUM
bibechana-18385	111	64	)	)	PUNCT
bibechana-18385	111	65	.	.	PUNCT
bibechana-18385	112	1	different	different	ADJ
bibechana-18385	112	2	thermodynamic	thermodynamic	ADJ
bibechana-18385	112	3	parameters	parameter	NOUN
bibechana-18385	112	4	at	at	ADP
bibechana-18385	112	5	room	room	NOUN
bibechana-18385	112	6	temperature	temperature	NOUN
bibechana-18385	112	7	.	.	PUNCT
bibechana-18385	113	1	parameters	parameter	NOUN
bibechana-18385	113	2	dft/6	dft/6	PROPN
bibechana-18385	113	3	-	-	PUNCT
bibechana-18385	113	4	311++g(d	311++g(d	PROPN
bibechana-18385	113	5	,	,	PUNCT
bibechana-18385	113	6	p	p	NOUN
bibechana-18385	113	7	)	)	PUNCT
bibechana-18385	113	8	total	total	ADJ
bibechana-18385	113	9	energy	energy	NOUN
bibechana-18385	113	10	(	(	PUNCT
bibechana-18385	113	11	hartree	hartree	ADJ
bibechana-18385	113	12	)	)	PUNCT
bibechana-18385	113	13	-1218.8951192	-1218.8951192	PRON
bibechana-18385	113	14	zero	zero	NUM
bibechana-18385	113	15	-	-	PUNCT
bibechana-18385	113	16	point	point	NOUN
bibechana-18385	113	17	vibrational	vibrational	ADJ
bibechana-18385	113	18	energy	energy	NOUN
bibechana-18385	113	19	(	(	PUNCT
bibechana-18385	113	20	kcal	kcal	NOUN
bibechana-18385	113	21	/	/	SYM
bibechana-18385	113	22	mol	mol	NOUN
bibechana-18385	113	23	)	)	PUNCT
bibechana-18385	113	24	140.14841	140.14841	NUM
bibechana-18385	113	25	rotational	rotational	ADJ
bibechana-18385	113	26	constants	constant	NOUN
bibechana-18385	113	27	(	(	PUNCT
bibechana-18385	113	28	ghz	ghz	NOUN
bibechana-18385	113	29	)	)	PUNCT
bibechana-18385	113	30	0.48096	0.48096	NUM
bibechana-18385	113	31	0.37617	0.37617	NUM
bibechana-18385	113	32	0.27138	0.27138	NUM
bibechana-18385	113	33	enthalpy	enthalpy	NOUN
bibechana-18385	113	34	(	(	PUNCT
bibechana-18385	113	35	kcal	kcal	PROPN
bibechana-18385	113	36	/	/	SYM
bibechana-18385	113	37	mol	mol	NOUN
bibechana-18385	113	38	)	)	PUNCT
bibechana-18385	113	39	149.891	149.891	NUM
bibechana-18385	113	40	specific	specific	ADJ
bibechana-18385	113	41	heat	heat	NOUN
bibechana-18385	113	42	(	(	PUNCT
bibechana-18385	113	43	cal	cal	PROPN
bibechana-18385	113	44	/	/	SYM
bibechana-18385	113	45	mol	mol	ADP
bibechana-18385	113	46	-	-	PUNCT
bibechana-18385	113	47	k	k	NOUN
bibechana-18385	113	48	)	)	PUNCT
bibechana-18385	113	49	61.295	61.295	NUM
bibechana-18385	113	50	entropy	entropy	NOUN
bibechana-18385	113	51	(	(	PUNCT
bibechana-18385	113	52	cal	cal	PROPN
bibechana-18385	113	53	/	/	SYM
bibechana-18385	113	54	mol	mol	ADP
bibechana-18385	113	55	-	-	PUNCT
bibechana-18385	113	56	k	k	NOUN
bibechana-18385	113	57	)	)	PUNCT
bibechana-18385	113	58	124.424	124.424	NUM
bibechana-18385	113	59	fig	fig	NOUN
bibechana-18385	113	60	.	.	PUNCT
bibechana-18385	114	1	3	3	NUM
bibechana-18385	114	2	:	:	PUNCT
bibechana-18385	114	3	correlation	correlation	NOUN
bibechana-18385	114	4	between	between	ADP
bibechana-18385	114	5	different	different	ADJ
bibechana-18385	114	6	thermodynamic	thermodynamic	ADJ
bibechana-18385	114	7	properties	property	NOUN
bibechana-18385	114	8	with	with	ADP
bibechana-18385	114	9	the	the	DET
bibechana-18385	114	10	temperature	temperature	NOUN
bibechana-18385	114	11	.	.	PUNCT
bibechana-18385	115	1	it	it	PRON
bibechana-18385	115	2	is	be	AUX
bibechana-18385	115	3	observed	observe	VERB
bibechana-18385	115	4	that	that	SCONJ
bibechana-18385	115	5	the	the	DET
bibechana-18385	115	6	parameters	parameter	NOUN
bibechana-18385	115	7	increase	increase	VERB
bibechana-18385	115	8	from	from	ADP
bibechana-18385	115	9	100	100	NUM
bibechana-18385	115	10	to	to	PART
bibechana-18385	115	11	800	800	NUM
bibechana-18385	115	12	k	k	NOUN
bibechana-18385	115	13	due	due	ADP
bibechana-18385	115	14	to	to	ADP
bibechana-18385	115	15	the	the	DET
bibechana-18385	115	16	increase	increase	NOUN
bibechana-18385	115	17	in	in	ADP
bibechana-18385	115	18	the	the	DET
bibechana-18385	115	19	molecular	molecular	ADJ
bibechana-18385	115	20	vibrational	vibrational	ADJ
bibechana-18385	115	21	intensities	intensity	NOUN
bibechana-18385	115	22	with	with	ADP
bibechana-18385	115	23	the	the	DET
bibechana-18385	115	24	temperature	temperature	NOUN
bibechana-18385	115	25	.	.	PUNCT
bibechana-18385	116	1	4	4	X
bibechana-18385	116	2	.	.	X
bibechana-18385	116	3	conclusion	conclusion	NOUN
bibechana-18385	116	4	using	use	VERB
bibechana-18385	116	5	nbo	nbo	PROPN
bibechana-18385	116	6	studies	study	NOUN
bibechana-18385	116	7	stability	stability	NOUN
bibechana-18385	116	8	of	of	ADP
bibechana-18385	116	9	the	the	DET
bibechana-18385	116	10	molecule	molecule	NOUN
bibechana-18385	116	11	arising	arise	VERB
bibechana-18385	116	12	from	from	ADP
bibechana-18385	116	13	hyperconjugative	hyperconjugative	ADJ
bibechana-18385	116	14	interaction	interaction	NOUN
bibechana-18385	116	15	and	and	CCONJ
bibechana-18385	116	16	charge	charge	NOUN
bibechana-18385	116	17	delocalization	delocalization	NOUN
bibechana-18385	116	18	has	have	AUX
bibechana-18385	116	19	been	be	AUX
bibechana-18385	116	20	predicted	predict	VERB
bibechana-18385	116	21	by	by	ADP
bibechana-18385	116	22	b3lyp/6	b3lyp/6	NOUN
bibechana-18385	116	23	-	-	NOUN
bibechana-18385	116	24	311++g(d	311++g(d	PROPN
bibechana-18385	116	25	,	,	PUNCT
bibechana-18385	116	26	p	p	NOUN
bibechana-18385	116	27	)	)	PUNCT
bibechana-18385	116	28	method	method	NOUN
bibechana-18385	116	29	.	.	PUNCT
bibechana-18385	117	1	the	the	DET
bibechana-18385	117	2	�	�	PROPN
bibechana-18385	117	3	→	→	SYM
bibechana-18385	117	4	�	�	PROPN
bibechana-18385	117	5	*	*	NOUN
bibechana-18385	117	6	interactions	interaction	NOUN
bibechana-18385	117	7	are	be	AUX
bibechana-18385	117	8	responsible	responsible	ADJ
bibechana-18385	117	9	for	for	ADP
bibechana-18385	117	10	the	the	DET
bibechana-18385	117	11	conjugation	conjugation	NOUN
bibechana-18385	117	12	of	of	ADP
bibechana-18385	117	13	respective	respective	ADJ
bibechana-18385	117	14	�	�	PROPN
bibechana-18385	117	15	-bonds	-bond	NOUN
bibechana-18385	117	16	within	within	ADP
bibechana-18385	117	17	aromatic	aromatic	ADJ
bibechana-18385	117	18	rings	ring	NOUN
bibechana-18385	117	19	r1	r1	NOUN
bibechana-18385	117	20	and	and	CCONJ
bibechana-18385	117	21	r3	r3	PROPN
bibechana-18385	117	22	with	with	ADP
bibechana-18385	117	23	maximum	maximum	ADJ
bibechana-18385	117	24	energy	energy	NOUN
bibechana-18385	117	25	~	~	PUNCT
bibechana-18385	117	26	195	195	NUM
bibechana-18385	117	27	,	,	PUNCT
bibechana-18385	117	28	and	and	CCONJ
bibechana-18385	117	29	135	135	NUM
bibechana-18385	117	30	kcal	kcal	NOUN
bibechana-18385	117	31	/	/	SYM
bibechana-18385	117	32	mol	mol	PROPN
bibechana-18385	117	33	,	,	PUNCT
bibechana-18385	117	34	respectively	respectively	ADV
bibechana-18385	117	35	.	.	PUNCT
bibechana-18385	118	1	the	the	DET
bibechana-18385	118	2	calculated	calculate	VERB
bibechana-18385	118	3	data	datum	NOUN
bibechana-18385	118	4	suggest	suggest	VERB
bibechana-18385	118	5	an	an	DET
bibechana-18385	118	6	extended	extended	ADJ
bibechana-18385	118	7	π	π	NOUN
bibechana-18385	118	8	-	-	NOUN
bibechana-18385	118	9	electron	electron	NOUN
bibechana-18385	118	10	delocalization	delocalization	NOUN
bibechana-18385	118	11	in	in	ADP
bibechana-18385	118	12	the	the	DET
bibechana-18385	118	13	system	system	NOUN
bibechana-18385	118	14	is	be	AUX
bibechana-18385	118	15	responsible	responsible	ADJ
bibechana-18385	118	16	for	for	ADP
bibechana-18385	118	17	the	the	DET
bibechana-18385	118	18	nonlinearity	nonlinearity	NOUN
bibechana-18385	118	19	of	of	ADP
bibechana-18385	118	20	the	the	DET
bibechana-18385	118	21	title	title	NOUN
bibechana-18385	118	22	compound	compound	NOUN
bibechana-18385	118	23	.	.	PUNCT
bibechana-18385	119	1	due	due	ADP
bibechana-18385	119	2	to	to	PART
bibechana-18385	119	3	increase	increase	VERB
bibechana-18385	119	4	in	in	ADP
bibechana-18385	119	5	vibrational	vibrational	ADJ
bibechana-18385	119	6	frequencies	frequency	NOUN
bibechana-18385	119	7	the	the	DET
bibechana-18385	119	8	thermodynamic	thermodynamic	ADJ
bibechana-18385	119	9	properties	property	NOUN
bibechana-18385	119	10	also	also	ADV
bibechana-18385	119	11	vary	vary	VERB
bibechana-18385	119	12	with	with	ADP
bibechana-18385	119	13	the	the	DET
bibechana-18385	119	14	temperature	temperature	NOUN
bibechana-18385	119	15	.	.	PUNCT
bibechana-18385	120	1	acknowledgements	acknowledgement	NOUN
bibechana-18385	120	2	thanks	thank	NOUN
bibechana-18385	120	3	are	be	AUX
bibechana-18385	120	4	to	to	ADP
bibechana-18385	120	5	the	the	DET
bibechana-18385	120	6	brazilian	brazilian	ADJ
bibechana-18385	120	7	national	national	PROPN
bibechana-18385	120	8	council	council	PROPN
bibechana-18385	120	9	for	for	ADP
bibechana-18385	120	10	scientific	scientific	ADJ
bibechana-18385	120	11	and	and	CCONJ
bibechana-18385	120	12	technological	technological	ADJ
bibechana-18385	120	13	development	development	NOUN
bibechana-18385	120	14	(	(	PUNCT
bibechana-18385	120	15	cnpq	cnpq	NOUN
bibechana-18385	120	16	)	)	PUNCT
bibechana-18385	120	17	and	and	CCONJ
bibechana-18385	120	18	twas	twa	VERB
bibechana-18385	120	19	,	,	PUNCT
bibechana-18385	120	20	the	the	DET
bibechana-18385	120	21	academy	academy	NOUN
bibechana-18385	120	22	of	of	ADP
bibechana-18385	120	23	sciences	sciences	PROPN
bibechana-18385	120	24	for	for	ADP
bibechana-18385	120	25	the	the	DET
bibechana-18385	120	26	developing	develop	VERB
bibechana-18385	120	27	world	world	NOUN
bibechana-18385	120	28	(	(	PUNCT
bibechana-18385	120	29	cnpq	cnpq	NOUN
bibechana-18385	120	30	-	-	PUNCT
bibechana-18385	120	31	twas	twa	VERB
bibechana-18385	120	32	/	/	SYM
bibechana-18385	120	33	post	post	ADJ
bibechana-18385	120	34	-	-	ADJ
bibechana-18385	120	35	doc	doc	ADJ
bibechana-18385	120	36	fellowship	fellowship	NOUN
bibechana-18385	120	37	)	)	PUNCT
bibechana-18385	120	38	.	.	PUNCT
bibechana-18385	121	1	bhawani	bhawani	PROPN
bibechana-18385	121	2	d.	d.	PROPN
bibechana-18385	121	3	joshi	joshi	PROPN
bibechana-18385	121	4	,	,	PUNCT
bibechana-18385	121	5	manoj	manoj	PROPN
bibechana-18385	121	6	k.	k.	PROPN
bibechana-18385	121	7	chaudhary/	chaudhary/	NUM
bibechana-18385	121	8	bibechana	bibechana	NOUN
bibechana-18385	121	9	15	15	NUM
bibechana-18385	121	10	(	(	PUNCT
bibechana-18385	121	11	2018	2018	NUM
bibechana-18385	121	12	)	)	PUNCT
bibechana-18385	121	13	131	131	NUM
bibechana-18385	121	14	-	-	SYM
bibechana-18385	121	15	139	139	NUM
bibechana-18385	121	16	:	:	PUNCT
bibechana-18385	121	17	rcost	rcost	NOUN
bibechana-18385	121	18	p.138	p.138	PROPN
bibechana-18385	121	19	references	reference	NOUN
bibechana-18385	121	20	[	[	X
bibechana-18385	121	21	1	1	NUM
bibechana-18385	121	22	]	]	X
bibechana-18385	121	23	y.r	y.r	PROPN
bibechana-18385	121	24	.	.	PROPN
bibechana-18385	121	25	dixit	dixit	PROPN
bibechana-18385	121	26	,	,	PUNCT
bibechana-18385	121	27	n.	n.	PROPN
bibechana-18385	121	28	gautam	gautam	PROPN
bibechana-18385	121	29	and	and	CCONJ
bibechana-18385	121	30	d.c	d.c	PROPN
bibechana-18385	121	31	.	.	PROPN
bibechana-18385	121	32	gautam	gautam	PROPN
bibechana-18385	121	33	,	,	PUNCT
bibechana-18385	121	34	synthesis	synthesis	NOUN
bibechana-18385	121	35	of	of	ADP
bibechana-18385	121	36	bioactive	bioactive	NOUN
bibechana-18385	121	37	fluorinated	fluorinate	VERB
bibechana-18385	121	38	10h	10h	NOUN
bibechana-18385	121	39	-	-	PUNCT
bibechana-18385	121	40	phenothiazines	phenothiazine	NOUN
bibechana-18385	121	41	and	and	CCONJ
bibechana-18385	121	42	their	their	PRON
bibechana-18385	121	43	sulfone	sulfone	NOUN
bibechana-18385	121	44	derivatives	derivative	NOUN
bibechana-18385	121	45	,	,	PUNCT
bibechana-18385	121	46	e	e	PROPN
bibechana-18385	121	47	-	-	PROPN
bibechana-18385	121	48	j.	j.	PROPN
bibechana-18385	121	49	chem	chem	PROPN
bibechana-18385	121	50	.	.	PUNCT
bibechana-18385	122	1	5(s1	5(s1	NUM
bibechana-18385	122	2	)	)	PUNCT
bibechana-18385	122	3	(	(	PUNCT
bibechana-18385	122	4	2008	2008	NUM
bibechana-18385	122	5	)	)	PUNCT
bibechana-18385	122	6	1063	1063	NUM
bibechana-18385	122	7	.	.	PUNCT
bibechana-18385	123	1	http://www.e-journals.net	http://www.e-journals.net	PROPN
bibechana-18385	123	2	,	,	PUNCT
bibechana-18385	123	3	issn	issn	PROPN
bibechana-18385	123	4	:	:	PUNCT
bibechana-18385	123	5	0973	0973	NUM
bibechana-18385	123	6	-	-	SYM
bibechana-18385	123	7	4945	4945	NUM
bibechana-18385	123	8	;	;	PUNCT
bibechana-18385	123	9	coden	coden	PROPN
bibechana-18385	123	10	ecjhao	ecjhao	PROPN
bibechana-18385	123	11	.	.	PUNCT
bibechana-18385	124	1	[	[	X
bibechana-18385	124	2	2	2	NUM
bibechana-18385	124	3	]	]	X
bibechana-18385	124	4	i.k	i.k	PROPN
bibechana-18385	124	5	.	.	PROPN
bibechana-18385	124	6	pajeva	pajeva	PROPN
bibechana-18385	124	7	,	,	PUNCT
bibechana-18385	124	8	m.	m.	NOUN
bibechana-18385	124	9	wiese	wiese	PROPN
bibechana-18385	124	10	,	,	PUNCT
bibechana-18385	124	11	h.p	h.p	PROPN
bibechana-18385	124	12	.	.	PROPN
bibechana-18385	124	13	cordes	corde	NOUN
bibechana-18385	124	14	and	and	CCONJ
bibechana-18385	124	15	j.k	j.k	PROPN
bibechana-18385	124	16	.	.	PROPN
bibechana-18385	124	17	seydel	seydel	PROPN
bibechana-18385	124	18	,	,	PUNCT
bibechana-18385	124	19	membrane	membrane	ADJ
bibechana-18385	124	20	interactions	interaction	NOUN
bibechana-18385	124	21	of	of	ADP
bibechana-18385	124	22	some	some	DET
bibechana-18385	124	23	catamphiphilic	catamphiphilic	ADJ
bibechana-18385	124	24	drugs	drug	NOUN
bibechana-18385	124	25	and	and	CCONJ
bibechana-18385	124	26	relation	relation	NOUN
bibechana-18385	124	27	to	to	ADP
bibechana-18385	124	28	their	their	PRON
bibechana-18385	124	29	multidrug	multidrug	NOUN
bibechana-18385	124	30	-	-	PUNCT
bibechana-18385	124	31	resistance	resistance	NOUN
bibechana-18385	124	32	-	-	PUNCT
bibechana-18385	124	33	reversing	reverse	VERB
bibechana-18385	124	34	ability	ability	NOUN
bibechana-18385	124	35	,	,	PUNCT
bibechana-18385	124	36	j.	j.	PROPN
bibechana-18385	124	37	cancer	cancer	NOUN
bibechana-18385	124	38	res	res	PROPN
bibechana-18385	124	39	.	.	PUNCT
bibechana-18385	125	1	clin	clin	PROPN
bibechana-18385	125	2	.	.	PUNCT
bibechana-18385	126	1	oncol	oncol	ADJ
bibechana-18385	126	2	.	.	PUNCT
bibechana-18385	127	1	122(1	122(1	NUM
bibechana-18385	127	2	)	)	PUNCT
bibechana-18385	127	3	(	(	PUNCT
bibechana-18385	127	4	1996	1996	NUM
bibechana-18385	127	5	)	)	PUNCT
bibechana-18385	128	1	27	27	NUM
bibechana-18385	128	2	.	.	PUNCT
bibechana-18385	129	1	doi.org/10.1007/bf01203070	doi.org/10.1007/bf01203070	PROPN
bibechana-18385	129	2	.	.	PUNCT
bibechana-18385	130	1	[	[	X
bibechana-18385	130	2	3	3	NUM
bibechana-18385	130	3	]	]	X
bibechana-18385	130	4	m.a	m.a	PROPN
bibechana-18385	130	5	.	.	PROPN
bibechana-18385	130	6	wuonola	wuonola	PROPN
bibechana-18385	130	7	,	,	PUNCT
bibechana-18385	130	8	m.g	m.g	PROPN
bibechana-18385	130	9	.	.	PROPN
bibechana-18385	130	10	palfreyman	palfreyman	PROPN
bibechana-18385	130	11	,	,	PUNCT
bibechana-18385	130	12	n.	n.	NOUN
bibechana-18385	130	13	motohashi	motohashi	NOUN
bibechana-18385	130	14	,	,	PUNCT
bibechana-18385	130	15	m.	m.	NOUN
bibechana-18385	130	16	kawase	kawase	PROPN
bibechana-18385	130	17	,	,	PUNCT
bibechana-18385	130	18	s.	s.	PROPN
bibechana-18385	130	19	gabay	gabay	PROPN
bibechana-18385	130	20	,	,	PUNCT
bibechana-18385	130	21	r.r	r.r	PROPN
bibechana-18385	130	22	.	.	PROPN
bibechana-18385	130	23	gupta	gupta	PROPN
bibechana-18385	130	24	and	and	CCONJ
bibechana-18385	130	25	j.	j.	PROPN
bibechana-18385	130	26	molnár	molnár	PROPN
bibechana-18385	130	27	,	,	PUNCT
bibechana-18385	130	28	the	the	DET
bibechana-18385	130	29	primary	primary	NOUN
bibechana-18385	130	30	in	in	ADP
bibechana-18385	130	31	vitro	vitro	X
bibechana-18385	130	32	anticancer	anticancer	NOUN
bibechana-18385	130	33	activity	activity	NOUN
bibechana-18385	130	34	of	of	ADP
bibechana-18385	130	35	"	"	PUNCT
bibechana-18385	130	36	half	half	ADJ
bibechana-18385	130	37	-	-	PUNCT
bibechana-18385	130	38	mustard	mustard	NOUN
bibechana-18385	130	39	type	type	NOUN
bibechana-18385	130	40	"	"	PUNCT
bibechana-18385	130	41	phenothiazines	phenothiazine	NOUN
bibechana-18385	130	42	in	in	ADP
bibechana-18385	130	43	nci	nci	PROPN
bibechana-18385	130	44	's	's	PART
bibechana-18385	130	45	revised	revise	VERB
bibechana-18385	130	46	anticancer	anticancer	NOUN
bibechana-18385	130	47	screening	screening	NOUN
bibechana-18385	130	48	paradigm	paradigm	NOUN
bibechana-18385	130	49	.	.	PUNCT
bibechana-18385	130	50	,	,	PUNCT
bibechana-18385	130	51	anticancer	anticancer	NOUN
bibechana-18385	130	52	res	re	NOUN
bibechana-18385	130	53	.	.	PUNCT
bibechana-18385	130	54	18(1a	18(1a	NUM
bibechana-18385	130	55	)	)	PUNCT
bibechana-18385	130	56	(	(	PUNCT
bibechana-18385	130	57	1998	1998	NUM
bibechana-18385	130	58	)	)	PUNCT
bibechana-18385	130	59	337	337	NUM
bibechana-18385	130	60	.	.	PUNCT
bibechana-18385	131	1	http://europepmc.org/abstract/med/9568100	http://europepmc.org/abstract/med/9568100	PROPN
bibechana-18385	131	2	.	.	PUNCT
bibechana-18385	132	1	[	[	X
bibechana-18385	132	2	4	4	NUM
bibechana-18385	132	3	]	]	X
bibechana-18385	132	4	c.h	c.h	PROPN
bibechana-18385	132	5	.	.	PROPN
bibechana-18385	132	6	chan	chan	PROPN
bibechana-18385	132	7	,	,	PUNCT
bibechana-18385	132	8	yin	yin	PROPN
bibechana-18385	132	9	,	,	PUNCT
bibechana-18385	132	10	j.	j.	PROPN
bibechana-18385	132	11	garforth	garforth	PROPN
bibechana-18385	132	12	,	,	PUNCT
bibechana-18385	132	13	j.h	j.h	PROPN
bibechana-18385	132	14	.	.	PROPN
bibechana-18385	132	15	mckie	mckie	PROPN
bibechana-18385	132	16	,	,	PUNCT
bibechana-18385	132	17	r.	r.	PROPN
bibechana-18385	132	18	jaouhari	jaouhari	PROPN
bibechana-18385	132	19	,	,	PUNCT
bibechana-18385	132	20	p.	p.	NOUN
bibechana-18385	132	21	speers	speer	NOUN
bibechana-18385	132	22	,	,	PUNCT
bibechana-18385	132	23	k.t	k.t	PROPN
bibechana-18385	132	24	.	.	PROPN
bibechana-18385	132	25	douglas	douglas	PROPN
bibechana-18385	132	26	,	,	PUNCT
bibechana-18385	132	27	p.j	p.j	PROPN
bibechana-18385	132	28	.	.	PROPN
bibechana-18385	132	29	rock	rock	PROPN
bibechana-18385	132	30	,	,	PUNCT
bibechana-18385	132	31	v.	v.	PROPN
bibechana-18385	132	32	yardley	yardley	PROPN
bibechana-18385	132	33	,	,	PUNCT
bibechana-18385	132	34	s.l	s.l	PROPN
bibechana-18385	132	35	.	.	PROPN
bibechana-18385	132	36	croft	croft	PROPN
bibechana-18385	132	37	and	and	CCONJ
bibechana-18385	132	38	a.h	a.h	PROPN
bibechana-18385	132	39	.	.	PROPN
bibechana-18385	132	40	fairlamb	fairlamb	PROPN
bibechana-18385	132	41	,	,	PUNCT
bibechana-18385	132	42	phenothiazine	phenothiazine	NOUN
bibechana-18385	132	43	inhibitors	inhibitor	NOUN
bibechana-18385	132	44	of	of	ADP
bibechana-18385	132	45	trypanothione	trypanothione	NOUN
bibechana-18385	132	46	reductase	reductase	NOUN
bibechana-18385	132	47	as	as	ADP
bibechana-18385	132	48	potential	potential	ADJ
bibechana-18385	132	49	antitrypanosomal	antitrypanosomal	ADJ
bibechana-18385	132	50	and	and	CCONJ
bibechana-18385	132	51	antileishmanial	antileishmanial	ADJ
bibechana-18385	132	52	drugs	drug	NOUN
bibechana-18385	132	53	,	,	PUNCT
bibechana-18385	132	54	j.	j.	PROPN
bibechana-18385	132	55	med	med	PROPN
bibechana-18385	132	56	.	.	PROPN
bibechana-18385	132	57	chem	chem	PROPN
bibechana-18385	132	58	.	.	PUNCT
bibechana-18385	133	1	41(2	41(2	NUM
bibechana-18385	133	2	)	)	PUNCT
bibechana-18385	133	3	(	(	PUNCT
bibechana-18385	133	4	1998	1998	NUM
bibechana-18385	133	5	)	)	PUNCT
bibechana-18385	133	6	148	148	NUM
bibechana-18385	133	7	.	.	PUNCT
bibechana-18385	134	1	doi	doi	NOUN
bibechana-18385	134	2	:	:	PUNCT
bibechana-18385	134	3	10.1021	10.1021	NUM
bibechana-18385	134	4	/	/	SYM
bibechana-18385	134	5	jm960814j	jm960814j	NOUN
bibechana-18385	134	6	.	.	PUNCT
bibechana-18385	135	1	[	[	X
bibechana-18385	135	2	5	5	X
bibechana-18385	135	3	]	]	X
bibechana-18385	135	4	j.a	j.a	PROPN
bibechana-18385	135	5	.	.	PROPN
bibechana-18385	135	6	molnár	molnár	PROPN
bibechana-18385	135	7	,	,	PUNCT
bibechana-18385	135	8	hevér	hevér	PROPN
bibechana-18385	135	9	,	,	PUNCT
bibechana-18385	135	10	i.	i.	NOUN
bibechana-18385	135	11	fakla	fakla	PROPN
bibechana-18385	135	12	,	,	PUNCT
bibechana-18385	135	13	j.	j.	PROPN
bibechana-18385	135	14	fischer	fischer	PROPN
bibechana-18385	135	15	,	,	PUNCT
bibechana-18385	135	16	i.	i.	PROPN
bibechana-18385	135	17	ocsovaki	ocsovaki	PROPN
bibechana-18385	135	18	and	and	CCONJ
bibechana-18385	135	19	a.	a.	NOUN
bibechana-18385	135	20	aszalǿs	aszalǿs	PROPN
bibechana-18385	135	21	,	,	PUNCT
bibechana-18385	135	22	inhibition	inhibition	NOUN
bibechana-18385	135	23	of	of	ADP
bibechana-18385	135	24	the	the	DET
bibechana-18385	135	25	transport	transport	NOUN
bibechana-18385	135	26	function	function	NOUN
bibechana-18385	135	27	of	of	ADP
bibechana-18385	135	28	membrane	membrane	NOUN
bibechana-18385	135	29	proteins	protein	NOUN
bibechana-18385	135	30	by	by	ADP
bibechana-18385	135	31	some	some	DET
bibechana-18385	135	32	substituted	substitute	VERB
bibechana-18385	135	33	phenothiazines	phenothiazine	NOUN
bibechana-18385	135	34	in	in	ADP
bibechana-18385	135	35	e.	e.	PROPN
bibechana-18385	135	36	coli	coli	PROPN
bibechana-18385	135	37	and	and	CCONJ
bibechana-18385	135	38	multidrug	multidrug	VERB
bibechana-18385	135	39	resistant	resistant	ADJ
bibechana-18385	135	40	tumor	tumor	NOUN
bibechana-18385	135	41	cells	cell	NOUN
bibechana-18385	135	42	,	,	PUNCT
bibechana-18385	135	43	anticancer	anticancer	NOUN
bibechana-18385	135	44	res	re	NOUN
bibechana-18385	135	45	.	.	PUNCT
bibechana-18385	136	1	17(1a	17(1a	NUM
bibechana-18385	136	2	)	)	PUNCT
bibechana-18385	136	3	(	(	PUNCT
bibechana-18385	136	4	1997	1997	NUM
bibechana-18385	136	5	)	)	PUNCT
bibechana-18385	137	1	481	481	NUM
bibechana-18385	137	2	.	.	PUNCT
bibechana-18385	138	1	https://www.ncbi.nlm.nih.gov/pubmed/9066699	https://www.ncbi.nlm.nih.gov/pubmed/9066699	NUM
bibechana-18385	138	2	.	.	PUNCT
bibechana-18385	139	1	[	[	X
bibechana-18385	139	2	6	6	NUM
bibechana-18385	139	3	]	]	X
bibechana-18385	139	4	m.a	m.a	PROPN
bibechana-18385	139	5	.	.	PROPN
bibechana-18385	139	6	palafox	palafox	PROPN
bibechana-18385	139	7	,	,	PUNCT
bibechana-18385	139	8	m.	m.	PROPN
bibechana-18385	139	9	gil	gil	PROPN
bibechana-18385	139	10	,	,	PUNCT
bibechana-18385	139	11	j.l	j.l	PROPN
bibechana-18385	139	12	.	.	PROPN
bibechana-18385	139	13	nűǹez	nűǹez	PROPN
bibechana-18385	139	14	and	and	CCONJ
bibechana-18385	139	15	g.	g.	PROPN
bibechana-18385	139	16	tardajos	tardajos	PROPN
bibechana-18385	139	17	,	,	PUNCT
bibechana-18385	139	18	study	study	NOUN
bibechana-18385	139	19	of	of	ADP
bibechana-18385	139	20	phenothiazine	phenothiazine	NOUN
bibechana-18385	139	21	and	and	CCONJ
bibechana-18385	139	22	n‐methyl	n‐methyl	PUNCT
bibechana-18385	139	23	phenothiazine	phenothiazine	PROPN
bibechana-18385	139	24	by	by	ADP
bibechana-18385	139	25	infrared	infrared	PROPN
bibechana-18385	139	26	,	,	PUNCT
bibechana-18385	139	27	raman	raman	NOUN
bibechana-18385	139	28	,	,	PUNCT
bibechana-18385	139	29	1h‐	1h‐	NUM
bibechana-18385	139	30	,	,	PUNCT
bibechana-18385	139	31	and	and	CCONJ
bibechana-18385	139	32	13c‐nmr	13c‐nmr	NUM
bibechana-18385	139	33	spectroscopies	spectroscopy	NOUN
bibechana-18385	139	34	int	int	NOUN
bibechana-18385	139	35	.	.	PUNCT
bibechana-18385	140	1	j.	j.	PROPN
bibechana-18385	140	2	quant	quant	PROPN
bibechana-18385	140	3	.	.	PUNCT
bibechana-18385	141	1	chem	chem	PROPN
bibechana-18385	141	2	.	.	PUNCT
bibechana-18385	142	1	89(3	89(3	NUM
bibechana-18385	142	2	)	)	PUNCT
bibechana-18385	142	3	(	(	PUNCT
bibechana-18385	142	4	2002	2002	NUM
bibechana-18385	142	5	)	)	PUNCT
bibechana-18385	142	6	147	147	NUM
bibechana-18385	142	7	.	.	PUNCT
bibechana-18385	143	1	doi/10.1002	doi/10.1002	ADJ
bibechana-18385	143	2	/	/	SYM
bibechana-18385	143	3	qua.10314	qua.10314	NOUN
bibechana-18385	143	4	.	.	PUNCT
bibechana-18385	144	1	[	[	X
bibechana-18385	144	2	7	7	NUM
bibechana-18385	144	3	]	]	X
bibechana-18385	144	4	r.	r.	PROPN
bibechana-18385	144	5	sharma	sharma	PROPN
bibechana-18385	144	6	,	,	PUNCT
bibechana-18385	144	7	p.	p.	PROPN
bibechana-18385	144	8	samadhiya	samadhiya	PROPN
bibechana-18385	144	9	,	,	PUNCT
bibechana-18385	144	10	s.d	s.d	PROPN
bibechana-18385	144	11	.	.	PROPN
bibechana-18385	144	12	srivastava	srivastava	PROPN
bibechana-18385	144	13	and	and	CCONJ
bibechana-18385	144	14	s.k	s.k	PROPN
bibechana-18385	144	15	.	.	PROPN
bibechana-18385	144	16	srivastava	srivastava	PROPN
bibechana-18385	144	17	,	,	PUNCT
bibechana-18385	144	18	synthesis	synthesis	NOUN
bibechana-18385	144	19	and	and	CCONJ
bibechana-18385	144	20	biological	biological	ADJ
bibechana-18385	144	21	activity	activity	NOUN
bibechana-18385	144	22	of	of	ADP
bibechana-18385	144	23	4	4	NUM
bibechana-18385	144	24	-	-	PUNCT
bibechana-18385	144	25	thiazolidinone	thiazolidinone	NOUN
bibechana-18385	144	26	derivatives	derivative	NOUN
bibechana-18385	144	27	of	of	ADP
bibechana-18385	144	28	phenothiazine	phenothiazine	NOUN
bibechana-18385	144	29	,	,	PUNCT
bibechana-18385	144	30	j.	j.	PROPN
bibechana-18385	144	31	serb	serb	PROPN
bibechana-18385	144	32	.	.	PUNCT
bibechana-18385	145	1	chem	chem	PROPN
bibechana-18385	145	2	.	.	PUNCT
bibechana-18385	146	1	soc	soc	PROPN
bibechana-18385	146	2	.	.	PUNCT
bibechana-18385	147	1	77(1	77(1	NUM
bibechana-18385	147	2	)	)	PUNCT
bibechana-18385	147	3	(	(	PUNCT
bibechana-18385	147	4	2012	2012	NUM
bibechana-18385	147	5	)	)	PUNCT
bibechana-18385	147	6	17	17	NUM
bibechana-18385	147	7	.	.	PUNCT
bibechana-18385	148	1	doi	doi	NOUN
bibechana-18385	148	2	:	:	PUNCT
bibechana-18385	148	3	10.2298	10.2298	NUM
bibechana-18385	148	4	/	/	SYM
bibechana-18385	148	5	jsc100924152s	jsc100924152s	PROPN
bibechana-18385	148	6	.	.	PUNCT
bibechana-18385	149	1	[	[	X
bibechana-18385	149	2	8	8	NUM
bibechana-18385	149	3	]	]	X
bibechana-18385	149	4	b.d	b.d	PROPN
bibechana-18385	149	5	.	.	PROPN
bibechana-18385	149	6	joshi	joshi	PROPN
bibechana-18385	149	7	,	,	PUNCT
bibechana-18385	149	8	p.	p.	PROPN
bibechana-18385	149	9	tandon	tandon	PROPN
bibechana-18385	149	10	and	and	CCONJ
bibechana-18385	149	11	s.	s.	PROPN
bibechana-18385	149	12	jain	jain	PROPN
bibechana-18385	149	13	,	,	PUNCT
bibechana-18385	149	14	nbo	nbo	PROPN
bibechana-18385	149	15	,	,	PUNCT
bibechana-18385	149	16	chemical	chemical	NOUN
bibechana-18385	149	17	reactivity	reactivity	NOUN
bibechana-18385	149	18	,	,	PUNCT
bibechana-18385	149	19	thermodynamic	thermodynamic	ADJ
bibechana-18385	149	20	properties	property	NOUN
bibechana-18385	149	21	and	and	CCONJ
bibechana-18385	149	22	hyperpolarizability	hyperpolarizability	NOUN
bibechana-18385	149	23	analysis	analysis	NOUN
bibechana-18385	149	24	of	of	ADP
bibechana-18385	149	25	aristolochic	aristolochic	ADJ
bibechana-18385	149	26	acid	acid	PROPN
bibechana-18385	149	27	ii	ii	PROPN
bibechana-18385	149	28	,	,	PUNCT
bibechana-18385	149	29	bibechana	bibechana	PROPN
bibechana-18385	149	30	9	9	NUM
bibechana-18385	149	31	(	(	PUNCT
bibechana-18385	149	32	2013	2013	NUM
bibechana-18385	149	33	)	)	PUNCT
bibechana-18385	149	34	38	38	NUM
bibechana-18385	149	35	.	.	PUNCT
bibechana-18385	150	1	doi.org/10.3126/bibechana.v14i0.15892	doi.org/10.3126/bibechana.v14i0.15892	NOUN
bibechana-18385	150	2	.	.	PUNCT
bibechana-18385	151	1	[	[	X
bibechana-18385	151	2	9	9	X
bibechana-18385	151	3	]	]	PUNCT
bibechana-18385	151	4	p.	p.	NOUN
bibechana-18385	151	5	hohenberg	hohenberg	PROPN
bibechana-18385	151	6	and	and	CCONJ
bibechana-18385	151	7	w.	w.	PROPN
bibechana-18385	151	8	kohn	kohn	PROPN
bibechana-18385	151	9	,	,	PUNCT
bibechana-18385	151	10	inhomogeneous	inhomogeneous	ADJ
bibechana-18385	151	11	electron	electron	NOUN
bibechana-18385	151	12	gas	gas	NOUN
bibechana-18385	151	13	,	,	PUNCT
bibechana-18385	151	14	phys	phy	NOUN
bibechana-18385	151	15	.	.	PUNCT
bibechana-18385	152	1	rev	rev	PROPN
bibechana-18385	152	2	.	.	PROPN
bibechana-18385	153	1	b	b	PROPN
bibechana-18385	153	2	136	136	NUM
bibechana-18385	153	3	(	(	PUNCT
bibechana-18385	153	4	1964	1964	NUM
bibechana-18385	153	5	)	)	PUNCT
bibechana-18385	153	6	864	864	NUM
bibechana-18385	153	7	.	.	PUNCT
bibechana-18385	154	1	dx.doi.org/10.1103/physrev.136.b864	dx.doi.org/10.1103/physrev.136.b864	PROPN
bibechana-18385	154	2	.	.	PUNCT
bibechana-18385	155	1	[	[	X
bibechana-18385	155	2	10	10	NUM
bibechana-18385	155	3	]	]	X
bibechana-18385	155	4	a.d	a.d	PROPN
bibechana-18385	155	5	.	.	PROPN
bibechana-18385	155	6	becke	becke	PROPN
bibechana-18385	155	7	,	,	PUNCT
bibechana-18385	155	8	density‐functional	density‐functional	ADJ
bibechana-18385	155	9	thermochemistry	thermochemistry	NOUN
bibechana-18385	155	10	.	.	PUNCT
bibechana-18385	156	1	iii	iii	X
bibechana-18385	156	2	.	.	PUNCT
bibechana-18385	157	1	the	the	DET
bibechana-18385	157	2	role	role	NOUN
bibechana-18385	157	3	of	of	ADP
bibechana-18385	157	4	exact	exact	ADJ
bibechana-18385	157	5	exchange	exchange	NOUN
bibechana-18385	157	6	,	,	PUNCT
bibechana-18385	157	7	j.	j.	PROPN
bibechana-18385	157	8	chem	chem	PROPN
bibechana-18385	157	9	.	.	PUNCT
bibechana-18385	158	1	phys	phy	NOUN
bibechana-18385	158	2	.	.	PUNCT
bibechana-18385	159	1	98	98	NUM
bibechana-18385	159	2	(	(	PUNCT
bibechana-18385	159	3	1993	1993	NUM
bibechana-18385	159	4	)	)	PUNCT
bibechana-18385	159	5	5648	5648	NUM
bibechana-18385	159	6	.	.	PUNCT
bibechana-18385	160	1	http://dx.doi.org/10.1063/1.464913	http://dx.doi.org/10.1063/1.464913	PROPN
bibechana-18385	160	2	.	.	PUNCT
bibechana-18385	161	1	[	[	X
bibechana-18385	161	2	11	11	NUM
bibechana-18385	161	3	]	]	PUNCT
bibechana-18385	161	4	m.	m.	NOUN
bibechana-18385	161	5	frisch	frisch	PROPN
bibechana-18385	161	6	,	,	PUNCT
bibechana-18385	161	7	g.w	g.w	PROPN
bibechana-18385	161	8	.	.	PROPN
bibechana-18385	161	9	trucks	trucks	PROPN
bibechana-18385	161	10	,	,	PUNCT
bibechana-18385	161	11	h.b	h.b	PROPN
bibechana-18385	161	12	.	.	PROPN
bibechana-18385	161	13	schlegel	schlegel	PROPN
bibechana-18385	161	14	.	.	PUNCT
bibechana-18385	161	15	g.e	g.e	PROPN
bibechana-18385	161	16	.	.	PROPN
bibechana-18385	161	17	scuseria	scuseria	PROPN
bibechana-18385	161	18	,	,	PUNCT
bibechana-18385	161	19	j.r	j.r	PROPN
bibechana-18385	161	20	.	.	PROPN
bibechana-18385	161	21	cheeseman	cheeseman	PROPN
bibechana-18385	161	22	,	,	PUNCT
bibechana-18385	161	23	m.a	m.a	PROPN
bibechana-18385	161	24	.	.	PROPN
bibechana-18385	161	25	robb	robb	PROPN
bibechana-18385	161	26	,	,	PUNCT
bibechana-18385	161	27	g.	g.	PROPN
bibechana-18385	161	28	scalmani	scalmani	PROPN
bibechana-18385	161	29	,	,	PUNCT
bibechana-18385	161	30	v.barone	v.barone	NOUN
bibechana-18385	161	31	,	,	PUNCT
bibechana-18385	161	32	b.	b.	PROPN
bibechana-18385	161	33	mennucci	mennucci	PROPN
bibechana-18385	161	34	,	,	PUNCT
bibechana-18385	161	35	g.a	g.a	PROPN
bibechana-18385	161	36	.	.	PROPN
bibechana-18385	161	37	petersson	petersson	PROPN
bibechana-18385	161	38	,	,	PUNCT
bibechana-18385	161	39	h.	h.	PROPN
bibechana-18385	161	40	nakatsuji	nakatsuji	PROPN
bibechana-18385	161	41	,	,	PUNCT
bibechana-18385	161	42	m.	m.	NOUN
bibechana-18385	161	43	caricato	caricato	PROPN
bibechana-18385	161	44	,	,	PUNCT
bibechana-18385	161	45	x.	x.	PROPN
bibechana-18385	161	46	li	li	PROPN
bibechana-18385	161	47	,	,	PUNCT
bibechana-18385	161	48	h.p	h.p	PROPN
bibechana-18385	161	49	.	.	PROPN
bibechana-18385	161	50	hratchian	hratchian	PROPN
bibechana-18385	161	51	,	,	PUNCT
bibechana-18385	161	52	a.f	a.f	PROPN
bibechana-18385	161	53	.	.	PROPN
bibechana-18385	161	54	izmzylov	izmzylov	PROPN
bibechana-18385	161	55	,	,	PUNCT
bibechana-18385	161	56	j.bloino	j.bloino	PROPN
bibechana-18385	161	57	,	,	PUNCT
bibechana-18385	161	58	g.	g.	PROPN
bibechana-18385	161	59	zheng	zheng	PROPN
bibechana-18385	161	60	,	,	PUNCT
bibechana-18385	161	61	j.l	j.l	PROPN
bibechana-18385	161	62	.	.	PROPN
bibechana-18385	161	63	sonnenberg	sonnenberg	PROPN
bibechana-18385	161	64	,	,	PUNCT
bibechana-18385	161	65	m.	m.	PROPN
bibechana-18385	161	66	hada	hada	PROPN
bibechana-18385	161	67	,	,	PUNCT
bibechana-18385	161	68	m.	m.	NOUN
bibechana-18385	161	69	ehara	ehara	PROPN
bibechana-18385	161	70	,	,	PUNCT
bibechana-18385	161	71	k.	k.	PROPN
bibechana-18385	161	72	toyota	toyota	PROPN
bibechana-18385	161	73	,	,	PUNCT
bibechana-18385	161	74	r.	r.	PROPN
bibechana-18385	161	75	fukuda	fukuda	PROPN
bibechana-18385	161	76	,	,	PUNCT
bibechana-18385	161	77	j.	j.	PROPN
bibechana-18385	161	78	ishida	ishida	PROPN
bibechana-18385	161	79	,	,	PUNCT
bibechana-18385	161	80	m.	m.	PROPN
bibechana-18385	161	81	hasegawa	hasegawa	PROPN
bibechana-18385	161	82	,	,	PUNCT
bibechana-18385	161	83	t.nakajima	t.nakajima	NOUN
bibechana-18385	161	84	,	,	PUNCT
bibechana-18385	161	85	y.	y.	NOUN
bibechana-18385	161	86	honda	honda	PROPN
bibechana-18385	161	87	,	,	PUNCT
bibechana-18385	161	88	o.	o.	PROPN
bibechana-18385	161	89	kitao	kitao	PROPN
bibechana-18385	161	90	,	,	PUNCT
bibechana-18385	161	91	h.	h.	PROPN
bibechana-18385	161	92	nakai	nakai	PROPN
bibechana-18385	161	93	,	,	PUNCT
bibechana-18385	161	94	t.	t.	PROPN
bibechana-18385	161	95	vreven	vreven	PROPN
bibechana-18385	161	96	,	,	PUNCT
bibechana-18385	161	97	j.a	j.a	PROPN
bibechana-18385	161	98	.	.	PROPN
bibechana-18385	161	99	montgomery	montgomery	PROPN
bibechana-18385	161	100	,	,	PUNCT
bibechana-18385	161	101	jr	jr	PROPN
bibechana-18385	161	102	.	.	PROPN
bibechana-18385	161	103	,	,	PUNCT
bibechana-18385	161	104	j.e	j.e	PROPN
bibechana-18385	161	105	.	.	PROPN
bibechana-18385	161	106	peralta	peralta	PROPN
bibechana-18385	161	107	,	,	PUNCT
bibechana-18385	161	108	f.	f.	PROPN
bibechana-18385	161	109	ogliaro	ogliaro	NOUN
bibechana-18385	161	110	,	,	PUNCT
bibechana-18385	161	111	m.bearpark	m.bearpark	NOUN
bibechana-18385	161	112	,	,	PUNCT
bibechana-18385	161	113	j.j	j.j	PROPN
bibechana-18385	161	114	.	.	PROPN
bibechana-18385	161	115	heyd	heyd	PROPN
bibechana-18385	161	116	,	,	PUNCT
bibechana-18385	161	117	e.	e.	PROPN
bibechana-18385	161	118	brothers	brothers	PROPN
bibechana-18385	161	119	,	,	PUNCT
bibechana-18385	161	120	k.n	k.n	PROPN
bibechana-18385	161	121	.	.	PROPN
bibechana-18385	161	122	kudin	kudin	PROPN
bibechana-18385	161	123	,	,	PUNCT
bibechana-18385	161	124	v.n	v.n	PROPN
bibechana-18385	161	125	.	.	PROPN
bibechana-18385	161	126	staroverov	staroverov	PROPN
bibechana-18385	161	127	,	,	PUNCT
bibechana-18385	161	128	r.	r.	PROPN
bibechana-18385	161	129	kobayashi	kobayashi	PROPN
bibechana-18385	161	130	,	,	PUNCT
bibechana-18385	161	131	j.	j.	PROPN
bibechana-18385	161	132	normand	normand	PROPN
bibechana-18385	161	133	,	,	PUNCT
bibechana-18385	161	134	a.raghavachari	a.raghavachari	PRON
bibechana-18385	161	135	,	,	PUNCT
bibechana-18385	161	136	a.	a.	NOUN
bibechana-18385	161	137	rendell	rendell	PROPN
bibechana-18385	161	138	,	,	PUNCT
bibechana-18385	161	139	j.c	j.c	PROPN
bibechana-18385	161	140	.	.	PROPN
bibechana-18385	161	141	burant	burant	PROPN
bibechana-18385	161	142	,	,	PUNCT
bibechana-18385	161	143	s.s	s.s	PROPN
bibechana-18385	161	144	.	.	PROPN
bibechana-18385	161	145	iyengar	iyengar	PROPN
bibechana-18385	161	146	,	,	PUNCT
bibechana-18385	161	147	j.	j.	PROPN
bibechana-18385	161	148	tomasi	tomasi	PROPN
bibechana-18385	161	149	,	,	PUNCT
bibechana-18385	161	150	m.	m.	NOUN
bibechana-18385	161	151	cossi	cossi	PROPN
bibechana-18385	161	152	,	,	PUNCT
bibechana-18385	161	153	n.	n.	PROPN
bibechana-18385	161	154	rega	rega	PROPN
bibechana-18385	161	155	,	,	PUNCT
bibechana-18385	161	156	j.m	j.m	PROPN
bibechana-18385	161	157	.	.	PROPN
bibechana-18385	161	158	m	m	PROPN
bibechana-18385	161	159	illan	illan	NOUN
bibechana-18385	161	160	,	,	PUNCT
bibechana-18385	161	161	m.	m.	NOUN
bibechana-18385	161	162	klene	klene	PROPN
bibechana-18385	161	163	,	,	PUNCT
bibechana-18385	161	164	j.e	j.e	PROPN
bibechana-18385	161	165	.	.	PROPN
bibechana-18385	161	166	knox	knox	PROPN
bibechana-18385	161	167	,	,	PUNCT
bibechana-18385	161	168	j.b	j.b	PROPN
bibechana-18385	161	169	.	.	PROPN
bibechana-18385	161	170	cross	cross	PROPN
bibechana-18385	161	171	,	,	PUNCT
bibechana-18385	161	172	v.	v.	PROPN
bibechana-18385	161	173	bakken	bakken	PROPN
bibechana-18385	161	174	,	,	PUNCT
bibechana-18385	161	175	c.	c.	PROPN
bibechana-18385	161	176	adamo	adamo	PROPN
bibechana-18385	161	177	,	,	PUNCT
bibechana-18385	161	178	j.	j.	PROPN
bibechana-18385	161	179	jaramillo	jaramillo	PROPN
bibechana-18385	161	180	,	,	PUNCT
bibechana-18385	161	181	r.	r.	PROPN
bibechana-18385	161	182	gomperts	gomperts	PROPN
bibechana-18385	161	183	,	,	PUNCT
bibechana-18385	161	184	r.e	r.e	PROPN
bibechana-18385	161	185	.	.	PROPN
bibechana-18385	161	186	stratmann	stratmann	PROPN
bibechana-18385	161	187	,	,	PUNCT
bibechana-18385	161	188	o.	o.	PROPN
bibechana-18385	161	189	yazyev	yazyev	PROPN
bibechana-18385	161	190	,	,	PUNCT
bibechana-18385	161	191	a.j.austin	a.j.austin	PROPN
bibechana-18385	161	192	,	,	PUNCT
bibechana-18385	161	193	r.	r.	PROPN
bibechana-18385	161	194	cammi	cammi	PROPN
bibechana-18385	161	195	,	,	PUNCT
bibechana-18385	161	196	c.	c.	PROPN
bibechana-18385	161	197	pomelli	pomelli	PROPN
bibechana-18385	161	198	,	,	PUNCT
bibechana-18385	161	199	j.w	j.w	PROPN
bibechana-18385	161	200	.	.	PROPN
bibechana-18385	161	201	ochterski	ochterski	PROPN
bibechana-18385	161	202	,	,	PUNCT
bibechana-18385	161	203	r.l	r.l	PROPN
bibechana-18385	161	204	.	.	PROPN
bibechana-18385	161	205	martin	martin	PROPN
bibechana-18385	161	206	,	,	PUNCT
bibechana-18385	161	207	k.	k.	PROPN
bibechana-18385	161	208	morokuma	morokuma	PROPN
bibechana-18385	161	209	,	,	PUNCT
bibechana-18385	161	210	v.g	v.g	PROPN
bibechana-18385	161	211	.	.	PROPN
bibechana-18385	161	212	zakrzewski	zakrzewski	PROPN
bibechana-18385	161	213	,	,	PUNCT
bibechana-18385	161	214	g.a	g.a	PROPN
bibechana-18385	161	215	.	.	PROPN
bibechana-18385	161	216	voth	voth	PROPN
bibechana-18385	161	217	,	,	PUNCT
bibechana-18385	161	218	p.	p.	PROPN
bibechana-18385	161	219	salvador	salvador	PROPN
bibechana-18385	161	220	,	,	PUNCT
bibechana-18385	161	221	j.j	j.j	PROPN
bibechana-18385	161	222	.	.	PROPN
bibechana-18385	161	223	dannerberg	dannerberg	PROPN
bibechana-18385	161	224	,	,	PUNCT
bibechana-18385	161	225	s.	s.	PROPN
bibechana-18385	161	226	dapprich	dapprich	PROPN
bibechana-18385	161	227	,	,	PUNCT
bibechana-18385	161	228	a.d	a.d	PROPN
bibechana-18385	161	229	.	.	PROPN
bibechana-18385	161	230	daniels	daniels	PROPN
bibechana-18385	161	231	,	,	PUNCT
bibechana-18385	161	232	j.	j.	PROPN
bibechana-18385	161	233	farkas	farkas	PROPN
bibechana-18385	161	234	,	,	PUNCT
bibechana-18385	161	235	b.	b.	PROPN
bibechana-18385	161	236	foresman	foresman	PROPN
bibechana-18385	161	237	,	,	PUNCT
bibechana-18385	161	238	j.v	j.v	PROPN
bibechana-18385	161	239	.	.	PROPN
bibechana-18385	161	240	ortiz	ortiz	PROPN
bibechana-18385	161	241	,	,	PUNCT
bibechana-18385	161	242	j.	j.	PROPN
bibechana-18385	161	243	cioslowski	cioslowski	PROPN
bibechana-18385	161	244	and	and	CCONJ
bibechana-18385	161	245	d.j	d.j	PROPN
bibechana-18385	161	246	.	.	PROPN
bibechana-18385	161	247	fox	fox	PROPN
bibechana-18385	161	248	,	,	PUNCT
bibechana-18385	161	249	(	(	PUNCT
bibechana-18385	161	250	2009	2009	NUM
bibechana-18385	161	251	)	)	PUNCT
bibechana-18385	161	252	gaussian	gaussian	NOUN
bibechana-18385	161	253	09	09	NUM
bibechana-18385	161	254	,	,	PUNCT
bibechana-18385	161	255	revision	revision	NOUN
bibechana-18385	161	256	,	,	PUNCT
bibechana-18385	161	257	gaussian	gaussian	PROPN
bibechana-18385	161	258	,	,	PUNCT
bibechana-18385	161	259	inc	inc	PROPN
bibechana-18385	161	260	.	.	PROPN
bibechana-18385	161	261	,	,	PUNCT
bibechana-18385	161	262	wallingford	wallingford	PROPN
bibechana-18385	161	263	ct	ct	INTJ
bibechana-18385	161	264	.	.	PUNCT
bibechana-18385	162	1	[	[	X
bibechana-18385	162	2	12	12	NUM
bibechana-18385	162	3	]	]	X
bibechana-18385	162	4	https://pubchem.ncbi.nlm.nih.gov	https://pubchem.ncbi.nlm.nih.gov	NOUN
bibechana-18385	162	5	structure	structure	NOUN
bibechana-18385	162	6	search	search	NOUN
bibechana-18385	162	7	data	datum	NOUN
bibechana-18385	162	8	base	base	NOUN
bibechana-18385	162	9	.	.	PUNCT
bibechana-18385	163	1	[	[	X
bibechana-18385	163	2	13	13	NUM
bibechana-18385	163	3	]	]	PUNCT
bibechana-18385	163	4	a.	a.	NOUN
bibechana-18385	163	5	frisch	frisch	PROPN
bibechana-18385	163	6	,	,	PUNCT
bibechana-18385	163	7	a.b	a.b	PROPN
bibechana-18385	163	8	.	.	PROPN
bibechana-18385	163	9	nielson	nielson	PROPN
bibechana-18385	163	10	and	and	CCONJ
bibechana-18385	163	11	a.j	a.j	PROPN
bibechana-18385	163	12	.	.	PROPN
bibechana-18385	163	13	holder	holder	PROPN
bibechana-18385	163	14	,	,	PUNCT
bibechana-18385	163	15	gauss	gauss	ADJ
bibechana-18385	163	16	view	view	NOUN
bibechana-18385	163	17	user	user	NOUN
bibechana-18385	163	18	manual	manual	NOUN
bibechana-18385	163	19	,	,	PUNCT
bibechana-18385	163	20	gaussian	gaussian	PROPN
bibechana-18385	163	21	inc	inc	PROPN
bibechana-18385	163	22	,	,	PUNCT
bibechana-18385	163	23	pittsburgh	pittsburgh	PROPN
bibechana-18385	163	24	,	,	PUNCT
bibechana-18385	163	25	p.a	p.a	PROPN
bibechana-18385	163	26	.	.	PROPN
bibechana-18385	163	27	,	,	PUNCT
bibechana-18385	163	28	2000	2000	NUM
bibechana-18385	163	29	.	.	PUNCT
bibechana-18385	164	1	[	[	X
bibechana-18385	164	2	14	14	NUM
bibechana-18385	164	3	]	]	X
bibechana-18385	164	4	r.	r.	PROPN
bibechana-18385	164	5	mishra	mishra	PROPN
bibechana-18385	164	6	,	,	PUNCT
bibechana-18385	164	7	a.	a.	PROPN
bibechana-18385	164	8	srivastava	srivastava	PROPN
bibechana-18385	164	9	,	,	PUNCT
bibechana-18385	164	10	p.	p.	PROPN
bibechana-18385	164	11	tandon	tandon	PROPN
bibechana-18385	164	12	and	and	CCONJ
bibechana-18385	164	13	s.	s.	PROPN
bibechana-18385	164	14	jain	jain	PROPN
bibechana-18385	164	15	,	,	PUNCT
bibechana-18385	164	16	spectroscopic	spectroscopic	ADJ
bibechana-18385	164	17	and	and	CCONJ
bibechana-18385	164	18	quantum	quantum	ADJ
bibechana-18385	164	19	chemical	chemical	NOUN
bibechana-18385	164	20	analysis	analysis	NOUN
bibechana-18385	164	21	of	of	ADP
bibechana-18385	164	22	a	a	DET
bibechana-18385	164	23	natural	natural	ADJ
bibechana-18385	164	24	product	product	NOUN
bibechana-18385	164	25	–	–	PUNCT
bibechana-18385	164	26	hayatin	hayatin	ADJ
bibechana-18385	164	27	hydrochloride	hydrochloride	NOUN
bibechana-18385	164	28	j.	j.	PROPN
bibechana-18385	164	29	mol	mol	PROPN
bibechana-18385	164	30	.	.	PROPN
bibechana-18385	164	31	struct	struct	NOUN
bibechana-18385	164	32	.	.	PUNCT
bibechana-18385	165	1	1093	1093	NUM
bibechana-18385	165	2	(	(	PUNCT
bibechana-18385	165	3	2015	2015	NUM
bibechana-18385	165	4	)	)	PUNCT
bibechana-18385	165	5	101	101	NUM
bibechana-18385	165	6	.	.	PUNCT
bibechana-18385	166	1	doi.org/10.1016/j.molstruc.2015.03.032	doi.org/10.1016/j.molstruc.2015.03.032	PROPN
bibechana-18385	166	2	.	.	PUNCT
bibechana-18385	167	1	[	[	X
bibechana-18385	167	2	15	15	NUM
bibechana-18385	167	3	]	]	X
bibechana-18385	167	4	m.w	m.w	PROPN
bibechana-18385	167	5	.	.	PROPN
bibechana-18385	167	6	wong	wong	PROPN
bibechana-18385	167	7	,	,	PUNCT
bibechana-18385	167	8	vibrational	vibrational	ADJ
bibechana-18385	167	9	frequency	frequency	NOUN
bibechana-18385	167	10	prediction	prediction	NOUN
bibechana-18385	167	11	using	use	VERB
bibechana-18385	167	12	density	density	NOUN
bibechana-18385	167	13	functional	functional	ADJ
bibechana-18385	167	14	theory	theory	NOUN
bibechana-18385	167	15	,	,	PUNCT
bibechana-18385	167	16	chem	chem	NOUN
bibechana-18385	167	17	.	.	PUNCT
bibechana-18385	168	1	phys	phy	NOUN
bibechana-18385	168	2	.	.	PUNCT
bibechana-18385	169	1	lett	lett	PROPN
bibechana-18385	169	2	.	.	PUNCT
bibechana-18385	170	1	256	256	NUM
bibechana-18385	170	2	(	(	PUNCT
bibechana-18385	170	3	1996	1996	NUM
bibechana-18385	170	4	)	)	PUNCT
bibechana-18385	170	5	391	391	NUM
bibechana-18385	170	6	.	.	PUNCT
bibechana-18385	171	1	doi.org/10.1016/0009-2614(96)00483-6	doi.org/10.1016/0009-2614(96)00483-6	X
bibechana-18385	171	2	.	.	PUNCT
bibechana-18385	172	1	[	[	X
bibechana-18385	172	2	16	16	NUM
bibechana-18385	172	3	]	]	X
bibechana-18385	172	4	a.p	a.p	PROPN
bibechana-18385	172	5	.	.	PROPN
bibechana-18385	172	6	scott	scott	PROPN
bibechana-18385	172	7	and	and	CCONJ
bibechana-18385	172	8	l.	l.	PROPN
bibechana-18385	172	9	radom	radom	PROPN
bibechana-18385	172	10	,	,	PUNCT
bibechana-18385	172	11	harmonic	harmonic	ADJ
bibechana-18385	172	12	vibrational	vibrational	ADJ
bibechana-18385	172	13	frequencies	frequency	NOUN
bibechana-18385	172	14	:	:	PUNCT
bibechana-18385	172	15	  	  	SPACE
bibechana-18385	172	16	an	an	DET
bibechana-18385	172	17	evaluation	evaluation	NOUN
bibechana-18385	172	18	of	of	ADP
bibechana-18385	172	19	hartree−fock	hartree−fock	NOUN
bibechana-18385	172	20	,	,	PUNCT
bibechana-18385	172	21	møller−plesset	møller−plesset	VERB
bibechana-18385	172	22	,	,	PUNCT
bibechana-18385	172	23	quadratic	quadratic	ADJ
bibechana-18385	172	24	configuration	configuration	NOUN
bibechana-18385	172	25	interaction	interaction	NOUN
bibechana-18385	172	26	,	,	PUNCT
bibechana-18385	172	27	density	density	NOUN
bibechana-18385	172	28	functional	functional	ADJ
bibechana-18385	172	29	theory	theory	NOUN
bibechana-18385	172	30	,	,	PUNCT
bibechana-18385	172	31	and	and	CCONJ
bibechana-18385	172	32	semiempirical	semiempirical	ADJ
bibechana-18385	172	33	scale	scale	NOUN
bibechana-18385	172	34	factors	factor	NOUN
bibechana-18385	172	35	,	,	PUNCT
bibechana-18385	172	36	j.	j.	PROPN
bibechana-18385	172	37	phys	phys	PROPN
bibechana-18385	172	38	.	.	PUNCT
bibechana-18385	173	1	chem	chem	PROPN
bibechana-18385	173	2	.	.	PUNCT
bibechana-18385	174	1	100(41	100(41	NUM
bibechana-18385	174	2	)	)	PUNCT
bibechana-18385	174	3	(	(	PUNCT
bibechana-18385	174	4	1996	1996	NUM
bibechana-18385	174	5	)	)	PUNCT
bibechana-18385	175	1	16502	16502	NUM
bibechana-18385	175	2	.	.	PUNCT
bibechana-18385	176	1	doi.org/	doi.org/	ADP
bibechana-18385	176	2	10.1021	10.1021	NUM
bibechana-18385	176	3	/	/	SYM
bibechana-18385	176	4	jp960976r	jp960976r	NOUN
bibechana-18385	176	5	.	.	NOUN
bibechana-18385	176	6	bhawani	bhawani	PROPN
bibechana-18385	176	7	d.	d.	PROPN
bibechana-18385	176	8	joshi	joshi	PROPN
bibechana-18385	176	9	,	,	PUNCT
bibechana-18385	176	10	manoj	manoj	PROPN
bibechana-18385	176	11	k.	k.	PROPN
bibechana-18385	176	12	chaudhary/	chaudhary/	NUM
bibechana-18385	176	13	bibechana	bibechana	NOUN
bibechana-18385	176	14	15	15	NUM
bibechana-18385	176	15	(	(	PUNCT
bibechana-18385	176	16	2018	2018	NUM
bibechana-18385	176	17	)	)	PUNCT
bibechana-18385	176	18	131	131	NUM
bibechana-18385	176	19	-	-	SYM
bibechana-18385	176	20	139	139	NUM
bibechana-18385	176	21	:	:	PUNCT
bibechana-18385	176	22	rcost	rcost	NOUN
bibechana-18385	176	23	p.139	p.139	VERB
bibechana-18385	177	1	[	[	X
bibechana-18385	177	2	17	17	NUM
bibechana-18385	177	3	]	]	X
bibechana-18385	177	4	c.	c.	PROPN
bibechana-18385	177	5	zhang	zhang	PROPN
bibechana-18385	177	6	,	,	PUNCT
bibechana-18385	177	7	y.l	y.l	PROPN
bibechana-18385	177	8	.	.	PROPN
bibechana-18385	177	9	song	song	PROPN
bibechana-18385	177	10	and	and	CCONJ
bibechana-18385	177	11	x.	x.	NOUN
bibechana-18385	177	12	wang	wang	PROPN
bibechana-18385	177	13	,	,	PUNCT
bibechana-18385	177	14	correlations	correlation	NOUN
bibechana-18385	177	15	between	between	ADP
bibechana-18385	177	16	molecular	molecular	ADJ
bibechana-18385	177	17	structures	structure	NOUN
bibechana-18385	177	18	and	and	CCONJ
bibechana-18385	177	19	third	third	ADJ
bibechana-18385	177	20	-	-	PUNCT
bibechana-18385	177	21	order	order	NOUN
bibechana-18385	177	22	non	non	ADJ
bibechana-18385	177	23	-	-	ADJ
bibechana-18385	177	24	linear	linear	ADJ
bibechana-18385	177	25	optical	optical	ADJ
bibechana-18385	177	26	functions	function	NOUN
bibechana-18385	177	27	of	of	ADP
bibechana-18385	177	28	heterothiometallic	heterothiometallic	ADJ
bibechana-18385	177	29	clusters	cluster	NOUN
bibechana-18385	177	30	:	:	PUNCT
bibechana-18385	177	31	a	a	DET
bibechana-18385	177	32	comparative	comparative	ADJ
bibechana-18385	177	33	study	study	NOUN
bibechana-18385	177	34	,	,	PUNCT
bibechana-18385	177	35	chem	chem	NOUN
bibechana-18385	177	36	.	.	PUNCT
bibechana-18385	178	1	reviews	review	VERB
bibechana-18385	178	2	251(1	251(1	NUM
bibechana-18385	178	3	-	-	SYM
bibechana-18385	178	4	2	2	NUM
bibechana-18385	178	5	)	)	PUNCT
bibechana-18385	178	6	(	(	PUNCT
bibechana-18385	178	7	2007	2007	NUM
bibechana-18385	178	8	)	)	PUNCT
bibechana-18385	178	9	111	111	NUM
bibechana-18385	178	10	.	.	PUNCT
bibechana-18385	179	1	https://doi.org/10.1016/j.ccr.2006.06.007	https://doi.org/10.1016/j.ccr.2006.06.007	NOUN
bibechana-18385	179	2	.	.	PUNCT
bibechana-18385	180	1	[	[	X
bibechana-18385	180	2	18	18	NUM
bibechana-18385	180	3	]	]	X
bibechana-18385	180	4	t.m	t.m	PROPN
bibechana-18385	180	5	.	.	PROPN
bibechana-18385	180	6	kolev	kolev	PROPN
bibechana-18385	180	7	,	,	PUNCT
bibechana-18385	180	8	d.y	d.y	PROPN
bibechana-18385	180	9	.	.	PROPN
bibechana-18385	180	10	yancheva	yancheva	PROPN
bibechana-18385	180	11	,	,	PUNCT
bibechana-18385	180	12	b.a	b.a	PROPN
bibechana-18385	180	13	.	.	PROPN
bibechana-18385	180	14	stamboliyska	stamboliyska	PROPN
bibechana-18385	180	15	,	,	PUNCT
bibechana-18385	180	16	m.d	m.d	PROPN
bibechana-18385	180	17	.	.	PROPN
bibechana-18385	180	18	dimitrov	dimitrov	PROPN
bibechana-18385	180	19	and	and	CCONJ
bibechana-18385	180	20	r.	r.	PROPN
bibechana-18385	180	21	wortmann	wortmann	PROPN
bibechana-18385	180	22	,	,	PUNCT
bibechana-18385	180	23	nonlinear	nonlinear	ADJ
bibechana-18385	180	24	optical	optical	ADJ
bibechana-18385	180	25	properties	property	NOUN
bibechana-18385	180	26	of	of	ADP
bibechana-18385	180	27	pyridinium	pyridinium	NOUN
bibechana-18385	180	28	-	-	PUNCT
bibechana-18385	180	29	betaines	betaine	NOUN
bibechana-18385	180	30	of	of	ADP
bibechana-18385	180	31	squaric	squaric	ADJ
bibechana-18385	180	32	acid	acid	NOUN
bibechana-18385	180	33	:	:	PUNCT
bibechana-18385	180	34	experimental	experimental	ADJ
bibechana-18385	180	35	and	and	CCONJ
bibechana-18385	180	36	theoretical	theoretical	ADJ
bibechana-18385	180	37	study	study	NOUN
bibechana-18385	180	38	chem	chem	NOUN
bibechana-18385	180	39	.	.	PUNCT
bibechana-18385	181	1	phys	phy	NOUN
bibechana-18385	181	2	.	.	PUNCT
bibechana-18385	182	1	348	348	NUM
bibechana-18385	182	2	(	(	PUNCT
bibechana-18385	182	3	2008	2008	NUM
bibechana-18385	182	4	)	)	PUNCT
bibechana-18385	182	5	45	45	NUM
bibechana-18385	182	6	.	.	PUNCT
bibechana-18385	182	7	doi.org/10.1016/j.chemphys.2008.02.018	doi.org/10.1016/j.chemphys.2008.02.018	PUNCT
bibechana-18385	182	8	.	.	PUNCT
bibechana-18385	183	1	[	[	X
bibechana-18385	183	2	19	19	NUM
bibechana-18385	183	3	]	]	X
bibechana-18385	183	4	d.a	d.a	PROPN
bibechana-18385	183	5	.	.	PROPN
bibechana-18385	183	6	kleinman	kleinman	PROPN
bibechana-18385	183	7	,	,	PUNCT
bibechana-18385	183	8	nonlinear	nonlinear	ADJ
bibechana-18385	183	9	dielectric	dielectric	ADJ
bibechana-18385	183	10	polarization	polarization	NOUN
bibechana-18385	183	11	in	in	ADP
bibechana-18385	183	12	optical	optical	ADJ
bibechana-18385	183	13	media	medium	NOUN
bibechana-18385	183	14	,	,	PUNCT
bibechana-18385	183	15	phys	phy	NOUN
bibechana-18385	183	16	.	.	PUNCT
bibechana-18385	184	1	rev.126	rev.126	PROPN
bibechana-18385	184	2	(	(	PUNCT
bibechana-18385	184	3	1962	1962	NUM
bibechana-18385	184	4	)	)	PUNCT
bibechana-18385	184	5	1977	1977	NUM
bibechana-18385	184	6	.	.	PUNCT
bibechana-18385	185	1	doi.org/10.1103/physrev.126.1977	doi.org/10.1103/physrev.126.1977	NOUN
bibechana-18385	185	2	.	.	PUNCT
bibechana-18385	186	1	[	[	X
bibechana-18385	186	2	20	20	NUM
bibechana-18385	186	3	]	]	SYM
bibechana-18385	186	4	s.p	s.p	PROPN
bibechana-18385	186	5	.	.	PUNCT
bibechana-18385	186	6	karna	karna	PROPN
bibechana-18385	186	7	,	,	PUNCT
bibechana-18385	186	8	p.n	p.n	PROPN
bibechana-18385	186	9	.	.	PROPN
bibechana-18385	186	10	prasad	prasad	PROPN
bibechana-18385	186	11	and	and	CCONJ
bibechana-18385	186	12	m.	m.	PROPN
bibechana-18385	186	13	dupuis	dupuis	PROPN
bibechana-18385	186	14	,	,	PUNCT
bibechana-18385	186	15	nonlinear	nonlinear	ADJ
bibechana-18385	186	16	optical	optical	ADJ
bibechana-18385	186	17	properties	property	NOUN
bibechana-18385	186	18	of	of	ADP
bibechana-18385	186	19	p‐nitroaniline	p‐nitroaniline	PRON
bibechana-18385	186	20	:	:	PUNCT
bibechana-18385	186	21	an	an	DET
bibechana-18385	186	22	ab	ab	PROPN
bibechana-18385	186	23	initio	initio	NOUN
bibechana-18385	186	24	time‐dependent	time‐dependent	PROPN
bibechana-18385	186	25	coupled	couple	VERB
bibechana-18385	186	26	perturbed	perturb	VERB
bibechana-18385	186	27	hartree	hartree	ADV
bibechana-18385	186	28	–	–	PUNCT
bibechana-18385	186	29	fock	fock	ADJ
bibechana-18385	186	30	study	study	NOUN
bibechana-18385	186	31	,	,	PUNCT
bibechana-18385	186	32	j.	j.	PROPN
bibechana-18385	186	33	chem	chem	PROPN
bibechana-18385	186	34	.	.	PUNCT
bibechana-18385	187	1	phys	phy	NOUN
bibechana-18385	187	2	.	.	PUNCT
bibechana-18385	188	1	94(2	94(2	NUM
bibechana-18385	188	2	)	)	PUNCT
bibechana-18385	188	3	(	(	PUNCT
bibechana-18385	188	4	1991	1991	NUM
bibechana-18385	188	5	)	)	PUNCT
bibechana-18385	188	6	1171	1171	NUM
bibechana-18385	188	7	.	.	PUNCT
bibechana-18385	189	1	doi.org/10.1063/1.460024	doi.org/10.1063/1.460024	VERB
bibechana-18385	189	2	[	[	X
bibechana-18385	189	3	21	21	NUM
bibechana-18385	189	4	]	]	X
bibechana-18385	189	5	c.y	c.y	PROPN
bibechana-18385	189	6	.	.	PROPN
bibechana-18385	189	7	panicker	panicker	PROPN
bibechana-18385	189	8	,	,	PUNCT
bibechana-18385	189	9	h.t	h.t	PROPN
bibechana-18385	189	10	.	.	PROPN
bibechana-18385	189	11	varghese	varghese	PROPN
bibechana-18385	189	12	,	,	PUNCT
bibechana-18385	189	13	p.s	p.s	PROPN
bibechana-18385	189	14	.	.	PROPN
bibechana-18385	189	15	manjula	manjula	PROPN
bibechana-18385	189	16	,	,	PUNCT
bibechana-18385	189	17	b.k	b.k	PROPN
bibechana-18385	189	18	.	.	PROPN
bibechana-18385	189	19	sarojini	sarojini	PROPN
bibechana-18385	189	20	,	,	PUNCT
bibechana-18385	189	21	b.	b.	PROPN
bibechana-18385	189	22	narayana	narayana	PROPN
bibechana-18385	189	23	,	,	PUNCT
bibechana-18385	189	24	j.a	j.a	PROPN
bibechana-18385	189	25	.	.	PROPN
bibechana-18385	189	26	war	war	PROPN
bibechana-18385	189	27	,	,	PUNCT
bibechana-18385	189	28	s.k	s.k	PROPN
bibechana-18385	189	29	.	.	PROPN
bibechana-18385	189	30	srivastava	srivastava	PROPN
bibechana-18385	189	31	,	,	PUNCT
bibechana-18385	189	32	c.	c.	PROPN
bibechana-18385	189	33	van	van	PROPN
bibechana-18385	189	34	alsenoy	alsenoy	PROPN
bibechana-18385	189	35	and	and	CCONJ
bibechana-18385	189	36	a.a	a.a	PROPN
bibechana-18385	189	37	.	.	PROPN
bibechana-18385	189	38	al	al	PROPN
bibechana-18385	189	39	-	-	PUNCT
bibechana-18385	189	40	saadi	saadi	PROPN
bibechana-18385	189	41	,	,	PUNCT
bibechana-18385	189	42	ft	ft	PROPN
bibechana-18385	189	43	-	-	PUNCT
bibechana-18385	189	44	ir	ir	NOUN
bibechana-18385	189	45	,	,	PUNCT
bibechana-18385	189	46	homo	homo	NOUN
bibechana-18385	189	47	–	–	PUNCT
bibechana-18385	189	48	lumo	lumo	NOUN
bibechana-18385	189	49	,	,	PUNCT
bibechana-18385	189	50	nbo	nbo	PROPN
bibechana-18385	189	51	,	,	PUNCT
bibechana-18385	189	52	mep	mep	PROPN
bibechana-18385	189	53	analysis	analysis	NOUN
bibechana-18385	189	54	and	and	CCONJ
bibechana-18385	189	55	molecular	molecular	ADJ
bibechana-18385	189	56	docking	docking	NOUN
bibechana-18385	189	57	study	study	NOUN
bibechana-18385	189	58	of	of	ADP
bibechana-18385	189	59	3	3	NUM
bibechana-18385	189	60	-	-	PUNCT
bibechana-18385	189	61	methyl-4-{(e)-[4-(methylsulfanyl)-benzylidene]amino}1h-1,2,4	methyl-4-{(e)-[4-(methylsulfanyl)-benzylidene]amino}1h-1,2,4	NOUN
bibechana-18385	189	62	-	-	PUNCT
bibechana-18385	189	63	triazole-5(4h)-thione	triazole-5(4h)-thione	NOUN
bibechana-18385	189	64	,	,	PUNCT
bibechana-18385	189	65	spectrochim	spectrochim	PROPN
bibechana-18385	189	66	.	.	PUNCT
bibechana-18385	190	1	acta	acta	PROPN
bibechana-18385	190	2	a	a	DET
bibechana-18385	190	3	151	151	NUM
bibechana-18385	190	4	(	(	PUNCT
bibechana-18385	190	5	2015	2015	NUM
bibechana-18385	190	6	)	)	PUNCT
bibechana-18385	190	7	198	198	NUM
bibechana-18385	190	8	.	.	PUNCT
bibechana-18385	191	1	doi.org/10.1016/j.saa.2015.06.076	doi.org/10.1016/j.saa.2015.06.076	ADJ
bibechana-18385	191	2	.	.	PUNCT