id	sid	tid	token	lemma	pos
bibechana-15892	1	1	bhawani	bhawani	PROPN
bibechana-15892	1	2	dutt	dutt	PROPN
bibechana-15892	1	3	joshi	joshi	PROPN
bibechana-15892	1	4	/	/	SYM
bibechana-15892	1	5	bibechana	bibechana	PROPN
bibechana-15892	1	6	14	14	NUM
bibechana-15892	1	7	(	(	PUNCT
bibechana-15892	1	8	2017	2017	NUM
bibechana-15892	1	9	)	)	PUNCT
bibechana-15892	1	10	86	86	NUM
bibechana-15892	1	11	-	-	SYM
bibechana-15892	1	12	97	97	NUM
bibechana-15892	1	13	:	:	PUNCT
bibechana-15892	1	14	rcost	rcost	NOUN
bibechana-15892	1	15	p.86	p.86	PROPN
bibechana-15892	1	16	(	(	PUNCT
bibechana-15892	1	17	online	online	ADJ
bibechana-15892	1	18	publication	publication	NOUN
bibechana-15892	1	19	:	:	PUNCT
bibechana-15892	1	20	dec	dec	PROPN
bibechana-15892	1	21	.	.	PROPN
bibechana-15892	1	22	,	,	PUNCT
bibechana-15892	1	23	2016	2016	NUM
bibechana-15892	1	24	)	)	PUNCT
bibechana-15892	1	25	bibechana	bibechana	NOUN
bibechana-15892	1	26	a	a	DET
bibechana-15892	1	27	multidisciplinary	multidisciplinary	ADJ
bibechana-15892	1	28	journal	journal	NOUN
bibechana-15892	1	29	of	of	ADP
bibechana-15892	1	30	science	science	NOUN
bibechana-15892	1	31	,	,	PUNCT
bibechana-15892	1	32	technology	technology	NOUN
bibechana-15892	1	33	and	and	CCONJ
bibechana-15892	1	34	mathematics	mathematic	NOUN
bibechana-15892	1	35	issn	issn	VERB
bibechana-15892	1	36	2091	2091	NUM
bibechana-15892	1	37	-	-	SYM
bibechana-15892	1	38	0762	0762	NUM
bibechana-15892	1	39	(	(	PUNCT
bibechana-15892	1	40	print	print	NOUN
bibechana-15892	1	41	)	)	PUNCT
bibechana-15892	1	42	,	,	PUNCT
bibechana-15892	1	43	2382	2382	NUM
bibechana-15892	1	44	-	-	SYM
bibechana-15892	1	45	5340	5340	NUM
bibechana-15892	1	46	(	(	PUNCT
bibechana-15892	1	47	0nline	0nline	NUM
bibechana-15892	1	48	)	)	PUNCT
bibechana-15892	1	49	journal	journal	NOUN
bibechana-15892	1	50	homepage	homepage	NOUN
bibechana-15892	1	51	:	:	PUNCT
bibechana-15892	1	52	http://nepjol.info/index.php/bibechana	http://nepjol.info/index.php/bibechana	PROPN
bibechana-15892	1	53	publisher	publisher	NOUN
bibechana-15892	1	54	:	:	PUNCT
bibechana-15892	1	55	research	research	PROPN
bibechana-15892	1	56	council	council	PROPN
bibechana-15892	1	57	of	of	ADP
bibechana-15892	1	58	science	science	NOUN
bibechana-15892	1	59	and	and	CCONJ
bibechana-15892	1	60	technology	technology	NOUN
bibechana-15892	1	61	,	,	PUNCT
bibechana-15892	1	62	biratnagar	biratnagar	NOUN
bibechana-15892	1	63	,	,	PUNCT
bibechana-15892	1	64	nepal	nepal	PROPN
bibechana-15892	1	65	nbo	nbo	PROPN
bibechana-15892	1	66	,	,	PUNCT
bibechana-15892	1	67	chemical	chemical	NOUN
bibechana-15892	1	68	reactivity	reactivity	NOUN
bibechana-15892	1	69	,	,	PUNCT
bibechana-15892	1	70	thermodynamic	thermodynamic	ADJ
bibechana-15892	1	71	properties	property	NOUN
bibechana-15892	1	72	and	and	CCONJ
bibechana-15892	1	73	hyperpolarizability	hyperpolarizability	NOUN
bibechana-15892	1	74	analysis	analysis	NOUN
bibechana-15892	1	75	of	of	ADP
bibechana-15892	1	76	aristolochic	aristolochic	ADJ
bibechana-15892	1	77	acid	acid	NOUN
bibechana-15892	1	78	ii	ii	PROPN
bibechana-15892	1	79	bhawani	bhawani	PROPN
bibechana-15892	1	80	datt	datt	PROPN
bibechana-15892	1	81	joshi	joshi	PROPN
bibechana-15892	1	82	department	department	PROPN
bibechana-15892	1	83	of	of	ADP
bibechana-15892	1	84	physics	physics	PROPN
bibechana-15892	1	85	,	,	PUNCT
bibechana-15892	1	86	tribhuvan	tribhuvan	PROPN
bibechana-15892	1	87	university	university	PROPN
bibechana-15892	1	88	,	,	PUNCT
bibechana-15892	1	89	siddhanath	siddhanath	PROPN
bibechana-15892	1	90	sc	sc	PROPN
bibechana-15892	1	91	.	.	PUNCT
bibechana-15892	1	92	campus	campus	PROPN
bibechana-15892	1	93	,	,	PUNCT
bibechana-15892	1	94	mahendranagar	mahendranagar	NOUN
bibechana-15892	1	95	,	,	PUNCT
bibechana-15892	1	96	nepal	nepal	NOUN
bibechana-15892	1	97	*	*	PUNCT
bibechana-15892	1	98	email	email	NOUN
bibechana-15892	1	99	bdjoshi_007@yahoo.com	bdjoshi_007@yahoo.com	PROPN
bibechana-15892	1	100	,	,	PUNCT
bibechana-15892	1	101	pbdjoshi@gmail.com	pbdjoshi@gmail.com	X
bibechana-15892	2	1	article	article	NOUN
bibechana-15892	2	2	history	history	NOUN
bibechana-15892	2	3	:	:	PUNCT
bibechana-15892	2	4	received	receive	VERB
bibechana-15892	2	5	3	3	NUM
bibechana-15892	2	6	september	september	PROPN
bibechana-15892	2	7	,	,	PUNCT
bibechana-15892	2	8	2016	2016	NUM
bibechana-15892	2	9	;	;	PUNCT
bibechana-15892	2	10	accepted	accept	VERB
bibechana-15892	2	11	8	8	NUM
bibechana-15892	2	12	october	october	PROPN
bibechana-15892	2	13	,	,	PUNCT
bibechana-15892	2	14	2016	2016	NUM
bibechana-15892	2	15	doi	doi	NOUN
bibechana-15892	2	16	:	:	PUNCT
bibechana-15892	2	17	http://dx.doi.org/10.3126/bibechana.v14i0.15892	http://dx.doi.org/10.3126/bibechana.v14i0.15892	VERB
bibechana-15892	2	18	this	this	DET
bibechana-15892	2	19	work	work	NOUN
bibechana-15892	2	20	is	be	AUX
bibechana-15892	2	21	licensed	license	VERB
bibechana-15892	2	22	under	under	ADP
bibechana-15892	2	23	the	the	DET
bibechana-15892	2	24	creative	creative	ADJ
bibechana-15892	2	25	commons	common	NOUN
bibechana-15892	2	26	cc	cc	ADP
bibechana-15892	2	27	by	by	ADP
bibechana-15892	2	28	-	-	PUNCT
bibechana-15892	2	29	nc	nc	NOUN
bibechana-15892	2	30	license	license	NOUN
bibechana-15892	2	31	.	.	PUNCT
bibechana-15892	3	1	https://creativecommons.org/licenses/by-nc/4.0/	https://creativecommons.org/licenses/by-nc/4.0/	PRON
bibechana-15892	3	2	abstract	abstract	ADJ
bibechana-15892	3	3	alkaloids	alkaloid	NOUN
bibechana-15892	3	4	are	be	AUX
bibechana-15892	3	5	a	a	DET
bibechana-15892	3	6	group	group	NOUN
bibechana-15892	3	7	of	of	ADP
bibechana-15892	3	8	naturally	naturally	ADV
bibechana-15892	3	9	occurring	occur	VERB
bibechana-15892	3	10	chemical	chemical	NOUN
bibechana-15892	3	11	compounds	compound	NOUN
bibechana-15892	3	12	and	and	CCONJ
bibechana-15892	3	13	show	show	VERB
bibechana-15892	3	14	immense	immense	ADJ
bibechana-15892	3	15	potential	potential	NOUN
bibechana-15892	3	16	of	of	ADP
bibechana-15892	3	17	medicinal	medicinal	ADJ
bibechana-15892	3	18	uses	use	NOUN
bibechana-15892	3	19	in	in	ADP
bibechana-15892	3	20	traditional	traditional	ADJ
bibechana-15892	3	21	systems	system	NOUN
bibechana-15892	3	22	.	.	PUNCT
bibechana-15892	4	1	in	in	ADP
bibechana-15892	4	2	this	this	DET
bibechana-15892	4	3	work	work	NOUN
bibechana-15892	4	4	,	,	PUNCT
bibechana-15892	4	5	a	a	DET
bibechana-15892	4	6	computational	computational	ADJ
bibechana-15892	4	7	study	study	NOUN
bibechana-15892	4	8	on	on	ADP
bibechana-15892	4	9	an	an	DET
bibechana-15892	4	10	alkaloid	alkaloid	ADJ
bibechana-15892	4	11	aristolochc	aristolochc	NOUN
bibechana-15892	4	12	acidid	acidid	PROPN
bibechana-15892	4	13	ii	ii	PROPN
bibechana-15892	4	14	(	(	PUNCT
bibechana-15892	4	15	aa	aa	PROPN
bibechana-15892	4	16	ii	ii	PROPN
bibechana-15892	4	17	)	)	PUNCT
bibechana-15892	4	18	is	be	AUX
bibechana-15892	4	19	presented	present	VERB
bibechana-15892	4	20	using	use	VERB
bibechana-15892	4	21	density	density	NOUN
bibechana-15892	4	22	functional	functional	ADJ
bibechana-15892	4	23	theory	theory	NOUN
bibechana-15892	4	24	,	,	PUNCT
bibechana-15892	4	25	b3lyp	b3lyp	X
bibechana-15892	5	1	functional	functional	ADJ
bibechana-15892	5	2	employing	employ	VERB
bibechana-15892	5	3	6	6	NUM
bibechana-15892	5	4	-	-	SYM
bibechana-15892	5	5	311	311	NUM
bibechana-15892	5	6	g	g	NOUN
bibechana-15892	5	7	(	(	PUNCT
bibechana-15892	5	8	d	d	PROPN
bibechana-15892	5	9	,	,	PUNCT
bibechana-15892	5	10	p	p	NOUN
bibechana-15892	5	11	)	)	PUNCT
bibechana-15892	5	12	basis	basis	NOUN
bibechana-15892	5	13	set	set	NOUN
bibechana-15892	5	14	.	.	PUNCT
bibechana-15892	6	1	natural	natural	ADJ
bibechana-15892	6	2	bond	bond	NOUN
bibechana-15892	6	3	orbital	orbital	ADJ
bibechana-15892	6	4	analysis	analysis	NOUN
bibechana-15892	6	5	has	have	AUX
bibechana-15892	6	6	been	be	AUX
bibechana-15892	6	7	carried	carry	VERB
bibechana-15892	6	8	out	out	ADP
bibechana-15892	6	9	to	to	PART
bibechana-15892	6	10	investigate	investigate	VERB
bibechana-15892	6	11	the	the	DET
bibechana-15892	6	12	various	various	ADJ
bibechana-15892	6	13	conjugative	conjugative	ADJ
bibechana-15892	6	14	and	and	CCONJ
bibechana-15892	6	15	hyperconjugative	hyperconjugative	ADJ
bibechana-15892	6	16	interactions	interaction	NOUN
bibechana-15892	6	17	within	within	ADP
bibechana-15892	6	18	the	the	DET
bibechana-15892	6	19	molecule	molecule	NOUN
bibechana-15892	6	20	and	and	CCONJ
bibechana-15892	6	21	their	their	PRON
bibechana-15892	6	22	second	second	ADJ
bibechana-15892	6	23	-	-	PUNCT
bibechana-15892	6	24	order	order	NOUN
bibechana-15892	6	25	stabilisation	stabilisation	NOUN
bibechana-15892	6	26	energy	energy	NOUN
bibechana-15892	6	27	(	(	PUNCT
bibechana-15892	6	28	e(2	e(2	NOUN
bibechana-15892	6	29	)	)	PUNCT
bibechana-15892	6	30	)	)	PUNCT
bibechana-15892	6	31	.	.	PUNCT
bibechana-15892	7	1	the	the	DET
bibechana-15892	7	2	local	local	ADJ
bibechana-15892	7	3	nucleophilic	nucleophilic	ADJ
bibechana-15892	7	4	reactivity	reactivity	NOUN
bibechana-15892	7	5	descriptors	descriptor	NOUN
bibechana-15892	7	6	such	such	ADJ
bibechana-15892	7	7	as	as	ADP
bibechana-15892	7	8	fukui	fukui	PROPN
bibechana-15892	7	9	functions	function	NOUN
bibechana-15892	7	10	(	(	PUNCT
bibechana-15892	7	11	𝑓𝑘	𝑓𝑘	ADP
bibechana-15892	7	12	+	+	ADV
bibechana-15892	7	13	,	,	PUNCT
bibechana-15892	7	14	𝑓𝑘	𝑓𝑘	ADP
bibechana-15892	7	15	−	−	NOUN
bibechana-15892	7	16	)	)	PUNCT
bibechana-15892	7	17	,	,	PUNCT
bibechana-15892	7	18	local	local	ADJ
bibechana-15892	7	19	softness	softness	NOUN
bibechana-15892	7	20	(	(	PUNCT
bibechana-15892	7	21	𝑠𝑘	𝑠𝑘	NOUN
bibechana-15892	7	22	+	+	PROPN
bibechana-15892	7	23	,	,	PUNCT
bibechana-15892	7	24	𝑠𝑘	𝑠𝑘	NOUN
bibechana-15892	7	25	−	−	PROPN
bibechana-15892	7	26	)	)	PUNCT
bibechana-15892	7	27	and	and	CCONJ
bibechana-15892	7	28	electrophilicity	electrophilicity	NOUN
bibechana-15892	7	29	indices	index	NOUN
bibechana-15892	7	30	(	(	PUNCT
bibechana-15892	7	31	ω𝑘	ω𝑘	ADP
bibechana-15892	7	32	,	,	PUNCT
bibechana-15892	7	33	+	+	CCONJ
bibechana-15892	7	34	,	,	PUNCT
bibechana-15892	7	35	ω𝑘	ω𝑘	ADP
bibechana-15892	7	36	−	−	NOUN
bibechana-15892	7	37	)	)	PUNCT
bibechana-15892	7	38	analyses	analysis	NOUN
bibechana-15892	7	39	have	have	AUX
bibechana-15892	7	40	been	be	AUX
bibechana-15892	7	41	carried	carry	VERB
bibechana-15892	7	42	out	out	ADP
bibechana-15892	7	43	to	to	PART
bibechana-15892	7	44	determine	determine	VERB
bibechana-15892	7	45	the	the	DET
bibechana-15892	7	46	reactive	reactive	ADJ
bibechana-15892	7	47	sites	site	NOUN
bibechana-15892	7	48	within	within	ADP
bibechana-15892	7	49	the	the	DET
bibechana-15892	7	50	molecule	molecule	NOUN
bibechana-15892	7	51	.	.	PUNCT
bibechana-15892	8	1	the	the	DET
bibechana-15892	8	2	non	non	ADJ
bibechana-15892	8	3	-	-	ADJ
bibechana-15892	8	4	linear	linear	ADJ
bibechana-15892	8	5	optical	optical	ADJ
bibechana-15892	8	6	properties	property	NOUN
bibechana-15892	8	7	have	have	AUX
bibechana-15892	8	8	been	be	AUX
bibechana-15892	8	9	calculated	calculate	VERB
bibechana-15892	8	10	using	use	VERB
bibechana-15892	8	11	the	the	DET
bibechana-15892	8	12	same	same	ADJ
bibechana-15892	8	13	basis	basis	NOUN
bibechana-15892	8	14	set	set	NOUN
bibechana-15892	8	15	.	.	PUNCT
bibechana-15892	9	1	the	the	DET
bibechana-15892	9	2	calculated	calculate	VERB
bibechana-15892	9	3	value	value	NOUN
bibechana-15892	9	4	of	of	ADP
bibechana-15892	9	5	the	the	DET
bibechana-15892	9	6	first	first	ADJ
bibechana-15892	9	7	order	order	NOUN
bibechana-15892	9	8	hyperpolarisability	hyperpolarisability	NOUN
bibechana-15892	9	9	(	(	PUNCT
bibechana-15892	9	10	β0	β0	NOUN
bibechana-15892	9	11	)	)	PUNCT
bibechana-15892	9	12	,	,	PUNCT
bibechana-15892	9	13	suggests	suggest	VERB
bibechana-15892	9	14	that	that	SCONJ
bibechana-15892	9	15	the	the	DET
bibechana-15892	9	16	investigated	investigated	ADJ
bibechana-15892	9	17	molecule	molecule	NOUN
bibechana-15892	9	18	is	be	AUX
bibechana-15892	9	19	an	an	DET
bibechana-15892	9	20	attractive	attractive	ADJ
bibechana-15892	9	21	object	object	NOUN
bibechana-15892	9	22	in	in	ADP
bibechana-15892	9	23	future	future	NOUN
bibechana-15892	9	24	for	for	ADP
bibechana-15892	9	25	non	non	ADJ
bibechana-15892	9	26	-	-	ADJ
bibechana-15892	9	27	linear	linear	ADJ
bibechana-15892	9	28	optical	optical	ADJ
bibechana-15892	9	29	properties	property	NOUN
bibechana-15892	9	30	.	.	PUNCT
bibechana-15892	10	1	keywords	keyword	NOUN
bibechana-15892	10	2	:	:	PUNCT
bibechana-15892	10	3	aa	aa	PROPN
bibechana-15892	10	4	ii	ii	PROPN
bibechana-15892	10	5	;	;	PUNCT
bibechana-15892	10	6	dft	dft	PROPN
bibechana-15892	10	7	;	;	PUNCT
bibechana-15892	10	8	nbo	nbo	PROPN
bibechana-15892	10	9	;	;	PUNCT
bibechana-15892	10	10	chemical	chemical	NOUN
bibechana-15892	10	11	reactivity	reactivity	NOUN
bibechana-15892	10	12	;	;	PUNCT
bibechana-15892	10	13	hyperpolarizability	hyperpolarizability	NOUN
bibechana-15892	10	14	.	.	PUNCT
bibechana-15892	10	15	.	.	PUNCT
bibechana-15892	11	1	1	1	X
bibechana-15892	11	2	.	.	X
bibechana-15892	11	3	introduction	introduction	NOUN
bibechana-15892	11	4	majority	majority	NOUN
bibechana-15892	11	5	of	of	ADP
bibechana-15892	11	6	drugs	drug	NOUN
bibechana-15892	11	7	in	in	ADP
bibechana-15892	11	8	use	use	NOUN
bibechana-15892	11	9	today	today	NOUN
bibechana-15892	11	10	are	be	AUX
bibechana-15892	11	11	natural	natural	ADJ
bibechana-15892	11	12	products	product	NOUN
bibechana-15892	11	13	,	,	PUNCT
bibechana-15892	11	14	natural	natural	ADJ
bibechana-15892	11	15	product	product	NOUN
bibechana-15892	11	16	mimics	mimic	VERB
bibechana-15892	11	17	or	or	CCONJ
bibechana-15892	11	18	semi	semi	ADV
bibechana-15892	11	19	synthetic	synthetic	ADJ
bibechana-15892	11	20	derivatives	derivative	NOUN
bibechana-15892	11	21	.	.	PUNCT
bibechana-15892	12	1	therefore	therefore	ADV
bibechana-15892	12	2	in	in	ADP
bibechana-15892	12	3	recent	recent	ADJ
bibechana-15892	12	4	times	time	NOUN
bibechana-15892	12	5	,	,	PUNCT
bibechana-15892	12	6	focus	focus	VERB
bibechana-15892	12	7	on	on	ADP
bibechana-15892	12	8	plant	plant	NOUN
bibechana-15892	12	9	research	research	NOUN
bibechana-15892	12	10	has	have	AUX
bibechana-15892	12	11	increased	increase	VERB
bibechana-15892	12	12	all	all	ADV
bibechana-15892	12	13	over	over	ADP
bibechana-15892	12	14	the	the	DET
bibechana-15892	12	15	world	world	NOUN
bibechana-15892	12	16	and	and	CCONJ
bibechana-15892	12	17	large	large	ADJ
bibechana-15892	12	18	body	body	NOUN
bibechana-15892	12	19	of	of	ADP
bibechana-15892	12	20	evidence	evidence	NOUN
bibechana-15892	12	21	has	have	AUX
bibechana-15892	12	22	been	be	AUX
bibechana-15892	12	23	collected	collect	VERB
bibechana-15892	12	24	to	to	PART
bibechana-15892	12	25	show	show	VERB
bibechana-15892	12	26	immense	immense	ADJ
bibechana-15892	12	27	potential	potential	NOUN
bibechana-15892	12	28	of	of	ADP
bibechana-15892	12	29	medicinal	medicinal	ADJ
bibechana-15892	12	30	plants	plant	NOUN
bibechana-15892	12	31	used	use	VERB
bibechana-15892	12	32	in	in	ADP
bibechana-15892	12	33	various	various	ADJ
bibechana-15892	12	34	traditional	traditional	ADJ
bibechana-15892	12	35	systems	system	NOUN
bibechana-15892	12	36	.	.	PUNCT
bibechana-15892	13	1	plants	plant	NOUN
bibechana-15892	13	2	are	be	AUX
bibechana-15892	13	3	sources	source	NOUN
bibechana-15892	13	4	of	of	ADP
bibechana-15892	13	5	natural	natural	ADJ
bibechana-15892	13	6	antioxidants	antioxidant	NOUN
bibechana-15892	13	7	,	,	PUNCT
bibechana-15892	13	8	and	and	CCONJ
bibechana-15892	13	9	some	some	PRON
bibechana-15892	13	10	of	of	ADP
bibechana-15892	13	11	the	the	DET
bibechana-15892	13	12	compounds	compound	NOUN
bibechana-15892	13	13	have	have	VERB
bibechana-15892	13	14	significant	significant	ADJ
bibechana-15892	13	15	antioxidative	antioxidative	ADJ
bibechana-15892	13	16	properties	property	NOUN
bibechana-15892	13	17	and	and	CCONJ
bibechana-15892	13	18	health	health	NOUN
bibechana-15892	13	19	benefits	benefit	NOUN
bibechana-15892	13	20	.	.	PUNCT
bibechana-15892	14	1	aristolochic	aristolochic	ADJ
bibechana-15892	14	2	acids	acid	NOUN
bibechana-15892	14	3	(	(	PUNCT
bibechana-15892	14	4	aas	aas	NOUN
bibechana-15892	14	5	)	)	PUNCT
bibechana-15892	14	6	which	which	PRON
bibechana-15892	14	7	mainly	mainly	ADV
bibechana-15892	14	8	include	include	VERB
bibechana-15892	14	9	aristolochic	aristolochic	ADJ
bibechana-15892	14	10	acid	acid	NOUN
bibechana-15892	14	11	i	i	PRON
bibechana-15892	14	12	(	(	PUNCT
bibechana-15892	14	13	aa	aa	PROPN
bibechana-15892	14	14	i	i	PROPN
bibechana-15892	14	15	)	)	PUNCT
bibechana-15892	14	16	,	,	PUNCT
bibechana-15892	14	17	aristolochic	aristolochic	ADJ
bibechana-15892	14	18	acid	acid	PROPN
bibechana-15892	14	19	ii	ii	PROPN
bibechana-15892	14	20	(	(	PUNCT
bibechana-15892	14	21	aa	aa	PROPN
bibechana-15892	14	22	ii	ii	PROPN
bibechana-15892	14	23	)	)	PUNCT
bibechana-15892	14	24	and	and	CCONJ
bibechana-15892	14	25	aristolochic	aristolochic	ADJ
bibechana-15892	14	26	acid	acid	PROPN
bibechana-15892	14	27	iii	iii	X
bibechana-15892	14	28	(	(	PUNCT
bibechana-15892	14	29	aa	aa	PROPN
bibechana-15892	14	30	iii	iii	PROPN
bibechana-15892	14	31	)	)	PUNCT
bibechana-15892	14	32	are	be	AUX
bibechana-15892	14	33	normally	normally	ADV
bibechana-15892	14	34	present	present	ADJ
bibechana-15892	14	35	in	in	ADP
bibechana-15892	14	36	aristolochia	aristolochia	PROPN
bibechana-15892	14	37	and	and	CCONJ
bibechana-15892	14	38	asarum	asarum	PROPN
bibechana-15892	14	39	of	of	ADP
bibechana-15892	14	40	aristolochiaceae	aristolochiaceae	PROPN
bibechana-15892	15	1	[	[	X
bibechana-15892	15	2	1	1	NUM
bibechana-15892	15	3	]	]	PUNCT
bibechana-15892	15	4	.	.	PUNCT
bibechana-15892	16	1	in	in	ADP
bibechana-15892	16	2	oriental	oriental	ADJ
bibechana-15892	16	3	medicine	medicine	NOUN
bibechana-15892	16	4	the	the	DET
bibechana-15892	16	5	fruit	fruit	NOUN
bibechana-15892	16	6	of	of	ADP
bibechana-15892	16	7	aristolochia	aristolochia	PROPN
bibechana-15892	16	8	is	be	AUX
bibechana-15892	16	9	given	give	VERB
bibechana-15892	16	10	for	for	ADP
bibechana-15892	16	11	cough	cough	NOUN
bibechana-15892	16	12	and	and	CCONJ
bibechana-15892	16	13	dyspnea	dyspnea	NOUN
bibechana-15892	16	14	.	.	PUNCT
bibechana-15892	17	1	their	their	PRON
bibechana-15892	17	2	roots	root	NOUN
bibechana-15892	17	3	have	have	VERB
bibechana-15892	17	4	biological	biological	ADJ
bibechana-15892	17	5	functions	function	NOUN
bibechana-15892	17	6	including	include	VERB
bibechana-15892	17	7	treatment	treatment	NOUN
bibechana-15892	17	8	of	of	ADP
bibechana-15892	17	9	stomach	stomach	NOUN
bibechana-15892	17	10	-	-	PUNCT
bibechana-15892	17	11	ache	ache	ADJ
bibechana-15892	17	12	,	,	PUNCT
bibechana-15892	17	13	http://nepjol.info/index.php/bibechana	http://nepjol.info/index.php/bibechana	PROPN
bibechana-15892	17	14	mailto:bdjoshi_007@yahoo.com	mailto:bdjoshi_007@yahoo.com	PROPN
bibechana-15892	17	15	mailto:pbdjoshi@gmail.com	mailto:pbdjoshi@gmail.com	PROPN
bibechana-15892	17	16	http://dx.doi.org/10.3126/bibechana.v14i0.15	http://dx.doi.org/10.3126/bibechana.v14i0.15	PROPN
bibechana-15892	17	17	https://creativecommons.org/licenses/by-nc/4.0/	https://creativecommons.org/licenses/by-nc/4.0/	PRON
bibechana-15892	17	18	https://creativecommons.org/licenses/by-nc/4.0/	https://creativecommons.org/licenses/by-nc/4.0/	PROPN
bibechana-15892	17	19	https://en.wikipedia.org/wiki/natural_product	https://en.wikipedia.org/wiki/natural_product	NOUN
bibechana-15892	17	20	https://en.wikipedia.org/wiki/chemical_compound	https://en.wikipedia.org/wiki/chemical_compound	VERB
bibechana-15892	17	21	https://creativecommons.org/licenses/by-nc/4.0/	https://creativecommons.org/licenses/by-nc/4.0/	PROPN
bibechana-15892	17	22	bhawani	bhawani	ADJ
bibechana-15892	17	23	dutt	dutt	PROPN
bibechana-15892	17	24	joshi	joshi	PROPN
bibechana-15892	17	25	/	/	SYM
bibechana-15892	17	26	bibechana	bibechana	PROPN
bibechana-15892	17	27	14	14	NUM
bibechana-15892	17	28	(	(	PUNCT
bibechana-15892	17	29	2017	2017	NUM
bibechana-15892	17	30	)	)	PUNCT
bibechana-15892	17	31	86	86	NUM
bibechana-15892	17	32	-	-	SYM
bibechana-15892	17	33	97	97	NUM
bibechana-15892	17	34	:	:	PUNCT
bibechana-15892	17	35	rcost	rcost	NOUN
bibechana-15892	17	36	p.87	p.87	PROPN
bibechana-15892	17	37	(	(	PUNCT
bibechana-15892	17	38	online	online	ADJ
bibechana-15892	17	39	publication	publication	NOUN
bibechana-15892	17	40	:	:	PUNCT
bibechana-15892	17	41	dec	dec	PROPN
bibechana-15892	17	42	.	.	PROPN
bibechana-15892	17	43	,	,	PUNCT
bibechana-15892	17	44	2016	2016	NUM
bibechana-15892	17	45	)	)	PUNCT
bibechana-15892	17	46	toothache	toothache	NOUN
bibechana-15892	17	47	,	,	PUNCT
bibechana-15892	17	48	eczema	eczema	NOUN
bibechana-15892	17	49	,	,	PUNCT
bibechana-15892	17	50	hypertension	hypertension	NOUN
bibechana-15892	17	51	relief	relief	NOUN
bibechana-15892	17	52	,	,	PUNCT
bibechana-15892	17	53	rheumatism	rheumatism	NOUN
bibechana-15892	17	54	relief	relief	NOUN
bibechana-15892	17	55	,	,	PUNCT
bibechana-15892	17	56	leukocyte	leukocyte	ADJ
bibechana-15892	17	57	enhancement	enhancement	NOUN
bibechana-15892	17	58	,	,	PUNCT
bibechana-15892	17	59	edema	edema	NOUN
bibechana-15892	17	60	therapy	therapy	NOUN
bibechana-15892	17	61	,	,	PUNCT
bibechana-15892	17	62	poisonous	poisonous	ADJ
bibechana-15892	17	63	snake	snake	NOUN
bibechana-15892	17	64	bites	bite	NOUN
bibechana-15892	17	65	as	as	ADV
bibechana-15892	17	66	well	well	ADV
bibechana-15892	17	67	as	as	ADP
bibechana-15892	17	68	analgesic	analgesic	ADJ
bibechana-15892	17	69	and	and	CCONJ
bibechana-15892	17	70	diuretic	diuretic	ADJ
bibechana-15892	17	71	effects	effect	NOUN
bibechana-15892	17	72	[	[	X
bibechana-15892	17	73	2,3	2,3	NUM
bibechana-15892	17	74	]	]	PUNCT
bibechana-15892	17	75	.	.	PUNCT
bibechana-15892	18	1	in	in	ADP
bibechana-15892	18	2	the	the	DET
bibechana-15892	18	3	family	family	NOUN
bibechana-15892	18	4	of	of	ADP
bibechana-15892	18	5	natural	natural	ADJ
bibechana-15892	18	6	products	product	NOUN
bibechana-15892	18	7	,	,	PUNCT
bibechana-15892	18	8	the	the	DET
bibechana-15892	18	9	alkaloids	alkaloid	NOUN
bibechana-15892	18	10	occupy	occupy	VERB
bibechana-15892	18	11	a	a	DET
bibechana-15892	18	12	unique	unique	ADJ
bibechana-15892	18	13	place	place	NOUN
bibechana-15892	18	14	and	and	CCONJ
bibechana-15892	18	15	provide	provide	VERB
bibechana-15892	18	16	challenging	challenging	ADJ
bibechana-15892	18	17	problems	problem	NOUN
bibechana-15892	18	18	for	for	ADP
bibechana-15892	18	19	structural	structural	ADJ
bibechana-15892	18	20	elucidation	elucidation	NOUN
bibechana-15892	18	21	,	,	PUNCT
bibechana-15892	18	22	synthetic	synthetic	ADJ
bibechana-15892	18	23	and	and	CCONJ
bibechana-15892	18	24	biosynthetic	biosynthetic	ADJ
bibechana-15892	18	25	studies	study	NOUN
bibechana-15892	18	26	.	.	PUNCT
bibechana-15892	19	1	because	because	SCONJ
bibechana-15892	19	2	of	of	ADP
bibechana-15892	19	3	their	their	PRON
bibechana-15892	19	4	very	very	ADV
bibechana-15892	19	5	complex	complex	ADJ
bibechana-15892	19	6	structure	structure	NOUN
bibechana-15892	19	7	and	and	CCONJ
bibechana-15892	19	8	unique	unique	ADJ
bibechana-15892	19	9	places	place	NOUN
bibechana-15892	19	10	the	the	DET
bibechana-15892	19	11	determination	determination	NOUN
bibechana-15892	19	12	of	of	ADP
bibechana-15892	19	13	their	their	PRON
bibechana-15892	19	14	constitution	constitution	NOUN
bibechana-15892	19	15	and	and	CCONJ
bibechana-15892	19	16	the	the	DET
bibechana-15892	19	17	discovery	discovery	NOUN
bibechana-15892	19	18	of	of	ADP
bibechana-15892	19	19	the	the	DET
bibechana-15892	19	20	methods	method	NOUN
bibechana-15892	19	21	producing	produce	VERB
bibechana-15892	19	22	them	they	PRON
bibechana-15892	19	23	synthetically	synthetically	ADV
bibechana-15892	19	24	offer	offer	VERB
bibechana-15892	19	25	attractive	attractive	ADJ
bibechana-15892	19	26	problems	problem	NOUN
bibechana-15892	19	27	to	to	ADP
bibechana-15892	19	28	the	the	DET
bibechana-15892	19	29	chemist	chemist	NOUN
bibechana-15892	19	30	and	and	CCONJ
bibechana-15892	19	31	though	though	SCONJ
bibechana-15892	19	32	a	a	DET
bibechana-15892	19	33	great	great	ADJ
bibechana-15892	19	34	deal	deal	NOUN
bibechana-15892	19	35	has	have	AUX
bibechana-15892	19	36	been	be	AUX
bibechana-15892	19	37	accomplished	accomplish	VERB
bibechana-15892	19	38	much	much	ADJ
bibechana-15892	19	39	still	still	ADV
bibechana-15892	19	40	remains	remain	VERB
bibechana-15892	19	41	to	to	PART
bibechana-15892	19	42	be	be	AUX
bibechana-15892	19	43	done	do	VERB
bibechana-15892	19	44	in	in	ADP
bibechana-15892	19	45	this	this	DET
bibechana-15892	19	46	field	field	NOUN
bibechana-15892	19	47	.	.	PUNCT
bibechana-15892	20	1	vibrational	vibrational	ADJ
bibechana-15892	20	2	spectroscopy	spectroscopy	NOUN
bibechana-15892	20	3	is	be	AUX
bibechana-15892	20	4	a	a	DET
bibechana-15892	20	5	very	very	ADV
bibechana-15892	20	6	valuable	valuable	ADJ
bibechana-15892	20	7	method	method	NOUN
bibechana-15892	20	8	for	for	ADP
bibechana-15892	20	9	studying	study	VERB
bibechana-15892	20	10	the	the	DET
bibechana-15892	20	11	dynamical	dynamical	ADJ
bibechana-15892	20	12	behavior	behavior	NOUN
bibechana-15892	20	13	and	and	CCONJ
bibechana-15892	20	14	to	to	PART
bibechana-15892	20	15	gain	gain	VERB
bibechana-15892	20	16	insight	insight	NOUN
bibechana-15892	20	17	into	into	ADP
bibechana-15892	20	18	the	the	DET
bibechana-15892	20	19	electronic	electronic	ADJ
bibechana-15892	20	20	structures	structure	NOUN
bibechana-15892	20	21	of	of	ADP
bibechana-15892	20	22	alkaloids	alkaloid	NOUN
bibechana-15892	20	23	at	at	ADP
bibechana-15892	20	24	microscopic	microscopic	ADJ
bibechana-15892	20	25	level	level	NOUN
bibechana-15892	20	26	[	[	X
bibechana-15892	20	27	4	4	NUM
bibechana-15892	20	28	]	]	PUNCT
bibechana-15892	20	29	.	.	PUNCT
bibechana-15892	21	1	however	however	ADV
bibechana-15892	21	2	,	,	PUNCT
bibechana-15892	21	3	both	both	CCONJ
bibechana-15892	21	4	the	the	DET
bibechana-15892	21	5	raman	raman	NOUN
bibechana-15892	21	6	and	and	CCONJ
bibechana-15892	21	7	ir	ir	PROPN
bibechana-15892	21	8	are	be	AUX
bibechana-15892	21	9	the	the	DET
bibechana-15892	21	10	best	good	ADJ
bibechana-15892	21	11	traditional	traditional	ADJ
bibechana-15892	21	12	methods	method	NOUN
bibechana-15892	21	13	for	for	ADP
bibechana-15892	21	14	the	the	DET
bibechana-15892	21	15	vibrational	vibrational	ADJ
bibechana-15892	21	16	analysis	analysis	NOUN
bibechana-15892	21	17	and	and	CCONJ
bibechana-15892	21	18	particularly	particularly	ADV
bibechana-15892	21	19	for	for	ADP
bibechana-15892	21	20	the	the	DET
bibechana-15892	21	21	non	non	ADJ
bibechana-15892	21	22	-	-	ADJ
bibechana-15892	21	23	destructive	destructive	ADJ
bibechana-15892	21	24	characterization	characterization	NOUN
bibechana-15892	21	25	of	of	ADP
bibechana-15892	21	26	the	the	DET
bibechana-15892	21	27	substances	substance	NOUN
bibechana-15892	21	28	[	[	X
bibechana-15892	21	29	5	5	NUM
bibechana-15892	21	30	]	]	PUNCT
bibechana-15892	21	31	,	,	PUNCT
bibechana-15892	21	32	but	but	CCONJ
bibechana-15892	21	33	in	in	ADP
bibechana-15892	21	34	the	the	DET
bibechana-15892	21	35	recent	recent	ADJ
bibechana-15892	21	36	years	year	NOUN
bibechana-15892	21	37	there	there	PRON
bibechana-15892	21	38	has	have	AUX
bibechana-15892	21	39	been	be	AUX
bibechana-15892	21	40	interest	interest	NOUN
bibechana-15892	21	41	in	in	ADP
bibechana-15892	21	42	the	the	DET
bibechana-15892	21	43	application	application	NOUN
bibechana-15892	21	44	of	of	ADP
bibechana-15892	21	45	ab	ab	PROPN
bibechana-15892	21	46	initio	initio	PROPN
bibechana-15892	21	47	calculations	calculation	NOUN
bibechana-15892	21	48	to	to	ADP
bibechana-15892	21	49	the	the	DET
bibechana-15892	21	50	alkaloids	alkaloid	NOUN
bibechana-15892	21	51	as	as	SCONJ
bibechana-15892	21	52	it	it	PRON
bibechana-15892	21	53	provide	provide	VERB
bibechana-15892	21	54	the	the	DET
bibechana-15892	21	55	additional	additional	ADJ
bibechana-15892	21	56	vibrational	vibrational	ADJ
bibechana-15892	21	57	spectroscopic	spectroscopic	ADJ
bibechana-15892	21	58	data	datum	NOUN
bibechana-15892	21	59	[	[	X
bibechana-15892	21	60	3	3	NUM
bibechana-15892	21	61	-	-	SYM
bibechana-15892	21	62	6	6	NUM
bibechana-15892	21	63	]	]	PUNCT
bibechana-15892	21	64	.	.	PUNCT
bibechana-15892	22	1	in	in	ADP
bibechana-15892	22	2	the	the	DET
bibechana-15892	22	3	present	present	ADJ
bibechana-15892	22	4	work	work	NOUN
bibechana-15892	22	5	the	the	DET
bibechana-15892	22	6	chemical	chemical	NOUN
bibechana-15892	22	7	reactivity	reactivity	NOUN
bibechana-15892	22	8	descriptors	descriptor	NOUN
bibechana-15892	22	9	,	,	PUNCT
bibechana-15892	22	10	thermodynamic	thermodynamic	ADJ
bibechana-15892	22	11	properties	property	NOUN
bibechana-15892	22	12	and	and	CCONJ
bibechana-15892	22	13	the	the	DET
bibechana-15892	22	14	natural	natural	ADJ
bibechana-15892	22	15	bond	bond	NOUN
bibechana-15892	22	16	orbitals	orbital	NOUN
bibechana-15892	22	17	(	(	PUNCT
bibechana-15892	22	18	nbos	nbo	NOUN
bibechana-15892	22	19	)	)	PUNCT
bibechana-15892	22	20	analysis	analysis	NOUN
bibechana-15892	22	21	of	of	ADP
bibechana-15892	22	22	an	an	DET
bibechana-15892	22	23	alkaloid	alkaloid	ADJ
bibechana-15892	22	24	aristolochic	aristolochic	ADJ
bibechana-15892	22	25	acid	acid	PROPN
bibechana-15892	22	26	ii	ii	PROPN
bibechana-15892	22	27	have	have	AUX
bibechana-15892	22	28	been	be	AUX
bibechana-15892	22	29	communicated	communicate	VERB
bibechana-15892	22	30	.	.	PUNCT
bibechana-15892	23	1	the	the	DET
bibechana-15892	23	2	aim	aim	NOUN
bibechana-15892	23	3	of	of	ADP
bibechana-15892	23	4	this	this	DET
bibechana-15892	23	5	study	study	NOUN
bibechana-15892	23	6	was	be	AUX
bibechana-15892	23	7	to	to	PART
bibechana-15892	23	8	determine	determine	VERB
bibechana-15892	23	9	the	the	DET
bibechana-15892	23	10	stabilization	stabilization	NOUN
bibechana-15892	23	11	energy	energy	NOUN
bibechana-15892	23	12	when	when	SCONJ
bibechana-15892	23	13	the	the	DET
bibechana-15892	23	14	system	system	NOUN
bibechana-15892	23	15	acquires	acquire	VERB
bibechana-15892	23	16	an	an	DET
bibechana-15892	23	17	additional	additional	ADJ
bibechana-15892	23	18	charge	charge	NOUN
bibechana-15892	23	19	from	from	ADP
bibechana-15892	23	20	the	the	DET
bibechana-15892	23	21	environment	environment	NOUN
bibechana-15892	23	22	and	and	CCONJ
bibechana-15892	23	23	the	the	DET
bibechana-15892	23	24	direction	direction	NOUN
bibechana-15892	23	25	of	of	ADP
bibechana-15892	23	26	the	the	DET
bibechana-15892	23	27	charge	charge	NOUN
bibechana-15892	23	28	transfer	transfer	NOUN
bibechana-15892	23	29	.	.	PUNCT
bibechana-15892	24	1	similarly	similarly	ADV
bibechana-15892	24	2	,	,	PUNCT
bibechana-15892	24	3	the	the	DET
bibechana-15892	24	4	variation	variation	NOUN
bibechana-15892	24	5	of	of	ADP
bibechana-15892	24	6	the	the	DET
bibechana-15892	24	7	thermodynamic	thermodynamic	ADJ
bibechana-15892	24	8	properties	property	NOUN
bibechana-15892	24	9	with	with	ADP
bibechana-15892	24	10	the	the	DET
bibechana-15892	24	11	temperature	temperature	NOUN
bibechana-15892	24	12	and	and	CCONJ
bibechana-15892	24	13	,	,	PUNCT
bibechana-15892	24	14	hybridization	hybridization	NOUN
bibechana-15892	24	15	,	,	PUNCT
bibechana-15892	24	16	conjugation	conjugation	NOUN
bibechana-15892	24	17	and	and	CCONJ
bibechana-15892	24	18	charge	charge	NOUN
bibechana-15892	24	19	transfer	transfer	NOUN
bibechana-15892	24	20	in	in	ADP
bibechana-15892	24	21	the	the	DET
bibechana-15892	24	22	polyatomic	polyatomic	ADJ
bibechana-15892	24	23	wave	wave	NOUN
bibechana-15892	24	24	functions	function	NOUN
bibechana-15892	24	25	theoretically	theoretically	ADV
bibechana-15892	24	26	using	use	VERB
bibechana-15892	24	27	ab	ab	PROPN
bibechana-15892	24	28	initio	initio	NOUN
bibechana-15892	24	29	hf	hf	PROPN
bibechana-15892	24	30	and	and	CCONJ
bibechana-15892	24	31	density	density	NOUN
bibechana-15892	24	32	functional	functional	ADJ
bibechana-15892	24	33	theory	theory	NOUN
bibechana-15892	24	34	(	(	PUNCT
bibechana-15892	24	35	dft	dft	PROPN
bibechana-15892	24	36	)	)	PUNCT
bibechana-15892	25	1	[	[	X
bibechana-15892	25	2	7	7	NUM
bibechana-15892	25	3	]	]	PUNCT
bibechana-15892	25	4	.	.	PUNCT
bibechana-15892	26	1	we	we	PRON
bibechana-15892	26	2	had	have	AUX
bibechana-15892	26	3	presented	present	VERB
bibechana-15892	26	4	some	some	DET
bibechana-15892	26	5	spectroscopic	spectroscopic	ADJ
bibechana-15892	26	6	analysis	analysis	NOUN
bibechana-15892	26	7	on	on	ADP
bibechana-15892	26	8	the	the	DET
bibechana-15892	26	9	title	title	NOUN
bibechana-15892	26	10	molecule	molecule	NOUN
bibechana-15892	26	11	in	in	ADP
bibechana-15892	26	12	our	our	PRON
bibechana-15892	26	13	previous	previous	ADJ
bibechana-15892	26	14	work	work	NOUN
bibechana-15892	26	15	[	[	X
bibechana-15892	26	16	8	8	NUM
bibechana-15892	26	17	]	]	PUNCT
bibechana-15892	26	18	.	.	PUNCT
bibechana-15892	27	1	the	the	DET
bibechana-15892	27	2	crystal	crystal	NOUN
bibechana-15892	27	3	structure	structure	NOUN
bibechana-15892	27	4	and	and	CCONJ
bibechana-15892	27	5	optimized	optimize	VERB
bibechana-15892	27	6	structure	structure	NOUN
bibechana-15892	27	7	of	of	ADP
bibechana-15892	27	8	aa	aa	PROPN
bibechana-15892	27	9	ii	ii	PROPN
bibechana-15892	27	10	are	be	AUX
bibechana-15892	27	11	as	as	SCONJ
bibechana-15892	27	12	shown	show	VERB
bibechana-15892	27	13	in	in	ADP
bibechana-15892	27	14	the	the	DET
bibechana-15892	27	15	figure	figure	NOUN
bibechana-15892	27	16	1a	1a	PROPN
bibechana-15892	27	17	and	and	CCONJ
bibechana-15892	27	18	b.	b.	PROPN
bibechana-15892	27	19	fig	fig	PROPN
bibechana-15892	27	20	.	.	PUNCT
bibechana-15892	28	1	1(a	1(a	NUM
bibechana-15892	28	2	):	):	PUNCT
bibechana-15892	28	3	crystal	crystal	NOUN
bibechana-15892	28	4	structure	structure	NOUN
bibechana-15892	28	5	of	of	ADP
bibechana-15892	28	6	aa	aa	PROPN
bibechana-15892	28	7	ii	ii	PROPN
bibechana-15892	28	8	.	.	PUNCT
bibechana-15892	29	1	fig	fig	PROPN
bibechana-15892	29	2	.	.	PUNCT
bibechana-15892	30	1	1(b	1(b	NUM
bibechana-15892	30	2	):	):	PUNCT
bibechana-15892	30	3	optimized	optimize	VERB
bibechana-15892	30	4	structure	structure	NOUN
bibechana-15892	30	5	of	of	ADP
bibechana-15892	30	6	aa	aa	PROPN
bibechana-15892	30	7	ii	ii	PROPN
bibechana-15892	30	8	.	.	PROPN
bibechana-15892	31	1	2	2	X
bibechana-15892	31	2	.	.	X
bibechana-15892	31	3	materials	material	NOUN
bibechana-15892	31	4	and	and	CCONJ
bibechana-15892	31	5	methods	method	NOUN
bibechana-15892	31	6	2.1	2.1	NUM
bibechana-15892	31	7	computational	computational	ADJ
bibechana-15892	31	8	details	detail	NOUN
bibechana-15892	31	9	geometry	geometry	NOUN
bibechana-15892	31	10	optimization	optimization	NOUN
bibechana-15892	31	11	has	have	AUX
bibechana-15892	31	12	been	be	AUX
bibechana-15892	31	13	performed	perform	VERB
bibechana-15892	31	14	as	as	ADP
bibechana-15892	31	15	the	the	DET
bibechana-15892	31	16	first	first	ADJ
bibechana-15892	31	17	task	task	NOUN
bibechana-15892	31	18	of	of	ADP
bibechana-15892	31	19	the	the	DET
bibechana-15892	31	20	computational	computational	ADJ
bibechana-15892	31	21	work	work	NOUN
bibechana-15892	31	22	.	.	PUNCT
bibechana-15892	32	1	the	the	DET
bibechana-15892	32	2	geometric	geometric	ADJ
bibechana-15892	32	3	parameters	parameter	NOUN
bibechana-15892	32	4	available	available	ADJ
bibechana-15892	32	5	from	from	ADP
bibechana-15892	32	6	the	the	DET
bibechana-15892	32	7	pubchem	pubchem	NOUN
bibechana-15892	32	8	data	datum	NOUN
bibechana-15892	32	9	base	base	NOUN
bibechana-15892	32	10	[	[	X
bibechana-15892	32	11	9	9	NUM
bibechana-15892	32	12	]	]	PUNCT
bibechana-15892	32	13	have	have	AUX
bibechana-15892	32	14	been	be	AUX
bibechana-15892	32	15	used	use	VERB
bibechana-15892	32	16	as	as	ADP
bibechana-15892	32	17	the	the	DET
bibechana-15892	32	18	basis	basis	NOUN
bibechana-15892	32	19	for	for	ADP
bibechana-15892	32	20	the	the	DET
bibechana-15892	32	21	optimization	optimization	NOUN
bibechana-15892	32	22	.	.	PUNCT
bibechana-15892	33	1	these	these	DET
bibechana-15892	33	2	optimized	optimize	VERB
bibechana-15892	33	3	parameters	parameter	NOUN
bibechana-15892	33	4	were	be	AUX
bibechana-15892	33	5	computed	compute	VERB
bibechana-15892	33	6	by	by	ADP
bibechana-15892	33	7	ab	ab	PROPN
bibechana-15892	33	8	intio	intio	PROPN
bibechana-15892	33	9	hf	hf	PROPN
bibechana-15892	33	10	and	and	CCONJ
bibechana-15892	33	11	the	the	DET
bibechana-15892	33	12	dft	dft	NOUN
bibechana-15892	33	13	using	use	VERB
bibechana-15892	33	14	gaussian	gaussian	NOUN
bibechana-15892	33	15	09	09	NUM
bibechana-15892	34	1	[	[	SYM
bibechana-15892	34	2	10	10	NUM
bibechana-15892	34	3	]	]	PUNCT
bibechana-15892	34	4	program	program	NOUN
bibechana-15892	34	5	package	package	NOUN
bibechana-15892	34	6	employing	employ	VERB
bibechana-15892	34	7	b3lyp/6	b3lyp/6	PROPN
bibechana-15892	34	8	-	-	X
bibechana-15892	34	9	311	311	NUM
bibechana-15892	34	10	g	g	NOUN
bibechana-15892	34	11	(	(	PUNCT
bibechana-15892	34	12	d	d	PROPN
bibechana-15892	34	13	,	,	PUNCT
bibechana-15892	34	14	p	p	NOUN
bibechana-15892	34	15	)	)	PUNCT
bibechana-15892	34	16	basis	basis	NOUN
bibechana-15892	34	17	set	set	NOUN
bibechana-15892	34	18	.	.	PUNCT
bibechana-15892	35	1	the	the	DET
bibechana-15892	35	2	dft	dft	PROPN
bibechana-15892	35	3	calculations	calculation	NOUN
bibechana-15892	35	4	were	be	AUX
bibechana-15892	35	5	mainly	mainly	ADV
bibechana-15892	35	6	carried	carry	VERB
bibechana-15892	35	7	out	out	ADP
bibechana-15892	35	8	in	in	ADP
bibechana-15892	35	9	the	the	DET
bibechana-15892	35	10	bhawani	bhawani	ADJ
bibechana-15892	35	11	dutt	dutt	PROPN
bibechana-15892	35	12	joshi	joshi	PROPN
bibechana-15892	35	13	/	/	SYM
bibechana-15892	35	14	bibechana	bibechana	PROPN
bibechana-15892	35	15	14	14	NUM
bibechana-15892	35	16	(	(	PUNCT
bibechana-15892	35	17	2017	2017	NUM
bibechana-15892	35	18	)	)	PUNCT
bibechana-15892	35	19	86	86	NUM
bibechana-15892	35	20	-	-	SYM
bibechana-15892	35	21	97	97	NUM
bibechana-15892	35	22	:	:	PUNCT
bibechana-15892	35	23	rcost	rcost	NOUN
bibechana-15892	35	24	p.88	p.88	NOUN
bibechana-15892	35	25	(	(	PUNCT
bibechana-15892	35	26	online	online	ADJ
bibechana-15892	35	27	publication	publication	NOUN
bibechana-15892	35	28	:	:	PUNCT
bibechana-15892	36	1	dec	dec	PROPN
bibechana-15892	36	2	.	.	PROPN
bibechana-15892	36	3	,	,	PUNCT
bibechana-15892	36	4	2016	2016	NUM
bibechana-15892	36	5	)	)	PUNCT
bibechana-15892	36	6	frame	frame	NOUN
bibechana-15892	36	7	-	-	PUNCT
bibechana-15892	36	8	work	work	NOUN
bibechana-15892	36	9	of	of	ADP
bibechana-15892	36	10	the	the	DET
bibechana-15892	36	11	becke	becke	NOUN
bibechana-15892	36	12	–	–	PUNCT
bibechana-15892	36	13	lee	lee	PROPN
bibechana-15892	36	14	-	-	PUNCT
bibechana-15892	36	15	yang	yang	PROPN
bibechana-15892	36	16	-	-	PUNCT
bibechana-15892	36	17	parr	parr	PROPN
bibechana-15892	36	18	[	[	X
bibechana-15892	36	19	b3lyp	b3lyp	X
bibechana-15892	36	20	]	]	X
bibechana-15892	36	21	functional	functional	ADJ
bibechana-15892	36	22	,	,	PUNCT
bibechana-15892	36	23	in	in	ADP
bibechana-15892	36	24	which	which	PRON
bibechana-15892	36	25	the	the	DET
bibechana-15892	36	26	exchange	exchange	NOUN
bibechana-15892	36	27	functional	functional	ADJ
bibechana-15892	36	28	is	be	AUX
bibechana-15892	36	29	a	a	DET
bibechana-15892	36	30	local	local	ADJ
bibechana-15892	36	31	spin	spin	NOUN
bibechana-15892	36	32	density	density	NOUN
bibechana-15892	36	33	exchange	exchange	NOUN
bibechana-15892	36	34	with	with	ADP
bibechana-15892	36	35	becke	becke	PROPN
bibechana-15892	36	36	gradient	gradient	PROPN
bibechana-15892	36	37	correction	correction	NOUN
bibechana-15892	36	38	[	[	X
bibechana-15892	36	39	11	11	NUM
bibechana-15892	36	40	]	]	PUNCT
bibechana-15892	36	41	and	and	CCONJ
bibechana-15892	36	42	the	the	DET
bibechana-15892	36	43	correlation	correlation	NOUN
bibechana-15892	36	44	functional	functional	ADJ
bibechana-15892	36	45	is	be	AUX
bibechana-15892	36	46	that	that	PRON
bibechana-15892	36	47	of	of	ADP
bibechana-15892	36	48	lee	lee	PROPN
bibechana-15892	36	49	,	,	PUNCT
bibechana-15892	36	50	yang	yang	PROPN
bibechana-15892	36	51	and	and	CCONJ
bibechana-15892	36	52	parr	parr	VERB
bibechana-15892	36	53	with	with	ADP
bibechana-15892	36	54	both	both	CCONJ
bibechana-15892	36	55	local	local	ADJ
bibechana-15892	36	56	and	and	CCONJ
bibechana-15892	36	57	nonlocal	nonlocal	ADJ
bibechana-15892	36	58	terms	term	NOUN
bibechana-15892	36	59	[	[	X
bibechana-15892	36	60	12,13	12,13	NUM
bibechana-15892	36	61	]	]	PUNCT
bibechana-15892	36	62	.	.	PUNCT
bibechana-15892	37	1	3	3	X
bibechana-15892	37	2	.	.	NOUN
bibechana-15892	37	3	results	result	NOUN
bibechana-15892	37	4	and	and	CCONJ
bibechana-15892	37	5	discussion	discussion	NOUN
bibechana-15892	37	6	3.1	3.1	NUM
bibechana-15892	37	7	natural	natural	ADJ
bibechana-15892	37	8	bond	bond	NOUN
bibechana-15892	37	9	orbital	orbital	NOUN
bibechana-15892	37	10	(	(	PUNCT
bibechana-15892	37	11	nbo	nbo	NOUN
bibechana-15892	37	12	)	)	PUNCT
bibechana-15892	37	13	analysis	analysis	NOUN
bibechana-15892	37	14	nbo	nbo	NOUN
bibechana-15892	37	15	analysis	analysis	NOUN
bibechana-15892	37	16	is	be	AUX
bibechana-15892	37	17	one	one	NUM
bibechana-15892	37	18	of	of	ADP
bibechana-15892	37	19	the	the	DET
bibechana-15892	37	20	efficient	efficient	ADJ
bibechana-15892	37	21	methods	method	NOUN
bibechana-15892	37	22	for	for	ADP
bibechana-15892	37	23	studying	study	VERB
bibechana-15892	37	24	hybridization	hybridization	NOUN
bibechana-15892	37	25	,	,	PUNCT
bibechana-15892	37	26	conjugative	conjugative	ADJ
bibechana-15892	37	27	interactions	interaction	NOUN
bibechana-15892	37	28	,	,	PUNCT
bibechana-15892	37	29	covalence	covalence	NOUN
bibechana-15892	37	30	effects	effect	NOUN
bibechana-15892	37	31	and	and	CCONJ
bibechana-15892	37	32	charge	charge	NOUN
bibechana-15892	37	33	transfer	transfer	NOUN
bibechana-15892	37	34	in	in	ADP
bibechana-15892	37	35	polyatomic	polyatomic	ADJ
bibechana-15892	37	36	wave	wave	NOUN
bibechana-15892	37	37	functions	function	NOUN
bibechana-15892	37	38	[	[	X
bibechana-15892	37	39	4	4	NUM
bibechana-15892	37	40	]	]	PUNCT
bibechana-15892	37	41	.	.	PUNCT
bibechana-15892	38	1	in	in	ADP
bibechana-15892	38	2	the	the	DET
bibechana-15892	38	3	present	present	ADJ
bibechana-15892	38	4	work	work	NOUN
bibechana-15892	38	5	,	,	PUNCT
bibechana-15892	38	6	utilizing	utilize	VERB
bibechana-15892	38	7	the	the	DET
bibechana-15892	38	8	second	second	ADJ
bibechana-15892	38	9	-	-	PUNCT
bibechana-15892	38	10	order	order	NOUN
bibechana-15892	38	11	micro	micro	NOUN
bibechana-15892	38	12	-	-	NOUN
bibechana-15892	38	13	disturbance	disturbance	ADJ
bibechana-15892	38	14	theory	theory	NOUN
bibechana-15892	38	15	analysis	analysis	NOUN
bibechana-15892	38	16	,	,	PUNCT
bibechana-15892	38	17	we	we	PRON
bibechana-15892	38	18	have	have	AUX
bibechana-15892	38	19	reported	report	VERB
bibechana-15892	38	20	some	some	PRON
bibechana-15892	38	21	of	of	ADP
bibechana-15892	38	22	the	the	DET
bibechana-15892	38	23	electron	electron	NOUN
bibechana-15892	38	24	donor	donor	NOUN
bibechana-15892	38	25	orbital	orbital	NOUN
bibechana-15892	38	26	,	,	PUNCT
bibechana-15892	38	27	acceptor	acceptor	NOUN
bibechana-15892	38	28	orbital	orbital	NOUN
bibechana-15892	38	29	and	and	CCONJ
bibechana-15892	38	30	the	the	DET
bibechana-15892	38	31	interacting	interact	VERB
bibechana-15892	38	32	stabilization	stabilization	NOUN
bibechana-15892	38	33	energy	energy	NOUN
bibechana-15892	38	34	.	.	PUNCT
bibechana-15892	39	1	higher	high	ADJ
bibechana-15892	39	2	the	the	DET
bibechana-15892	39	3	value	value	NOUN
bibechana-15892	39	4	of	of	ADP
bibechana-15892	39	5	stabilization	stabilization	NOUN
bibechana-15892	39	6	energy	energy	NOUN
bibechana-15892	39	7	e(2	e(2	NOUN
bibechana-15892	39	8	)	)	PUNCT
bibechana-15892	39	9	more	more	ADJ
bibechana-15892	39	10	is	be	AUX
bibechana-15892	39	11	the	the	DET
bibechana-15892	39	12	intensity	intensity	NOUN
bibechana-15892	39	13	of	of	ADP
bibechana-15892	39	14	the	the	DET
bibechana-15892	39	15	interaction	interaction	NOUN
bibechana-15892	39	16	between	between	ADP
bibechana-15892	39	17	electron	electron	NOUN
bibechana-15892	39	18	donors	donor	NOUN
bibechana-15892	39	19	and	and	CCONJ
bibechana-15892	39	20	electron	electron	NOUN
bibechana-15892	39	21	acceptors	acceptor	NOUN
bibechana-15892	39	22	,	,	PUNCT
bibechana-15892	39	23	i.e.	i.e.	X
bibechana-15892	39	24	the	the	DET
bibechana-15892	39	25	more	more	ADV
bibechana-15892	39	26	donating	donating	NOUN
bibechana-15892	39	27	tendency	tendency	NOUN
bibechana-15892	39	28	from	from	ADP
bibechana-15892	39	29	electron	electron	NOUN
bibechana-15892	39	30	donors	donor	NOUN
bibechana-15892	39	31	to	to	PART
bibechana-15892	39	32	electron	electron	VERB
bibechana-15892	39	33	acceptors	acceptor	NOUN
bibechana-15892	39	34	.	.	PUNCT
bibechana-15892	40	1	the	the	DET
bibechana-15892	40	2	hyperconjugative	hyperconjugative	ADJ
bibechana-15892	40	3	interaction	interaction	NOUN
bibechana-15892	40	4	energy	energy	NOUN
bibechana-15892	40	5	was	be	AUX
bibechana-15892	40	6	deduced	deduce	VERB
bibechana-15892	40	7	from	from	ADP
bibechana-15892	40	8	the	the	DET
bibechana-15892	40	9	second	second	ADJ
bibechana-15892	40	10	-	-	PUNCT
bibechana-15892	40	11	order	order	NOUN
bibechana-15892	40	12	perturbation	perturbation	NOUN
bibechana-15892	40	13	approach	approach	NOUN
bibechana-15892	40	14	[	[	X
bibechana-15892	40	15	14	14	NUM
bibechana-15892	40	16	-	-	SYM
bibechana-15892	40	17	16	16	NUM
bibechana-15892	40	18	]	]	PUNCT
bibechana-15892	40	19	.	.	PUNCT
bibechana-15892	40	20	𝐸(2	𝐸(2	PUNCT
bibechana-15892	40	21	)	)	PUNCT
bibechana-15892	41	1	=	=	SYM
bibechana-15892	41	2	−	−	PROPN
bibechana-15892	41	3	𝑛𝜎⟨𝜎|𝐹|𝜎⟩	𝑛𝜎⟨𝜎|𝐹|𝜎⟩	SYM
bibechana-15892	41	4	2	2	NUM
bibechana-15892	41	5	𝐸𝜎∗−𝐸𝜎	𝐸𝜎∗−𝐸𝜎	NOUN
bibechana-15892	41	6	=	=	SYM
bibechana-15892	41	7	−𝑛𝜎	−𝑛𝜎	NOUN
bibechana-15892	42	1	|	|	ADV
bibechana-15892	42	2	𝐹𝑖𝑗	𝐹𝑖𝑗	NUM
bibechana-15892	42	3	2	2	NUM
bibechana-15892	42	4	∆𝐸	∆𝐸	NOUN
bibechana-15892	42	5	|	|	ADV
bibechana-15892	42	6	where	where	SCONJ
bibechana-15892	42	7	⟨𝜎|𝐹|𝜎⟩2	⟨𝜎|𝐹|𝜎⟩2	ADV
bibechana-15892	42	8	,	,	PUNCT
bibechana-15892	42	9	or	or	CCONJ
bibechana-15892	42	10	𝐹𝑖𝑗	𝐹𝑖𝑗	NUM
bibechana-15892	42	11	2	2	NUM
bibechana-15892	42	12	is	be	AUX
bibechana-15892	42	13	the	the	DET
bibechana-15892	42	14	fock	fock	ADJ
bibechana-15892	42	15	matrix	matrix	NOUN
bibechana-15892	42	16	element	element	NOUN
bibechana-15892	42	17	between	between	ADP
bibechana-15892	42	18	i	i	PROPN
bibechana-15892	42	19	and	and	CCONJ
bibechana-15892	42	20	j	j	PROPN
bibechana-15892	42	21	nbo	nbo	PROPN
bibechana-15892	42	22	orbital	orbital	NOUN
bibechana-15892	42	23	,	,	PUNCT
bibechana-15892	43	1	𝐸𝜎	𝐸𝜎	ADV
bibechana-15892	43	2	and	and	CCONJ
bibechana-15892	43	3	𝐸𝜎∗	𝐸𝜎∗	NOUN
bibechana-15892	43	4	are	be	AUX
bibechana-15892	43	5	the	the	DET
bibechana-15892	43	6	energies	energy	NOUN
bibechana-15892	43	7	of	of	ADP
bibechana-15892	43	8	𝜎	𝜎	PROPN
bibechana-15892	43	9	and	and	CCONJ
bibechana-15892	43	10	𝜎	𝜎	PROPN
bibechana-15892	43	11	*	*	X
bibechana-15892	43	12	nbo	nbo	PROPN
bibechana-15892	43	13	’s	’s	NOUN
bibechana-15892	43	14	,	,	PUNCT
bibechana-15892	43	15	and	and	CCONJ
bibechana-15892	43	16	𝑛𝜎	𝑛𝜎	PROPN
bibechana-15892	43	17	is	be	AUX
bibechana-15892	43	18	the	the	DET
bibechana-15892	43	19	population	population	NOUN
bibechana-15892	43	20	of	of	ADP
bibechana-15892	43	21	the	the	DET
bibechana-15892	43	22	donor	donor	NOUN
bibechana-15892	43	23	orbital	orbital	NOUN
bibechana-15892	43	24	.	.	PUNCT
bibechana-15892	44	1	the	the	PRON
bibechana-15892	44	2	larger	large	ADJ
bibechana-15892	44	3	the	the	DET
bibechana-15892	44	4	e(2	e(2	NOUN
bibechana-15892	44	5	)	)	PUNCT
bibechana-15892	44	6	value	value	NOUN
bibechana-15892	44	7	the	the	DET
bibechana-15892	44	8	more	more	ADV
bibechana-15892	44	9	intensive	intensive	ADJ
bibechana-15892	44	10	is	be	AUX
bibechana-15892	44	11	interaction	interaction	NOUN
bibechana-15892	44	12	,	,	PUNCT
bibechana-15892	44	13	the	the	PRON
bibechana-15892	44	14	greater	great	ADJ
bibechana-15892	44	15	the	the	DET
bibechana-15892	44	16	extent	extent	NOUN
bibechana-15892	44	17	of	of	ADP
bibechana-15892	44	18	conjugation	conjugation	NOUN
bibechana-15892	44	19	of	of	ADP
bibechana-15892	44	20	the	the	DET
bibechana-15892	44	21	whole	whole	ADJ
bibechana-15892	44	22	system	system	NOUN
bibechana-15892	44	23	[	[	X
bibechana-15892	44	24	16	16	NUM
bibechana-15892	44	25	]	]	PUNCT
bibechana-15892	44	26	.	.	PUNCT
bibechana-15892	45	1	hyperconjugation	hyperconjugation	NOUN
bibechana-15892	45	2	may	may	AUX
bibechana-15892	45	3	be	be	AUX
bibechana-15892	45	4	given	give	VERB
bibechana-15892	45	5	as	as	ADP
bibechana-15892	45	6	a	a	DET
bibechana-15892	45	7	stabilizing	stabilizing	NOUN
bibechana-15892	45	8	effect	effect	NOUN
bibechana-15892	45	9	that	that	PRON
bibechana-15892	45	10	arises	arise	VERB
bibechana-15892	45	11	from	from	ADP
bibechana-15892	45	12	overlap	overlap	NOUN
bibechana-15892	45	13	between	between	ADP
bibechana-15892	45	14	an	an	DET
bibechana-15892	45	15	occupied	occupy	VERB
bibechana-15892	45	16	orbital	orbital	NOUN
bibechana-15892	45	17	with	with	ADP
bibechana-15892	45	18	another	another	DET
bibechana-15892	45	19	neighboring	neighboring	NOUN
bibechana-15892	45	20	electron	electron	NOUN
bibechana-15892	45	21	deficient	deficient	ADJ
bibechana-15892	45	22	orbital	orbital	NOUN
bibechana-15892	45	23	when	when	SCONJ
bibechana-15892	45	24	these	these	DET
bibechana-15892	45	25	orbitals	orbital	NOUN
bibechana-15892	45	26	are	be	AUX
bibechana-15892	45	27	properly	properly	ADV
bibechana-15892	45	28	oriented	orient	VERB
bibechana-15892	45	29	.	.	PUNCT
bibechana-15892	46	1	the	the	DET
bibechana-15892	46	2	most	most	ADV
bibechana-15892	46	3	important	important	ADJ
bibechana-15892	46	4	interaction	interaction	NOUN
bibechana-15892	46	5	between	between	ADP
bibechana-15892	46	6	‘	'	PUNCT
bibechana-15892	46	7	‘	'	PUNCT
bibechana-15892	46	8	filled	fill	VERB
bibechana-15892	46	9	’’	’'	PUNCT
bibechana-15892	46	10	(	(	PUNCT
bibechana-15892	46	11	donor	donor	NOUN
bibechana-15892	46	12	)	)	PUNCT
bibechana-15892	46	13	lewis	lewis	PROPN
bibechana-15892	46	14	type	type	NOUN
bibechana-15892	46	15	nbos	nbo	NOUN
bibechana-15892	46	16	and	and	CCONJ
bibechana-15892	46	17	‘	'	PUNCT
bibechana-15892	46	18	‘	'	PUNCT
bibechana-15892	46	19	empty	empty	ADJ
bibechana-15892	46	20	’’	’'	PUNCT
bibechana-15892	46	21	(	(	PUNCT
bibechana-15892	46	22	acceptor	acceptor	NOUN
bibechana-15892	46	23	)	)	PUNCT
bibechana-15892	46	24	nonlewis	nonlewis	NOUN
bibechana-15892	46	25	nbos	nbo	NOUN
bibechana-15892	46	26	are	be	AUX
bibechana-15892	46	27	reported	report	VERB
bibechana-15892	46	28	in	in	ADP
bibechana-15892	46	29	table	table	NOUN
bibechana-15892	46	30	1	1	NUM
bibechana-15892	46	31	.	.	PUNCT
bibechana-15892	47	1	there	there	PRON
bibechana-15892	47	2	occurs	occur	VERB
bibechana-15892	47	3	a	a	DET
bibechana-15892	47	4	strong	strong	ADJ
bibechana-15892	47	5	intramolecular	intramolecular	ADJ
bibechana-15892	47	6	hyperconjugative	hyperconjugative	ADJ
bibechana-15892	47	7	interactions	interaction	NOUN
bibechana-15892	47	8	of	of	ADP
bibechana-15892	47	9	𝜋	𝜋	NOUN
bibechana-15892	47	10	electrons	electron	NOUN
bibechana-15892	47	11	of	of	ADP
bibechana-15892	47	12	the	the	DET
bibechana-15892	47	13	rings	ring	NOUN
bibechana-15892	47	14	r2	r2	PROPN
bibechana-15892	47	15	and	and	CCONJ
bibechana-15892	47	16	r3	r3	PROPN
bibechana-15892	47	17	from	from	ADP
bibechana-15892	47	18	c11	c11	NOUN
bibechana-15892	47	19	c15	c15	NOUN
bibechana-15892	47	20	,	,	PUNCT
bibechana-15892	47	21	c13	c13	PROPN
bibechana-15892	47	22	c17	c17	PROPN
bibechana-15892	47	23	,	,	PUNCT
bibechana-15892	47	24	c10	c10	PROPN
bibechana-15892	47	25	c12	c12	PROPN
bibechana-15892	47	26	and	and	CCONJ
bibechana-15892	47	27	c14	c14	PROPN
bibechana-15892	47	28	c16	c16	PROPN
bibechana-15892	47	29	to	to	ADP
bibechana-15892	47	30	the	the	DET
bibechana-15892	47	31	𝜋*(c8	𝜋*(c8	PROPN
bibechana-15892	47	32	c9	c9	NOUN
bibechana-15892	47	33	)	)	PUNCT
bibechana-15892	47	34	bond	bond	NOUN
bibechana-15892	47	35	of	of	ADP
bibechana-15892	47	36	which	which	PRON
bibechana-15892	47	37	increases	increase	VERB
bibechana-15892	47	38	the	the	DET
bibechana-15892	47	39	electron	electron	NOUN
bibechana-15892	47	40	density	density	NOUN
bibechana-15892	47	41	0.474e	0.474e	NOUN
bibechana-15892	47	42	leading	lead	VERB
bibechana-15892	47	43	to	to	ADP
bibechana-15892	47	44	the	the	DET
bibechana-15892	47	45	stabilization	stabilization	NOUN
bibechana-15892	47	46	.	.	PUNCT
bibechana-15892	48	1	this	this	PRON
bibechana-15892	48	2	enhanced	enhance	VERB
bibechana-15892	48	3	the	the	DET
bibechana-15892	48	4	further	further	ADJ
bibechana-15892	48	5	conjugation	conjugation	NOUN
bibechana-15892	48	6	of	of	ADP
bibechana-15892	48	7	the	the	DET
bibechana-15892	48	8	𝜋*(c8	𝜋*(c8	PROPN
bibechana-15892	48	9	c9	c9	PROPN
bibechana-15892	48	10	)	)	PUNCT
bibechana-15892	48	11	nbo	nbo	PROPN
bibechana-15892	48	12	mainly	mainly	ADV
bibechana-15892	48	13	with	with	ADP
bibechana-15892	48	14	𝜋*(c10	𝜋*(c10	PROPN
bibechana-15892	48	15	–	–	PUNCT
bibechana-15892	48	16	c12	c12	PROPN
bibechana-15892	48	17	)	)	PUNCT
bibechana-15892	48	18	and	and	CCONJ
bibechana-15892	48	19	𝜋*(c14	𝜋*(c14	PROPN
bibechana-15892	48	20	–	–	PUNCT
bibechana-15892	48	21	c16	c16	PROPN
bibechana-15892	48	22	)	)	PUNCT
bibechana-15892	48	23	resulting	result	VERB
bibechana-15892	48	24	to	to	ADP
bibechana-15892	48	25	the	the	DET
bibechana-15892	48	26	high	high	ADJ
bibechana-15892	48	27	stabilization	stabilization	NOUN
bibechana-15892	48	28	of	of	ADP
bibechana-15892	48	29	236.16	236.16	NUM
bibechana-15892	48	30	and	and	CCONJ
bibechana-15892	48	31	134.76	134.76	NUM
bibechana-15892	48	32	kcal	kcal	NOUN
bibechana-15892	48	33	/	/	SYM
bibechana-15892	48	34	mol	mol	PROPN
bibechana-15892	48	35	,	,	PUNCT
bibechana-15892	48	36	respectively	respectively	ADV
bibechana-15892	48	37	.	.	PUNCT
bibechana-15892	49	1	also	also	ADV
bibechana-15892	49	2	,	,	PUNCT
bibechana-15892	49	3	there	there	PRON
bibechana-15892	49	4	occur	occur	VERB
bibechana-15892	49	5	some	some	DET
bibechana-15892	49	6	another	another	DET
bibechana-15892	49	7	hypercinjugative	hypercinjugative	ADJ
bibechana-15892	49	8	interactions	interaction	NOUN
bibechana-15892	49	9	of	of	ADP
bibechana-15892	49	10	𝜋	𝜋	NOUN
bibechana-15892	49	11	electrons	electron	NOUN
bibechana-15892	49	12	from	from	ADP
bibechana-15892	49	13	c13	c13	PROPN
bibechana-15892	49	14	–	–	PUNCT
bibechana-15892	49	15	c17	c17	NOUN
bibechana-15892	49	16	→	→	SYM
bibechana-15892	49	17	𝜋*(c11	𝜋*(c11	PROPN
bibechana-15892	49	18	–	–	PUNCT
bibechana-15892	49	19	c15	c15	NOUN
bibechana-15892	49	20	)	)	PUNCT
bibechana-15892	49	21	with	with	ADP
bibechana-15892	49	22	ed	ed	PROPN
bibechana-15892	49	23	0.40135e	0.40135e	PROPN
bibechana-15892	49	24	,	,	PUNCT
bibechana-15892	49	25	c14	c14	NOUN
bibechana-15892	49	26	–	–	PUNCT
bibechana-15892	49	27	c16	c16	PROPN
bibechana-15892	49	28	→	→	SYM
bibechana-15892	49	29	𝜋*(o5	𝜋*(o5	PROPN
bibechana-15892	49	30	–	–	PUNCT
bibechana-15892	49	31	n7	n7	PROPN
bibechana-15892	49	32	)	)	PUNCT
bibechana-15892	49	33	with	with	ADP
bibechana-15892	49	34	ed	ed	NOUN
bibechana-15892	49	35	0.60349e	0.60349e	PROPN
bibechana-15892	49	36	,	,	PUNCT
bibechana-15892	49	37	c18	c18	NOUN
bibechana-15892	49	38	–	–	PUNCT
bibechana-15892	49	39	c21	c21	PROPN
bibechana-15892	49	40	→	→	SYM
bibechana-15892	49	41	𝜋*(c10	𝜋*(c10	PROPN
bibechana-15892	49	42	–	–	PUNCT
bibechana-15892	49	43	c12	c12	PROPN
bibechana-15892	49	44	)	)	PUNCT
bibechana-15892	49	45	with	with	ADP
bibechana-15892	49	46	ed	ed	PROPN
bibechana-15892	49	47	0.44633e	0.44633e	PROPN
bibechana-15892	49	48	and	and	CCONJ
bibechana-15892	49	49	c20	c20	NOUN
bibechana-15892	49	50	–	–	PUNCT
bibechana-15892	49	51	c22	c22	NOUN
bibechana-15892	49	52	→	→	PUNCT
bibechana-15892	49	53	𝜋*(c18	𝜋*(c18	PROPN
bibechana-15892	49	54	–	–	PUNCT
bibechana-15892	49	55	c21	c21	NOUN
bibechana-15892	49	56	)	)	PUNCT
bibechana-15892	49	57	with	with	ADP
bibechana-15892	49	58	ed	ed	NOUN
bibechana-15892	49	59	0.27488e	0.27488e	ADJ
bibechana-15892	49	60	leading	lead	VERB
bibechana-15892	49	61	to	to	ADP
bibechana-15892	49	62	the	the	DET
bibechana-15892	49	63	stabilization	stabilization	NOUN
bibechana-15892	49	64	energies	energy	NOUN
bibechana-15892	49	65	21.06	21.06	NUM
bibechana-15892	49	66	,	,	PUNCT
bibechana-15892	49	67	16.48	16.48	NUM
bibechana-15892	49	68	,	,	PUNCT
bibechana-15892	49	69	18.62	18.62	NUM
bibechana-15892	49	70	and	and	CCONJ
bibechana-15892	49	71	18.77	18.77	NUM
bibechana-15892	49	72	kcal	kcal	NOUN
bibechana-15892	49	73	/	/	SYM
bibechana-15892	49	74	mol	mol	PROPN
bibechana-15892	49	75	,	,	PUNCT
bibechana-15892	49	76	respectively	respectively	ADV
bibechana-15892	49	77	.	.	PUNCT
bibechana-15892	50	1	similarly	similarly	ADV
bibechana-15892	50	2	,	,	PUNCT
bibechana-15892	50	3	the	the	DET
bibechana-15892	50	4	enhanced	enhanced	ADJ
bibechana-15892	50	5	nbos	nbos	ADJ
bibechana-15892	50	6	𝜋*(c11	𝜋*(c11	PROPN
bibechana-15892	50	7	–	–	PUNCT
bibechana-15892	50	8	c15	c15	NOUN
bibechana-15892	50	9	)	)	PUNCT
bibechana-15892	50	10	conjugate	conjugate	VERB
bibechana-15892	50	11	with	with	ADP
bibechana-15892	50	12	𝜋*(c13	𝜋*(c13	PROPN
bibechana-15892	50	13	–	–	PUNCT
bibechana-15892	50	14	c17	c17	NOUN
bibechana-15892	50	15	)	)	PUNCT
bibechana-15892	50	16	in	in	ADP
bibechana-15892	50	17	ring	ring	NOUN
bibechana-15892	50	18	r2	r2	PROPN
bibechana-15892	50	19	which	which	PRON
bibechana-15892	50	20	further	far	ADV
bibechana-15892	50	21	conjugates	conjugate	NOUN
bibechana-15892	50	22	with	with	ADP
bibechana-15892	50	23	𝜋*(o4	𝜋*(o4	PROPN
bibechana-15892	50	24	–	–	PUNCT
bibechana-15892	50	25	c23	c23	PROPN
bibechana-15892	50	26	)	)	PUNCT
bibechana-15892	50	27	of	of	ADP
bibechana-15892	50	28	the	the	DET
bibechana-15892	50	29	carboxyl	carboxyl	NOUN
bibechana-15892	50	30	group	group	NOUN
bibechana-15892	50	31	leading	lead	VERB
bibechana-15892	50	32	to	to	ADP
bibechana-15892	50	33	the	the	DET
bibechana-15892	50	34	corresponding	correspond	VERB
bibechana-15892	50	35	stabilization	stabilization	NOUN
bibechana-15892	50	36	energies	energy	NOUN
bibechana-15892	50	37	276.35	276.35	NUM
bibechana-15892	50	38	and	and	CCONJ
bibechana-15892	50	39	112.33	112.33	NUM
bibechana-15892	50	40	kcal	kcal	NOUN
bibechana-15892	50	41	/	/	SYM
bibechana-15892	50	42	mol	mol	PROPN
bibechana-15892	50	43	,	,	PUNCT
bibechana-15892	50	44	respectively	respectively	ADV
bibechana-15892	50	45	.	.	PUNCT
bibechana-15892	51	1	the	the	DET
bibechana-15892	51	2	electron	electron	NOUN
bibechana-15892	51	3	donation	donation	NOUN
bibechana-15892	51	4	related	relate	VERB
bibechana-15892	51	5	to	to	ADP
bibechana-15892	51	6	the	the	DET
bibechana-15892	51	7	resonance	resonance	NOUN
bibechana-15892	51	8	in	in	ADP
bibechana-15892	51	9	the	the	DET
bibechana-15892	51	10	molecule	molecule	NOUN
bibechana-15892	51	11	is	be	AUX
bibechana-15892	51	12	from	from	ADP
bibechana-15892	51	13	lp(2	lp(2	NOUN
bibechana-15892	51	14	)	)	PUNCT
bibechana-15892	51	15	o3	o3	PROPN
bibechana-15892	51	16	to	to	ADP
bibechana-15892	51	17	antibonding	antibonde	VERB
bibechana-15892	51	18	acceptor	acceptor	NOUN
bibechana-15892	51	19	𝜋*(o4	𝜋*(o4	PROPN
bibechana-15892	51	20	–	–	PUNCT
bibechana-15892	51	21	c23	c23	PROPN
bibechana-15892	51	22	)	)	PUNCT
bibechana-15892	51	23	of	of	ADP
bibechana-15892	51	24	carboxyl	carboxyl	NOUN
bibechana-15892	51	25	group	group	NOUN
bibechana-15892	51	26	(	(	PUNCT
bibechana-15892	51	27	41.00	41.00	NUM
bibechana-15892	51	28	kcal	kcal	NOUN
bibechana-15892	51	29	/	/	SYM
bibechana-15892	51	30	mol	mol	NOUN
bibechana-15892	51	31	)	)	PUNCT
bibechana-15892	51	32	and	and	CCONJ
bibechana-15892	51	33	from	from	ADP
bibechana-15892	51	34	lp(2	lp(2	NOUN
bibechana-15892	51	35	)	)	PUNCT
bibechana-15892	51	36	o6	o6	NOUN
bibechana-15892	51	37	to	to	ADP
bibechana-15892	51	38	𝜋*(o5	𝜋*(o5	PROPN
bibechana-15892	51	39	–	–	PUNCT
bibechana-15892	51	40	n7	n7	PROPN
bibechana-15892	51	41	)	)	PUNCT
bibechana-15892	51	42	of	of	ADP
bibechana-15892	51	43	no2	no2	PROPN
bibechana-15892	51	44	group	group	NOUN
bibechana-15892	51	45	(	(	PUNCT
bibechana-15892	51	46	168.74	168.74	NUM
bibechana-15892	51	47	kcal	kcal	NOUN
bibechana-15892	51	48	/	/	SYM
bibechana-15892	51	49	mol	mol	NOUN
bibechana-15892	51	50	)	)	PUNCT
bibechana-15892	51	51	.	.	PUNCT
bibechana-15892	52	1	the	the	DET
bibechana-15892	52	2	interactions	interaction	NOUN
bibechana-15892	52	3	are	be	AUX
bibechana-15892	52	4	mainly	mainly	ADV
bibechana-15892	52	5	confined	confine	VERB
bibechana-15892	52	6	between	between	ADP
bibechana-15892	52	7	the	the	DET
bibechana-15892	52	8	rings	ring	NOUN
bibechana-15892	52	9	and	and	CCONJ
bibechana-15892	52	10	the	the	DET
bibechana-15892	52	11	lone	lone	ADJ
bibechana-15892	52	12	pair	pair	NOUN
bibechana-15892	52	13	electron	electron	NOUN
bibechana-15892	52	14	groups	group	NOUN
bibechana-15892	52	15	.	.	PUNCT
bibechana-15892	53	1	these	these	DET
bibechana-15892	53	2	charge	charge	NOUN
bibechana-15892	53	3	transfer	transfer	NOUN
bibechana-15892	53	4	in	in	ADP
bibechana-15892	53	5	the	the	DET
bibechana-15892	53	6	system	system	NOUN
bibechana-15892	53	7	lead	lead	VERB
bibechana-15892	53	8	to	to	ADP
bibechana-15892	53	9	the	the	DET
bibechana-15892	53	10	structure	structure	NOUN
bibechana-15892	53	11	activity	activity	NOUN
bibechana-15892	53	12	of	of	ADP
bibechana-15892	53	13	the	the	DET
bibechana-15892	53	14	molecule	molecule	NOUN
bibechana-15892	53	15	.	.	PUNCT
bibechana-15892	54	1	a	a	DET
bibechana-15892	54	2	comparison	comparison	NOUN
bibechana-15892	54	3	of	of	ADP
bibechana-15892	54	4	the	the	DET
bibechana-15892	54	5	nbo	nbo	PROPN
bibechana-15892	54	6	and	and	CCONJ
bibechana-15892	54	7	mullikan	mullikan	PROPN
bibechana-15892	54	8	charges	charge	NOUN
bibechana-15892	54	9	is	be	AUX
bibechana-15892	54	10	given	give	VERB
bibechana-15892	54	11	in	in	ADP
bibechana-15892	54	12	the	the	DET
bibechana-15892	54	13	table	table	NOUN
bibechana-15892	54	14	2	2	NUM
bibechana-15892	54	15	.	.	PUNCT
bibechana-15892	54	16	bhawani	bhawani	PROPN
bibechana-15892	54	17	dutt	dutt	PROPN
bibechana-15892	54	18	joshi	joshi	PROPN
bibechana-15892	54	19	/	/	SYM
bibechana-15892	54	20	bibechana	bibechana	PROPN
bibechana-15892	54	21	14	14	NUM
bibechana-15892	54	22	(	(	PUNCT
bibechana-15892	54	23	2017	2017	NUM
bibechana-15892	54	24	)	)	PUNCT
bibechana-15892	54	25	86	86	NUM
bibechana-15892	54	26	-	-	SYM
bibechana-15892	54	27	97	97	NUM
bibechana-15892	54	28	:	:	PUNCT
bibechana-15892	54	29	rcost	rcost	NOUN
bibechana-15892	54	30	p.89	p.89	INTJ
bibechana-15892	54	31	(	(	PUNCT
bibechana-15892	54	32	online	online	ADJ
bibechana-15892	54	33	publication	publication	NOUN
bibechana-15892	54	34	:	:	PUNCT
bibechana-15892	55	1	dec	dec	PROPN
bibechana-15892	55	2	.	.	PROPN
bibechana-15892	55	3	,	,	PUNCT
bibechana-15892	55	4	2016	2016	NUM
bibechana-15892	55	5	)	)	PUNCT
bibechana-15892	55	6	table	table	NOUN
bibechana-15892	55	7	1	1	NUM
bibechana-15892	55	8	:	:	PUNCT
bibechana-15892	55	9	second	second	ADJ
bibechana-15892	55	10	order	order	NOUN
bibechana-15892	55	11	perturbation	perturbation	NOUN
bibechana-15892	55	12	theory	theory	NOUN
bibechana-15892	55	13	analysis	analysis	NOUN
bibechana-15892	55	14	of	of	ADP
bibechana-15892	55	15	fock	fock	ADJ
bibechana-15892	55	16	matrix	matrix	NOUN
bibechana-15892	55	17	in	in	ADP
bibechana-15892	55	18	nbo	nbo	PROPN
bibechana-15892	55	19	basis	basis	NOUN
bibechana-15892	55	20	for	for	ADP
bibechana-15892	55	21	aa	aa	PROPN
bibechana-15892	55	22	ii	ii	PROPN
bibechana-15892	55	23	.	.	PUNCT
bibechana-15892	56	1	donor	donor	PROPN
bibechana-15892	56	2	nbio(i	nbio(i	PROPN
bibechana-15892	56	3	)	)	PUNCT
bibechana-15892	56	4	ed	ed	NOUN
bibechana-15892	56	5	(	(	PUNCT
bibechana-15892	56	6	i)/e	i)/e	PROPN
bibechana-15892	56	7	acceptor	acceptor	NOUN
bibechana-15892	56	8	nbo(j	nbo(j	PROPN
bibechana-15892	56	9	)	)	PUNCT
bibechana-15892	56	10	ed	ed	NOUN
bibechana-15892	56	11	(	(	PUNCT
bibechana-15892	56	12	j)/e	j)/e	PROPN
bibechana-15892	56	13	e(2)a	e(2)a	PROPN
bibechana-15892	56	14	(	(	PUNCT
bibechana-15892	56	15	kcl	kcl	PROPN
bibechana-15892	56	16	/	/	SYM
bibechana-15892	56	17	mol	mol	PROPN
bibechana-15892	56	18	)	)	PUNCT
bibechana-15892	57	1	[	[	X
bibechana-15892	57	2	e(j	e(j	X
bibechana-15892	57	3	)	)	PUNCT
bibechana-15892	57	4	–	–	PUNCT
bibechana-15892	58	1	e(i)]b	e(i)]b	PROPN
bibechana-15892	58	2	f(i	f(i	PROPN
bibechana-15892	58	3	,	,	PUNCT
bibechana-15892	58	4	j)c	j)c	ADJ
bibechana-15892	58	5	lp(2)o1	lp(2)o1	AUX
bibechana-15892	58	6	1.85366	1.85366	NUM
bibechana-15892	58	7	𝜋	𝜋	NOUN
bibechana-15892	58	8	*	*	X
bibechana-15892	58	9	(	(	PUNCT
bibechana-15892	58	10	c11	c11	NOUN
bibechana-15892	58	11	–	–	PUNCT
bibechana-15892	58	12	c15	c15	PROPN
bibechana-15892	58	13	)	)	PUNCT
bibechana-15892	58	14	0.40135	0.40135	NUM
bibechana-15892	58	15	23.22	23.22	NUM
bibechana-15892	58	16	0.35	0.35	NUM
bibechana-15892	58	17	0.087	0.087	NUM
bibechana-15892	58	18	lp(2)o2	lp(2)o2	ADP
bibechana-15892	58	19	1.85651	1.85651	NUM
bibechana-15892	58	20	𝜋	𝜋	NOUN
bibechana-15892	58	21	*	*	X
bibechana-15892	58	22	(	(	PUNCT
bibechana-15892	58	23	c11	c11	NOUN
bibechana-15892	58	24	–	–	PUNCT
bibechana-15892	58	25	c15	c15	PROPN
bibechana-15892	58	26	)	)	PUNCT
bibechana-15892	58	27	0.40135	0.40135	NUM
bibechana-15892	58	28	23.59	23.59	NUM
bibechana-15892	58	29	0.35	0.35	NUM
bibechana-15892	58	30	0.086	0.086	NUM
bibechana-15892	58	31	lp(2)o3	lp(2)o3	NOUN
bibechana-15892	58	32	1.82127	1.82127	NUM
bibechana-15892	58	33	𝜋	𝜋	NOUN
bibechana-15892	58	34	*	*	X
bibechana-15892	58	35	(	(	PUNCT
bibechana-15892	58	36	o4	o4	PROPN
bibechana-15892	58	37	–	–	PUNCT
bibechana-15892	58	38	c23	c23	PROPN
bibechana-15892	58	39	)	)	PUNCT
bibechana-15892	58	40	0.24140	0.24140	NUM
bibechana-15892	58	41	41.00	41.00	NUM
bibechana-15892	58	42	0.36	0.36	NUM
bibechana-15892	58	43	0.111	0.111	NUM
bibechana-15892	58	44	lp(2)o4	lp(2)o4	PROPN
bibechana-15892	58	45	1.83912	1.83912	NUM
bibechana-15892	58	46	𝜎*(o3	𝜎*(o3	PROPN
bibechana-15892	58	47	c23	c23	PROPN
bibechana-15892	58	48	)	)	PUNCT
bibechana-15892	58	49	0.09844	0.09844	NUM
bibechana-15892	58	50	32.38	32.38	NUM
bibechana-15892	58	51	0.61	0.61	NUM
bibechana-15892	58	52	0.128	0.128	NUM
bibechana-15892	58	53	𝜎*(c13	𝜎*(c13	PROPN
bibechana-15892	58	54	c23	c23	PROPN
bibechana-15892	58	55	)	)	PUNCT
bibechana-15892	58	56	0.06750	0.06750	NUM
bibechana-15892	58	57	18.44	18.44	NUM
bibechana-15892	58	58	0.68	0.68	NUM
bibechana-15892	58	59	0.102	0.102	NUM
bibechana-15892	58	60	lp(2)o5	lp(2)o5	NOUN
bibechana-15892	58	61	1.89423	1.89423	NUM
bibechana-15892	58	62	𝜎*(o6	𝜎*(o6	PROPN
bibechana-15892	58	63	–	–	PUNCT
bibechana-15892	58	64	n7	n7	PROPN
bibechana-15892	58	65	)	)	PUNCT
bibechana-15892	58	66	0.07135	0.07135	NUM
bibechana-15892	58	67	19.19	19.19	NUM
bibechana-15892	58	68	0.71	0.71	NUM
bibechana-15892	58	69	0.105	0.105	NUM
bibechana-15892	58	70	𝜎*(n7	𝜎*(n7	PROPN
bibechana-15892	58	71	–	–	PUNCT
bibechana-15892	58	72	c14	c14	NOUN
bibechana-15892	58	73	)	)	PUNCT
bibechana-15892	58	74	0.10978	0.10978	NUM
bibechana-15892	58	75	14.26	14.26	NUM
bibechana-15892	58	76	0.55	0.55	NUM
bibechana-15892	58	77	0.079	0.079	NUM
bibechana-15892	58	78	lp(2)o6	lp(2)o6	VERB
bibechana-15892	58	79	1.89355	1.89355	NUM
bibechana-15892	58	80	𝜎*(o6	𝜎*(o6	NUM
bibechana-15892	58	81	–	–	PUNCT
bibechana-15892	58	82	n7	n7	PROPN
bibechana-15892	58	83	)	)	PUNCT
bibechana-15892	58	84	0.07135	0.07135	NUM
bibechana-15892	58	85	18.60	18.60	NUM
bibechana-15892	58	86	0.73	0.73	NUM
bibechana-15892	58	87	0.105	0.105	NUM
bibechana-15892	58	88	𝜋*(o5	𝜋*(o5	PROPN
bibechana-15892	58	89	–	–	PUNCT
bibechana-15892	58	90	n7	n7	PROPN
bibechana-15892	58	91	)	)	PUNCT
bibechana-15892	58	92	0.60349	0.60349	NUM
bibechana-15892	59	1	168.74	168.74	NUM
bibechana-15892	59	2	0.15	0.15	NUM
bibechana-15892	59	3	0.144	0.144	NUM
bibechana-15892	59	4	𝜎(c11	𝜎(c11	ADJ
bibechana-15892	59	5	c15	c15	NOUN
bibechana-15892	59	6	)	)	PUNCT
bibechana-15892	59	7	1.97681	1.97681	NUM
bibechana-15892	59	8	𝜎*(c8	𝜎*(c8	PROPN
bibechana-15892	59	9	c11	c11	NOUN
bibechana-15892	59	10	)	)	PUNCT
bibechana-15892	59	11	0.02801	0.02801	NUM
bibechana-15892	59	12	6.07	6.07	NUM
bibechana-15892	59	13	1.27	1.27	NUM
bibechana-15892	59	14	0.079	0.079	NUM
bibechana-15892	59	15	𝜎(c14	𝜎(c14	NUM
bibechana-15892	59	16	c16	c16	NOUN
bibechana-15892	59	17	)	)	PUNCT
bibechana-15892	59	18	1.97140	1.97140	NUM
bibechana-15892	59	19	𝜎*(c9	𝜎*(c9	PROPN
bibechana-15892	59	20	c14	c14	NOUN
bibechana-15892	59	21	)	)	PUNCT
bibechana-15892	59	22	0.03163	0.03163	NUM
bibechana-15892	59	23	5.49	5.49	NUM
bibechana-15892	59	24	1.24	1.24	NUM
bibechana-15892	59	25	0.074	0.074	NUM
bibechana-15892	59	26	𝜎(c16	𝜎(c16	NOUN
bibechana-15892	59	27	–	–	PUNCT
bibechana-15892	59	28	h24	h24	NOUN
bibechana-15892	59	29	)	)	PUNCT
bibechana-15892	59	30	1.97338	1.97338	NUM
bibechana-15892	59	31	𝜎*(c9	𝜎*(c9	NOUN
bibechana-15892	59	32	c14	c14	NOUN
bibechana-15892	59	33	)	)	PUNCT
bibechana-15892	59	34	0.03163	0.03163	NUM
bibechana-15892	59	35	6.26	6.26	NUM
bibechana-15892	59	36	1.02	1.02	NUM
bibechana-15892	59	37	0.072	0.072	NUM
bibechana-15892	59	38	𝜋(c8	𝜋(c8	NOUN
bibechana-15892	59	39	c9	c9	NOUN
bibechana-15892	59	40	)	)	PUNCT
bibechana-15892	59	41	1.58253	1.58253	NUM
bibechana-15892	59	42	𝜎*(o1	𝜎*(o1	SYM
bibechana-15892	59	43	c11	c11	NOUN
bibechana-15892	59	44	)	)	PUNCT
bibechana-15892	59	45	0.02832	0.02832	NUM
bibechana-15892	59	46	6.00	6.00	NUM
bibechana-15892	59	47	0.99	0.99	NUM
bibechana-15892	59	48	0.069	0.069	NUM
bibechana-15892	59	49	𝜋(c10	𝜋(c10	NUM
bibechana-15892	59	50	–	–	PUNCT
bibechana-15892	59	51	c12	c12	PROPN
bibechana-15892	59	52	)	)	PUNCT
bibechana-15892	59	53	1.56437	1.56437	NUM
bibechana-15892	59	54	𝜋	𝜋	NOUN
bibechana-15892	59	55	*	*	X
bibechana-15892	59	56	(	(	PUNCT
bibechana-15892	59	57	c8	c8	PROPN
bibechana-15892	59	58	–	–	PUNCT
bibechana-15892	59	59	c9	c9	PROPN
bibechana-15892	59	60	)	)	PUNCT
bibechana-15892	59	61	0.47400	0.47400	NUM
bibechana-15892	59	62	16.91	16.91	NUM
bibechana-15892	59	63	0.26	0.26	NUM
bibechana-15892	59	64	0.060	0.060	NUM
bibechana-15892	59	65	𝜋	𝜋	NOUN
bibechana-15892	59	66	*	*	X
bibechana-15892	59	67	(	(	PUNCT
bibechana-15892	59	68	c14	c14	NOUN
bibechana-15892	59	69	–	–	PUNCT
bibechana-15892	59	70	c16	c16	PROPN
bibechana-15892	59	71	)	)	PUNCT
bibechana-15892	59	72	0.22748	0.22748	NUM
bibechana-15892	59	73	16.78	16.78	NUM
bibechana-15892	59	74	0.28	0.28	NUM
bibechana-15892	59	75	0.065	0.065	NUM
bibechana-15892	59	76	𝜋	𝜋	NOUN
bibechana-15892	59	77	*	*	X
bibechana-15892	59	78	(	(	PUNCT
bibechana-15892	59	79	c18	c18	NOUN
bibechana-15892	59	80	–	–	PUNCT
bibechana-15892	59	81	c21	c21	NOUN
bibechana-15892	59	82	)	)	PUNCT
bibechana-15892	59	83	0.27488	0.27488	NUM
bibechana-15892	59	84	17.31	17.31	NUM
bibechana-15892	59	85	0.28	0.28	NUM
bibechana-15892	59	86	0.065	0.065	NUM
bibechana-15892	59	87	𝜋	𝜋	NOUN
bibechana-15892	59	88	*	*	X
bibechana-15892	59	89	(	(	PUNCT
bibechana-15892	59	90	c20	c20	NOUN
bibechana-15892	59	91	–	–	PUNCT
bibechana-15892	59	92	c22	c22	PROPN
bibechana-15892	59	93	)	)	PUNCT
bibechana-15892	59	94	0.27301	0.27301	NUM
bibechana-15892	59	95	17.26	17.26	NUM
bibechana-15892	59	96	0.28	0.28	NUM
bibechana-15892	59	97	0.065	0.065	NUM
bibechana-15892	59	98	𝜋(c11	𝜋(c11	ADJ
bibechana-15892	59	99	–	–	PUNCT
bibechana-15892	59	100	c15	c15	NOUN
bibechana-15892	59	101	)	)	PUNCT
bibechana-15892	59	102	1.63802	1.63802	NUM
bibechana-15892	59	103	𝜋	𝜋	NOUN
bibechana-15892	59	104	*	*	X
bibechana-15892	59	105	(	(	PUNCT
bibechana-15892	59	106	c8	c8	PROPN
bibechana-15892	59	107	–	–	PUNCT
bibechana-15892	59	108	c9	c9	PROPN
bibechana-15892	59	109	)	)	PUNCT
bibechana-15892	59	110	0.47400	0.47400	NUM
bibechana-15892	59	111	17.68	17.68	NUM
bibechana-15892	59	112	0.30	0.30	NUM
bibechana-15892	59	113	0.067	0.067	NUM
bibechana-15892	59	114	𝜋	𝜋	NOUN
bibechana-15892	59	115	*	*	X
bibechana-15892	59	116	(	(	PUNCT
bibechana-15892	59	117	c13	c13	PROPN
bibechana-15892	59	118	–	–	PUNCT
bibechana-15892	59	119	c17	c17	NOUN
bibechana-15892	59	120	)	)	PUNCT
bibechana-15892	59	121	0.36737	0.36737	NUM
bibechana-15892	59	122	20.25	20.25	NUM
bibechana-15892	59	123	0.31	0.31	NUM
bibechana-15892	59	124	0.071	0.071	NUM
bibechana-15892	59	125	𝜋(c13	𝜋(c13	NOUN
bibechana-15892	59	126	–	–	PUNCT
bibechana-15892	59	127	c17	c17	NOUN
bibechana-15892	59	128	)	)	PUNCT
bibechana-15892	59	129	1.68334	1.68334	NUM
bibechana-15892	59	130	𝜋	𝜋	NOUN
bibechana-15892	59	131	*	*	X
bibechana-15892	59	132	(	(	PUNCT
bibechana-15892	59	133	o4	o4	PROPN
bibechana-15892	59	134	–	–	PUNCT
bibechana-15892	59	135	c23	c23	PROPN
bibechana-15892	59	136	)	)	PUNCT
bibechana-15892	59	137	0.24140	0.24140	NUM
bibechana-15892	59	138	17.24	17.24	NUM
bibechana-15892	59	139	0.30	0.30	NUM
bibechana-15892	59	140	0.065	0.065	NUM
bibechana-15892	59	141	𝜋	𝜋	NOUN
bibechana-15892	59	142	*	*	X
bibechana-15892	59	143	(	(	PUNCT
bibechana-15892	59	144	c8	c8	PROPN
bibechana-15892	59	145	–	–	PUNCT
bibechana-15892	59	146	c9	c9	NOUN
bibechana-15892	59	147	)	)	PUNCT
bibechana-15892	59	148	0.47400	0.47400	NUM
bibechana-15892	59	149	18.48	18.48	NUM
bibechana-15892	59	150	0.28	0.28	NUM
bibechana-15892	59	151	0.067	0.067	NUM
bibechana-15892	59	152	𝜋	𝜋	NOUN
bibechana-15892	59	153	*	*	X
bibechana-15892	59	154	(	(	PUNCT
bibechana-15892	59	155	c11	c11	NOUN
bibechana-15892	59	156	–	–	PUNCT
bibechana-15892	59	157	c15	c15	PROPN
bibechana-15892	59	158	)	)	PUNCT
bibechana-15892	59	159	0.40135	0.40135	NUM
bibechana-15892	59	160	21.06	21.06	NUM
bibechana-15892	59	161	0.27	0.27	NUM
bibechana-15892	59	162	0.069	0.069	NUM
bibechana-15892	59	163	𝜋(c14	𝜋(c14	NOUN
bibechana-15892	59	164	–	–	PUNCT
bibechana-15892	59	165	c16	c16	PROPN
bibechana-15892	59	166	)	)	PUNCT
bibechana-15892	59	167	1.77190	1.77190	NUM
bibechana-15892	59	168	𝜋	𝜋	NOUN
bibechana-15892	59	169	*	*	X
bibechana-15892	59	170	(	(	PUNCT
bibechana-15892	59	171	o5	o5	PROPN
bibechana-15892	59	172	–	–	PUNCT
bibechana-15892	59	173	n7	n7	PROPN
bibechana-15892	59	174	)	)	PUNCT
bibechana-15892	59	175	0.60349	0.60349	NUM
bibechana-15892	59	176	16.48	16.48	NUM
bibechana-15892	59	177	0.17	0.17	NUM
bibechana-15892	59	178	0.052	0.052	NUM
bibechana-15892	59	179	𝜋	𝜋	NOUN
bibechana-15892	59	180	*	*	X
bibechana-15892	59	181	(	(	PUNCT
bibechana-15892	59	182	c8	c8	PROPN
bibechana-15892	59	183	–	–	PUNCT
bibechana-15892	59	184	c9	c9	NOUN
bibechana-15892	59	185	)	)	PUNCT
bibechana-15892	59	186	0.47400	0.47400	NUM
bibechana-15892	59	187	13.55	13.55	NUM
bibechana-15892	59	188	0.30	0.30	NUM
bibechana-15892	59	189	0.061	0.061	NUM
bibechana-15892	59	190	𝜋	𝜋	NOUN
bibechana-15892	59	191	*	*	X
bibechana-15892	59	192	(	(	PUNCT
bibechana-15892	59	193	c10	c10	PROPN
bibechana-15892	59	194	–	–	PUNCT
bibechana-15892	59	195	c12	c12	PROPN
bibechana-15892	59	196	)	)	PUNCT
bibechana-15892	59	197	0.44633	0.44633	NUM
bibechana-15892	59	198	12.99	12.99	NUM
bibechana-15892	59	199	0.31	0.31	NUM
bibechana-15892	59	200	0.060	0.060	NUM
bibechana-15892	59	201	𝜋(c18	𝜋(c18	NOUN
bibechana-15892	59	202	–	–	PUNCT
bibechana-15892	59	203	c21	c21	NOUN
bibechana-15892	59	204	)	)	PUNCT
bibechana-15892	59	205	1.68756	1.68756	NUM
bibechana-15892	59	206	𝜋	𝜋	NOUN
bibechana-15892	59	207	*	*	X
bibechana-15892	59	208	(	(	PUNCT
bibechana-15892	59	209	c10	c10	PROPN
bibechana-15892	59	210	–	–	PUNCT
bibechana-15892	59	211	c12	c12	PROPN
bibechana-15892	59	212	)	)	PUNCT
bibechana-15892	59	213	0.44633	0.44633	NUM
bibechana-15892	59	214	18.62	18.62	NUM
bibechana-15892	59	215	0.28	0.28	NUM
bibechana-15892	59	216	0.067	0.067	NUM
bibechana-15892	59	217	𝜋	𝜋	NOUN
bibechana-15892	59	218	*	*	X
bibechana-15892	59	219	(	(	PUNCT
bibechana-15892	59	220	c20	c20	NOUN
bibechana-15892	59	221	–	–	PUNCT
bibechana-15892	59	222	c22	c22	PROPN
bibechana-15892	59	223	)	)	PUNCT
bibechana-15892	59	224	0.27301	0.27301	NUM
bibechana-15892	59	225	18.46	18.46	NUM
bibechana-15892	59	226	0.29	0.29	NUM
bibechana-15892	59	227	0.066	0.066	NUM
bibechana-15892	59	228	𝜋(c20	𝜋(c20	NOUN
bibechana-15892	59	229	–	–	PUNCT
bibechana-15892	59	230	c22	c22	NOUN
bibechana-15892	59	231	)	)	PUNCT
bibechana-15892	59	232	1.69812	1.69812	NUM
bibechana-15892	59	233	𝜋	𝜋	NOUN
bibechana-15892	59	234	*	*	X
bibechana-15892	59	235	(	(	PUNCT
bibechana-15892	59	236	c10	c10	PROPN
bibechana-15892	59	237	–	–	PUNCT
bibechana-15892	59	238	c12	c12	PROPN
bibechana-15892	59	239	)	)	PUNCT
bibechana-15892	59	240	0.44633	0.44633	NUM
bibechana-15892	59	241	18.47	18.47	NUM
bibechana-15892	59	242	0.29	0.29	NUM
bibechana-15892	59	243	0.067	0.067	NUM
bibechana-15892	59	244	𝜋	𝜋	NOUN
bibechana-15892	59	245	*	*	X
bibechana-15892	59	246	(	(	PUNCT
bibechana-15892	59	247	c18	c18	NOUN
bibechana-15892	59	248	–	–	PUNCT
bibechana-15892	59	249	c21	c21	NOUN
bibechana-15892	59	250	)	)	PUNCT
bibechana-15892	59	251	0.27488	0.27488	NUM
bibechana-15892	59	252	18.77	18.77	NUM
bibechana-15892	59	253	0.29	0.29	NUM
bibechana-15892	59	254	0.067	0.067	NUM
bibechana-15892	59	255	𝜋*(c8	𝜋*(c8	PROPN
bibechana-15892	59	256	c9	c9	PROPN
bibechana-15892	59	257	)	)	PUNCT
bibechana-15892	59	258	0.47400	0.47400	NUM
bibechana-15892	59	259	𝜋	𝜋	NOUN
bibechana-15892	59	260	*	*	X
bibechana-15892	59	261	(	(	PUNCT
bibechana-15892	59	262	c10	c10	PROPN
bibechana-15892	59	263	–	–	PUNCT
bibechana-15892	59	264	c12	c12	PROPN
bibechana-15892	59	265	)	)	PUNCT
bibechana-15892	59	266	0.44633	0.44633	NUM
bibechana-15892	59	267	16.36	16.36	NUM
bibechana-15892	59	268	0.28	0.28	NUM
bibechana-15892	59	269	0.061	0.061	NUM
bibechana-15892	59	270	𝜋	𝜋	NOUN
bibechana-15892	59	271	*	*	X
bibechana-15892	59	272	(	(	PUNCT
bibechana-15892	59	273	c11	c11	NOUN
bibechana-15892	59	274	–	–	PUNCT
bibechana-15892	59	275	c15	c15	PROPN
bibechana-15892	59	276	)	)	PUNCT
bibechana-15892	59	277	0.40135	0.40135	NUM
bibechana-15892	59	278	23.40	23.40	NUM
bibechana-15892	59	279	0.26	0.26	NUM
bibechana-15892	59	280	0.070	0.070	NUM
bibechana-15892	59	281	𝜋	𝜋	NOUN
bibechana-15892	59	282	*	*	X
bibechana-15892	59	283	(	(	PUNCT
bibechana-15892	59	284	c13	c13	PROPN
bibechana-15892	59	285	–	–	PUNCT
bibechana-15892	59	286	c17	c17	NOUN
bibechana-15892	59	287	)	)	PUNCT
bibechana-15892	59	288	0.36737	0.36737	NUM
bibechana-15892	59	289	18.20	18.20	NUM
bibechana-15892	59	290	0.28	0.28	NUM
bibechana-15892	59	291	0.064	0.064	NUM
bibechana-15892	59	292	𝜋*(c10	𝜋*(c10	PROPN
bibechana-15892	59	293	–	–	PUNCT
bibechana-15892	59	294	c12	c12	PROPN
bibechana-15892	59	295	)	)	PUNCT
bibechana-15892	59	296	0.44633	0.44633	NUM
bibechana-15892	59	297	236.16	236.16	NUM
bibechana-15892	59	298	0.01	0.01	NUM
bibechana-15892	59	299	0.074	0.074	NUM
bibechana-15892	59	300	𝜋*(c14	𝜋*(c14	PROPN
bibechana-15892	59	301	–	–	PUNCT
bibechana-15892	59	302	c16	c16	PROPN
bibechana-15892	59	303	)	)	PUNCT
bibechana-15892	59	304	0.22748	0.22748	NUM
bibechana-15892	59	305	134.76	134.76	NUM
bibechana-15892	59	306	0.02	0.02	NUM
bibechana-15892	59	307	0.072	0.072	NUM
bibechana-15892	59	308	𝜋*(c11	𝜋*(c11	PROPN
bibechana-15892	59	309	–	–	PUNCT
bibechana-15892	59	310	c15	c15	NOUN
bibechana-15892	59	311	)	)	PUNCT
bibechana-15892	59	312	0.40135	0.40135	NUM
bibechana-15892	60	1	𝜋*(c13	𝜋*(c13	PROPN
bibechana-15892	60	2	–	–	PUNCT
bibechana-15892	60	3	c17	c17	NOUN
bibechana-15892	60	4	)	)	PUNCT
bibechana-15892	60	5	0.36737	0.36737	NUM
bibechana-15892	60	6	276.35	276.35	NUM
bibechana-15892	60	7	0.01	0.01	NUM
bibechana-15892	60	8	0.084	0.084	NUM
bibechana-15892	60	9	𝜋*(c13	𝜋*(c13	PROPN
bibechana-15892	60	10	–	–	PUNCT
bibechana-15892	60	11	c17	c17	NOUN
bibechana-15892	60	12	)	)	PUNCT
bibechana-15892	60	13	0.36737	0.36737	NUM
bibechana-15892	60	14	𝜋*(o4	𝜋*(o4	PROPN
bibechana-15892	60	15	–	–	PUNCT
bibechana-15892	60	16	c23	c23	PROPN
bibechana-15892	60	17	)	)	PUNCT
bibechana-15892	60	18	0.24140	0.24140	NUM
bibechana-15892	60	19	112.33	112.33	NUM
bibechana-15892	60	20	0.01	0.01	NUM
bibechana-15892	60	21	0.063	0.063	NUM
bibechana-15892	60	22	a	a	DET
bibechana-15892	60	23	e(2	e(2	NOUN
bibechana-15892	60	24	)	)	PUNCT
bibechana-15892	60	25	means	mean	VERB
bibechana-15892	60	26	energy	energy	NOUN
bibechana-15892	60	27	of	of	ADP
bibechana-15892	60	28	hyper	hyper	ADJ
bibechana-15892	60	29	conjugative	conjugative	NOUN
bibechana-15892	60	30	interaction	interaction	NOUN
bibechana-15892	60	31	(	(	PUNCT
bibechana-15892	60	32	stabilization	stabilization	NOUN
bibechana-15892	60	33	energy	energy	NOUN
bibechana-15892	60	34	)	)	PUNCT
bibechana-15892	60	35	.	.	PUNCT
bibechana-15892	61	1	b	b	X
bibechana-15892	61	2	energy	energy	NOUN
bibechana-15892	61	3	difference	difference	NOUN
bibechana-15892	61	4	between	between	ADP
bibechana-15892	61	5	donor	donor	NOUN
bibechana-15892	61	6	(	(	PUNCT
bibechana-15892	61	7	i	i	NOUN
bibechana-15892	61	8	)	)	PUNCT
bibechana-15892	61	9	and	and	CCONJ
bibechana-15892	61	10	acceptor	acceptor	NOUN
bibechana-15892	61	11	(	(	PUNCT
bibechana-15892	61	12	j	j	PROPN
bibechana-15892	61	13	)	)	PUNCT
bibechana-15892	61	14	nbo	nbo	PROPN
bibechana-15892	61	15	orbitals	orbital	NOUN
bibechana-15892	61	16	.	.	PUNCT
bibechana-15892	62	1	c	c	PROPN
bibechana-15892	63	1	f(i	f(i	PROPN
bibechana-15892	63	2	,	,	PUNCT
bibechana-15892	63	3	j	j	NOUN
bibechana-15892	63	4	)	)	PUNCT
bibechana-15892	63	5	is	be	AUX
bibechana-15892	63	6	the	the	DET
bibechana-15892	63	7	fock	fock	ADJ
bibechana-15892	63	8	matrix	matrix	NOUN
bibechana-15892	63	9	element	element	NOUN
bibechana-15892	63	10	between	between	ADP
bibechana-15892	63	11	i	i	PROPN
bibechana-15892	63	12	and	and	CCONJ
bibechana-15892	63	13	j	j	PROPN
bibechana-15892	63	14	nbo	nbo	PROPN
bibechana-15892	63	15	orbitals	orbitals	PROPN
bibechana-15892	63	16	.	.	PUNCT
bibechana-15892	64	1	bhawani	bhawani	PROPN
bibechana-15892	64	2	dutt	dutt	PROPN
bibechana-15892	64	3	joshi	joshi	PROPN
bibechana-15892	64	4	/	/	SYM
bibechana-15892	64	5	bibechana	bibechana	PROPN
bibechana-15892	64	6	14	14	NUM
bibechana-15892	64	7	(	(	PUNCT
bibechana-15892	64	8	2017	2017	NUM
bibechana-15892	64	9	)	)	PUNCT
bibechana-15892	64	10	86	86	NUM
bibechana-15892	64	11	-	-	SYM
bibechana-15892	64	12	97	97	NUM
bibechana-15892	64	13	:	:	PUNCT
bibechana-15892	64	14	rcost	rcost	NOUN
bibechana-15892	64	15	p.90	p.90	PROPN
bibechana-15892	64	16	(	(	PUNCT
bibechana-15892	64	17	online	online	ADJ
bibechana-15892	64	18	publication	publication	NOUN
bibechana-15892	64	19	:	:	PUNCT
bibechana-15892	65	1	dec	dec	PROPN
bibechana-15892	65	2	.	.	PROPN
bibechana-15892	65	3	,	,	PUNCT
bibechana-15892	65	4	2016	2016	NUM
bibechana-15892	65	5	)	)	PUNCT
bibechana-15892	65	6	table	table	NOUN
bibechana-15892	65	7	2	2	NUM
bibechana-15892	65	8	:	:	PUNCT
bibechana-15892	65	9	comparison	comparison	NOUN
bibechana-15892	65	10	between	between	ADP
bibechana-15892	65	11	nbo	nbo	PROPN
bibechana-15892	65	12	and	and	CCONJ
bibechana-15892	65	13	mullikan	mullikan	PROPN
bibechana-15892	65	14	charges	charge	NOUN
bibechana-15892	65	15	(	(	PUNCT
bibechana-15892	65	16	esu	esu	NOUN
bibechana-15892	65	17	)	)	PUNCT
bibechana-15892	65	18	of	of	ADP
bibechana-15892	65	19	aa	aa	PROPN
bibechana-15892	65	20	ii	ii	PROPN
bibechana-15892	65	21	.	.	PUNCT
bibechana-15892	66	1	atom	atom	PROPN
bibechana-15892	66	2	no	no	DET
bibechana-15892	66	3	nbo	nbo	PROPN
bibechana-15892	66	4	charges	charge	VERB
bibechana-15892	66	5	mulliken	mulliken	NOUN
bibechana-15892	66	6	charges	charge	NOUN
bibechana-15892	66	7	atom	atom	NOUN
bibechana-15892	66	8	no	no	DET
bibechana-15892	66	9	nbo	nbo	PROPN
bibechana-15892	66	10	charges	charge	VERB
bibechana-15892	66	11	mulliken	mulliken	NOUN
bibechana-15892	66	12	charges	charge	NOUN
bibechana-15892	66	13	1	1	NUM
bibechana-15892	66	14	o	o	NOUN
bibechana-15892	66	15	-0.541	-0.541	PUNCT
bibechana-15892	66	16	-0.364	-0.364	NOUN
bibechana-15892	66	17	2	2	NUM
bibechana-15892	66	18	o	o	NOUN
bibechana-15892	66	19	-0.523	-0.523	NOUN
bibechana-15892	66	20	-0.339	-0.339	NOUN
bibechana-15892	66	21	3	3	NUM
bibechana-15892	66	22	o	o	NOUN
bibechana-15892	66	23	-0.688	-0.688	NOUN
bibechana-15892	66	24	-0.064	-0.064	NOUN
bibechana-15892	66	25	14	14	NUM
bibechana-15892	66	26	c	c	NOUN
bibechana-15892	66	27	0.108	0.108	NUM
bibechana-15892	66	28	0.067	0.067	NUM
bibechana-15892	66	29	4	4	NUM
bibechana-15892	66	30	o	o	NOUN
bibechana-15892	66	31	-0.595	-0.595	PROPN
bibechana-15892	66	32	-0.333	-0.333	PUNCT
bibechana-15892	66	33	15	15	NUM
bibechana-15892	66	34	c	c	NOUN
bibechana-15892	66	35	0.269	0.269	NUM
bibechana-15892	66	36	0.189	0.189	NUM
bibechana-15892	66	37	5	5	NUM
bibechana-15892	66	38	o	o	NOUN
bibechana-15892	66	39	-0.367	-0.367	X
bibechana-15892	66	40	-0.245	-0.245	PROPN
bibechana-15892	66	41	16	16	NUM
bibechana-15892	66	42	c	c	NOUN
bibechana-15892	66	43	-0.147	-0.147	NUM
bibechana-15892	66	44	0.172	0.172	NUM
bibechana-15892	66	45	6	6	NUM
bibechana-15892	66	46	o	o	NOUN
bibechana-15892	66	47	-0.384	-0.384	PUNCT
bibechana-15892	66	48	-0.271	-0.271	NUM
bibechana-15892	66	49	17	17	NUM
bibechana-15892	66	50	c	c	NOUN
bibechana-15892	66	51	-0.201	-0.201	NOUN
bibechana-15892	66	52	0.122	0.122	NUM
bibechana-15892	66	53	7	7	NUM
bibechana-15892	66	54	n	n	ADP
bibechana-15892	66	55	0.522	0.522	NUM
bibechana-15892	66	56	0.156	0.156	NUM
bibechana-15892	66	57	18	18	NUM
bibechana-15892	66	58	c	c	NOUN
bibechana-15892	66	59	-0.180	-0.180	PROPN
bibechana-15892	67	1	0.080	0.080	NUM
bibechana-15892	67	2	8	8	NUM
bibechana-15892	67	3	c	c	NOUN
bibechana-15892	67	4	-0.061	-0.061	NOUN
bibechana-15892	67	5	-0.045	-0.045	PUNCT
bibechana-15892	67	6	19	19	NUM
bibechana-15892	67	7	c	c	NOUN
bibechana-15892	67	8	0.318	0.318	NUM
bibechana-15892	67	9	0.429	0.429	NUM
bibechana-15892	67	10	9	9	NUM
bibechana-15892	67	11	c	c	NOUN
bibechana-15892	67	12	-0.032	-0.032	ADP
bibechana-15892	67	13	0.103	0.103	NUM
bibechana-15892	67	14	20	20	NUM
bibechana-15892	67	15	c	c	NOUN
bibechana-15892	67	16	-0.165	-0.165	NOUN
bibechana-15892	67	17	0.032	0.032	NUM
bibechana-15892	67	18	10	10	NUM
bibechana-15892	67	19	c	c	NOUN
bibechana-15892	67	20	-0.026	-0.026	PUNCT
bibechana-15892	67	21	0.016	0.016	NUM
bibechana-15892	67	22	21	21	NUM
bibechana-15892	67	23	c	c	NOUN
bibechana-15892	67	24	-0.179	-0.179	PROPN
bibechana-15892	67	25	0.014	0.014	NUM
bibechana-15892	67	26	11	11	NUM
bibechana-15892	67	27	c	c	NOUN
bibechana-15892	67	28	0.298	0.298	NUM
bibechana-15892	67	29	0.078	0.078	NUM
bibechana-15892	67	30	22	22	NUM
bibechana-15892	67	31	c	c	NOUN
bibechana-15892	67	32	-0.189	-0.189	NOUN
bibechana-15892	67	33	0.027	0.027	NUM
bibechana-15892	67	34	12	12	NUM
bibechana-15892	67	35	c	c	NOUN
bibechana-15892	67	36	-0.054	-0.054	NOUN
bibechana-15892	67	37	-0.084	-0.084	NOUN
bibechana-15892	67	38	23	23	NUM
bibechana-15892	67	39	c	c	NOUN
bibechana-15892	67	40	0.820	0.820	NUM
bibechana-15892	67	41	0.328	0.328	NUM
bibechana-15892	67	42	13	13	NUM
bibechana-15892	67	43	c	c	NOUN
bibechana-15892	67	44	-0.124	-0.124	PROPN
bibechana-15892	68	1	-0.067	-0.067	NOUN
bibechana-15892	69	1	fig	fig	NOUN
bibechana-15892	69	2	.	.	PUNCT
bibechana-15892	70	1	2	2	NUM
bibechana-15892	70	2	:	:	PUNCT
bibechana-15892	70	3	correlation	correlation	NOUN
bibechana-15892	70	4	between	between	ADP
bibechana-15892	70	5	nbo	nbo	PROPN
bibechana-15892	70	6	and	and	CCONJ
bibechana-15892	70	7	mulliken	mulliken	NOUN
bibechana-15892	70	8	charges	charge	NOUN
bibechana-15892	70	9	.	.	PUNCT
bibechana-15892	71	1	3.2	3.2	NUM
bibechana-15892	71	2	chemical	chemical	NOUN
bibechana-15892	71	3	reactivity	reactivity	NOUN
bibechana-15892	71	4	3.2	3.2	NUM
bibechana-15892	71	5	(	(	PUNCT
bibechana-15892	71	6	a	a	X
bibechana-15892	71	7	)	)	PUNCT
bibechana-15892	71	8	global	global	ADJ
bibechana-15892	71	9	reactivity	reactivity	NOUN
bibechana-15892	71	10	descriptors	descriptor	VERB
bibechana-15892	71	11	electrophilicity	electrophilicity	NOUN
bibechana-15892	71	12	and	and	CCONJ
bibechana-15892	71	13	hardness	hardness	NOUN
bibechana-15892	71	14	are	be	AUX
bibechana-15892	71	15	two	two	NUM
bibechana-15892	71	16	important	important	ADJ
bibechana-15892	71	17	molecular	molecular	ADJ
bibechana-15892	71	18	properties	property	NOUN
bibechana-15892	71	19	,	,	PUNCT
bibechana-15892	71	20	which	which	PRON
bibechana-15892	71	21	are	be	AUX
bibechana-15892	71	22	useful	useful	ADJ
bibechana-15892	71	23	for	for	ADP
bibechana-15892	71	24	interpreting	interpreting	NOUN
bibechana-15892	71	25	and	and	CCONJ
bibechana-15892	71	26	understanding	understand	VERB
bibechana-15892	71	27	the	the	DET
bibechana-15892	71	28	stability	stability	NOUN
bibechana-15892	71	29	and	and	CCONJ
bibechana-15892	71	30	reactivity	reactivity	NOUN
bibechana-15892	71	31	of	of	ADP
bibechana-15892	71	32	molecular	molecular	ADJ
bibechana-15892	71	33	system	system	NOUN
bibechana-15892	71	34	[	[	X
bibechana-15892	71	35	17	17	NUM
bibechana-15892	71	36	]	]	PUNCT
bibechana-15892	71	37	.	.	PUNCT
bibechana-15892	72	1	according	accord	VERB
bibechana-15892	72	2	to	to	ADP
bibechana-15892	72	3	the	the	DET
bibechana-15892	72	4	hohenberg	hohenberg	PROPN
bibechana-15892	72	5	and	and	CCONJ
bibechana-15892	72	6	kohn	kohn	PROPN
bibechana-15892	72	7	(	(	PUNCT
bibechana-15892	72	8	hk	hk	PROPN
bibechana-15892	72	9	)	)	PUNCT
bibechana-15892	72	10	,	,	PUNCT
bibechana-15892	72	11	theorems	theorem	VERB
bibechana-15892	72	12	[	[	X
bibechana-15892	72	13	7	7	NUM
bibechana-15892	72	14	]	]	PUNCT
bibechana-15892	72	15	,	,	PUNCT
bibechana-15892	72	16	the	the	DET
bibechana-15892	72	17	energy	energy	NOUN
bibechana-15892	72	18	of	of	ADP
bibechana-15892	72	19	the	the	DET
bibechana-15892	72	20	basic	basic	ADJ
bibechana-15892	72	21	state	state	NOUN
bibechana-15892	72	22	of	of	ADP
bibechana-15892	72	23	an	an	DET
bibechana-15892	72	24	electronic	electronic	ADJ
bibechana-15892	72	25	system	system	NOUN
bibechana-15892	72	26	is	be	AUX
bibechana-15892	72	27	a	a	DET
bibechana-15892	72	28	functional	functional	ADJ
bibechana-15892	72	29	of	of	ADP
bibechana-15892	72	30	electron	electron	NOUN
bibechana-15892	72	31	density	density	NOUN
bibechana-15892	72	32	.	.	PUNCT
bibechana-15892	73	1	on	on	ADP
bibechana-15892	73	2	the	the	DET
bibechana-15892	73	3	basis	basis	NOUN
bibechana-15892	73	4	of	of	ADP
bibechana-15892	73	5	koopman	koopman	PROPN
bibechana-15892	73	6	’s	’s	PART
bibechana-15892	73	7	theorem	theorem	NOUN
bibechana-15892	73	8	[	[	X
bibechana-15892	73	9	17	17	NUM
bibechana-15892	73	10	]	]	PUNCT
bibechana-15892	73	11	,	,	PUNCT
bibechana-15892	73	12	global	global	ADJ
bibechana-15892	73	13	reactivity	reactivity	NOUN
bibechana-15892	73	14	descriptors	descriptor	NOUN
bibechana-15892	73	15	:	:	PUNCT
bibechana-15892	73	16	electronegativity	electronegativity	NOUN
bibechana-15892	73	17	(	(	PUNCT
bibechana-15892	73	18	χ	χ	NOUN
bibechana-15892	73	19	)	)	PUNCT
bibechana-15892	73	20	,	,	PUNCT
bibechana-15892	73	21	bhawani	bhawani	ADP
bibechana-15892	73	22	dutt	dutt	PROPN
bibechana-15892	73	23	joshi	joshi	PROPN
bibechana-15892	73	24	/	/	SYM
bibechana-15892	73	25	bibechana	bibechana	PROPN
bibechana-15892	73	26	14	14	NUM
bibechana-15892	73	27	(	(	PUNCT
bibechana-15892	73	28	2017	2017	NUM
bibechana-15892	73	29	)	)	PUNCT
bibechana-15892	73	30	86	86	NUM
bibechana-15892	73	31	-	-	SYM
bibechana-15892	73	32	97	97	NUM
bibechana-15892	73	33	:	:	PUNCT
bibechana-15892	73	34	rcost	rcost	NOUN
bibechana-15892	73	35	p.91	p.91	X
bibechana-15892	73	36	(	(	PUNCT
bibechana-15892	73	37	online	online	ADJ
bibechana-15892	73	38	publication	publication	NOUN
bibechana-15892	73	39	:	:	PUNCT
bibechana-15892	73	40	dec	dec	PROPN
bibechana-15892	73	41	.	.	PROPN
bibechana-15892	73	42	,	,	PUNCT
bibechana-15892	73	43	2016	2016	NUM
bibechana-15892	73	44	)	)	PUNCT
bibechana-15892	73	45	chemical	chemical	NOUN
bibechana-15892	73	46	potential	potential	NOUN
bibechana-15892	73	47	(	(	PUNCT
bibechana-15892	73	48	μ	μ	NOUN
bibechana-15892	73	49	)	)	PUNCT
bibechana-15892	73	50	,	,	PUNCT
bibechana-15892	73	51	global	global	ADJ
bibechana-15892	73	52	hardness	hardness	NOUN
bibechana-15892	73	53	(	(	PUNCT
bibechana-15892	73	54	η	η	NOUN
bibechana-15892	73	55	)	)	PUNCT
bibechana-15892	73	56	,	,	PUNCT
bibechana-15892	73	57	global	global	ADJ
bibechana-15892	73	58	softness	softness	NOUN
bibechana-15892	73	59	(	(	PUNCT
bibechana-15892	73	60	s	s	NOUN
bibechana-15892	73	61	)	)	PUNCT
bibechana-15892	73	62	and	and	CCONJ
bibechana-15892	73	63	global	global	ADJ
bibechana-15892	73	64	electrophilicity	electrophilicity	NOUN
bibechana-15892	73	65	index	index	NOUN
bibechana-15892	73	66	(	(	PUNCT
bibechana-15892	73	67	ω	ω	NOUN
bibechana-15892	73	68	)	)	PUNCT
bibechana-15892	73	69	were	be	AUX
bibechana-15892	73	70	calculated	calculate	VERB
bibechana-15892	73	71	using	use	VERB
bibechana-15892	73	72	the	the	DET
bibechana-15892	73	73	energies	energy	NOUN
bibechana-15892	73	74	of	of	ADP
bibechana-15892	73	75	frontier	frontier	NOUN
bibechana-15892	73	76	molecular	molecular	ADJ
bibechana-15892	73	77	orbitals	orbital	NOUN
bibechana-15892	73	78	ehomo	ehomo	ADJ
bibechana-15892	73	79	,	,	PUNCT
bibechana-15892	73	80	elumo	elumo	ADJ
bibechana-15892	73	81	and	and	CCONJ
bibechana-15892	73	82	given	give	VERB
bibechana-15892	73	83	by	by	ADP
bibechana-15892	73	84	relations	relation	NOUN
bibechana-15892	73	85	(	(	PUNCT
bibechana-15892	73	86	1	1	NUM
bibechana-15892	73	87	)	)	PUNCT
bibechana-15892	73	88	(	(	PUNCT
bibechana-15892	73	89	5	5	X
bibechana-15892	73	90	)	)	PUNCT
bibechana-15892	74	1	[	[	X
bibechana-15892	74	2	18	18	NUM
bibechana-15892	74	3	-	-	SYM
bibechana-15892	74	4	20	20	NUM
bibechana-15892	74	5	]	]	PUNCT
bibechana-15892	74	6	.	.	PUNCT
bibechana-15892	75	1	χ	χ	X
bibechana-15892	76	1	=	=	SYM
bibechana-15892	76	2	−	−	PROPN
bibechana-15892	76	3	1	1	NUM
bibechana-15892	76	4	2	2	NUM
bibechana-15892	76	5	[	[	PUNCT
bibechana-15892	76	6	𝐸𝐻𝑂𝑀𝑂	𝐸𝐻𝑂𝑀𝑂	PROPN
bibechana-15892	76	7	+	+	CCONJ
bibechana-15892	76	8	𝐸𝐿𝑈𝑀𝑂	𝐸𝐿𝑈𝑀𝑂	PROPN
bibechana-15892	76	9	]	]	PUNCT
bibechana-15892	76	10	(	(	PUNCT
bibechana-15892	76	11	1	1	X
bibechana-15892	76	12	)	)	PUNCT
bibechana-15892	76	13	μ	μ	NOUN
bibechana-15892	76	14	=	=	SYM
bibechana-15892	77	1	−	−	NOUN
bibechana-15892	77	2	χ	χ	NOUN
bibechana-15892	77	3	=	=	SYM
bibechana-15892	77	4	1	1	NUM
bibechana-15892	77	5	2	2	NUM
bibechana-15892	77	6	[	[	PUNCT
bibechana-15892	77	7	𝐸𝐻𝑂𝑀𝑂	𝐸𝐻𝑂𝑀𝑂	PROPN
bibechana-15892	77	8	+	+	CCONJ
bibechana-15892	77	9	𝐸𝐿𝑈𝑀𝑂	𝐸𝐿𝑈𝑀𝑂	PROPN
bibechana-15892	77	10	]	]	PUNCT
bibechana-15892	77	11	(	(	PUNCT
bibechana-15892	77	12	2	2	X
bibechana-15892	77	13	)	)	PUNCT
bibechana-15892	77	14	η	η	NOUN
bibechana-15892	77	15	=	=	SYM
bibechana-15892	77	16	1	1	NUM
bibechana-15892	77	17	2	2	NUM
bibechana-15892	77	18	[	[	PUNCT
bibechana-15892	77	19	𝐸𝐿𝑈𝑀𝑂	𝐸𝐿𝑈𝑀𝑂	ADJ
bibechana-15892	77	20	−	−	PROPN
bibechana-15892	77	21	𝐸𝐻𝑂𝑀𝑂	𝐸𝐻𝑂𝑀𝑂	PROPN
bibechana-15892	77	22	]	]	PUNCT
bibechana-15892	77	23	(	(	PUNCT
bibechana-15892	77	24	3	3	X
bibechana-15892	77	25	)	)	PUNCT
bibechana-15892	77	26	s	s	PART
bibechana-15892	77	27	=	=	SYM
bibechana-15892	77	28	1	1	NUM
bibechana-15892	77	29	2	2	NUM
bibechana-15892	77	30	η	η	X
bibechana-15892	77	31	(	(	PUNCT
bibechana-15892	77	32	4	4	NUM
bibechana-15892	77	33	)	)	PUNCT
bibechana-15892	77	34	ω	ω	NOUN
bibechana-15892	77	35	=	=	PROPN
bibechana-15892	77	36	μ2	μ2	PROPN
bibechana-15892	77	37	2η	2η	PROPN
bibechana-15892	77	38	(	(	PUNCT
bibechana-15892	77	39	5	5	X
bibechana-15892	77	40	)	)	PUNCT
bibechana-15892	77	41	∆𝑁𝑚𝑎𝑥	∆𝑁𝑚𝑎𝑥	NOUN
bibechana-15892	77	42	=	=	PUNCT
bibechana-15892	77	43	−	−	PROPN
bibechana-15892	77	44	μ	μ	PROPN
bibechana-15892	77	45	η	η	PROPN
bibechana-15892	77	46	(	(	PUNCT
bibechana-15892	77	47	6	6	NUM
bibechana-15892	77	48	)	)	PUNCT
bibechana-15892	77	49	according	accord	VERB
bibechana-15892	77	50	to	to	ADP
bibechana-15892	77	51	parr	parr	PROPN
bibechana-15892	77	52	et	et	PROPN
bibechana-15892	77	53	al	al	PROPN
bibechana-15892	77	54	.	.	PROPN
bibechana-15892	77	55	,	,	PUNCT
bibechana-15892	77	56	electrophilicity	electrophilicity	NOUN
bibechana-15892	77	57	index	index	NOUN
bibechana-15892	77	58	(	(	PUNCT
bibechana-15892	77	59	ω	ω	NOUN
bibechana-15892	77	60	)	)	PUNCT
bibechana-15892	77	61	,	,	PUNCT
bibechana-15892	77	62	a	a	DET
bibechana-15892	77	63	positive	positive	ADJ
bibechana-15892	77	64	and	and	CCONJ
bibechana-15892	77	65	finite	finite	ADJ
bibechana-15892	77	66	quantity	quantity	NOUN
bibechana-15892	77	67	,	,	PUNCT
bibechana-15892	77	68	is	be	AUX
bibechana-15892	77	69	a	a	DET
bibechana-15892	77	70	global	global	ADJ
bibechana-15892	77	71	reactivity	reactivity	NOUN
bibechana-15892	77	72	index	index	NOUN
bibechana-15892	77	73	similar	similar	ADJ
bibechana-15892	77	74	to	to	ADP
bibechana-15892	77	75	the	the	DET
bibechana-15892	77	76	chemical	chemical	ADJ
bibechana-15892	77	77	hardness	hardness	NOUN
bibechana-15892	77	78	(	(	PUNCT
bibechana-15892	77	79	a	a	DET
bibechana-15892	77	80	measure	measure	NOUN
bibechana-15892	77	81	of	of	ADP
bibechana-15892	77	82	the	the	DET
bibechana-15892	77	83	resistance	resistance	NOUN
bibechana-15892	77	84	of	of	ADP
bibechana-15892	77	85	a	a	DET
bibechana-15892	77	86	system	system	NOUN
bibechana-15892	77	87	to	to	PART
bibechana-15892	77	88	transfer	transfer	VERB
bibechana-15892	77	89	charge	charge	NOUN
bibechana-15892	77	90	)	)	PUNCT
bibechana-15892	77	91	,	,	PUNCT
bibechana-15892	77	92	and	and	CCONJ
bibechana-15892	77	93	chemical	chemical	NOUN
bibechana-15892	77	94	potential	potential	NOUN
bibechana-15892	77	95	.	.	PUNCT
bibechana-15892	78	1	this	this	DET
bibechana-15892	78	2	new	new	ADJ
bibechana-15892	78	3	reactivity	reactivity	NOUN
bibechana-15892	78	4	index	index	NOUN
bibechana-15892	78	5	measures	measure	VERB
bibechana-15892	78	6	the	the	DET
bibechana-15892	78	7	stabilization	stabilization	NOUN
bibechana-15892	78	8	in	in	ADP
bibechana-15892	78	9	energy	energy	NOUN
bibechana-15892	78	10	when	when	SCONJ
bibechana-15892	78	11	the	the	DET
bibechana-15892	78	12	system	system	NOUN
bibechana-15892	78	13	acquires	acquire	VERB
bibechana-15892	78	14	an	an	DET
bibechana-15892	78	15	additional	additional	ADJ
bibechana-15892	78	16	electronic	electronic	ADJ
bibechana-15892	78	17	charge	charge	NOUN
bibechana-15892	78	18	(	(	PUNCT
bibechana-15892	78	19	∆n	∆n	PROPN
bibechana-15892	78	20	)	)	PUNCT
bibechana-15892	78	21	from	from	ADP
bibechana-15892	78	22	the	the	DET
bibechana-15892	78	23	environment	environment	NOUN
bibechana-15892	78	24	up	up	ADP
bibechana-15892	78	25	to	to	ADP
bibechana-15892	78	26	saturation	saturation	NOUN
bibechana-15892	78	27	.	.	PUNCT
bibechana-15892	79	1	the	the	DET
bibechana-15892	79	2	direction	direction	NOUN
bibechana-15892	79	3	of	of	ADP
bibechana-15892	79	4	the	the	DET
bibechana-15892	79	5	charge	charge	NOUN
bibechana-15892	79	6	transfer	transfer	NOUN
bibechana-15892	79	7	is	be	AUX
bibechana-15892	79	8	completely	completely	ADV
bibechana-15892	79	9	determined	determine	VERB
bibechana-15892	79	10	by	by	ADP
bibechana-15892	79	11	the	the	DET
bibechana-15892	79	12	electronic	electronic	ADJ
bibechana-15892	79	13	chemical	chemical	NOUN
bibechana-15892	79	14	potential	potential	NOUN
bibechana-15892	79	15	of	of	ADP
bibechana-15892	79	16	the	the	DET
bibechana-15892	79	17	molecule	molecule	NOUN
bibechana-15892	79	18	because	because	SCONJ
bibechana-15892	79	19	an	an	DET
bibechana-15892	79	20	electrophile	electrophile	NOUN
bibechana-15892	79	21	is	be	AUX
bibechana-15892	79	22	a	a	DET
bibechana-15892	79	23	chemical	chemical	ADJ
bibechana-15892	79	24	species	specie	NOUN
bibechana-15892	79	25	capable	capable	ADJ
bibechana-15892	79	26	of	of	ADP
bibechana-15892	79	27	accepting	accept	VERB
bibechana-15892	79	28	electrons	electron	NOUN
bibechana-15892	79	29	from	from	ADP
bibechana-15892	79	30	the	the	DET
bibechana-15892	79	31	environments	environment	NOUN
bibechana-15892	79	32	.	.	PUNCT
bibechana-15892	80	1	therefore	therefore	ADV
bibechana-15892	80	2	its	its	PRON
bibechana-15892	80	3	energy	energy	NOUN
bibechana-15892	80	4	must	must	AUX
bibechana-15892	80	5	decrease	decrease	VERB
bibechana-15892	80	6	upon	upon	SCONJ
bibechana-15892	80	7	accepting	accept	VERB
bibechana-15892	80	8	electronic	electronic	ADJ
bibechana-15892	80	9	charge	charge	NOUN
bibechana-15892	80	10	and	and	CCONJ
bibechana-15892	80	11	its	its	PRON
bibechana-15892	80	12	electronic	electronic	ADJ
bibechana-15892	80	13	chemical	chemical	NOUN
bibechana-15892	80	14	potential	potential	NOUN
bibechana-15892	80	15	must	must	AUX
bibechana-15892	80	16	be	be	AUX
bibechana-15892	80	17	negative	negative	ADJ
bibechana-15892	80	18	.	.	PUNCT
bibechana-15892	81	1	the	the	DET
bibechana-15892	81	2	energies	energy	NOUN
bibechana-15892	81	3	of	of	ADP
bibechana-15892	81	4	frontier	frontier	NOUN
bibechana-15892	81	5	energy	energy	NOUN
bibechana-15892	81	6	levels	level	NOUN
bibechana-15892	81	7	(	(	PUNCT
bibechana-15892	81	8	ehomo	ehomo	ADJ
bibechana-15892	81	9	,	,	PUNCT
bibechana-15892	81	10	elumo	elumo	ADJ
bibechana-15892	81	11	)	)	PUNCT
bibechana-15892	81	12	,	,	PUNCT
bibechana-15892	81	13	energy	energy	NOUN
bibechana-15892	81	14	band	band	NOUN
bibechana-15892	81	15	gap	gap	NOUN
bibechana-15892	81	16	(	(	PUNCT
bibechana-15892	81	17	δe	δe	NOUN
bibechana-15892	81	18	)	)	PUNCT
bibechana-15892	81	19	,	,	PUNCT
bibechana-15892	81	20	electronegativity	electronegativity	NOUN
bibechana-15892	81	21	(	(	PUNCT
bibechana-15892	81	22	χ	χ	X
bibechana-15892	81	23	)	)	PUNCT
bibechana-15892	81	24	that	that	SCONJ
bibechana-15892	81	25	representing	represent	VERB
bibechana-15892	81	26	the	the	DET
bibechana-15892	81	27	tendency	tendency	NOUN
bibechana-15892	81	28	of	of	ADP
bibechana-15892	81	29	atoms	atom	NOUN
bibechana-15892	81	30	or	or	CCONJ
bibechana-15892	81	31	molecules	molecule	NOUN
bibechana-15892	81	32	to	to	PART
bibechana-15892	81	33	attract	attract	VERB
bibechana-15892	81	34	electrons	electron	NOUN
bibechana-15892	81	35	;	;	PUNCT
bibechana-15892	81	36	chemical	chemical	NOUN
bibechana-15892	81	37	potential	potential	NOUN
bibechana-15892	81	38	(	(	PUNCT
bibechana-15892	81	39	μ	μ	NOUN
bibechana-15892	81	40	)	)	PUNCT
bibechana-15892	81	41	,	,	PUNCT
bibechana-15892	81	42	global	global	ADJ
bibechana-15892	81	43	hardness	hardness	NOUN
bibechana-15892	81	44	(	(	PUNCT
bibechana-15892	81	45	η	η	NOUN
bibechana-15892	81	46	)	)	PUNCT
bibechana-15892	81	47	,	,	PUNCT
bibechana-15892	81	48	global	global	ADJ
bibechana-15892	81	49	softness	softness	NOUN
bibechana-15892	81	50	(	(	PUNCT
bibechana-15892	81	51	s	s	NOUN
bibechana-15892	81	52	)	)	PUNCT
bibechana-15892	81	53	,	,	PUNCT
bibechana-15892	81	54	global	global	ADJ
bibechana-15892	81	55	electrophilicity	electrophilicity	NOUN
bibechana-15892	81	56	index	index	NOUN
bibechana-15892	81	57	(	(	PUNCT
bibechana-15892	81	58	ω	ω	NOUN
bibechana-15892	81	59	)	)	PUNCT
bibechana-15892	81	60	,	,	PUNCT
bibechana-15892	81	61	and	and	CCONJ
bibechana-15892	81	62	additional	additional	ADJ
bibechana-15892	81	63	electronic	electronic	ADJ
bibechana-15892	81	64	charge	charge	NOUN
bibechana-15892	81	65	(	(	PUNCT
bibechana-15892	81	66	δn	δn	NOUN
bibechana-15892	81	67	)	)	PUNCT
bibechana-15892	81	68	for	for	ADP
bibechana-15892	81	69	aa	aa	PROPN
bibechana-15892	81	70	ii	ii	PROPN
bibechana-15892	81	71	are	be	AUX
bibechana-15892	81	72	listed	list	VERB
bibechana-15892	81	73	in	in	ADP
bibechana-15892	81	74	the	the	DET
bibechana-15892	81	75	table	table	NOUN
bibechana-15892	81	76	3	3	NUM
bibechana-15892	81	77	.	.	PUNCT
bibechana-15892	82	1	the	the	DET
bibechana-15892	82	2	calculated	calculate	VERB
bibechana-15892	82	3	high	high	ADJ
bibechana-15892	82	4	value	value	NOUN
bibechana-15892	82	5	of	of	ADP
bibechana-15892	82	6	electrofilicity	electrofilicity	NOUN
bibechana-15892	82	7	index	index	NOUN
bibechana-15892	82	8	(	(	PUNCT
bibechana-15892	82	9	ω	ω	NOUN
bibechana-15892	82	10	)	)	PUNCT
bibechana-15892	82	11	shows	show	VERB
bibechana-15892	82	12	that	that	SCONJ
bibechana-15892	82	13	the	the	DET
bibechana-15892	82	14	molecule	molecule	NOUN
bibechana-15892	82	15	behaves	behave	VERB
bibechana-15892	82	16	as	as	ADP
bibechana-15892	82	17	a	a	DET
bibechana-15892	82	18	strong	strong	ADJ
bibechana-15892	82	19	electrophile	electrophile	NOUN
bibechana-15892	83	1	.	.	PUNCT
bibechana-15892	83	2	table	table	NOUN
bibechana-15892	84	1	3	3	NUM
bibechana-15892	84	2	:	:	PUNCT
bibechana-15892	84	3	calculated	calculated	ADJ
bibechana-15892	84	4	ehomo	ehomo	NOUN
bibechana-15892	84	5	,	,	PUNCT
bibechana-15892	84	6	elumo	elumo	ADJ
bibechana-15892	84	7	,	,	PUNCT
bibechana-15892	84	8	energy	energy	NOUN
bibechana-15892	84	9	band	band	NOUN
bibechana-15892	84	10	gap	gap	NOUN
bibechana-15892	84	11	(	(	PUNCT
bibechana-15892	84	12	δe	δe	NOUN
bibechana-15892	84	13	)	)	PUNCT
bibechana-15892	84	14	,	,	PUNCT
bibechana-15892	84	15	electronegativity	electronegativity	NOUN
bibechana-15892	84	16	(	(	PUNCT
bibechana-15892	84	17	χ	χ	NOUN
bibechana-15892	84	18	)	)	PUNCT
bibechana-15892	84	19	,	,	PUNCT
bibechana-15892	84	20	chemical	chemical	NOUN
bibechana-15892	84	21	potential	potential	NOUN
bibechana-15892	84	22	(	(	PUNCT
bibechana-15892	84	23	μ	μ	NOUN
bibechana-15892	84	24	)	)	PUNCT
bibechana-15892	84	25	,	,	PUNCT
bibechana-15892	84	26	global	global	ADJ
bibechana-15892	84	27	hardness	hardness	NOUN
bibechana-15892	84	28	(	(	PUNCT
bibechana-15892	84	29	η	η	NOUN
bibechana-15892	84	30	)	)	PUNCT
bibechana-15892	84	31	,	,	PUNCT
bibechana-15892	84	32	global	global	ADJ
bibechana-15892	84	33	softness	softness	NOUN
bibechana-15892	84	34	(	(	PUNCT
bibechana-15892	84	35	s	s	NOUN
bibechana-15892	84	36	)	)	PUNCT
bibechana-15892	84	37	,	,	PUNCT
bibechana-15892	84	38	global	global	ADJ
bibechana-15892	84	39	electrophilicity	electrophilicity	NOUN
bibechana-15892	84	40	index	index	NOUN
bibechana-15892	84	41	(	(	PUNCT
bibechana-15892	84	42	ω	ω	NOUN
bibechana-15892	84	43	)	)	PUNCT
bibechana-15892	84	44	and	and	CCONJ
bibechana-15892	84	45	additional	additional	ADJ
bibechana-15892	84	46	electronic	electronic	ADJ
bibechana-15892	84	47	charge	charge	NOUN
bibechana-15892	84	48	(	(	PUNCT
bibechana-15892	84	49	δnmax	δnmax	PROPN
bibechana-15892	84	50	)	)	PUNCT
bibechana-15892	84	51	(	(	PUNCT
bibechana-15892	84	52	in	in	ADP
bibechana-15892	84	53	ev	ev	NOUN
bibechana-15892	84	54	)	)	PUNCT
bibechana-15892	84	55	for	for	ADP
bibechana-15892	84	56	aa	aa	PROPN
bibechana-15892	84	57	ii	ii	PROPN
bibechana-15892	84	58	,	,	PUNCT
bibechana-15892	84	59	using	use	VERB
bibechana-15892	84	60	b3lyp/6	b3lyp/6	PROPN
bibechana-15892	84	61	-	-	X
bibechana-15892	84	62	31	31	NUM
bibechana-15892	84	63	g	g	NOUN
bibechana-15892	84	64	(	(	PUNCT
bibechana-15892	84	65	d	d	PROPN
bibechana-15892	84	66	,	,	PUNCT
bibechana-15892	84	67	p	p	NOUN
bibechana-15892	84	68	)	)	PUNCT
bibechana-15892	84	69	.	.	PUNCT
bibechana-15892	85	1	ehomo	ehomo	PROPN
bibechana-15892	85	2	elumo	elumo	PROPN
bibechana-15892	85	3	∆e	∆e	PROPN
bibechana-15892	85	4	μ	μ	PROPN
bibechana-15892	85	5	η	η	PROPN
bibechana-15892	85	6	s	s	PROPN
bibechana-15892	85	7	ω	ω	PROPN
bibechana-15892	85	8	∆nmax	∆nmax	ADV
bibechana-15892	85	9	-6.113904	-6.113904	VERB
bibechana-15892	85	10	2.396963	2.396963	NUM
bibechana-15892	85	11	3.716941	3.716941	NUM
bibechana-15892	85	12	-4.267835	-4.267835	NOUN
bibechana-15892	85	13	1.858471	1.858471	NUM
bibechana-15892	85	14	0.269038	0.269038	NUM
bibechana-15892	85	15	4.900378	4.900378	NUM
bibechana-15892	85	16	2.296299	2.296299	NUM
bibechana-15892	85	17	3.2	3.2	NUM
bibechana-15892	85	18	(	(	PUNCT
bibechana-15892	85	19	b	b	NOUN
bibechana-15892	85	20	)	)	PUNCT
bibechana-15892	85	21	local	local	ADJ
bibechana-15892	85	22	reactivity	reactivity	NOUN
bibechana-15892	85	23	descriptors	descriptor	NOUN
bibechana-15892	85	24	using	use	VERB
bibechana-15892	85	25	hirshfeld	hirshfeld	ADJ
bibechana-15892	85	26	population	population	NOUN
bibechana-15892	85	27	analysis	analysis	NOUN
bibechana-15892	85	28	of	of	ADP
bibechana-15892	85	29	neutral	neutral	ADJ
bibechana-15892	85	30	,	,	PUNCT
bibechana-15892	85	31	cation	cation	NOUN
bibechana-15892	85	32	and	and	CCONJ
bibechana-15892	85	33	anion	anion	NOUN
bibechana-15892	85	34	state	state	NOUN
bibechana-15892	85	35	of	of	ADP
bibechana-15892	85	36	molecule	molecule	NOUN
bibechana-15892	85	37	,	,	PUNCT
bibechana-15892	85	38	fukui	fukui	PROPN
bibechana-15892	85	39	functions	function	NOUN
bibechana-15892	85	40	(	(	PUNCT
bibechana-15892	85	41	𝑓𝑘	𝑓𝑘	ADP
bibechana-15892	85	42	+	+	ADV
bibechana-15892	85	43	,	,	PUNCT
bibechana-15892	85	44	𝑓𝑘	𝑓𝑘	ADP
bibechana-15892	85	45	−	−	PROPN
bibechana-15892	85	46	,	,	PUNCT
bibechana-15892	85	47	𝑓𝑘	𝑓𝑘	ADV
bibechana-15892	85	48	0	0	NUM
bibechana-15892	85	49	)	)	PUNCT
bibechana-15892	86	1	[	[	X
bibechana-15892	86	2	20	20	NUM
bibechana-15892	86	3	,	,	PUNCT
bibechana-15892	86	4	21	21	NUM
bibechana-15892	86	5	]	]	PUNCT
bibechana-15892	86	6	,	,	PUNCT
bibechana-15892	86	7	are	be	AUX
bibechana-15892	86	8	calculated	calculate	VERB
bibechana-15892	86	9	at	at	ADP
bibechana-15892	86	10	same	same	ADJ
bibechana-15892	86	11	calculation	calculation	NOUN
bibechana-15892	86	12	method	method	NOUN
bibechana-15892	86	13	b3lyp/6	b3lyp/6	PROPN
bibechana-15892	86	14	-	-	PROPN
bibechana-15892	86	15	31	31	NUM
bibechana-15892	86	16	g	g	NOUN
bibechana-15892	86	17	(	(	PUNCT
bibechana-15892	86	18	d	d	PROPN
bibechana-15892	86	19	,	,	PUNCT
bibechana-15892	86	20	p	p	NOUN
bibechana-15892	86	21	)	)	PUNCT
bibechana-15892	86	22	using	use	VERB
bibechana-15892	86	23	following	follow	VERB
bibechana-15892	86	24	relations	relation	NOUN
bibechana-15892	86	25	(	(	PUNCT
bibechana-15892	86	26	7	7	NUM
bibechana-15892	86	27	-	-	SYM
bibechana-15892	86	28	9	9	NUM
bibechana-15892	86	29	):	):	PUNCT
bibechana-15892	86	30	𝑓𝑘	𝑓𝑘	PRON
bibechana-15892	86	31	+	+	NOUN
bibechana-15892	86	32	=	=	SYM
bibechana-15892	87	1	[	[	X
bibechana-15892	87	2	q(n+1	q(n+1	NOUN
bibechana-15892	87	3	)	)	PUNCT
bibechana-15892	87	4	–	–	PUNCT
bibechana-15892	87	5	q(n	q(n	PROPN
bibechana-15892	87	6	)	)	PUNCT
bibechana-15892	87	7	]	]	PUNCT
bibechana-15892	87	8	for	for	ADP
bibechana-15892	87	9	nucleophilic	nucleophilic	ADJ
bibechana-15892	87	10	attack	attack	NOUN
bibechana-15892	87	11	(	(	PUNCT
bibechana-15892	87	12	7	7	X
bibechana-15892	87	13	)	)	PUNCT
bibechana-15892	87	14	𝑓𝑘	𝑓𝑘	ADP
bibechana-15892	87	15	−	−	NOUN
bibechana-15892	87	16	=	=	PUNCT
bibechana-15892	88	1	[	[	X
bibechana-15892	88	2	q(n	q(n	X
bibechana-15892	88	3	)	)	PUNCT
bibechana-15892	88	4	–	–	PUNCT
bibechana-15892	88	5	q(n-1	q(n-1	PROPN
bibechana-15892	88	6	)	)	PUNCT
bibechana-15892	88	7	]	]	PUNCT
bibechana-15892	88	8	for	for	ADP
bibechana-15892	88	9	electrophilic	electrophilic	ADJ
bibechana-15892	88	10	attack	attack	NOUN
bibechana-15892	88	11	(	(	PUNCT
bibechana-15892	88	12	8)	8)	NUM
bibechana-15892	88	13	𝑓𝑘	𝑓𝑘	NOUN
bibechana-15892	88	14	0	0	NUM
bibechana-15892	88	15	=	=	SYM
bibechana-15892	88	16	½[q(n+1	½[q(n+1	X
bibechana-15892	88	17	)	)	PUNCT
bibechana-15892	88	18	–	–	PUNCT
bibechana-15892	88	19	q(n-1	q(n-1	NOUN
bibechana-15892	88	20	)	)	PUNCT
bibechana-15892	88	21	]	]	PUNCT
bibechana-15892	88	22	for	for	ADP
bibechana-15892	88	23	radical	radical	ADJ
bibechana-15892	88	24	attack	attack	NOUN
bibechana-15892	88	25	(	(	PUNCT
bibechana-15892	88	26	9	9	NUM
bibechana-15892	88	27	)	)	PUNCT
bibechana-15892	88	28	where	where	SCONJ
bibechana-15892	88	29	n	n	CCONJ
bibechana-15892	88	30	,	,	PUNCT
bibechana-15892	88	31	n-1	n-1	NOUN
bibechana-15892	88	32	and	and	CCONJ
bibechana-15892	88	33	n+1	n+1	PROPN
bibechana-15892	88	34	are	be	AUX
bibechana-15892	88	35	total	total	ADJ
bibechana-15892	88	36	electrons	electron	NOUN
bibechana-15892	88	37	present	present	ADJ
bibechana-15892	88	38	in	in	ADP
bibechana-15892	88	39	neutral	neutral	ADJ
bibechana-15892	88	40	,	,	PUNCT
bibechana-15892	88	41	cation	cation	NOUN
bibechana-15892	88	42	and	and	CCONJ
bibechana-15892	88	43	anion	anion	NOUN
bibechana-15892	88	44	state	state	NOUN
bibechana-15892	88	45	of	of	ADP
bibechana-15892	88	46	molecule	molecule	NOUN
bibechana-15892	88	47	,	,	PUNCT
bibechana-15892	88	48	respectively	respectively	ADV
bibechana-15892	88	49	.	.	PUNCT
bibechana-15892	89	1	local	local	ADJ
bibechana-15892	89	2	softnesses	softness	NOUN
bibechana-15892	89	3	(	(	PUNCT
bibechana-15892	89	4	𝑠𝑘	𝑠𝑘	NOUN
bibechana-15892	89	5	+	+	PROPN
bibechana-15892	89	6	,	,	PUNCT
bibechana-15892	89	7	𝑠𝑘	𝑠𝑘	NOUN
bibechana-15892	89	8	−	−	PROPN
bibechana-15892	89	9	,	,	PUNCT
bibechana-15892	89	10	𝑠𝑘	𝑠𝑘	NOUN
bibechana-15892	89	11	0	0	NUM
bibechana-15892	89	12	)	)	PUNCT
bibechana-15892	89	13	and	and	CCONJ
bibechana-15892	89	14	local	local	ADJ
bibechana-15892	89	15	electrophilicity	electrophilicity	NOUN
bibechana-15892	89	16	indices	index	NOUN
bibechana-15892	89	17	(	(	PUNCT
bibechana-15892	89	18	ω𝑘	ω𝑘	ADP
bibechana-15892	89	19	+	+	ADV
bibechana-15892	89	20	,	,	PUNCT
bibechana-15892	89	21	ω𝑘	ω𝑘	ADP
bibechana-15892	89	22	−	−	NOUN
bibechana-15892	89	23	,	,	PUNCT
bibechana-15892	89	24	ω𝑘	ω𝑘	ADP
bibechana-15892	89	25	0	0	NUM
bibechana-15892	89	26	)	)	PUNCT
bibechana-15892	89	27	,	,	PUNCT
bibechana-15892	89	28	also	also	ADV
bibechana-15892	89	29	used	use	VERB
bibechana-15892	89	30	to	to	PART
bibechana-15892	89	31	describe	describe	VERB
bibechana-15892	89	32	the	the	DET
bibechana-15892	89	33	reactivity	reactivity	NOUN
bibechana-15892	89	34	of	of	ADP
bibechana-15892	89	35	atoms	atom	NOUN
bibechana-15892	89	36	in	in	ADP
bibechana-15892	89	37	molecule	molecule	NOUN
bibechana-15892	89	38	,	,	PUNCT
bibechana-15892	89	39	are	be	AUX
bibechana-15892	89	40	calculated	calculate	VERB
bibechana-15892	89	41	using	use	VERB
bibechana-15892	89	42	the	the	DET
bibechana-15892	89	43	following	follow	VERB
bibechana-15892	89	44	equations	equation	NOUN
bibechana-15892	89	45	(	(	PUNCT
bibechana-15892	89	46	10	10	NUM
bibechana-15892	89	47	)	)	PUNCT
bibechana-15892	89	48	and	and	CCONJ
bibechana-15892	89	49	(	(	PUNCT
bibechana-15892	89	50	11	11	NUM
bibechana-15892	89	51	):	):	PUNCT
bibechana-15892	89	52	𝑠𝑘	𝑠𝑘	NOUN
bibechana-15892	89	53	+	+	NOUN
bibechana-15892	89	54	=	=	PUNCT
bibechana-15892	89	55	s𝑓𝑘	s𝑓𝑘	ADJ
bibechana-15892	89	56	+	+	NOUN
bibechana-15892	89	57	,	,	PUNCT
bibechana-15892	89	58	𝑠𝑘	𝑠𝑘	NOUN
bibechana-15892	89	59	−	−	NOUN
bibechana-15892	89	60	=	=	SYM
bibechana-15892	89	61	s𝑓𝑘	s𝑓𝑘	PROPN
bibechana-15892	89	62	−	−	NOUN
bibechana-15892	89	63	,	,	PUNCT
bibechana-15892	89	64	𝑠𝑘	𝑠𝑘	NOUN
bibechana-15892	89	65	0	0	NUM
bibechana-15892	89	66	=	=	SYM
bibechana-15892	89	67	s𝑓𝑘	s𝑓𝑘	NOUN
bibechana-15892	89	68	0	0	SYM
bibechana-15892	89	69	(	(	PUNCT
bibechana-15892	89	70	10	10	NUM
bibechana-15892	89	71	)	)	PUNCT
bibechana-15892	89	72	ω𝑘	ω𝑘	ADP
bibechana-15892	89	73	+	+	NOUN
bibechana-15892	89	74	=	=	NOUN
bibechana-15892	89	75	ω𝑓𝑘	ω𝑓𝑘	NUM
bibechana-15892	89	76	+	+	ADV
bibechana-15892	89	77	,	,	PUNCT
bibechana-15892	89	78	ω𝑘	ω𝑘	ADP
bibechana-15892	89	79	−	−	PROPN
bibechana-15892	89	80	=	=	SYM
bibechana-15892	89	81	ω𝑓𝑘	ω𝑓𝑘	NOUN
bibechana-15892	89	82	−	−	PROPN
bibechana-15892	89	83	,	,	PUNCT
bibechana-15892	89	84	ω𝑘	ω𝑘	ADV
bibechana-15892	89	85	0	0	NUM
bibechana-15892	89	86	=	=	SYM
bibechana-15892	89	87	ω𝑓𝑘	ω𝑓𝑘	X
bibechana-15892	89	88	0	0	NUM
bibechana-15892	89	89	(	(	PUNCT
bibechana-15892	89	90	11	11	NUM
bibechana-15892	89	91	)	)	PUNCT
bibechana-15892	89	92	where	where	SCONJ
bibechana-15892	89	93	+	+	ADJ
bibechana-15892	89	94	,	,	PUNCT
bibechana-15892	89	95	−	−	PROPN
bibechana-15892	89	96	,	,	PUNCT
bibechana-15892	89	97	0	0	NUM
bibechana-15892	89	98	signs	sign	NOUN
bibechana-15892	89	99	show	show	VERB
bibechana-15892	89	100	nucleophilic	nucleophilic	ADJ
bibechana-15892	89	101	,	,	PUNCT
bibechana-15892	89	102	electrophilic	electrophilic	ADJ
bibechana-15892	89	103	and	and	CCONJ
bibechana-15892	89	104	radical	radical	ADJ
bibechana-15892	89	105	attack	attack	NOUN
bibechana-15892	89	106	,	,	PUNCT
bibechana-15892	89	107	respectively	respectively	ADV
bibechana-15892	89	108	.	.	PUNCT
bibechana-15892	90	1	bhawani	bhawani	PROPN
bibechana-15892	90	2	dutt	dutt	PROPN
bibechana-15892	90	3	joshi	joshi	PROPN
bibechana-15892	90	4	/	/	SYM
bibechana-15892	90	5	bibechana	bibechana	PROPN
bibechana-15892	90	6	14	14	NUM
bibechana-15892	90	7	(	(	PUNCT
bibechana-15892	90	8	2017	2017	NUM
bibechana-15892	90	9	)	)	PUNCT
bibechana-15892	90	10	86	86	NUM
bibechana-15892	90	11	-	-	SYM
bibechana-15892	90	12	97	97	NUM
bibechana-15892	90	13	:	:	PUNCT
bibechana-15892	90	14	rcost	rcost	NOUN
bibechana-15892	90	15	p.92	p.92	NOUN
bibechana-15892	90	16	(	(	PUNCT
bibechana-15892	90	17	online	online	ADJ
bibechana-15892	90	18	publication	publication	NOUN
bibechana-15892	90	19	:	:	PUNCT
bibechana-15892	90	20	dec	dec	PROPN
bibechana-15892	90	21	.	.	PROPN
bibechana-15892	90	22	,	,	PUNCT
bibechana-15892	90	23	2016	2016	NUM
bibechana-15892	90	24	)	)	PUNCT
bibechana-15892	90	25	table	table	NOUN
bibechana-15892	90	26	4	4	NUM
bibechana-15892	90	27	:	:	PUNCT
bibechana-15892	90	28	hirshfelf	hirshfelf	PRON
bibechana-15892	90	29	atomic	atomic	ADJ
bibechana-15892	90	30	charges	charge	NOUN
bibechana-15892	90	31	(	(	PUNCT
bibechana-15892	90	32	in	in	ADP
bibechana-15892	90	33	esu	esu	NOUN
bibechana-15892	90	34	)	)	PUNCT
bibechana-15892	90	35	,	,	PUNCT
bibechana-15892	90	36	fukui	fukui	PROPN
bibechana-15892	90	37	functions	function	NOUN
bibechana-15892	90	38	(	(	PUNCT
bibechana-15892	90	39	𝑓𝑘	𝑓𝑘	ADP
bibechana-15892	90	40	+	+	ADV
bibechana-15892	90	41	,	,	PUNCT
bibechana-15892	90	42	𝑓𝑘	𝑓𝑘	ADP
bibechana-15892	90	43	−	−	PROPN
bibechana-15892	90	44	)	)	PUNCT
bibechana-15892	90	45	;	;	PUNCT
bibechana-15892	90	46	local	local	ADJ
bibechana-15892	90	47	softness	softness	NOUN
bibechana-15892	90	48	(	(	PUNCT
bibechana-15892	90	49	𝑠𝑘	𝑠𝑘	NOUN
bibechana-15892	90	50	+	+	PROPN
bibechana-15892	90	51	,	,	PUNCT
bibechana-15892	90	52	𝑠𝑘	𝑠𝑘	NOUN
bibechana-15892	90	53	−	−	PROPN
bibechana-15892	90	54	)	)	PUNCT
bibechana-15892	90	55	;	;	PUNCT
bibechana-15892	90	56	and	and	CCONJ
bibechana-15892	90	57	local	local	ADJ
bibechana-15892	90	58	electrophilicity	electrophilicity	NOUN
bibechana-15892	90	59	indices	index	NOUN
bibechana-15892	90	60	(	(	PUNCT
bibechana-15892	90	61	ω𝑘	ω𝑘	ADP
bibechana-15892	90	62	+	+	ADV
bibechana-15892	90	63	,	,	PUNCT
bibechana-15892	90	64	ω𝑘	ω𝑘	ADP
bibechana-15892	90	65	−	−	PROPN
bibechana-15892	90	66	)	)	PUNCT
bibechana-15892	90	67	;	;	PUNCT
bibechana-15892	90	68	in	in	ADP
bibechana-15892	90	69	ev	ev	INTJ
bibechana-15892	90	70	for	for	ADP
bibechana-15892	90	71	atomic	atomic	ADJ
bibechana-15892	90	72	sites	site	NOUN
bibechana-15892	90	73	of	of	ADP
bibechana-15892	90	74	aa	aa	PROPN
bibechana-15892	90	75	ii	ii	PROPN
bibechana-15892	90	76	,	,	PUNCT
bibechana-15892	90	77	using	use	VERB
bibechana-15892	90	78	hirshfeld	hirshfeld	ADJ
bibechana-15892	90	79	population	population	NOUN
bibechana-15892	90	80	analysis	analysis	NOUN
bibechana-15892	90	81	at	at	ADP
bibechana-15892	90	82	b3lyp/6	b3lyp/6	PROPN
bibechana-15892	90	83	-	-	X
bibechana-15892	90	84	31	31	NUM
bibechana-15892	90	85	g	g	NOUN
bibechana-15892	90	86	(	(	PUNCT
bibechana-15892	90	87	d	d	PROPN
bibechana-15892	90	88	,	,	PUNCT
bibechana-15892	90	89	p	p	NOUN
bibechana-15892	90	90	)	)	PUNCT
bibechana-15892	90	91	level	level	NOUN
bibechana-15892	90	92	.	.	PUNCT
bibechana-15892	91	1	atom	atom	NOUN
bibechana-15892	91	2	no	no	INTJ
bibechana-15892	91	3	.	.	PUNCT
bibechana-15892	92	1	hirshfeld	hirshfeld	PROPN
bibechana-15892	92	2	atomic	atomic	ADJ
bibechana-15892	92	3	charges	charge	NOUN
bibechana-15892	92	4	fukui	fukui	PROPN
bibechana-15892	92	5	functions	function	NOUN
bibechana-15892	92	6	local	local	ADJ
bibechana-15892	92	7	softness	softness	ADJ
bibechana-15892	92	8	local	local	ADJ
bibechana-15892	92	9	electrophilicity	electrophilicity	NOUN
bibechana-15892	92	10	indices	indice	VERB
bibechana-15892	92	11	qn	qn	X
bibechana-15892	92	12	qn+1	qn+1	VERB
bibechana-15892	92	13	qn-1	qn-1	ADP
bibechana-15892	92	14	𝑓𝑘	𝑓𝑘	ADP
bibechana-15892	93	1	+	+	CCONJ
bibechana-15892	93	2	𝑓𝑘	𝑓𝑘	VERB
bibechana-15892	93	3	−	−	ADP
bibechana-15892	93	4	𝑠𝑘	𝑠𝑘	NOUN
bibechana-15892	93	5	+	+	CCONJ
bibechana-15892	93	6	𝑠𝑘	𝑠𝑘	NOUN
bibechana-15892	93	7	−	−	NOUN
bibechana-15892	93	8	ω𝑘	ω𝑘	ADP
bibechana-15892	93	9	+	+	CCONJ
bibechana-15892	93	10	ω𝑘	ω𝑘	ADV
bibechana-15892	93	11	−	−	NUM
bibechana-15892	93	12	1	1	NUM
bibechana-15892	93	13	o	o	NOUN
bibechana-15892	93	14	-0.137056	-0.137056	PUNCT
bibechana-15892	93	15	-0.082403	-0.082403	NOUN
bibechana-15892	93	16	-0.154852	-0.154852	VERB
bibechana-15892	93	17	0.05465	0.05465	NOUN
bibechana-15892	93	18	0.01779	0.01779	NUM
bibechana-15892	94	1	0.0147	0.0147	NUM
bibechana-15892	94	2	0.0048	0.0048	NUM
bibechana-15892	94	3	0.2678	0.2678	NUM
bibechana-15892	94	4	0.0872	0.0872	NUM
bibechana-15892	94	5	2	2	NUM
bibechana-15892	94	6	o	o	NOUN
bibechana-15892	94	7	-0.154125	-0.154125	NOUN
bibechana-15892	94	8	-0.084260	-0.084260	NOUN
bibechana-15892	94	9	-0.180316	-0.180316	VERB
bibechana-15892	95	1	0.06986	0.06986	NUM
bibechana-15892	95	2	0.02619	0.02619	NUM
bibechana-15892	95	3	0.0188	0.0188	NUM
bibechana-15892	95	4	0.0070	0.0070	NUM
bibechana-15892	95	5	0.3424	0.3424	NUM
bibechana-15892	95	6	0.1283	0.1283	NUM
bibechana-15892	95	7	3	3	NUM
bibechana-15892	95	8	o	o	NOUN
bibechana-15892	95	9	0.014549	0.014549	NUM
bibechana-15892	95	10	0.054444	0.054444	NUM
bibechana-15892	95	11	-0.024939	-0.024939	NOUN
bibechana-15892	96	1	0.03989	0.03989	NUM
bibechana-15892	96	2	0.03948	0.03948	NUM
bibechana-15892	96	3	0.0107	0.0107	NUM
bibechana-15892	96	4	0.0106	0.0106	NUM
bibechana-15892	96	5	0.1955	0.1955	NUM
bibechana-15892	96	6	0.1935	0.1935	NUM
bibechana-15892	96	7	4	4	NUM
bibechana-15892	96	8	o	o	NOUN
bibechana-15892	96	9	-0.285351	-0.285351	NOUN
bibechana-15892	96	10	-0.247806	-0.247806	PROPN
bibechana-15892	96	11	-0.310391	-0.310391	PROPN
bibechana-15892	96	12	0.03754	0.03754	NUM
bibechana-15892	96	13	0.02504	0.02504	NUM
bibechana-15892	96	14	0.0101	0.0101	NUM
bibechana-15892	96	15	0.0067	0.0067	NUM
bibechana-15892	96	16	0.1840	0.1840	NUM
bibechana-15892	96	17	0.1227	0.1227	NUM
bibechana-15892	96	18	5	5	NUM
bibechana-15892	96	19	o	o	NOUN
bibechana-15892	96	20	-0.188738	-0.188738	NOUN
bibechana-15892	96	21	-0.146976	-0.146976	VERB
bibechana-15892	96	22	-0.272371	-0.272371	X
bibechana-15892	97	1	0.04176	0.04176	NUM
bibechana-15892	97	2	0.08363	0.08363	NUM
bibechana-15892	98	1	0.0112	0.0112	NUM
bibechana-15892	98	2	0.0225	0.0225	NUM
bibechana-15892	98	3	0.2046	0.2046	NUM
bibechana-15892	98	4	0.4098	0.4098	NUM
bibechana-15892	98	5	6	6	NUM
bibechana-15892	98	6	o	o	NOUN
bibechana-15892	98	7	-0.197151	-0.197151	NOUN
bibechana-15892	98	8	-0.168658	-0.168658	NOUN
bibechana-15892	98	9	-0.278778	-0.278778	NOUN
bibechana-15892	99	1	0.02849	0.02849	NUM
bibechana-15892	99	2	0.08162	0.08162	NUM
bibechana-15892	100	1	0.0077	0.0077	NUM
bibechana-15892	100	2	0.0220	0.0220	NUM
bibechana-15892	100	3	0.1396	0.1396	NUM
bibechana-15892	100	4	0.4000	0.4000	NUM
bibechana-15892	100	5	7	7	NUM
bibechana-15892	100	6	n	n	ADP
bibechana-15892	100	7	0.235014	0.235014	NUM
bibechana-15892	100	8	0.239420	0.239420	NUM
bibechana-15892	100	9	0.193255	0.193255	NUM
bibechana-15892	100	10	0.00440	0.00440	NUM
bibechana-15892	100	11	0.04175	0.04175	NUM
bibechana-15892	100	12	0.0012	0.0012	NUM
bibechana-15892	100	13	0.0112	0.0112	NUM
bibechana-15892	100	14	0.0216	0.0216	NUM
bibechana-15892	100	15	0.2046	0.2046	NUM
bibechana-15892	100	16	8	8	NUM
bibechana-15892	100	17	c	c	NOUN
bibechana-15892	100	18	-0.004447	-0.004447	NOUN
bibechana-15892	100	19	0.007625	0.007625	NUM
bibechana-15892	100	20	-0.015539	-0.015539	NOUN
bibechana-15892	100	21	0.01207	0.01207	NUM
bibechana-15892	100	22	0.01109	0.01109	NUM
bibechana-15892	100	23	0.0032	0.0032	NUM
bibechana-15892	100	24	0.0030	0.0030	NUM
bibechana-15892	100	25	0.0592	0.0592	NUM
bibechana-15892	100	26	0.0544	0.0544	NUM
bibechana-15892	100	27	9	9	NUM
bibechana-15892	100	28	c	c	NOUN
bibechana-15892	100	29	-0.001680	-0.001680	NOUN
bibechana-15892	100	30	0.024782	0.024782	NUM
bibechana-15892	100	31	-0.005068	-0.005068	NOUN
bibechana-15892	100	32	0.02646	0.02646	NUM
bibechana-15892	100	33	0.00338	0.00338	NUM
bibechana-15892	100	34	0.0071	0.0071	NUM
bibechana-15892	100	35	0.0009	0.0009	NUM
bibechana-15892	100	36	0.1297	0.1297	NUM
bibechana-15892	100	37	0.0166	0.0166	NUM
bibechana-15892	100	38	10	10	NUM
bibechana-15892	100	39	c	c	NOUN
bibechana-15892	100	40	0.002314	0.002314	NUM
bibechana-15892	100	41	0.017857	0.017857	NUM
bibechana-15892	100	42	-0.029614	-0.029614	NUM
bibechana-15892	101	1	0.01554	0.01554	NUM
bibechana-15892	101	2	0.03192	0.03192	NUM
bibechana-15892	101	3	0.0042	0.0042	NUM
bibechana-15892	101	4	0.0086	0.0086	NUM
bibechana-15892	101	5	0.0762	0.0762	NUM
bibechana-15892	101	6	0.1565	0.1565	NUM
bibechana-15892	101	7	11	11	NUM
bibechana-15892	101	8	c	c	NOUN
bibechana-15892	101	9	0.067660	0.067660	NUM
bibechana-15892	101	10	0.115375	0.115375	NUM
bibechana-15892	101	11	0.035707	0.035707	NUM
bibechana-15892	101	12	0.04771	0.04771	NUM
bibechana-15892	101	13	0.03195	0.03195	NUM
bibechana-15892	101	14	0.0128	0.0128	NUM
bibechana-15892	101	15	0.0086	0.0086	NUM
bibechana-15892	101	16	0.2338	0.2338	NUM
bibechana-15892	101	17	0.1566	0.1566	NUM
bibechana-15892	101	18	12	12	NUM
bibechana-15892	101	19	c	c	NOUN
bibechana-15892	101	20	-0.003587	-0.003587	VERB
bibechana-15892	101	21	0.019794	0.019794	NUM
bibechana-15892	101	22	-0.024961	-0.024961	NOUN
bibechana-15892	101	23	0.02338	0.02338	NUM
bibechana-15892	101	24	0.02137	0.02137	NUM
bibechana-15892	101	25	0.0063	0.0063	NUM
bibechana-15892	101	26	0.0058	0.0058	NUM
bibechana-15892	101	27	0.1146	0.1146	NUM
bibechana-15892	101	28	0.1047	0.1047	NUM
bibechana-15892	101	29	13	13	NUM
bibechana-15892	101	30	c	c	NOUN
bibechana-15892	101	31	-0.019426	-0.019426	NOUN
bibechana-15892	101	32	0.041108	0.041108	NUM
bibechana-15892	101	33	-0.050936	-0.050936	NOUN
bibechana-15892	101	34	0.06053	0.06053	NUM
bibechana-15892	101	35	0.03151	0.03151	NUM
bibechana-15892	101	36	0.0163	0.0163	NUM
bibechana-15892	101	37	0.0085	0.0085	NUM
bibechana-15892	101	38	0.2966	0.2966	NUM
bibechana-15892	101	39	0.1544	0.1544	NUM
bibechana-15892	101	40	14	14	NUM
bibechana-15892	101	41	c	c	NOUN
bibechana-15892	101	42	0.037710	0.037710	NUM
bibechana-15892	101	43	0.073211	0.073211	NUM
bibechana-15892	101	44	-0.007816	-0.007816	NOUN
bibechana-15892	102	1	0.03550	0.03550	NUM
bibechana-15892	102	2	0.04552	0.04552	NUM
bibechana-15892	102	3	0.0096	0.0096	NUM
bibechana-15892	102	4	0.0122	0.0122	NUM
bibechana-15892	102	5	0.1740	0.1740	NUM
bibechana-15892	102	6	0.2231	0.2231	NUM
bibechana-15892	102	7	15	15	NUM
bibechana-15892	102	8	c	c	NOUN
bibechana-15892	102	9	0.060119	0.060119	NUM
bibechana-15892	102	10	0.117917	0.117917	NUM
bibechana-15892	102	11	0.026964	0.026964	NUM
bibechana-15892	103	1	0.05779	0.05779	NUM
bibechana-15892	103	2	0.03315	0.03315	NUM
bibechana-15892	103	3	0.0155	0.0155	NUM
bibechana-15892	103	4	0.0089	0.0089	NUM
bibechana-15892	103	5	0.2832	0.2832	NUM
bibechana-15892	103	6	0.1625	0.1625	NUM
bibechana-15892	103	7	16	16	NUM
bibechana-15892	103	8	c	c	NOUN
bibechana-15892	103	9	0.032000	0.032000	NUM
bibechana-15892	103	10	0.105890	0.105890	NUM
bibechana-15892	103	11	-0.068122	-0.068122	NOUN
bibechana-15892	103	12	0.07389	0.07389	NUM
bibechana-15892	103	13	0.10012	0.10012	NUM
bibechana-15892	103	14	0.0199	0.0199	NUM
bibechana-15892	103	15	0.0269	0.0269	NUM
bibechana-15892	103	16	0.3621	0.3621	NUM
bibechana-15892	103	17	0.4906	0.4906	NUM
bibechana-15892	103	18	17	17	NUM
bibechana-15892	103	19	c	c	NOUN
bibechana-15892	103	20	0.027244	0.027244	NUM
bibechana-15892	103	21	0.077415	0.077415	NUM
bibechana-15892	103	22	-0.035180	-0.035180	NOUN
bibechana-15892	103	23	0.05017	0.05017	NUM
bibechana-15892	103	24	0.06242	0.06242	NUM
bibechana-15892	103	25	0.0135	0.0135	NUM
bibechana-15892	103	26	0.0168	0.0168	NUM
bibechana-15892	103	27	0.2459	0.2459	NUM
bibechana-15892	103	28	0.3059	0.3059	NUM
bibechana-15892	103	29	18	18	NUM
bibechana-15892	103	30	c	c	NOUN
bibechana-15892	103	31	0.001778	0.001778	NUM
bibechana-15892	103	32	0.029849	0.029849	NUM
bibechana-15892	103	33	-0.037889	-0.037889	NOUN
bibechana-15892	103	34	0.02807	0.02807	NUM
bibechana-15892	103	35	0.03966	0.03966	NUM
bibechana-15892	103	36	0.0076	0.0076	NUM
bibechana-15892	103	37	0.0107	0.0107	NUM
bibechana-15892	103	38	0.1376	0.1376	NUM
bibechana-15892	103	39	0.1944	0.1944	NUM
bibechana-15892	103	40	19	19	NUM
bibechana-15892	103	41	c	c	NOUN
bibechana-15892	103	42	0.252942	0.252942	NUM
bibechana-15892	103	43	0.342971	0.342971	NUM
bibechana-15892	103	44	0.204487	0.204487	NUM
bibechana-15892	103	45	0.09002	0.09002	NUM
bibechana-15892	103	46	0.04845	0.04845	NUM
bibechana-15892	103	47	0.0242	0.0242	NUM
bibechana-15892	103	48	0.0130	0.0130	NUM
bibechana-15892	103	49	0.4412	0.4412	NUM
bibechana-15892	103	50	0.2374	0.2374	NUM
bibechana-15892	103	51	20	20	NUM
bibechana-15892	103	52	c	c	NOUN
bibechana-15892	103	53	0.019442	0.019442	NUM
bibechana-15892	103	54	0.075432	0.075432	NUM
bibechana-15892	103	55	-0.037948	-0.037948	NOUN
bibechana-15892	103	56	0.05599	0.05599	NUM
bibechana-15892	103	57	0.05739	0.05739	NUM
bibechana-15892	103	58	0.0151	0.0151	NUM
bibechana-15892	103	59	0.0154	0.0154	NUM
bibechana-15892	103	60	0.2744	0.2744	NUM
bibechana-15892	103	61	0.2812	0.2812	NUM
bibechana-15892	103	62	21	21	NUM
bibechana-15892	103	63	c	c	NOUN
bibechana-15892	103	64	0.016208	0.016208	NUM
bibechana-15892	103	65	0.092320	0.092320	NUM
bibechana-15892	103	66	-0.075592	-0.075592	NOUN
bibechana-15892	103	67	0.07611	0.07611	NUM
bibechana-15892	103	68	0.0918	0.0918	NUM
bibechana-15892	103	69	0.0205	0.0205	NUM
bibechana-15892	103	70	0.0247	0.0247	NUM
bibechana-15892	103	71	0.3730	0.3730	NUM
bibechana-15892	103	72	0.4499	0.4499	NUM
bibechana-15892	103	73	22	22	NUM
bibechana-15892	103	74	c	c	NOUN
bibechana-15892	103	75	0.014773	0.014773	NUM
bibechana-15892	103	76	0.073505	0.073505	NUM
bibechana-15892	103	77	-0.047009	-0.047009	NOUN
bibechana-15892	104	1	0.05873	0.05873	NUM
bibechana-15892	104	2	0.06178	0.06178	NUM
bibechana-15892	104	3	0.0158	0.0158	NUM
bibechana-15892	104	4	0.0166	0.0166	NUM
bibechana-15892	104	5	0.2878	0.2878	NUM
bibechana-15892	104	6	0.3028	0.3028	NUM
bibechana-15892	104	7	23	23	NUM
bibechana-15892	104	8	c	c	NOUN
bibechana-15892	104	9	0.209756	0.209756	NUM
bibechana-15892	104	10	0.221156	0.221156	NUM
bibechana-15892	104	11	0.196862	0.196862	NUM
bibechana-15892	104	12	0.0114	0.0114	NUM
bibechana-15892	104	13	0.01289	0.01289	NUM
bibechana-15892	104	14	0.0031	0.0031	NUM
bibechana-15892	104	15	0.0035	0.0035	NUM
bibechana-15892	104	16	0.0559	0.0559	NUM
bibechana-15892	104	17	0.0632	0.0632	NUM
bibechana-15892	104	18	bhawani	bhawani	NOUN
bibechana-15892	104	19	dutt	dutt	PROPN
bibechana-15892	104	20	joshi	joshi	PROPN
bibechana-15892	104	21	/	/	SYM
bibechana-15892	104	22	bibechana	bibechana	PROPN
bibechana-15892	104	23	14	14	NUM
bibechana-15892	104	24	(	(	PUNCT
bibechana-15892	104	25	2017	2017	NUM
bibechana-15892	104	26	)	)	PUNCT
bibechana-15892	104	27	86	86	NUM
bibechana-15892	104	28	-	-	SYM
bibechana-15892	104	29	97	97	NUM
bibechana-15892	104	30	:	:	PUNCT
bibechana-15892	104	31	rcost	rcost	NOUN
bibechana-15892	104	32	p.93	p.93	X
bibechana-15892	104	33	(	(	PUNCT
bibechana-15892	104	34	online	online	ADJ
bibechana-15892	104	35	publication	publication	NOUN
bibechana-15892	104	36	:	:	PUNCT
bibechana-15892	104	37	dec	dec	PROPN
bibechana-15892	104	38	.	.	PROPN
bibechana-15892	104	39	,	,	PUNCT
bibechana-15892	104	40	2016	2016	NUM
bibechana-15892	104	41	)	)	PUNCT
bibechana-15892	104	42	3.3	3.3	NUM
bibechana-15892	104	43	thermodynamic	thermodynamic	ADJ
bibechana-15892	104	44	properties	property	NOUN
bibechana-15892	104	45	computation	computation	NOUN
bibechana-15892	104	46	of	of	ADP
bibechana-15892	104	47	thermodynamic	thermodynamic	ADJ
bibechana-15892	104	48	properties	property	NOUN
bibechana-15892	104	49	of	of	ADP
bibechana-15892	104	50	molecules	molecule	NOUN
bibechana-15892	104	51	is	be	AUX
bibechana-15892	104	52	important	important	ADJ
bibechana-15892	104	53	for	for	ADP
bibechana-15892	104	54	both	both	CCONJ
bibechana-15892	104	55	thermochemistry	thermochemistry	NOUN
bibechana-15892	104	56	and	and	CCONJ
bibechana-15892	104	57	chemical	chemical	NOUN
bibechana-15892	104	58	equilibrium	equilibrium	NOUN
bibechana-15892	104	59	.	.	PUNCT
bibechana-15892	105	1	statistical	statistical	ADJ
bibechana-15892	105	2	thermodynamics	thermodynamic	NOUN
bibechana-15892	105	3	with	with	ADP
bibechana-15892	105	4	the	the	DET
bibechana-15892	105	5	two	two	NUM
bibechana-15892	105	6	key	key	ADJ
bibechana-15892	105	7	ideas	idea	NOUN
bibechana-15892	105	8	,	,	PUNCT
bibechana-15892	105	9	boltzmann	boltzmann	PROPN
bibechana-15892	105	10	distribution	distribution	NOUN
bibechana-15892	105	11	and	and	CCONJ
bibechana-15892	105	12	the	the	DET
bibechana-15892	105	13	partition	partition	NOUN
bibechana-15892	105	14	function	function	NOUN
bibechana-15892	105	15	leads	lead	VERB
bibechana-15892	105	16	to	to	ADP
bibechana-15892	105	17	the	the	DET
bibechana-15892	105	18	derivation	derivation	NOUN
bibechana-15892	105	19	of	of	ADP
bibechana-15892	105	20	the	the	DET
bibechana-15892	105	21	equations	equation	NOUN
bibechana-15892	105	22	utilized	utilize	VERB
bibechana-15892	105	23	for	for	ADP
bibechana-15892	105	24	computing	compute	VERB
bibechana-15892	105	25	thermochemical	thermochemical	ADJ
bibechana-15892	105	26	data	datum	NOUN
bibechana-15892	105	27	in	in	ADP
bibechana-15892	105	28	gaussian	gaussian	ADJ
bibechana-15892	105	29	programs	program	NOUN
bibechana-15892	105	30	.	.	PUNCT
bibechana-15892	106	1	the	the	DET
bibechana-15892	106	2	standard	standard	ADJ
bibechana-15892	106	3	thermodynamic	thermodynamic	ADJ
bibechana-15892	106	4	functions	function	NOUN
bibechana-15892	106	5	:	:	PUNCT
bibechana-15892	106	6	heat	heat	NOUN
bibechana-15892	106	7	capacity	capacity	NOUN
bibechana-15892	106	8	(	(	PUNCT
bibechana-15892	106	9	𝐶𝑝,𝑚	𝐶𝑝,𝑚	PROPN
bibechana-15892	106	10	𝑜	𝑜	PROPN
bibechana-15892	106	11	)	)	PUNCT
bibechana-15892	106	12	,	,	PUNCT
bibechana-15892	106	13	entropy	entropy	PROPN
bibechana-15892	106	14	(	(	PUNCT
bibechana-15892	106	15	𝑆𝑚	𝑆𝑚	PROPN
bibechana-15892	106	16	𝑜	𝑜	PROPN
bibechana-15892	106	17	)	)	PUNCT
bibechana-15892	106	18	and	and	CCONJ
bibechana-15892	106	19	enthalpy	enthalpy	NOUN
bibechana-15892	106	20	(	(	PUNCT
bibechana-15892	106	21	𝐻𝑚	𝐻𝑚	PROPN
bibechana-15892	106	22	𝑜	𝑜	NOUN
bibechana-15892	106	23	)	)	PUNCT
bibechana-15892	106	24	together	together	ADV
bibechana-15892	106	25	with	with	ADP
bibechana-15892	106	26	the	the	DET
bibechana-15892	106	27	total	total	ADJ
bibechana-15892	106	28	energy	energy	NOUN
bibechana-15892	106	29	,	,	PUNCT
bibechana-15892	106	30	zero	zero	NUM
bibechana-15892	106	31	point	point	NOUN
bibechana-15892	106	32	energy	energy	NOUN
bibechana-15892	106	33	,	,	PUNCT
bibechana-15892	106	34	rotational	rotational	ADJ
bibechana-15892	106	35	constants	constant	NOUN
bibechana-15892	106	36	,	,	PUNCT
bibechana-15892	106	37	dipole	dipole	NOUN
bibechana-15892	106	38	moment	moment	NOUN
bibechana-15892	106	39	were	be	AUX
bibechana-15892	106	40	obtained	obtain	VERB
bibechana-15892	106	41	directly	directly	ADV
bibechana-15892	106	42	from	from	ADP
bibechana-15892	106	43	the	the	DET
bibechana-15892	106	44	output	output	NOUN
bibechana-15892	106	45	of	of	ADP
bibechana-15892	106	46	dft	dft	PROPN
bibechana-15892	106	47	calculation	calculation	NOUN
bibechana-15892	106	48	employing	employ	VERB
bibechana-15892	106	49	6	6	NUM
bibechana-15892	106	50	-	-	SYM
bibechana-15892	106	51	311	311	NUM
bibechana-15892	106	52	g	g	NOUN
bibechana-15892	106	53	(	(	PUNCT
bibechana-15892	106	54	d	d	PROPN
bibechana-15892	106	55	,	,	PUNCT
bibechana-15892	106	56	p	p	NOUN
bibechana-15892	106	57	)	)	PUNCT
bibechana-15892	106	58	basis	basis	NOUN
bibechana-15892	106	59	set	set	NOUN
bibechana-15892	106	60	and	and	CCONJ
bibechana-15892	106	61	listed	list	VERB
bibechana-15892	106	62	in	in	ADP
bibechana-15892	106	63	tables	table	NOUN
bibechana-15892	106	64	5a	5a	NUM
bibechana-15892	106	65	and	and	CCONJ
bibechana-15892	106	66	b.	b.	PROPN
bibechana-15892	106	67	as	as	SCONJ
bibechana-15892	106	68	observed	observe	VERB
bibechana-15892	106	69	from	from	ADP
bibechana-15892	106	70	the	the	DET
bibechana-15892	106	71	table	table	NOUN
bibechana-15892	106	72	,	,	PUNCT
bibechana-15892	106	73	the	the	DET
bibechana-15892	106	74	values	value	NOUN
bibechana-15892	106	75	of	of	ADP
bibechana-15892	106	76	𝐶𝑝,𝑚	𝐶𝑝,𝑚	PROPN
bibechana-15892	106	77	𝑜	𝑜	NOUN
bibechana-15892	106	78	,	,	PUNCT
bibechana-15892	106	79	𝑆𝑚	𝑆𝑚	PROPN
bibechana-15892	106	80	𝑜	𝑜	PROPN
bibechana-15892	106	81	and	and	CCONJ
bibechana-15892	106	82	𝐻𝑚	𝐻𝑚	VERB
bibechana-15892	106	83	𝑜	𝑜	PRON
bibechana-15892	106	84	increase	increase	NOUN
bibechana-15892	106	85	with	with	ADP
bibechana-15892	106	86	the	the	DET
bibechana-15892	106	87	increase	increase	NOUN
bibechana-15892	106	88	of	of	ADP
bibechana-15892	106	89	temperature	temperature	NOUN
bibechana-15892	106	90	from	from	ADP
bibechana-15892	106	91	100	100	NUM
bibechana-15892	106	92	k	k	NOUN
bibechana-15892	106	93	to	to	ADP
bibechana-15892	106	94	900	900	NUM
bibechana-15892	106	95	k	k	NOUN
bibechana-15892	106	96	which	which	PRON
bibechana-15892	106	97	is	be	AUX
bibechana-15892	106	98	attributed	attribute	VERB
bibechana-15892	106	99	to	to	ADP
bibechana-15892	106	100	the	the	DET
bibechana-15892	106	101	enhancement	enhancement	NOUN
bibechana-15892	106	102	of	of	ADP
bibechana-15892	106	103	molecular	molecular	ADJ
bibechana-15892	106	104	vibration	vibration	NOUN
bibechana-15892	106	105	while	while	SCONJ
bibechana-15892	106	106	the	the	DET
bibechana-15892	106	107	temperature	temperature	NOUN
bibechana-15892	106	108	increases	increase	VERB
bibechana-15892	106	109	.	.	PUNCT
bibechana-15892	107	1	the	the	DET
bibechana-15892	107	2	correlation	correlation	NOUN
bibechana-15892	107	3	between	between	ADP
bibechana-15892	107	4	temperature	temperature	NOUN
bibechana-15892	107	5	and	and	CCONJ
bibechana-15892	107	6	these	these	DET
bibechana-15892	107	7	thermodynamic	thermodynamic	ADJ
bibechana-15892	107	8	properties	property	NOUN
bibechana-15892	107	9	are	be	AUX
bibechana-15892	107	10	given	give	VERB
bibechana-15892	107	11	in	in	ADP
bibechana-15892	107	12	fig	fig	NOUN
bibechana-15892	107	13	.	.	PUNCT
bibechana-15892	108	1	3	3	X
bibechana-15892	108	2	.	.	NOUN
bibechana-15892	108	3	table	table	NOUN
bibechana-15892	108	4	5(a	5(a	NUM
bibechana-15892	108	5	):	):	PUNCT
bibechana-15892	108	6	theoretically	theoretically	ADV
bibechana-15892	108	7	calculated	calculate	VERB
bibechana-15892	108	8	thermodynamic	thermodynamic	ADJ
bibechana-15892	108	9	properties	property	NOUN
bibechana-15892	108	10	at	at	ADP
bibechana-15892	108	11	different	different	ADJ
bibechana-15892	108	12	temperatures	temperature	NOUN
bibechana-15892	108	13	using	use	VERB
bibechana-15892	108	14	6	6	NUM
bibechana-15892	108	15	-	-	SYM
bibechana-15892	108	16	311	311	NUM
bibechana-15892	108	17	g	g	NOUN
bibechana-15892	108	18	(	(	PUNCT
bibechana-15892	108	19	d	d	PROPN
bibechana-15892	108	20	,	,	PUNCT
bibechana-15892	108	21	p	p	NOUN
bibechana-15892	108	22	)	)	PUNCT
bibechana-15892	108	23	basis	basis	NOUN
bibechana-15892	108	24	set	set	NOUN
bibechana-15892	108	25	.	.	PUNCT
bibechana-15892	109	1	temperature	temperature	NOUN
bibechana-15892	109	2	(	(	PUNCT
bibechana-15892	109	3	k	k	NOUN
bibechana-15892	109	4	)	)	PUNCT
bibechana-15892	109	5	enthalpy	enthalpy	NOUN
bibechana-15892	109	6	(	(	PUNCT
bibechana-15892	109	7	kj	kj	PROPN
bibechana-15892	109	8	/	/	SYM
bibechana-15892	109	9	mol	mol	NOUN
bibechana-15892	109	10	)	)	PUNCT
bibechana-15892	109	11	specific	specific	ADJ
bibechana-15892	109	12	heat	heat	NOUN
bibechana-15892	109	13	(	(	PUNCT
bibechana-15892	109	14	j	j	PROPN
bibechana-15892	109	15	/	/	SYM
bibechana-15892	109	16	mol	mol	PROPN
bibechana-15892	109	17	-	-	PUNCT
bibechana-15892	109	18	k	k	NOUN
bibechana-15892	109	19	)	)	PUNCT
bibechana-15892	109	20	entropy	entropy	NOUN
bibechana-15892	109	21	(	(	PUNCT
bibechana-15892	109	22	j	j	PROPN
bibechana-15892	109	23	/	/	SYM
bibechana-15892	109	24	mol	mol	PROPN
bibechana-15892	109	25	-	-	PUNCT
bibechana-15892	109	26	k	k	NOUN
bibechana-15892	109	27	)	)	PUNCT
bibechana-15892	109	28	100	100	NUM
bibechana-15892	110	1	600.0808	600.0808	NUM
bibechana-15892	110	2	109.4366	109.4366	NUM
bibechana-15892	110	3	349.5692	349.5692	NUM
bibechana-15892	110	4	200	200	NUM
bibechana-15892	110	5	615.3002	615.3002	NUM
bibechana-15892	110	6	195.5655	195.5655	NUM
bibechana-15892	110	7	457.4258	457.4258	NUM
bibechana-15892	110	8	300	300	NUM
bibechana-15892	110	9	639.3226	639.3226	NUM
bibechana-15892	110	10	284.6956	284.6956	NUM
bibechana-15892	110	11	556.9808	556.9808	NUM
bibechana-15892	110	12	400	400	NUM
bibechana-15892	110	13	671.9977	671.9977	NUM
bibechana-15892	110	14	366.7323	366.7323	NUM
bibechana-15892	110	15	652.7906	652.7906	NUM
bibechana-15892	110	16	500	500	NUM
bibechana-15892	110	17	712.2009	712.2009	NUM
bibechana-15892	110	18	434.9499	434.9499	NUM
bibechana-15892	110	19	744.0818	744.0818	NUM
bibechana-15892	110	20	600	600	NUM
bibechana-15892	110	21	758.5195	758.5195	NUM
bibechana-15892	110	22	489.2314	489.2314	NUM
bibechana-15892	110	23	829.8888	829.8888	NUM
bibechana-15892	110	24	700	700	NUM
bibechana-15892	110	25	809.6702	809.6702	NUM
bibechana-15892	110	26	532.1265	532.1265	NUM
bibechana-15892	110	27	909.9358	909.9358	NUM
bibechana-15892	110	28	800	800	NUM
bibechana-15892	110	29	864.6581	864.6581	NUM
bibechana-15892	110	30	566.3607	566.3607	PROPN
bibechana-15892	110	31	984.4193	984.4193	NUM
bibechana-15892	110	32	900	900	NUM
bibechana-15892	110	33	922.7266	922.7266	NUM
bibechana-15892	110	34	594.0700	594.0700	NUM
bibechana-15892	110	35	1053.757	1053.757	NOUN
bibechana-15892	110	36	the	the	DET
bibechana-15892	110	37	correlation	correlation	NOUN
bibechana-15892	110	38	equations	equation	NOUN
bibechana-15892	110	39	are	be	AUX
bibechana-15892	110	40	as	as	SCONJ
bibechana-15892	110	41	follows	follow	VERB
bibechana-15892	110	42	:	:	PUNCT
bibechana-15892	111	1	𝐻𝑚	𝐻𝑚	PROPN
bibechana-15892	111	2	𝑜	𝑜	NOUN
bibechana-15892	111	3	=	=	SYM
bibechana-15892	111	4	583.65002	583.65002	NUM
bibechana-15892	111	5	+	+	NUM
bibechana-15892	111	6	0.10323	0.10323	NUM
bibechana-15892	111	7	t	t	NOUN
bibechana-15892	111	8	+	+	NOUN
bibechana-15892	111	9	3.07745	3.07745	NUM
bibechana-15892	111	10	x10	x10	NOUN
bibechana-15892	111	11	-	-	SYM
bibechana-15892	111	12	4t2	4t2	NOUN
bibechana-15892	111	13	(	(	PUNCT
bibechana-15892	111	14	r2	r2	PROPN
bibechana-15892	111	15	=	=	SYM
bibechana-15892	111	16	0.99952	0.99952	NUM
bibechana-15892	111	17	)	)	PUNCT
bibechana-15892	111	18	(	(	PUNCT
bibechana-15892	111	19	12	12	NUM
bibechana-15892	111	20	)	)	PUNCT
bibechana-15892	111	21	𝐶𝑝,𝑚	𝐶𝑝,𝑚	PROPN
bibechana-15892	111	22	𝑜	𝑜	NOUN
bibechana-15892	111	23	=	=	SYM
bibechana-15892	111	24	-2.98254	-2.98254	NOUN
bibechana-15892	111	25	+	+	CCONJ
bibechana-15892	111	26	1.12581	1.12581	NUM
bibechana-15892	111	27	t	t	NOUN
bibechana-15892	111	28	–	–	PUNCT
bibechana-15892	111	29	5.14425	5.14425	NUM
bibechana-15892	111	30	x10	x10	NOUN
bibechana-15892	111	31	-	-	SYM
bibechana-15892	111	32	4	4	NUM
bibechana-15892	111	33	t2	t2	NOUN
bibechana-15892	111	34	(	(	PUNCT
bibechana-15892	111	35	r2	r2	NOUN
bibechana-15892	111	36	=	=	SYM
bibechana-15892	111	37	0.99957	0.99957	NUM
bibechana-15892	111	38	)	)	PUNCT
bibechana-15892	111	39	(	(	PUNCT
bibechana-15892	111	40	13	13	NUM
bibechana-15892	111	41	)	)	PUNCT
bibechana-15892	111	42	𝑆𝑚	𝑆𝑚	NOUN
bibechana-15892	111	43	𝑜	𝑜	NOUN
bibechana-15892	111	44	=	=	SYM
bibechana-15892	111	45	238.13449	238.13449	NUM
bibechana-15892	111	46	+	+	SYM
bibechana-15892	111	47	1.14381	1.14381	NUM
bibechana-15892	111	48	–	–	PUNCT
bibechana-15892	111	49	2.63687	2.63687	NUM
bibechana-15892	111	50	x10	x10	NUM
bibechana-15892	111	51	-	-	SYM
bibechana-15892	111	52	4	4	NUM
bibechana-15892	111	53	t2	t2	NOUN
bibechana-15892	111	54	(	(	PUNCT
bibechana-15892	111	55	r2	r2	NOUN
bibechana-15892	111	56	=	=	SYM
bibechana-15892	111	57	0.99999	0.99999	NUM
bibechana-15892	111	58	)	)	PUNCT
bibechana-15892	111	59	(	(	PUNCT
bibechana-15892	111	60	14	14	NUM
bibechana-15892	111	61	)	)	PUNCT
bibechana-15892	111	62	these	these	DET
bibechana-15892	111	63	thermodynamic	thermodynamic	ADJ
bibechana-15892	111	64	relations	relation	NOUN
bibechana-15892	111	65	would	would	AUX
bibechana-15892	111	66	provide	provide	VERB
bibechana-15892	111	67	useful	useful	ADJ
bibechana-15892	111	68	information	information	NOUN
bibechana-15892	111	69	for	for	ADP
bibechana-15892	111	70	the	the	DET
bibechana-15892	111	71	study	study	NOUN
bibechana-15892	111	72	of	of	ADP
bibechana-15892	111	73	thermodynamic	thermodynamic	ADJ
bibechana-15892	111	74	energies	energy	NOUN
bibechana-15892	111	75	and	and	CCONJ
bibechana-15892	111	76	estimate	estimate	VERB
bibechana-15892	111	77	directions	direction	NOUN
bibechana-15892	111	78	of	of	ADP
bibechana-15892	111	79	chemical	chemical	ADJ
bibechana-15892	111	80	reactions	reaction	NOUN
bibechana-15892	111	81	according	accord	VERB
bibechana-15892	111	82	to	to	ADP
bibechana-15892	111	83	the	the	DET
bibechana-15892	111	84	second	second	ADJ
bibechana-15892	111	85	law	law	NOUN
bibechana-15892	111	86	of	of	ADP
bibechana-15892	111	87	thermodynamics	thermodynamic	NOUN
bibechana-15892	111	88	in	in	ADP
bibechana-15892	111	89	thermochemical	thermochemical	ADJ
bibechana-15892	111	90	field	field	NOUN
bibechana-15892	111	91	.	.	PUNCT
bibechana-15892	112	1	further	far	ADV
bibechana-15892	112	2	,	,	PUNCT
bibechana-15892	112	3	these	these	DET
bibechana-15892	112	4	equations	equation	NOUN
bibechana-15892	112	5	could	could	AUX
bibechana-15892	112	6	be	be	AUX
bibechana-15892	112	7	utilized	utilize	VERB
bibechana-15892	112	8	in	in	ADP
bibechana-15892	112	9	predicting	predict	VERB
bibechana-15892	112	10	the	the	DET
bibechana-15892	112	11	gibbs	gibbs	PROPN
bibechana-15892	112	12	free	free	ADJ
bibechana-15892	112	13	energy	energy	NOUN
bibechana-15892	112	14	,	,	PUNCT
bibechana-15892	112	15	which	which	PRON
bibechana-15892	112	16	would	would	AUX
bibechana-15892	112	17	help	help	VERB
bibechana-15892	112	18	in	in	ADP
bibechana-15892	112	19	the	the	DET
bibechana-15892	112	20	judgment	judgment	NOUN
bibechana-15892	112	21	of	of	ADP
bibechana-15892	112	22	spontaneity	spontaneity	NOUN
bibechana-15892	112	23	of	of	ADP
bibechana-15892	112	24	the	the	DET
bibechana-15892	112	25	reactions	reaction	NOUN
bibechana-15892	112	26	.	.	PUNCT
bibechana-15892	113	1	[	[	X
bibechana-15892	113	2	22	22	NUM
bibechana-15892	113	3	]	]	PUNCT
bibechana-15892	113	4	.	.	PUNCT
bibechana-15892	114	1	3.4	3.4	NUM
bibechana-15892	114	2	nonlinear	nonlinear	ADJ
bibechana-15892	114	3	optical	optical	ADJ
bibechana-15892	114	4	properties	property	NOUN
bibechana-15892	114	5	(	(	PUNCT
bibechana-15892	114	6	nlo	nlo	PROPN
bibechana-15892	114	7	)	)	PUNCT
bibechana-15892	114	8	nonlinear	nonlinear	ADJ
bibechana-15892	114	9	optics	optic	NOUN
bibechana-15892	114	10	(	(	PUNCT
bibechana-15892	114	11	nlo	nlo	PROPN
bibechana-15892	114	12	)	)	PUNCT
bibechana-15892	114	13	deals	deal	NOUN
bibechana-15892	114	14	with	with	ADP
bibechana-15892	114	15	the	the	DET
bibechana-15892	114	16	interactions	interaction	NOUN
bibechana-15892	114	17	of	of	ADP
bibechana-15892	114	18	applied	apply	VERB
bibechana-15892	114	19	magnetic	magnetic	ADJ
bibechana-15892	114	20	fields	field	NOUN
bibechana-15892	114	21	in	in	ADP
bibechana-15892	114	22	various	various	ADJ
bibechana-15892	114	23	materials	material	NOUN
bibechana-15892	114	24	to	to	PART
bibechana-15892	114	25	generate	generate	VERB
bibechana-15892	114	26	new	new	ADJ
bibechana-15892	114	27	magnetic	magnetic	ADJ
bibechana-15892	114	28	field	field	NOUN
bibechana-15892	114	29	altered	alter	VERB
bibechana-15892	114	30	in	in	ADP
bibechana-15892	114	31	phase	phase	NOUN
bibechana-15892	114	32	,	,	PUNCT
bibechana-15892	114	33	frequency	frequency	NOUN
bibechana-15892	114	34	,	,	PUNCT
bibechana-15892	114	35	amplitude	amplitude	NOUN
bibechana-15892	114	36	or	or	CCONJ
bibechana-15892	114	37	other	other	ADJ
bibechana-15892	114	38	physical	physical	ADJ
bibechana-15892	114	39	properties	property	NOUN
bibechana-15892	114	40	[	[	X
bibechana-15892	114	41	23	23	NUM
bibechana-15892	114	42	]	]	PUNCT
bibechana-15892	114	43	.	.	PUNCT
bibechana-15892	115	1	some	some	DET
bibechana-15892	115	2	organic	organic	ADJ
bibechana-15892	115	3	substances	substance	NOUN
bibechana-15892	115	4	with	with	ADP
bibechana-15892	115	5	𝜋	𝜋	NOUN
bibechana-15892	115	6	electronic	electronic	ADJ
bibechana-15892	115	7	system	system	NOUN
bibechana-15892	115	8	exhibit	exhibit	VERB
bibechana-15892	115	9	the	the	DET
bibechana-15892	115	10	largest	large	ADJ
bibechana-15892	115	11	known	know	VERB
bibechana-15892	115	12	nonlinear	nonlinear	ADJ
bibechana-15892	115	13	coefficients	coefficient	NOUN
bibechana-15892	115	14	and	and	CCONJ
bibechana-15892	115	15	show	show	VERB
bibechana-15892	115	16	promise	promise	NOUN
bibechana-15892	115	17	for	for	ADP
bibechana-15892	115	18	thin	thin	ADJ
bibechana-15892	115	19	fabrication	fabrication	NOUN
bibechana-15892	115	20	,	,	PUNCT
bibechana-15892	115	21	allowing	allow	VERB
bibechana-15892	115	22	the	the	DET
bibechana-15892	115	23	enormous	enormous	ADJ
bibechana-15892	115	24	function	function	NOUN
bibechana-15892	115	25	and	and	CCONJ
bibechana-15892	115	26	cost	cost	VERB
bibechana-15892	115	27	integrated	integrate	VERB
bibechana-15892	115	28	electronic	electronic	ADJ
bibechana-15892	115	29	circuitry	circuitry	NOUN
bibechana-15892	115	30	.	.	PUNCT
bibechana-15892	116	1	bhawani	bhawani	PROPN
bibechana-15892	116	2	dutt	dutt	PROPN
bibechana-15892	116	3	joshi	joshi	PROPN
bibechana-15892	116	4	/	/	SYM
bibechana-15892	116	5	bibechana	bibechana	PROPN
bibechana-15892	116	6	14	14	NUM
bibechana-15892	116	7	(	(	PUNCT
bibechana-15892	116	8	2017	2017	NUM
bibechana-15892	116	9	)	)	PUNCT
bibechana-15892	116	10	86	86	NUM
bibechana-15892	116	11	-	-	SYM
bibechana-15892	116	12	97	97	NUM
bibechana-15892	116	13	:	:	PUNCT
bibechana-15892	116	14	rcost	rcost	NOUN
bibechana-15892	116	15	p.94	p.94	NOUN
bibechana-15892	116	16	(	(	PUNCT
bibechana-15892	116	17	online	online	ADJ
bibechana-15892	116	18	publication	publication	NOUN
bibechana-15892	116	19	:	:	PUNCT
bibechana-15892	117	1	dec	dec	PROPN
bibechana-15892	117	2	.	.	PROPN
bibechana-15892	117	3	,	,	PUNCT
bibechana-15892	117	4	2016	2016	NUM
bibechana-15892	117	5	)	)	PUNCT
bibechana-15892	117	6	fig	fig	NOUN
bibechana-15892	117	7	.	.	PUNCT
bibechana-15892	118	1	3	3	NUM
bibechana-15892	118	2	:	:	PUNCT
bibechana-15892	118	3	correlation	correlation	NOUN
bibechana-15892	118	4	between	between	ADP
bibechana-15892	118	5	the	the	DET
bibechana-15892	118	6	thermodynamic	thermodynamic	ADJ
bibechana-15892	118	7	parameters	parameter	NOUN
bibechana-15892	118	8	with	with	ADP
bibechana-15892	118	9	the	the	DET
bibechana-15892	118	10	temperature	temperature	NOUN
bibechana-15892	118	11	.	.	PUNCT
bibechana-15892	119	1	table	table	NOUN
bibechana-15892	119	2	5(b	5(b	NUM
bibechana-15892	119	3	):	):	PUNCT
bibechana-15892	119	4	theoretically	theoretically	ADV
bibechana-15892	119	5	calculated	calculate	VERB
bibechana-15892	119	6	thermodynamic	thermodynamic	ADJ
bibechana-15892	119	7	properties	property	NOUN
bibechana-15892	119	8	at	at	ADP
bibechana-15892	119	9	room	room	NOUN
bibechana-15892	119	10	temperature	temperature	NOUN
bibechana-15892	119	11	using	use	VERB
bibechana-15892	119	12	6	6	NUM
bibechana-15892	119	13	-	-	SYM
bibechana-15892	119	14	311	311	NUM
bibechana-15892	119	15	g	g	NOUN
bibechana-15892	119	16	(	(	PUNCT
bibechana-15892	119	17	d	d	PROPN
bibechana-15892	119	18	,	,	PUNCT
bibechana-15892	119	19	p	p	NOUN
bibechana-15892	119	20	)	)	PUNCT
bibechana-15892	119	21	basis	basis	NOUN
bibechana-15892	119	22	set	set	NOUN
bibechana-15892	119	23	.	.	PUNCT
bibechana-15892	120	1	thermodynamic	thermodynamic	ADJ
bibechana-15892	120	2	properties	property	NOUN
bibechana-15892	120	3	dft	dft	PROPN
bibechana-15892	120	4	(	(	PUNCT
bibechana-15892	120	5	b3lyp	b3lyp	NOUN
bibechana-15892	120	6	)	)	PUNCT
bibechana-15892	120	7	hf	hf	ADP
bibechana-15892	120	8	total	total	ADJ
bibechana-15892	120	9	energy	energy	NOUN
bibechana-15892	120	10	(	(	PUNCT
bibechana-15892	120	11	ev	ev	INTJ
bibechana-15892	120	12	)	)	PUNCT
bibechana-15892	120	13	-30513.38103	-30513.38103	NOUN
bibechana-15892	120	14	-30336.08362	-30336.08362	VERB
bibechana-15892	120	15	zero	zero	NUM
bibechana-15892	120	16	-	-	PUNCT
bibechana-15892	120	17	point	point	NOUN
bibechana-15892	120	18	energy	energy	NOUN
bibechana-15892	120	19	(	(	PUNCT
bibechana-15892	120	20	kj	kj	PROPN
bibechana-15892	120	21	/	/	SYM
bibechana-15892	120	22	mol	mol	PROPN
bibechana-15892	120	23	)	)	PUNCT
bibechana-15892	120	24	142.05075	142.05075	NUM
bibechana-15892	120	25	151.82499	151.82499	NUM
bibechana-15892	120	26	rotational	rotational	ADJ
bibechana-15892	120	27	constants	constant	NOUN
bibechana-15892	120	28	(	(	PUNCT
bibechana-15892	120	29	ghz	ghz	NOUN
bibechana-15892	120	30	)	)	PUNCT
bibechana-15892	120	31	0.33647	0.33647	NUM
bibechana-15892	120	32	0.33647	0.33647	NUM
bibechana-15892	120	33	0.27097	0.27097	NUM
bibechana-15892	120	34	0.27097	0.27097	NUM
bibechana-15892	120	35	0.15671	0.15671	NUM
bibechana-15892	120	36	0.15671	0.15671	NUM
bibechana-15892	120	37	dipole	dipole	NOUN
bibechana-15892	120	38	moment	moment	NOUN
bibechana-15892	120	39	(	(	PUNCT
bibechana-15892	120	40	d	d	X
bibechana-15892	120	41	)	)	PUNCT
bibechana-15892	120	42	6.2937	6.2937	NUM
bibechana-15892	120	43	6.8561	6.8561	NUM
bibechana-15892	120	44	entropy	entropy	NOUN
bibechana-15892	120	45	(	(	PUNCT
bibechana-15892	120	46	j	j	PROPN
bibechana-15892	120	47	/	/	SYM
bibechana-15892	120	48	mol	mol	PROPN
bibechana-15892	120	49	-	-	PUNCT
bibechana-15892	120	50	k	k	NOUN
bibechana-15892	120	51	)	)	PUNCT
bibechana-15892	120	52	555.17088	555.17088	NUM
bibechana-15892	120	53	498.49426	498.49426	NUM
bibechana-15892	120	54	enthalpy	enthalpy	NOUN
bibechana-15892	120	55	(	(	PUNCT
bibechana-15892	120	56	kj	kj	PROPN
bibechana-15892	120	57	/	/	SYM
bibechana-15892	120	58	mol	mol	PROPN
bibechana-15892	120	59	)	)	PUNCT
bibechana-15892	120	60	638.80014	638.80014	NUM
bibechana-15892	120	61	673.31022	673.31022	NUM
bibechana-15892	120	62	specific	specific	ADJ
bibechana-15892	120	63	heat	heat	NOUN
bibechana-15892	120	64	(	(	PUNCT
bibechana-15892	120	65	j	j	PROPN
bibechana-15892	120	66	/	/	SYM
bibechana-15892	120	67	mol	mol	PROPN
bibechana-15892	120	68	-	-	PUNCT
bibechana-15892	120	69	k	k	NOUN
bibechana-15892	120	70	)	)	PUNCT
bibechana-15892	120	71	283.07796	283.07796	NUM
bibechana-15892	120	72	256.55586	256.55586	NUM
bibechana-15892	120	73	first	first	ADJ
bibechana-15892	120	74	hyperpolarizability	hyperpolarizability	NOUN
bibechana-15892	120	75	is	be	AUX
bibechana-15892	120	76	a	a	DET
bibechana-15892	120	77	third	third	ADJ
bibechana-15892	120	78	rank	rank	NOUN
bibechana-15892	120	79	tensor	tensor	NOUN
bibechana-15892	120	80	that	that	PRON
bibechana-15892	120	81	can	can	AUX
bibechana-15892	120	82	be	be	AUX
bibechana-15892	120	83	described	describe	VERB
bibechana-15892	120	84	by	by	ADP
bibechana-15892	120	85	a	a	DET
bibechana-15892	120	86	3×3×3	3×3×3	NUM
bibechana-15892	120	87	matrix	matrix	NOUN
bibechana-15892	120	88	.	.	PUNCT
bibechana-15892	121	1	the	the	DET
bibechana-15892	121	2	27	27	NUM
bibechana-15892	121	3	components	component	NOUN
bibechana-15892	121	4	of	of	ADP
bibechana-15892	121	5	the	the	DET
bibechana-15892	121	6	3d	3d	NOUN
bibechana-15892	121	7	-	-	PUNCT
bibechana-15892	121	8	matrix	matrix	NOUN
bibechana-15892	121	9	can	can	AUX
bibechana-15892	121	10	be	be	AUX
bibechana-15892	121	11	reduced	reduce	VERB
bibechana-15892	121	12	to	to	ADP
bibechana-15892	121	13	10	10	NUM
bibechana-15892	121	14	components	component	NOUN
bibechana-15892	121	15	due	due	ADP
bibechana-15892	121	16	to	to	ADP
bibechana-15892	121	17	the	the	DET
bibechana-15892	121	18	kleinmann	kleinmann	PROPN
bibechana-15892	121	19	symmetry	symmetry	NOUN
bibechana-15892	121	20	[	[	X
bibechana-15892	121	21	21	21	NUM
bibechana-15892	121	22	]	]	PUNCT
bibechana-15892	121	23	.	.	PUNCT
bibechana-15892	122	1	it	it	PRON
bibechana-15892	122	2	can	can	AUX
bibechana-15892	122	3	be	be	AUX
bibechana-15892	122	4	given	give	VERB
bibechana-15892	122	5	in	in	ADP
bibechana-15892	122	6	the	the	DET
bibechana-15892	122	7	lower	low	ADJ
bibechana-15892	122	8	tetrahedral	tetrahedral	ADJ
bibechana-15892	122	9	format	format	NOUN
bibechana-15892	122	10	.	.	PUNCT
bibechana-15892	123	1	it	it	PRON
bibechana-15892	123	2	is	be	AUX
bibechana-15892	123	3	obvious	obvious	ADJ
bibechana-15892	123	4	that	that	SCONJ
bibechana-15892	123	5	the	the	DET
bibechana-15892	123	6	lower	low	ADJ
bibechana-15892	123	7	part	part	NOUN
bibechana-15892	123	8	of	of	ADP
bibechana-15892	123	9	the	the	DET
bibechana-15892	123	10	3×3×3	3×3×3	NUM
bibechana-15892	123	11	matrix	matrix	NOUN
bibechana-15892	123	12	is	be	AUX
bibechana-15892	123	13	a	a	DET
bibechana-15892	123	14	tetrahedral	tetrahedral	ADJ
bibechana-15892	123	15	.	.	PUNCT
bibechana-15892	124	1	the	the	DET
bibechana-15892	124	2	components	component	NOUN
bibechana-15892	124	3	of	of	ADP
bibechana-15892	124	4	β0	β0	NOUN
bibechana-15892	124	5	are	be	AUX
bibechana-15892	124	6	defined	define	VERB
bibechana-15892	124	7	as	as	ADP
bibechana-15892	124	8	the	the	DET
bibechana-15892	124	9	coefficients	coefficient	NOUN
bibechana-15892	124	10	in	in	ADP
bibechana-15892	124	11	the	the	DET
bibechana-15892	124	12	taylor	taylor	PROPN
bibechana-15892	124	13	series	series	PROPN
bibechana-15892	124	14	expansion	expansion	NOUN
bibechana-15892	124	15	of	of	ADP
bibechana-15892	124	16	the	the	DET
bibechana-15892	124	17	bhawani	bhawani	ADJ
bibechana-15892	124	18	dutt	dutt	PROPN
bibechana-15892	124	19	joshi	joshi	PROPN
bibechana-15892	124	20	/	/	SYM
bibechana-15892	124	21	bibechana	bibechana	PROPN
bibechana-15892	124	22	14	14	NUM
bibechana-15892	124	23	(	(	PUNCT
bibechana-15892	124	24	2017	2017	NUM
bibechana-15892	124	25	)	)	PUNCT
bibechana-15892	124	26	86	86	NUM
bibechana-15892	124	27	-	-	SYM
bibechana-15892	124	28	97	97	NUM
bibechana-15892	124	29	:	:	PUNCT
bibechana-15892	124	30	rcost	rcost	NOUN
bibechana-15892	124	31	p.95	p.95	NOUN
bibechana-15892	124	32	(	(	PUNCT
bibechana-15892	124	33	online	online	ADJ
bibechana-15892	124	34	publication	publication	NOUN
bibechana-15892	124	35	:	:	PUNCT
bibechana-15892	124	36	dec	dec	PROPN
bibechana-15892	124	37	.	.	PROPN
bibechana-15892	124	38	,	,	PUNCT
bibechana-15892	124	39	2016	2016	NUM
bibechana-15892	124	40	)	)	PUNCT
bibechana-15892	124	41	energy	energy	NOUN
bibechana-15892	124	42	in	in	ADP
bibechana-15892	124	43	the	the	DET
bibechana-15892	124	44	external	external	ADJ
bibechana-15892	124	45	electric	electric	ADJ
bibechana-15892	124	46	field	field	NOUN
bibechana-15892	124	47	.	.	PUNCT
bibechana-15892	125	1	when	when	SCONJ
bibechana-15892	125	2	the	the	DET
bibechana-15892	125	3	external	external	ADJ
bibechana-15892	125	4	electric	electric	ADJ
bibechana-15892	125	5	field	field	NOUN
bibechana-15892	125	6	is	be	AUX
bibechana-15892	125	7	weak	weak	ADJ
bibechana-15892	125	8	and	and	CCONJ
bibechana-15892	125	9	homogeneous	homogeneous	ADJ
bibechana-15892	125	10	this	this	DET
bibechana-15892	125	11	expansion	expansion	NOUN
bibechana-15892	125	12	becomes	become	VERB
bibechana-15892	125	13	:	:	PUNCT
bibechana-15892	125	14	𝐸	𝐸	ADJ
bibechana-15892	125	15	=	=	PUNCT
bibechana-15892	125	16	𝐸0	𝐸0	NOUN
bibechana-15892	125	17	−	−	PROPN
bibechana-15892	125	18	μ𝑖𝐹𝑖	μ𝑖𝐹𝑖	NOUN
bibechana-15892	125	19	−	−	NOUN
bibechana-15892	125	20	1	1	NUM
bibechana-15892	125	21	2	2	NUM
bibechana-15892	125	22	α𝑖𝑗𝐹𝑖𝐹𝑗	α𝑖𝑗𝐹𝑖𝐹𝑗	NOUN
bibechana-15892	125	23	−	−	NOUN
bibechana-15892	125	24	1	1	NUM
bibechana-15892	125	25	6	6	NUM
bibechana-15892	125	26	β𝑖𝑗𝑘𝐹𝑖𝐹𝑗𝐹𝑘	β𝑖𝑗𝑘𝐹𝑖𝐹𝑗𝐹𝑘	PROPN
bibechana-15892	125	27	…	…	PUNCT
bibechana-15892	125	28	..	..	PUNCT
bibechana-15892	125	29	where	where	SCONJ
bibechana-15892	125	30	𝐸0	𝐸0	PROPN
bibechana-15892	125	31	is	be	AUX
bibechana-15892	125	32	the	the	DET
bibechana-15892	125	33	energy	energy	NOUN
bibechana-15892	125	34	of	of	ADP
bibechana-15892	125	35	the	the	DET
bibechana-15892	125	36	unperturbed	unperturbed	ADJ
bibechana-15892	125	37	molecules	molecule	NOUN
bibechana-15892	125	38	,	,	PUNCT
bibechana-15892	125	39	𝐹𝑖	𝐹𝑖	PROPN
bibechana-15892	125	40	is	be	AUX
bibechana-15892	125	41	the	the	DET
bibechana-15892	125	42	field	field	NOUN
bibechana-15892	125	43	at	at	ADP
bibechana-15892	125	44	the	the	DET
bibechana-15892	125	45	origin	origin	NOUN
bibechana-15892	125	46	and	and	CCONJ
bibechana-15892	125	47	μ𝑖	μ𝑖	NOUN
bibechana-15892	125	48	,	,	PUNCT
bibechana-15892	125	49	α𝑖𝑗	α𝑖𝑗	NUM
bibechana-15892	125	50	,	,	PUNCT
bibechana-15892	125	51	β𝑖𝑗𝑘	β𝑖𝑗𝑘	NOUN
bibechana-15892	125	52	are	be	AUX
bibechana-15892	125	53	the	the	DET
bibechana-15892	125	54	components	component	NOUN
bibechana-15892	125	55	of	of	ADP
bibechana-15892	125	56	dipole	dipole	NOUN
bibechana-15892	125	57	moment	moment	NOUN
bibechana-15892	125	58	,	,	PUNCT
bibechana-15892	125	59	polarizability	polarizability	NOUN
bibechana-15892	125	60	,	,	PUNCT
bibechana-15892	125	61	and	and	CCONJ
bibechana-15892	125	62	first	first	ADJ
bibechana-15892	125	63	hyperpolarizability	hyperpolarizability	NOUN
bibechana-15892	125	64	respectively	respectively	ADV
bibechana-15892	125	65	.	.	PUNCT
bibechana-15892	126	1	the	the	DET
bibechana-15892	126	2	total	total	ADJ
bibechana-15892	126	3	dipole	dipole	NOUN
bibechana-15892	126	4	moment	moment	NOUN
bibechana-15892	126	5	(	(	PUNCT
bibechana-15892	126	6	μ0	μ0	PROPN
bibechana-15892	126	7	)	)	PUNCT
bibechana-15892	126	8	,	,	PUNCT
bibechana-15892	126	9	the	the	DET
bibechana-15892	126	10	mean	mean	ADJ
bibechana-15892	126	11	polarizability	polarizability	NOUN
bibechana-15892	126	12	(	(	PUNCT
bibechana-15892	126	13	|α0|	|α0|	NOUN
bibechana-15892	126	14	)	)	PUNCT
bibechana-15892	126	15	,	,	PUNCT
bibechana-15892	126	16	the	the	DET
bibechana-15892	126	17	anisotropy	anisotropy	NOUN
bibechana-15892	126	18	of	of	ADP
bibechana-15892	126	19	the	the	DET
bibechana-15892	126	20	polarizability	polarizability	NOUN
bibechana-15892	126	21	(	(	PUNCT
bibechana-15892	126	22	∆α	∆α	PROPN
bibechana-15892	126	23	)	)	PUNCT
bibechana-15892	126	24	and	and	CCONJ
bibechana-15892	126	25	the	the	DET
bibechana-15892	126	26	total	total	ADJ
bibechana-15892	126	27	first	first	ADJ
bibechana-15892	126	28	hyperpolarizability	hyperpolarizability	NOUN
bibechana-15892	126	29	(	(	PUNCT
bibechana-15892	126	30	β0	β0	NOUN
bibechana-15892	126	31	)	)	PUNCT
bibechana-15892	126	32	using	use	VERB
bibechana-15892	126	33	x	x	SYM
bibechana-15892	126	34	,	,	PUNCT
bibechana-15892	126	35	y	y	PROPN
bibechana-15892	126	36	,	,	PUNCT
bibechana-15892	126	37	z	z	NOUN
bibechana-15892	126	38	components	component	NOUN
bibechana-15892	126	39	are	be	AUX
bibechana-15892	126	40	defined	define	VERB
bibechana-15892	126	41	as	as	ADP
bibechana-15892	126	42	[	[	X
bibechana-15892	126	43	24	24	NUM
bibechana-15892	126	44	]	]	X
bibechana-15892	126	45	:	:	PUNCT
bibechana-15892	126	46	𝜇	𝜇	ADP
bibechana-15892	126	47	=	=	X
bibechana-15892	126	48	(	(	PUNCT
bibechana-15892	126	49	𝜇𝑥	𝜇𝑥	PROPN
bibechana-15892	126	50	2	2	NUM
bibechana-15892	126	51	+	+	CCONJ
bibechana-15892	126	52	𝜇𝑦	𝜇𝑦	ADV
bibechana-15892	126	53	2	2	NUM
bibechana-15892	126	54	+	+	CCONJ
bibechana-15892	126	55	𝜇𝑧	𝜇𝑧	ADP
bibechana-15892	126	56	2	2	NUM
bibechana-15892	126	57	)	)	PUNCT
bibechana-15892	126	58	1	1	NUM
bibechana-15892	126	59	2⁄	2⁄	NUM
bibechana-15892	126	60	(	(	PUNCT
bibechana-15892	126	61	15	15	NUM
bibechana-15892	126	62	)	)	PUNCT
bibechana-15892	126	63	|α0|	|α0|	NOUN
bibechana-15892	126	64	=	=	SYM
bibechana-15892	126	65	1	1	NUM
bibechana-15892	126	66	3	3	NUM
bibechana-15892	126	67	(	(	PUNCT
bibechana-15892	126	68	α𝑥𝑥	α𝑥𝑥	NOUN
bibechana-15892	126	69	+	+	CCONJ
bibechana-15892	126	70	α𝑦𝑦	α𝑦𝑦	PROPN
bibechana-15892	126	71	+	+	CCONJ
bibechana-15892	126	72	α𝑧𝑧	α𝑧𝑧	NUM
bibechana-15892	126	73	)	)	PUNCT
bibechana-15892	126	74	(	(	PUNCT
bibechana-15892	126	75	16	16	X
bibechana-15892	126	76	)	)	PUNCT
bibechana-15892	126	77	∆α	∆α	NOUN
bibechana-15892	126	78	=	=	SYM
bibechana-15892	127	1	2−1/2	2−1/2	NUM
bibechana-15892	128	1	[	[	X
bibechana-15892	128	2	(	(	PUNCT
bibechana-15892	128	3	α𝑥𝑥	α𝑥𝑥	INTJ
bibechana-15892	128	4	−	−	PROPN
bibechana-15892	128	5	α𝑦𝑦	α𝑦𝑦	NOUN
bibechana-15892	128	6	)	)	PUNCT
bibechana-15892	128	7	2	2	NUM
bibechana-15892	128	8	+	+	CCONJ
bibechana-15892	128	9	(	(	PUNCT
bibechana-15892	128	10	α𝑦𝑦	α𝑦𝑦	INTJ
bibechana-15892	128	11	−	−	PROPN
bibechana-15892	128	12	α𝑧𝑧	α𝑧𝑧	ADJ
bibechana-15892	128	13	)	)	PUNCT
bibechana-15892	128	14	2	2	NUM
bibechana-15892	128	15	+	+	CCONJ
bibechana-15892	128	16	(	(	PUNCT
bibechana-15892	128	17	α𝑧𝑧	α𝑧𝑧	ADV
bibechana-15892	128	18	−	−	PROPN
bibechana-15892	129	1	α𝑥𝑥)2	α𝑥𝑥)2	PROPN
bibechana-15892	130	1	+	+	CCONJ
bibechana-15892	130	2	6α𝑥𝑥	6α𝑥𝑥	NOUN
bibechana-15892	130	3	2	2	NUM
bibechana-15892	130	4	]	]	SYM
bibechana-15892	130	5	1/2	1/2	NUM
bibechana-15892	130	6	(	(	PUNCT
bibechana-15892	130	7	17	17	NUM
bibechana-15892	130	8	)	)	PUNCT
bibechana-15892	130	9	β0	β0	NOUN
bibechana-15892	130	10	=	=	PUNCT
bibechana-15892	131	1	(	(	PUNCT
bibechana-15892	131	2	β𝑥	β𝑥	ADP
bibechana-15892	131	3	2	2	NUM
bibechana-15892	131	4	+	+	CCONJ
bibechana-15892	131	5	β𝑦	β𝑦	ADP
bibechana-15892	131	6	2	2	NUM
bibechana-15892	131	7	+	+	CCONJ
bibechana-15892	131	8	βz	βz	ADP
bibechana-15892	131	9	2	2	NUM
bibechana-15892	131	10	)	)	PUNCT
bibechana-15892	131	11	1/2	1/2	NUM
bibechana-15892	131	12	(	(	PUNCT
bibechana-15892	131	13	18	18	NUM
bibechana-15892	131	14	)	)	PUNCT
bibechana-15892	131	15	where	where	SCONJ
bibechana-15892	131	16	β𝑥	β𝑥	NOUN
bibechana-15892	131	17	=	=	SYM
bibechana-15892	131	18	β𝑥𝑥𝑥	β𝑥𝑥𝑥	VERB
bibechana-15892	131	19	+	+	CCONJ
bibechana-15892	131	20	β𝑥𝑦𝑦	β𝑥𝑦𝑦	VERB
bibechana-15892	131	21	+	+	X
bibechana-15892	131	22	β𝑥𝑧𝑧	β𝑥𝑧𝑧	NOUN
bibechana-15892	132	1	β𝑦	β𝑦	ADP
bibechana-15892	132	2	=	=	SYM
bibechana-15892	132	3	β𝑦𝑦𝑦	β𝑦𝑦𝑦	PROPN
bibechana-15892	133	1	+	+	CCONJ
bibechana-15892	133	2	β𝑥𝑥𝑦	β𝑥𝑥𝑦	NOUN
bibechana-15892	133	3	+	+	NUM
bibechana-15892	133	4	β𝑦𝑧𝑧	β𝑦𝑧𝑧	NOUN
bibechana-15892	133	5	β𝑧	β𝑧	PROPN
bibechana-15892	133	6	=	=	SYM
bibechana-15892	133	7	β𝑧𝑧𝑧	β𝑧𝑧𝑧	PROPN
bibechana-15892	134	1	+	+	CCONJ
bibechana-15892	134	2	β𝑥𝑥𝑧	β𝑥𝑥𝑧	NOUN
bibechana-15892	134	3	+	+	X
bibechana-15892	134	4	β𝑦𝑦𝑧	β𝑦𝑦𝑧	NOUN
bibechana-15892	134	5	since	since	SCONJ
bibechana-15892	134	6	the	the	DET
bibechana-15892	134	7	x	x	PROPN
bibechana-15892	134	8	,	,	PUNCT
bibechana-15892	134	9	y	y	PROPN
bibechana-15892	134	10	,	,	PUNCT
bibechana-15892	134	11	z	z	NOUN
bibechana-15892	134	12	components	component	NOUN
bibechana-15892	134	13	of	of	ADP
bibechana-15892	134	14	|α0|	|α0|	NOUN
bibechana-15892	134	15	,	,	PUNCT
bibechana-15892	134	16	∆α	∆α	PROPN
bibechana-15892	134	17	and	and	CCONJ
bibechana-15892	134	18	β0	β0	NOUN
bibechana-15892	134	19	of	of	ADP
bibechana-15892	134	20	gaussian	gaussian	ADJ
bibechana-15892	134	21	09	09	NUM
bibechana-15892	134	22	output	output	NOUN
bibechana-15892	134	23	are	be	AUX
bibechana-15892	134	24	reported	report	VERB
bibechana-15892	134	25	in	in	ADP
bibechana-15892	134	26	a	a	DET
bibechana-15892	134	27	atomic	atomic	ADJ
bibechana-15892	134	28	mass	mass	NOUN
bibechana-15892	134	29	unit	unit	NOUN
bibechana-15892	134	30	(	(	PUNCT
bibechana-15892	134	31	a.u	a.u	PROPN
bibechana-15892	134	32	.	.	PROPN
bibechana-15892	134	33	)	)	PUNCT
bibechana-15892	134	34	,	,	PUNCT
bibechana-15892	134	35	the	the	DET
bibechana-15892	134	36	calculated	calculate	VERB
bibechana-15892	134	37	values	value	NOUN
bibechana-15892	134	38	have	have	AUX
bibechana-15892	134	39	been	be	AUX
bibechana-15892	134	40	converted	convert	VERB
bibechana-15892	134	41	into	into	ADP
bibechana-15892	134	42	electrostatic	electrostatic	ADJ
bibechana-15892	134	43	unit	unit	NOUN
bibechana-15892	134	44	(	(	PUNCT
bibechana-15892	134	45	esu	esu	NOUN
bibechana-15892	134	46	)	)	PUNCT
bibechana-15892	134	47	(	(	PUNCT
bibechana-15892	134	48	for	for	ADP
bibechana-15892	134	49	|α0|	|α0|	NOUN
bibechana-15892	134	50	:	:	PUNCT
bibechana-15892	134	51	1	1	NUM
bibechana-15892	134	52	a.u	a.u	NOUN
bibechana-15892	134	53	.	.	PUNCT
bibechana-15892	135	1	=	=	SYM
bibechana-15892	135	2	0.1482	0.1482	NUM
bibechana-15892	135	3	×	×	NOUN
bibechana-15892	135	4	10−24	10−24	PROPN
bibechana-15892	135	5	esu	esu	NOUN
bibechana-15892	135	6	;	;	PUNCT
bibechana-15892	135	7	for	for	ADP
bibechana-15892	135	8	β0	β0	NOUN
bibechana-15892	135	9	:	:	PUNCT
bibechana-15892	135	10	1	1	NUM
bibechana-15892	135	11	a.u	a.u	NOUN
bibechana-15892	135	12	.	.	PUNCT
bibechana-15892	136	1	=	=	NOUN
bibechana-15892	136	2	0.086393	0.086393	NUM
bibechana-15892	136	3	×	×	NOUN
bibechana-15892	136	4	10−31	10−31	PROPN
bibechana-15892	136	5	esu	esu	NOUN
bibechana-15892	136	6	)	)	PUNCT
bibechana-15892	136	7	and	and	CCONJ
bibechana-15892	136	8	listed	list	VERB
bibechana-15892	136	9	in	in	ADP
bibechana-15892	136	10	the	the	DET
bibechana-15892	136	11	table	table	NOUN
bibechana-15892	136	12	6	6	NUM
bibechana-15892	136	13	.	.	PUNCT
bibechana-15892	137	1	the	the	DET
bibechana-15892	137	2	high	high	ADJ
bibechana-15892	137	3	value	value	NOUN
bibechana-15892	137	4	of	of	ADP
bibechana-15892	137	5	β0	β0	NOUN
bibechana-15892	137	6	,	,	PUNCT
bibechana-15892	137	7	one	one	NUM
bibechana-15892	137	8	of	of	ADP
bibechana-15892	137	9	the	the	DET
bibechana-15892	137	10	key	key	ADJ
bibechana-15892	137	11	factors	factor	NOUN
bibechana-15892	137	12	in	in	ADP
bibechana-15892	137	13	an	an	DET
bibechana-15892	137	14	nlo	nlo	PROPN
bibechana-15892	137	15	system	system	NOUN
bibechana-15892	137	16	,	,	PUNCT
bibechana-15892	137	17	supports	support	VERB
bibechana-15892	137	18	that	that	SCONJ
bibechana-15892	137	19	the	the	DET
bibechana-15892	137	20	investigated	investigate	VERB
bibechana-15892	137	21	molecule	molecule	NOUN
bibechana-15892	137	22	will	will	AUX
bibechana-15892	137	23	show	show	VERB
bibechana-15892	137	24	good	good	ADJ
bibechana-15892	137	25	nlo	nlo	PROPN
bibechana-15892	137	26	response	response	NOUN
bibechana-15892	137	27	.	.	PUNCT
bibechana-15892	138	1	table	table	NOUN
bibechana-15892	138	2	6	6	NUM
bibechana-15892	138	3	:	:	PUNCT
bibechana-15892	138	4	dipolemoment	dipolemoment	NOUN
bibechana-15892	138	5	(	(	PUNCT
bibechana-15892	138	6	µ	µ	X
bibechana-15892	138	7	debye	debye	ADJ
bibechana-15892	138	8	)	)	PUNCT
bibechana-15892	138	9	,	,	PUNCT
bibechana-15892	138	10	polarizability	polarizability	NOUN
bibechana-15892	138	11	(	(	PUNCT
bibechana-15892	138	12	α	α	NOUN
bibechana-15892	138	13	x10	x10	NOUN
bibechana-15892	138	14	-	-	PUNCT
bibechana-15892	138	15	24esu	24esu	NOUN
bibechana-15892	138	16	)	)	PUNCT
bibechana-15892	138	17	and	and	CCONJ
bibechana-15892	138	18	first	first	ADJ
bibechana-15892	138	19	order	order	NOUN
bibechana-15892	138	20	hyperpolarizability	hyperpolarizability	NOUN
bibechana-15892	138	21	(	(	PUNCT
bibechana-15892	138	22	β0	β0	NOUN
bibechana-15892	138	23	x10	x10	NOUN
bibechana-15892	138	24	-	-	PUNCT
bibechana-15892	138	25	31esu	31esu	NOUN
bibechana-15892	138	26	)	)	PUNCT
bibechana-15892	138	27	.	.	PUNCT
bibechana-15892	139	1	dipole	dipole	NOUN
bibechana-15892	139	2	moment	moment	NOUN
bibechana-15892	139	3	polarizability	polarizability	NOUN
bibechana-15892	139	4	hyperpolarizability	hyperpolarizability	NOUN
bibechana-15892	139	5	dft	dft	PROPN
bibechana-15892	139	6	hf	hf	PROPN
bibechana-15892	139	7	dft	dft	PROPN
bibechana-15892	139	8	hf	hf	PROPN
bibechana-15892	139	9	dft	dft	PROPN
bibechana-15892	139	10	hf	hf	PROPN
bibechana-15892	139	11	μ𝑥	μ𝑥	PROPN
bibechana-15892	139	12	-5.2839	-5.2839	PROPN
bibechana-15892	139	13	-5.2243	-5.2243	PROPN
bibechana-15892	140	1	α𝑥𝑥	α𝑥𝑥	INTJ
bibechana-15892	140	2	-119.1408	-119.1408	PUNCT
bibechana-15892	140	3	-118.3740	-118.3740	ADP
bibechana-15892	140	4	β𝑥𝑥𝑥	β𝑥𝑥𝑥	NOUN
bibechana-15892	140	5	27.3548	27.3548	NUM
bibechana-15892	140	6	31.7449	31.7449	NUM
bibechana-15892	140	7	μ𝑦	μ𝑦	ADP
bibechana-15892	140	8	4.0465	4.0465	NUM
bibechana-15892	140	9	3.7945	3.7945	NUM
bibechana-15892	140	10	α𝑦𝑦	α𝑦𝑦	NOUN
bibechana-15892	140	11	-121.7131	-121.7131	PRON
bibechana-15892	140	12	-122.2665	-122.2665	PROPN
bibechana-15892	140	13	β𝑦𝑦𝑦	β𝑦𝑦𝑦	ADJ
bibechana-15892	140	14	53.8593	53.8593	NUM
bibechana-15892	140	15	47.8559	47.8559	NUM
bibechana-15892	141	1	μ𝑧	μ𝑧	ADP
bibechana-15892	141	2	0.1350	0.1350	NUM
bibechana-15892	141	3	0.2183	0.2183	NUM
bibechana-15892	141	4	α𝑧𝑧	α𝑧𝑧	NOUN
bibechana-15892	141	5	-136.8908	-136.8908	NUM
bibechana-15892	141	6	-138.6496	-138.6496	NUM
bibechana-15892	141	7	β𝑧𝑧𝑧	β𝑧𝑧𝑧	PROPN
bibechana-15892	141	8	5.8486	5.8486	NUM
bibechana-15892	141	9	6.4994	6.4994	NUM
bibechana-15892	141	10	μ0	μ0	PROPN
bibechana-15892	141	11	6.6567	6.6567	NUM
bibechana-15892	141	12	6.4607	6.4607	NUM
bibechana-15892	141	13	α𝑥𝑦	α𝑥𝑦	NOUN
bibechana-15892	141	14	10.6612	10.6612	NUM
bibechana-15892	141	15	12.0501	12.0501	NUM
bibechana-15892	141	16	β𝑥𝑦𝑦	β𝑥𝑦𝑦	X
bibechana-15892	141	17	-71.5489	-71.5489	SYM
bibechana-15892	141	18	-71.1348	-71.1348	PUNCT
bibechana-15892	141	19	α𝑥𝑧	α𝑥𝑧	PROPN
bibechana-15892	141	20	-2.7854	-2.7854	NOUN
bibechana-15892	141	21	-2.4720	-2.4720	NOUN
bibechana-15892	141	22	β𝑥𝑥𝑦	β𝑥𝑥𝑦	ADP
bibechana-15892	141	23	37.2794	37.2794	NUM
bibechana-15892	141	24	38.8391	38.8391	NUM
bibechana-15892	141	25	α𝑦𝑧	α𝑦𝑧	NUM
bibechana-15892	141	26	0.7627	0.7627	NUM
bibechana-15892	141	27	0.7135	0.7135	NUM
bibechana-15892	141	28	β𝑥𝑥𝑧	β𝑥𝑥𝑧	NOUN
bibechana-15892	141	29	-17.6840	-17.6840	X
bibechana-15892	141	30	-16.7678	-16.7678	PUNCT
bibechana-15892	141	31	|α0|	|α0|	NOUN
bibechana-15892	141	32	-125.9149	-125.9149	NOUN
bibechana-15892	141	33	-126.4300	-126.4300	NOUN
bibechana-15892	141	34	β𝑥𝑧𝑧	β𝑥𝑧𝑧	VERB
bibechana-15892	141	35	7.6975	7.6975	NUM
bibechana-15892	141	36	8.5779	8.5779	NUM
bibechana-15892	141	37	∆α	∆α	PROPN
bibechana-15892	141	38	207.6443	207.6443	NUM
bibechana-15892	141	39	206.4903	206.4903	NUM
bibechana-15892	141	40	β𝑦𝑧𝑧	β𝑦𝑧𝑧	NOUN
bibechana-15892	141	41	16.6563	16.6563	NUM
bibechana-15892	141	42	18.0840	18.0840	NUM
bibechana-15892	141	43	30.7314	30.7314	NUM
bibechana-15892	141	44	30.5606	30.5606	NUM
bibechana-15892	141	45	β𝑦𝑦𝑧	β𝑦𝑦𝑧	NOUN
bibechana-15892	141	46	8.8145	8.8145	NUM
bibechana-15892	141	47	9.7722	9.7722	NUM
bibechana-15892	141	48	β𝑥𝑦𝑧	β𝑥𝑦𝑧	NOUN
bibechana-15892	141	49	-9.5344	-9.5344	NOUN
bibechana-15892	141	50	-10.3423	-10.3423	PUNCT
bibechana-15892	141	51	β0	β0	PROPN
bibechana-15892	141	52	9.8355	9.8355	NUM
bibechana-15892	141	53	9.4355	9.4355	NUM
bibechana-15892	141	54	4	4	NUM
bibechana-15892	141	55	.	.	PUNCT
bibechana-15892	142	1	conclusion	conclusion	NOUN
bibechana-15892	142	2	computational	computational	ADJ
bibechana-15892	142	3	study	study	NOUN
bibechana-15892	142	4	proves	prove	VERB
bibechana-15892	142	5	that	that	SCONJ
bibechana-15892	142	6	nbo	nbo	PROPN
bibechana-15892	142	7	analysis	analysis	NOUN
bibechana-15892	142	8	and	and	CCONJ
bibechana-15892	142	9	nlo	nlo	NOUN
bibechana-15892	142	10	properties	property	NOUN
bibechana-15892	142	11	of	of	ADP
bibechana-15892	142	12	the	the	DET
bibechana-15892	142	13	investigated	investigate	VERB
bibechana-15892	142	14	molecule	molecule	NOUN
bibechana-15892	142	15	are	be	AUX
bibechana-15892	142	16	successfully	successfully	ADV
bibechana-15892	142	17	predicted	predict	VERB
bibechana-15892	142	18	by	by	ADP
bibechana-15892	142	19	the	the	DET
bibechana-15892	142	20	b3lyp/6	b3lyp/6	NOUN
bibechana-15892	142	21	-	-	PROPN
bibechana-15892	142	22	311	311	NUM
bibechana-15892	142	23	g	g	NOUN
bibechana-15892	142	24	(	(	PUNCT
bibechana-15892	142	25	d	d	PROPN
bibechana-15892	142	26	,	,	PUNCT
bibechana-15892	142	27	p	p	NOUN
bibechana-15892	142	28	)	)	PUNCT
bibechana-15892	142	29	method	method	NOUN
bibechana-15892	142	30	.	.	PUNCT
bibechana-15892	143	1	the	the	DET
bibechana-15892	143	2	𝜋	𝜋	NOUN
bibechana-15892	143	3	→	→	SYM
bibechana-15892	143	4	𝜋	𝜋	NOUN
bibechana-15892	143	5	*	*	NOUN
bibechana-15892	143	6	interactions	interaction	NOUN
bibechana-15892	143	7	are	be	AUX
bibechana-15892	143	8	responsible	responsible	ADJ
bibechana-15892	143	9	for	for	ADP
bibechana-15892	143	10	bhawani	bhawani	PROPN
bibechana-15892	143	11	dutt	dutt	PROPN
bibechana-15892	143	12	joshi	joshi	PROPN
bibechana-15892	143	13	/	/	SYM
bibechana-15892	143	14	bibechana	bibechana	PROPN
bibechana-15892	143	15	14	14	NUM
bibechana-15892	143	16	(	(	PUNCT
bibechana-15892	143	17	2017	2017	NUM
bibechana-15892	143	18	)	)	PUNCT
bibechana-15892	143	19	86	86	NUM
bibechana-15892	143	20	-	-	SYM
bibechana-15892	143	21	97	97	NUM
bibechana-15892	143	22	:	:	PUNCT
bibechana-15892	143	23	rcost	rcost	NOUN
bibechana-15892	143	24	p.96	p.96	PROPN
bibechana-15892	143	25	(	(	PUNCT
bibechana-15892	143	26	online	online	ADJ
bibechana-15892	143	27	publication	publication	NOUN
bibechana-15892	143	28	:	:	PUNCT
bibechana-15892	143	29	dec	dec	PROPN
bibechana-15892	143	30	.	.	PROPN
bibechana-15892	143	31	,	,	PUNCT
bibechana-15892	143	32	2016	2016	NUM
bibechana-15892	143	33	)	)	PUNCT
bibechana-15892	143	34	the	the	DET
bibechana-15892	143	35	conjugation	conjugation	NOUN
bibechana-15892	143	36	of	of	ADP
bibechana-15892	143	37	respective	respective	ADJ
bibechana-15892	143	38	𝜋-bonds	𝜋-bond	NOUN
bibechana-15892	143	39	within	within	ADP
bibechana-15892	143	40	aromatic	aromatic	ADJ
bibechana-15892	143	41	rings	ring	NOUN
bibechana-15892	143	42	,	,	PUNCT
bibechana-15892	143	43	rings	ring	NOUN
bibechana-15892	143	44	and	and	CCONJ
bibechana-15892	143	45	c	c	NOUN
bibechana-15892	143	46	=	=	SYM
bibechana-15892	143	47	o	o	NOUN
bibechana-15892	143	48	,	,	PUNCT
bibechana-15892	143	49	no2	no2	NOUN
bibechana-15892	143	50	groups	group	NOUN
bibechana-15892	143	51	,	,	PUNCT
bibechana-15892	143	52	which	which	PRON
bibechana-15892	143	53	stabilized	stabilize	VERB
bibechana-15892	143	54	the	the	DET
bibechana-15892	143	55	molecule	molecule	NOUN
bibechana-15892	143	56	with	with	ADP
bibechana-15892	143	57	maximum	maximum	ADJ
bibechana-15892	143	58	energy	energy	NOUN
bibechana-15892	143	59	~	~	PUNCT
bibechana-15892	143	60	21.06	21.06	NUM
bibechana-15892	143	61	,	,	PUNCT
bibechana-15892	143	62	17.24	17.24	NUM
bibechana-15892	143	63	and	and	CCONJ
bibechana-15892	143	64	16.48	16.48	NUM
bibechana-15892	143	65	kcal	kcal	PROPN
bibechana-15892	143	66	/	/	SYM
bibechana-15892	143	67	mol	mol	PROPN
bibechana-15892	143	68	,	,	PUNCT
bibechana-15892	143	69	respectively	respectively	ADV
bibechana-15892	143	70	.	.	PUNCT
bibechana-15892	144	1	the	the	DET
bibechana-15892	144	2	electron	electron	NOUN
bibechana-15892	144	3	donation	donation	NOUN
bibechana-15892	144	4	related	relate	VERB
bibechana-15892	144	5	to	to	ADP
bibechana-15892	144	6	the	the	DET
bibechana-15892	144	7	resonance	resonance	NOUN
bibechana-15892	144	8	interaction	interaction	NOUN
bibechana-15892	144	9	in	in	ADP
bibechana-15892	144	10	the	the	DET
bibechana-15892	144	11	molecule	molecule	NOUN
bibechana-15892	144	12	is	be	AUX
bibechana-15892	144	13	mainly	mainly	ADV
bibechana-15892	144	14	confined	confine	VERB
bibechana-15892	144	15	between	between	ADP
bibechana-15892	144	16	the	the	DET
bibechana-15892	144	17	rings	ring	NOUN
bibechana-15892	144	18	and	and	CCONJ
bibechana-15892	144	19	the	the	DET
bibechana-15892	144	20	lone	lone	ADJ
bibechana-15892	144	21	pair	pair	NOUN
bibechana-15892	144	22	groups	group	NOUN
bibechana-15892	144	23	leading	lead	VERB
bibechana-15892	144	24	to	to	ADP
bibechana-15892	144	25	the	the	DET
bibechana-15892	144	26	maximum	maximum	ADJ
bibechana-15892	144	27	energy	energy	NOUN
bibechana-15892	144	28	168.74	168.74	NUM
bibechana-15892	144	29	kcal	kcal	NOUN
bibechana-15892	144	30	/	/	SYM
bibechana-15892	144	31	mol	mol	PROPN
bibechana-15892	144	32	.	.	PUNCT
bibechana-15892	145	1	the	the	DET
bibechana-15892	145	2	calculated	calculate	VERB
bibechana-15892	145	3	high	high	ADJ
bibechana-15892	145	4	value	value	NOUN
bibechana-15892	145	5	of	of	ADP
bibechana-15892	145	6	electrofilicity	electrofilicity	NOUN
bibechana-15892	145	7	index	index	NOUN
bibechana-15892	145	8	(	(	PUNCT
bibechana-15892	145	9	ω	ω	NOUN
bibechana-15892	145	10	)	)	PUNCT
bibechana-15892	145	11	is	be	AUX
bibechana-15892	145	12	in	in	ADP
bibechana-15892	145	13	agreement	agreement	NOUN
bibechana-15892	145	14	that	that	PRON
bibechana-15892	145	15	the	the	DET
bibechana-15892	145	16	molecule	molecule	NOUN
bibechana-15892	145	17	behaves	behave	VERB
bibechana-15892	145	18	as	as	ADP
bibechana-15892	145	19	a	a	DET
bibechana-15892	145	20	global	global	ADJ
bibechana-15892	145	21	electrophile	electrophile	NOUN
bibechana-15892	145	22	.	.	PUNCT
bibechana-15892	146	1	the	the	DET
bibechana-15892	146	2	compound	compound	NOUN
bibechana-15892	146	3	exhibits	exhibit	VERB
bibechana-15892	146	4	strong	strong	ADJ
bibechana-15892	146	5	effective	effective	ADJ
bibechana-15892	146	6	ict	ict	NOUN
bibechana-15892	146	7	due	due	ADP
bibechana-15892	146	8	to	to	ADP
bibechana-15892	146	9	the	the	DET
bibechana-15892	146	10	movement	movement	NOUN
bibechana-15892	146	11	of	of	ADP
bibechana-15892	146	12	the	the	DET
bibechana-15892	146	13	𝜋-electron	𝜋-electron	PROPN
bibechana-15892	146	14	cloud	cloud	NOUN
bibechana-15892	146	15	from	from	ADP
bibechana-15892	146	16	donor	donor	NOUN
bibechana-15892	146	17	to	to	ADP
bibechana-15892	146	18	acceptor	acceptor	NOUN
bibechana-15892	146	19	and	and	CCONJ
bibechana-15892	146	20	shows	show	VERB
bibechana-15892	146	21	second	second	ADJ
bibechana-15892	146	22	-	-	PUNCT
bibechana-15892	146	23	order	order	NOUN
bibechana-15892	146	24	nonlinearity	nonlinearity	NOUN
bibechana-15892	146	25	.	.	PUNCT
bibechana-15892	147	1	the	the	DET
bibechana-15892	147	2	value	value	NOUN
bibechana-15892	147	3	of	of	ADP
bibechana-15892	147	4	first	first	ADJ
bibechana-15892	147	5	order	order	NOUN
bibechana-15892	147	6	hyperpolarisability	hyperpolarisability	NOUN
bibechana-15892	147	7	(	(	PUNCT
bibechana-15892	147	8	β0	β0	NOUN
bibechana-15892	147	9	)	)	PUNCT
bibechana-15892	147	10	shows	show	VERB
bibechana-15892	147	11	that	that	SCONJ
bibechana-15892	147	12	the	the	DET
bibechana-15892	147	13	title	title	NOUN
bibechana-15892	147	14	molecule	molecule	NOUN
bibechana-15892	147	15	can	can	AUX
bibechana-15892	147	16	be	be	AUX
bibechana-15892	147	17	used	use	VERB
bibechana-15892	147	18	as	as	ADP
bibechana-15892	147	19	an	an	DET
bibechana-15892	147	20	attractive	attractive	ADJ
bibechana-15892	147	21	material	material	NOUN
bibechana-15892	147	22	for	for	ADP
bibechana-15892	147	23	nlo	nlo	PROPN
bibechana-15892	147	24	applications	application	NOUN
bibechana-15892	147	25	.	.	PUNCT
bibechana-15892	148	1	acknowledgements	acknowledgement	NOUN
bibechana-15892	148	2	we	we	PRON
bibechana-15892	148	3	acknowledge	acknowledge	VERB
bibechana-15892	148	4	to	to	PART
bibechana-15892	148	5	prof	prof	PROPN
bibechana-15892	148	6	.	.	PUNCT
bibechana-15892	149	1	poonam	poonam	PROPN
bibechana-15892	149	2	tandon	tandon	PROPN
bibechana-15892	149	3	,	,	PUNCT
bibechana-15892	149	4	macromolecular	macromolecular	PROPN
bibechana-15892	149	5	research	research	NOUN
bibechana-15892	149	6	laboratory	laboratory	NOUN
bibechana-15892	149	7	,	,	PUNCT
bibechana-15892	149	8	university	university	NOUN
bibechana-15892	149	9	of	of	ADP
bibechana-15892	149	10	lucknow	lucknow	PROPN
bibechana-15892	149	11	,	,	PUNCT
bibechana-15892	149	12	india	india	PROPN
bibechana-15892	149	13	for	for	ADP
bibechana-15892	149	14	providing	provide	VERB
bibechana-15892	149	15	facility	facility	NOUN
bibechana-15892	149	16	of	of	ADP
bibechana-15892	149	17	the	the	DET
bibechana-15892	149	18	gaussian	gaussian	ADJ
bibechana-15892	149	19	09	09	NUM
bibechana-15892	149	20	calculations	calculation	NOUN
bibechana-15892	149	21	.	.	PUNCT
bibechana-15892	150	1	also	also	ADV
bibechana-15892	150	2	,	,	PUNCT
bibechana-15892	150	3	thanks	thank	NOUN
bibechana-15892	150	4	are	be	AUX
bibechana-15892	150	5	to	to	ADP
bibechana-15892	150	6	cnpq	cnpq	NOUN
bibechana-15892	150	7	-	-	PUNCT
bibechana-15892	150	8	twas	twas	PROPN
bibechana-15892	150	9	fellowship	fellowship	NOUN
bibechana-15892	150	10	program	program	NOUN
bibechana-15892	150	11	for	for	ADP
bibechana-15892	150	12	financial	financial	ADJ
bibechana-15892	150	13	support	support	NOUN
bibechana-15892	150	14	to	to	PART
bibechana-15892	150	15	pursue	pursue	VERB
bibechana-15892	150	16	post	post	ADJ
bibechana-15892	150	17	-	-	ADJ
bibechana-15892	150	18	doc	doc	ADJ
bibechana-15892	150	19	study	study	NOUN
bibechana-15892	150	20	in	in	ADP
bibechana-15892	150	21	universidate	universidate	PROPN
bibechana-15892	150	22	federal	federal	PROPN
bibechana-15892	150	23	do	do	AUX
bibechana-15892	150	24	ceara	ceara	NOUN
bibechana-15892	150	25	,	,	PUNCT
bibechana-15892	150	26	fortaleza	fortaleza	PROPN
bibechana-15892	150	27	,	,	PUNCT
bibechana-15892	150	28	brazil	brazil	PROPN
bibechana-15892	150	29	.	.	PUNCT
bibechana-15892	151	1	references	reference	NOUN
bibechana-15892	151	2	[	[	X
bibechana-15892	151	3	1	1	NUM
bibechana-15892	151	4	]	]	PUNCT
bibechana-15892	151	5	a.a	a.a	PROPN
bibechana-15892	151	6	.	.	PROPN
bibechana-15892	151	7	pozdzik	pozdzik	NOUN
bibechana-15892	151	8	,	,	PUNCT
bibechana-15892	151	9	i.j	i.j	PROPN
bibechana-15892	151	10	.	.	PROPN
bibechana-15892	151	11	salmon	salmon	PROPN
bibechana-15892	151	12	,	,	PUNCT
bibechana-15892	151	13	f.d	f.d	PROPN
bibechana-15892	151	14	.	.	PROPN
bibechana-15892	151	15	debelle	debelle	PROPN
bibechana-15892	151	16	,	,	PUNCT
bibechana-15892	151	17	c.	c.	PROPN
bibechana-15892	151	18	decaestecker	decaestecker	NOUN
bibechana-15892	151	19	,	,	PUNCT
bibechana-15892	151	20	c	c	X
bibechana-15892	151	21	,	,	PUNCT
bibechana-15892	151	22	van	van	PROPN
bibechana-15892	151	23	den	den	PROPN
bibechana-15892	151	24	branden	branden	PROPN
bibechana-15892	151	25	,	,	PUNCT
bibechana-15892	151	26	j.l	j.l	PROPN
bibechana-15892	151	27	.	.	PROPN
bibechana-15892	151	28	vanherweghem	vanherweghem	PROPN
bibechana-15892	151	29	,	,	PUNCT
bibechana-15892	151	30	d.	d.	PROPN
bibechana-15892	151	31	verbeelen	verbeelen	PROPN
bibechana-15892	151	32	,	,	PUNCT
bibechana-15892	151	33	m.m	m.m	PROPN
bibechana-15892	151	34	.	.	PROPN
bibechana-15892	151	35	deschodt	deschodt	PROPN
bibechana-15892	151	36	-	-	PROPN
bibechana-15892	151	37	lankman	lankman	PROPN
bibechana-15892	151	38	,	,	PUNCT
bibechana-15892	151	39	j.l	j.l	PROPN
bibechana-15892	151	40	.	.	PROPN
bibechana-15892	151	41	nortier	nortier	NOUN
bibechana-15892	151	42	,	,	PUNCT
bibechana-15892	151	43	kidney	kidney	PROPN
bibechana-15892	151	44	international	international	ADJ
bibechana-15892	151	45	73	73	NUM
bibechana-15892	151	46	(	(	PUNCT
bibechana-15892	151	47	2008	2008	NUM
bibechana-15892	151	48	)	)	PUNCT
bibechana-15892	151	49	595	595	NUM
bibechana-15892	151	50	-	-	SYM
bibechana-15892	151	51	607	607	NUM
bibechana-15892	151	52	.	.	PUNCT
bibechana-15892	152	1	http://dx.doi.org/10.1038/sj.ki.5002714	http://dx.doi.org/10.1038/sj.ki.5002714	PROPN
bibechana-15892	152	2	[	[	X
bibechana-15892	152	3	2	2	NUM
bibechana-15892	152	4	]	]	PUNCT
bibechana-15892	152	5	w.	w.	PROPN
bibechana-15892	152	6	tang	tang	PROPN
bibechana-15892	152	7	and	and	CCONJ
bibechana-15892	152	8	g.	g.	PROPN
bibechana-15892	152	9	eisenbrand	eisenbrand	PROPN
bibechana-15892	152	10	,	,	PUNCT
bibechana-15892	152	11	chinese	chinese	ADJ
bibechana-15892	152	12	drugs	drug	NOUN
bibechana-15892	152	13	of	of	ADP
bibechana-15892	152	14	plant	plant	NOUN
bibechana-15892	152	15	origin	origin	NOUN
bibechana-15892	152	16	-	-	PUNCT
bibechana-15892	152	17	chemistry	chemistry	NOUN
bibechana-15892	152	18	,	,	PUNCT
bibechana-15892	152	19	pharmacology	pharmacology	NOUN
bibechana-15892	152	20	and	and	CCONJ
bibechana-15892	152	21	use	use	NOUN
bibechana-15892	152	22	in	in	ADP
bibechana-15892	152	23	traditional	traditional	ADJ
bibechana-15892	152	24	and	and	CCONJ
bibechana-15892	152	25	modern	modern	ADJ
bibechana-15892	152	26	medicine	medicine	NOUN
bibechana-15892	152	27	,	,	PUNCT
bibechana-15892	152	28	springer	springer	NOUN
bibechana-15892	152	29	-	-	PUNCT
bibechana-15892	152	30	verlag	verlag	PROPN
bibechana-15892	152	31	,	,	PUNCT
bibechana-15892	152	32	berlin	berlin	PROPN
bibechana-15892	152	33	,	,	PUNCT
bibechana-15892	152	34	germany	germany	PROPN
bibechana-15892	152	35	,	,	PUNCT
bibechana-15892	152	36	(	(	PUNCT
bibechana-15892	152	37	1992	1992	NUM
bibechana-15892	152	38	)	)	PUNCT
bibechana-15892	153	1	pp.145	pp.145	NOUN
bibechana-15892	153	2	.	.	PUNCT
bibechana-15892	154	1	[	[	X
bibechana-15892	154	2	3	3	X
bibechana-15892	154	3	]	]	X
bibechana-15892	154	4	b.d	b.d	PROPN
bibechana-15892	154	5	.	.	PROPN
bibechana-15892	154	6	joshi	joshi	PROPN
bibechana-15892	154	7	,	,	PUNCT
bibechana-15892	154	8	a.	a.	PROPN
bibechana-15892	154	9	srivastava	srivastava	PROPN
bibechana-15892	154	10	,	,	PUNCT
bibechana-15892	154	11	v.	v.	PROPN
bibechana-15892	154	12	gupta	gupta	PROPN
bibechana-15892	154	13	,	,	PUNCT
bibechana-15892	154	14	p.	p.	PROPN
bibechana-15892	154	15	tandon	tandon	PROPN
bibechana-15892	154	16	and	and	CCONJ
bibechana-15892	154	17	s.	s.	PROPN
bibechana-15892	154	18	jain	jain	PROPN
bibechana-15892	154	19	,	,	PUNCT
bibechana-15892	154	20	spectrochim	spectrochim	PROPN
bibechana-15892	154	21	.	.	PUNCT
bibechana-15892	155	1	acta	acta	PROPN
bibechana-15892	155	2	a	a	DET
bibechana-15892	155	3	116	116	NUM
bibechana-15892	155	4	(	(	PUNCT
bibechana-15892	155	5	2013	2013	NUM
bibechana-15892	155	6	)	)	PUNCT
bibechana-15892	155	7	258	258	NUM
bibechana-15892	155	8	.	.	PUNCT
bibechana-15892	156	1	http://dx.doi.org/10.1016/j.saa.2013.07.036	http://dx.doi.org/10.1016/j.saa.2013.07.036	X
bibechana-15892	157	1	[	[	X
bibechana-15892	157	2	4	4	NUM
bibechana-15892	157	3	]	]	X
bibechana-15892	157	4	r.	r.	PROPN
bibechana-15892	157	5	mishra	mishra	PROPN
bibechana-15892	157	6	,	,	PUNCT
bibechana-15892	157	7	b.d	b.d	PROPN
bibechana-15892	157	8	.	.	PROPN
bibechana-15892	157	9	joshi	joshi	PROPN
bibechana-15892	157	10	,	,	PUNCT
bibechana-15892	157	11	a.	a.	PROPN
bibechana-15892	157	12	srivastava	srivastava	PROPN
bibechana-15892	157	13	,	,	PUNCT
bibechana-15892	157	14	p.	p.	PROPN
bibechana-15892	157	15	tandon	tandon	PROPN
bibechana-15892	157	16	and	and	CCONJ
bibechana-15892	157	17	s.	s.	PROPN
bibechana-15892	157	18	jain	jain	PROPN
bibechana-15892	157	19	,	,	PUNCT
bibechana-15892	157	20	spectrochim	spectrochim	PROPN
bibechana-15892	157	21	.	.	PUNCT
bibechana-15892	158	1	acta	acta	PROPN
bibechana-15892	158	2	a.	a.	PROPN
bibechana-15892	158	3	118	118	NUM
bibechana-15892	158	4	(	(	PUNCT
bibechana-15892	158	5	2014	2014	NUM
bibechana-15892	158	6	)	)	PUNCT
bibechana-15892	158	7	470	470	NUM
bibechana-15892	158	8	.	.	PUNCT
bibechana-15892	159	1	http://dx.doi.org/10.1016/j.saa.2013.09.015	http://dx.doi.org/10.1016/j.saa.2013.09.015	NOUN
bibechana-15892	160	1	[	[	X
bibechana-15892	160	2	5	5	X
bibechana-15892	160	3	]	]	X
bibechana-15892	160	4	j.m	j.m	PROPN
bibechana-15892	160	5	.	.	PROPN
bibechana-15892	160	6	chamers	chamer	NOUN
bibechana-15892	160	7	and	and	CCONJ
bibechana-15892	160	8	p.r	p.r	PROPN
bibechana-15892	160	9	.	.	PROPN
bibechana-15892	160	10	griffiths	griffiths	PROPN
bibechana-15892	160	11	,	,	PUNCT
bibechana-15892	160	12	(	(	PUNCT
bibechana-15892	160	13	eds	ed	NOUN
bibechana-15892	160	14	.	.	PUNCT
bibechana-15892	160	15	)	)	PUNCT
bibechana-15892	160	16	,	,	PUNCT
bibechana-15892	160	17	handbook	handbook	NOUN
bibechana-15892	160	18	of	of	ADP
bibechana-15892	160	19	vibrational	vibrational	ADJ
bibechana-15892	160	20	spectroscopy	spectroscopy	NOUN
bibechana-15892	160	21	,	,	PUNCT
bibechana-15892	160	22	john	john	PROPN
bibechana-15892	160	23	wiley	wiley	PROPN
bibechana-15892	160	24	and	and	CCONJ
bibechana-15892	160	25	sons	son	NOUN
bibechana-15892	160	26	,	,	PUNCT
bibechana-15892	160	27	(	(	PUNCT
bibechana-15892	160	28	2002	2002	NUM
bibechana-15892	160	29	)	)	PUNCT
bibechana-15892	160	30	.	.	PUNCT
bibechana-15892	161	1	[	[	X
bibechana-15892	161	2	6	6	NUM
bibechana-15892	161	3	]	]	X
bibechana-15892	161	4	r.	r.	PROPN
bibechana-15892	161	5	mishra	mishra	PROPN
bibechana-15892	161	6	,	,	PUNCT
bibechana-15892	161	7	a.	a.	PROPN
bibechana-15892	161	8	srivastava	srivastava	PROPN
bibechana-15892	161	9	,	,	PUNCT
bibechana-15892	161	10	a.	a.	PROPN
bibechana-15892	161	11	sharma	sharma	PROPN
bibechana-15892	161	12	,	,	PUNCT
bibechana-15892	161	13	p.	p.	PROPN
bibechana-15892	161	14	tandon	tandon	PROPN
bibechana-15892	161	15	,	,	PUNCT
bibechana-15892	161	16	c.	c.	PROPN
bibechana-15892	161	17	baraldiand	baraldiand	PROPN
bibechana-15892	161	18	m.c	m.c	PROPN
bibechana-15892	161	19	.	.	PROPN
bibechana-15892	161	20	gamberini	gamberini	PROPN
bibechana-15892	161	21	,	,	PUNCT
bibechana-15892	161	22	spectrochim	spectrochim	PROPN
bibechana-15892	161	23	.	.	PUNCT
bibechana-15892	162	1	acta	acta	PROPN
bibechana-15892	162	2	a	a	DET
bibechana-15892	162	3	101	101	NUM
bibechana-15892	162	4	(	(	PUNCT
bibechana-15892	162	5	2013	2013	NUM
bibechana-15892	162	6	)	)	PUNCT
bibechana-15892	162	7	335	335	NUM
bibechana-15892	162	8	.	.	PUNCT
bibechana-15892	163	1	http://dx.doi.org/10.1016/j.saa.2012.09.092	http://dx.doi.org/10.1016/j.saa.2012.09.092	PROPN
bibechana-15892	164	1	[	[	X
bibechana-15892	164	2	7	7	X
bibechana-15892	164	3	]	]	PUNCT
bibechana-15892	164	4	p.	p.	NOUN
bibechana-15892	164	5	hohenberg	hohenberg	PROPN
bibechana-15892	164	6	and	and	CCONJ
bibechana-15892	164	7	w.	w.	PROPN
bibechana-15892	164	8	kohn	kohn	PROPN
bibechana-15892	164	9	,	,	PUNCT
bibechana-15892	164	10	phys	phys	PROPN
bibechana-15892	164	11	.	.	PUNCT
bibechana-15892	165	1	rev	rev	PROPN
bibechana-15892	165	2	.	.	PROPN
bibechana-15892	166	1	136b	136b	PROPN
bibechana-15892	166	2	(	(	PUNCT
bibechana-15892	166	3	1964	1964	NUM
bibechana-15892	166	4	)	)	PUNCT
bibechana-15892	166	5	864	864	NUM
bibechana-15892	166	6	.	.	PUNCT
bibechana-15892	166	7	http://dx.doi.org/10.1103/physrev.136.b864	http://dx.doi.org/10.1103/physrev.136.b864	PRON
bibechana-15892	167	1	[	[	X
bibechana-15892	167	2	8	8	NUM
bibechana-15892	167	3	]	]	X
bibechana-15892	167	4	j.b	j.b	PROPN
bibechana-15892	167	5	.	.	PROPN
bibechana-15892	167	6	khadka	khadka	PROPN
bibechana-15892	167	7	and	and	CCONJ
bibechana-15892	167	8	b.d	b.d	PROPN
bibechana-15892	167	9	.	.	PROPN
bibechana-15892	167	10	joshi	joshi	PROPN
bibechana-15892	167	11	,	,	PUNCT
bibechana-15892	167	12	bibechana	bibechana	PROPN
bibechana-15892	167	13	12	12	NUM
bibechana-15892	167	14	(	(	PUNCT
bibechana-15892	167	15	2015	2015	NUM
bibechana-15892	167	16	)	)	PUNCT
bibechana-15892	167	17	40	40	NUM
bibechana-15892	167	18	.	.	PUNCT
bibechana-15892	168	1	http://dx.doi.org/10.3126/bibechana.v12i0.11702	http://dx.doi.org/10.3126/bibechana.v12i0.11702	PROPN
bibechana-15892	168	2	[	[	X
bibechana-15892	168	3	9	9	NUM
bibechana-15892	168	4	]	]	PUNCT
bibechana-15892	168	5	www.ncbi.nlm.nih.gov	www.ncbi.nlm.nih.gov	ADJ
bibechana-15892	168	6	structure	structure	NOUN
bibechana-15892	168	7	search	search	NOUN
bibechana-15892	168	8	data	datum	NOUN
bibechana-15892	168	9	base	base	NOUN
bibechana-15892	168	10	.	.	PUNCT
bibechana-15892	169	1	[	[	X
bibechana-15892	169	2	10	10	NUM
bibechana-15892	169	3	]	]	X
bibechana-15892	169	4	m.j	m.j	PROPN
bibechana-15892	169	5	.	.	PROPN
bibechana-15892	169	6	frisch	frisch	PROPN
bibechana-15892	169	7	,	,	PUNCT
bibechana-15892	169	8	g.w	g.w	PROPN
bibechana-15892	169	9	.	.	PROPN
bibechana-15892	169	10	trucks	trucks	PROPN
bibechana-15892	169	11	,	,	PUNCT
bibechana-15892	169	12	h.b	h.b	PROPN
bibechana-15892	169	13	.	.	PROPN
bibechana-15892	169	14	schlegel	schlegel	PROPN
bibechana-15892	169	15	,	,	PUNCT
bibechana-15892	169	16	g.e	g.e	PROPN
bibechana-15892	169	17	.	.	PROPN
bibechana-15892	169	18	scuseria	scuseria	PROPN
bibechana-15892	169	19	,	,	PUNCT
bibechana-15892	169	20	m.a	m.a	PROPN
bibechana-15892	169	21	.	.	PROPN
bibechana-15892	169	22	robb	robb	PROPN
bibechana-15892	169	23	,	,	PUNCT
bibechana-15892	169	24	j.r	j.r	PROPN
bibechana-15892	169	25	.	.	PROPN
bibechana-15892	169	26	cheeseman	cheeseman	PROPN
bibechana-15892	169	27	,	,	PUNCT
bibechana-15892	169	28	g.	g.	PROPN
bibechana-15892	169	29	scalmani	scalmani	PROPN
bibechana-15892	169	30	,	,	PUNCT
bibechana-15892	169	31	v.	v.	PROPN
bibechana-15892	169	32	barone	barone	PROPN
bibechana-15892	169	33	,	,	PUNCT
bibechana-15892	169	34	b.	b.	PROPN
bibechana-15892	169	35	mennucci	mennucci	PROPN
bibechana-15892	169	36	,	,	PUNCT
bibechana-15892	169	37	g.a	g.a	PROPN
bibechana-15892	169	38	.	.	PROPN
bibechana-15892	169	39	petersson	petersson	PROPN
bibechana-15892	169	40	,	,	PUNCT
bibechana-15892	169	41	h.	h.	PROPN
bibechana-15892	169	42	nakatsuji	nakatsuji	PROPN
bibechana-15892	169	43	,	,	PUNCT
bibechana-15892	169	44	m.	m.	NOUN
bibechana-15892	169	45	caricato	caricato	PROPN
bibechana-15892	169	46	,	,	PUNCT
bibechana-15892	169	47	x.	x.	PROPN
bibechana-15892	169	48	li	li	PROPN
bibechana-15892	169	49	,	,	PUNCT
bibechana-15892	169	50	h.p	h.p	PROPN
bibechana-15892	169	51	.	.	PROPN
bibechana-15892	169	52	hratchian	hratchian	PROPN
bibechana-15892	169	53	,	,	PUNCT
bibechana-15892	169	54	a.f	a.f	PROPN
bibechana-15892	169	55	.	.	PROPN
bibechana-15892	169	56	izmaylov	izmaylov	PROPN
bibechana-15892	169	57	,	,	PUNCT
bibechana-15892	169	58	j.	j.	PROPN
bibechana-15892	169	59	bloino	bloino	PROPN
bibechana-15892	169	60	,	,	PUNCT
bibechana-15892	169	61	g.	g.	PROPN
bibechana-15892	169	62	zheng	zheng	PROPN
bibechana-15892	169	63	,	,	PUNCT
bibechana-15892	169	64	j.	j.	PROPN
bibechana-15892	169	65	l.	l.	PROPN
bibechana-15892	169	66	sonnenberg	sonnenberg	PROPN
bibechana-15892	169	67	,	,	PUNCT
bibechana-15892	169	68	m.	m.	PROPN
bibechana-15892	169	69	hada	hada	PROPN
bibechana-15892	169	70	,	,	PUNCT
bibechana-15892	169	71	m.	m.	NOUN
bibechana-15892	169	72	ehara	ehara	PROPN
bibechana-15892	169	73	,	,	PUNCT
bibechana-15892	169	74	k.	k.	PROPN
bibechana-15892	169	75	toyota	toyota	PROPN
bibechana-15892	169	76	,	,	PUNCT
bibechana-15892	169	77	r.	r.	PROPN
bibechana-15892	169	78	fukuda	fukuda	PROPN
bibechana-15892	169	79	,	,	PUNCT
bibechana-15892	169	80	j.	j.	PROPN
bibechana-15892	169	81	hasegawa	hasegawa	PROPN
bibechana-15892	169	82	,	,	PUNCT
bibechana-15892	169	83	m.	m.	PROPN
bibechana-15892	169	84	ishida	ishida	PROPN
bibechana-15892	169	85	,	,	PUNCT
bibechana-15892	169	86	t.	t.	PROPN
bibechana-15892	169	87	nakajima	nakajima	PROPN
bibechana-15892	169	88	,	,	PUNCT
bibechana-15892	169	89	y.	y.	PROPN
bibechana-15892	169	90	honda	honda	PROPN
bibechana-15892	169	91	,	,	PUNCT
bibechana-15892	169	92	o.	o.	PROPN
bibechana-15892	169	93	kitao	kitao	PROPN
bibechana-15892	169	94	,	,	PUNCT
bibechana-15892	169	95	h.	h.	PROPN
bibechana-15892	169	96	nakai	nakai	PROPN
bibechana-15892	169	97	,	,	PUNCT
bibechana-15892	169	98	t.	t.	PROPN
bibechana-15892	169	99	vreven	vreven	PROPN
bibechana-15892	169	100	,	,	PUNCT
bibechana-15892	169	101	j.	j.	PROPN
bibechana-15892	169	102	a.	a.	PROPN
bibechana-15892	169	103	montgomery	montgomery	PROPN
bibechana-15892	169	104	,	,	PUNCT
bibechana-15892	169	105	jr	jr	PROPN
bibechana-15892	169	106	.	.	PROPN
bibechana-15892	169	107	,	,	PUNCT
bibechana-15892	169	108	j.e	j.e	PROPN
bibechana-15892	169	109	.	.	PROPN
bibechana-15892	169	110	peralta	peralta	PROPN
bibechana-15892	169	111	,	,	PUNCT
bibechana-15892	169	112	f.	f.	PROPN
bibechana-15892	169	113	ogliaro	ogliaro	PROPN
bibechana-15892	169	114	,	,	PUNCT
bibechana-15892	169	115	m.	m.	NOUN
bibechana-15892	169	116	bearpark	bearpark	PROPN
bibechana-15892	169	117	,	,	PUNCT
bibechana-15892	169	118	j.j	j.j	PROPN
bibechana-15892	169	119	.	.	PROPN
bibechana-15892	169	120	heyd	heyd	PROPN
bibechana-15892	169	121	,	,	PUNCT
bibechana-15892	169	122	e.	e.	PROPN
bibechana-15892	169	123	brothers	brothers	PROPN
bibechana-15892	169	124	,	,	PUNCT
bibechana-15892	169	125	k.n	k.n	PROPN
bibechana-15892	169	126	.	.	PROPN
bibechana-15892	169	127	kudin	kudin	PROPN
bibechana-15892	169	128	,	,	PUNCT
bibechana-15892	169	129	v.n	v.n	PROPN
bibechana-15892	169	130	.	.	PROPN
bibechana-15892	169	131	staroverov	staroverov	PROPN
bibechana-15892	169	132	,	,	PUNCT
bibechana-15892	169	133	r.	r.	PROPN
bibechana-15892	169	134	kobayashi	kobayashi	PROPN
bibechana-15892	169	135	,	,	PUNCT
bibechana-15892	169	136	j.	j.	PROPN
bibechana-15892	169	137	normand	normand	PROPN
bibechana-15892	169	138	,	,	PUNCT
bibechana-15892	169	139	k.	k.	PROPN
bibechana-15892	169	140	raghavachari	raghavachari	PROPN
bibechana-15892	169	141	,	,	PUNCT
bibechana-15892	169	142	a.	a.	NOUN
bibechana-15892	169	143	rendell	rendell	PROPN
bibechana-15892	169	144	,	,	PUNCT
bibechana-15892	169	145	j.c	j.c	PROPN
bibechana-15892	169	146	.	.	PROPN
bibechana-15892	169	147	burant	burant	PROPN
bibechana-15892	169	148	,	,	PUNCT
bibechana-15892	169	149	s.	s.	PROPN
bibechana-15892	169	150	s.	s.	PROPN
bibechana-15892	169	151	iyengar	iyengar	PROPN
bibechana-15892	169	152	,	,	PUNCT
bibechana-15892	169	153	j.	j.	PROPN
bibechana-15892	169	154	tomasi	tomasi	PROPN
bibechana-15892	169	155	,	,	PUNCT
bibechana-15892	169	156	m.	m.	NOUN
bibechana-15892	169	157	cossi	cossi	PROPN
bibechana-15892	169	158	,	,	PUNCT
bibechana-15892	169	159	n.	n.	PROPN
bibechana-15892	169	160	rega	rega	PROPN
bibechana-15892	169	161	,	,	PUNCT
bibechana-15892	169	162	j.m	j.m	PROPN
bibechana-15892	169	163	.	.	PROPN
bibechana-15892	169	164	millam	millam	PROPN
bibechana-15892	169	165	,	,	PUNCT
bibechana-15892	169	166	m.	m.	NOUN
bibechana-15892	169	167	klene	klene	PROPN
bibechana-15892	169	168	,	,	PUNCT
bibechana-15892	169	169	j.e	j.e	PROPN
bibechana-15892	169	170	.	.	PROPN
bibechana-15892	169	171	knox	knox	PROPN
bibechana-15892	169	172	,	,	PUNCT
bibechana-15892	169	173	j.b	j.b	PROPN
bibechana-15892	169	174	.	.	PROPN
bibechana-15892	169	175	cross	cross	PROPN
bibechana-15892	169	176	,	,	PUNCT
bibechana-15892	169	177	v.	v.	PROPN
bibechana-15892	169	178	bakken	bakken	PROPN
bibechana-15892	169	179	,	,	PUNCT
bibechana-15892	169	180	c.	c.	PROPN
bibechana-15892	169	181	adamo	adamo	PROPN
bibechana-15892	169	182	,	,	PUNCT
bibechana-15892	169	183	j.	j.	PROPN
bibechana-15892	169	184	jaramillo	jaramillo	PROPN
bibechana-15892	169	185	,	,	PUNCT
bibechana-15892	169	186	r.	r.	PROPN
bibechana-15892	169	187	gomperts	gomperts	PROPN
bibechana-15892	169	188	,	,	PUNCT
bibechana-15892	169	189	r.e	r.e	PROPN
bibechana-15892	169	190	.	.	PROPN
bibechana-15892	169	191	stratmann	stratmann	PROPN
bibechana-15892	169	192	,	,	PUNCT
bibechana-15892	169	193	o.	o.	PROPN
bibechana-15892	169	194	yazyev	yazyev	PROPN
bibechana-15892	169	195	,	,	PUNCT
bibechana-15892	169	196	a.j	a.j	PROPN
bibechana-15892	169	197	.	.	PROPN
bibechana-15892	169	198	austin	austin	PROPN
bibechana-15892	169	199	,	,	PUNCT
bibechana-15892	169	200	r.	r.	PROPN
bibechana-15892	169	201	cammi	cammi	PROPN
bibechana-15892	169	202	,	,	PUNCT
bibechana-15892	169	203	c.	c.	PROPN
bibechana-15892	169	204	pomelli	pomelli	PROPN
bibechana-15892	169	205	,	,	PUNCT
bibechana-15892	169	206	j.	j.	PROPN
bibechana-15892	169	207	w.	w.	PROPN
bibechana-15892	169	208	ochterski	ochterski	PROPN
bibechana-15892	169	209	,	,	PUNCT
bibechana-15892	169	210	r.l	r.l	PROPN
bibechana-15892	169	211	.	.	PROPN
bibechana-15892	169	212	martin	martin	PROPN
bibechana-15892	169	213	,	,	PUNCT
bibechana-15892	169	214	k.	k.	PROPN
bibechana-15892	169	215	morokuma	morokuma	PROPN
bibechana-15892	169	216	,	,	PUNCT
bibechana-15892	169	217	v.g	v.g	PROPN
bibechana-15892	169	218	.	.	PROPN
bibechana-15892	169	219	zakrzewski	zakrzewski	PROPN
bibechana-15892	169	220	,	,	PUNCT
bibechana-15892	169	221	g.a	g.a	PROPN
bibechana-15892	169	222	.	.	PROPN
bibechana-15892	169	223	voth	voth	PROPN
bibechana-15892	169	224	,	,	PUNCT
bibechana-15892	169	225	p.	p.	PROPN
bibechana-15892	169	226	salvador	salvador	PROPN
bibechana-15892	169	227	,	,	PUNCT
bibechana-15892	169	228	j.j	j.j	PROPN
bibechana-15892	169	229	.	.	PROPN
bibechana-15892	169	230	dannenberg	dannenberg	PROPN
bibechana-15892	169	231	,	,	PUNCT
bibechana-15892	169	232	s.	s.	PROPN
bibechana-15892	169	233	dapprich	dapprich	PROPN
bibechana-15892	169	234	,	,	PUNCT
bibechana-15892	169	235	a.d	a.d	PROPN
bibechana-15892	169	236	.	.	PROPN
bibechana-15892	169	237	daniels	daniels	PROPN
bibechana-15892	169	238	,	,	PUNCT
bibechana-15892	169	239	o.	o.	PROPN
bibechana-15892	169	240	farkas	farkas	PROPN
bibechana-15892	169	241	,	,	PUNCT
bibechana-15892	169	242	j.b	j.b	PROPN
bibechana-15892	169	243	.	.	PROPN
bibechana-15892	169	244	foresman	foresman	PROPN
bibechana-15892	169	245	,	,	PUNCT
bibechana-15892	169	246	j.	j.	PROPN
bibechana-15892	169	247	v.	v.	PROPN
bibechana-15892	169	248	ortiz	ortiz	PROPN
bibechana-15892	169	249	,	,	PUNCT
bibechana-15892	169	250	j.	j.	PROPN
bibechana-15892	169	251	cioslowski	cioslowski	PROPN
bibechana-15892	169	252	,	,	PUNCT
bibechana-15892	169	253	and	and	CCONJ
bibechana-15892	169	254	d.j	d.j	PROPN
bibechana-15892	169	255	.	.	PROPN
bibechana-15892	169	256	fox	fox	PROPN
bibechana-15892	169	257	,	,	PUNCT
bibechana-15892	169	258	gaussian	gaussian	PROPN
bibechana-15892	169	259	,	,	PUNCT
bibechana-15892	169	260	inc	inc	PROPN
bibechana-15892	169	261	.	.	PROPN
bibechana-15892	169	262	,	,	PUNCT
bibechana-15892	169	263	wallingford	wallingford	PROPN
bibechana-15892	169	264	ct	ct	PROPN
bibechana-15892	169	265	,	,	PUNCT
bibechana-15892	169	266	(	(	PUNCT
bibechana-15892	169	267	2009	2009	NUM
bibechana-15892	169	268	)	)	PUNCT
bibechana-15892	169	269	.	.	PUNCT
bibechana-15892	170	1	[	[	X
bibechana-15892	170	2	11	11	NUM
bibechana-15892	170	3	]	]	X
bibechana-15892	170	4	m.e	m.e	PROPN
bibechana-15892	170	5	.	.	PROPN
bibechana-15892	170	6	casida	casida	PROPN
bibechana-15892	170	7	and	and	CCONJ
bibechana-15892	170	8	d.p	d.p	PROPN
bibechana-15892	170	9	.	.	PROPN
bibechana-15892	170	10	chong	chong	PROPN
bibechana-15892	170	11	(	(	PUNCT
bibechana-15892	170	12	eds	eds	PROPN
bibechana-15892	170	13	.	.	PUNCT
bibechana-15892	170	14	)	)	PUNCT
bibechana-15892	170	15	,	,	PUNCT
bibechana-15892	170	16	recent	recent	ADJ
bibechana-15892	170	17	developments	development	NOUN
bibechana-15892	170	18	in	in	ADP
bibechana-15892	170	19	density	density	NOUN
bibechana-15892	170	20	functional	functional	ADJ
bibechana-15892	170	21	theory	theory	NOUN
bibechana-15892	170	22	,	,	PUNCT
bibechana-15892	170	23	vol	vol	NOUN
bibechana-15892	170	24	.	.	PROPN
bibechana-15892	170	25	1	1	NUM
bibechana-15892	170	26	,	,	PUNCT
bibechana-15892	170	27	world	world	NOUN
bibechana-15892	170	28	scientific	scientific	PROPN
bibechana-15892	170	29	,	,	PUNCT
bibechana-15892	170	30	singapore	singapore	PROPN
bibechana-15892	170	31	,	,	PUNCT
bibechana-15892	170	32	(	(	PUNCT
bibechana-15892	170	33	1995	1995	NUM
bibechana-15892	170	34	)	)	PUNCT
bibechana-15892	171	1	pp	pp	ADP
bibechana-15892	171	2	.	.	PUNCT
bibechana-15892	172	1	155	155	NUM
bibechana-15892	172	2	.	.	PUNCT
bibechana-15892	173	1	https://cris.cumulus.vub.ac.be/portal/en/persons/christiane-van-den-branden(3cbe465f-18ce-4177-8a5a-dd3331dcafa9).html	https://cris.cumulus.vub.ac.be/portal/en/persons/christiane-van-den-branden(3cbe465f-18ce-4177-8a5a-dd3331dcafa9).html	PROPN
bibechana-15892	173	2	https://cris.cumulus.vub.ac.be/portal/en/persons/dierik-verbeelen(01fd4089-3a85-48d0-afda-150694bc3dec).html	https://cris.cumulus.vub.ac.be/portal/en/persons/dierik-verbeelen(01fd4089-3a85-48d0-afda-150694bc3dec).html	VERB
bibechana-15892	174	1	http://dx.doi.org/10.1038/sj.ki.5002714	http://dx.doi.org/10.1038/sj.ki.5002714	ADP
bibechana-15892	174	2	http://dx.doi.org/10.1016/j.saa.2013.07.036	http://dx.doi.org/10.1016/j.saa.2013.07.036	NOUN
bibechana-15892	174	3	http://dx.doi.org/10.1016/j.saa.2013.09.015	http://dx.doi.org/10.1016/j.saa.2013.09.015	PROPN
bibechana-15892	174	4	http://dx.doi.org/10.1016/j.saa.2012.09.092	http://dx.doi.org/10.1016/j.saa.2012.09.092	PROPN
bibechana-15892	174	5	http://dx.doi.org/10.1103/physrev.136.b864	http://dx.doi.org/10.1103/physrev.136.b864	PROPN
bibechana-15892	174	6	http://dx.doi.org/10.3126/bibechana.v12i0.11702	http://dx.doi.org/10.3126/bibechana.v12i0.11702	PROPN
bibechana-15892	174	7	bhawani	bhawani	PROPN
bibechana-15892	174	8	dutt	dutt	PROPN
bibechana-15892	174	9	joshi	joshi	PROPN
bibechana-15892	174	10	/	/	SYM
bibechana-15892	174	11	bibechana	bibechana	PROPN
bibechana-15892	174	12	14	14	NUM
bibechana-15892	174	13	(	(	PUNCT
bibechana-15892	174	14	2017	2017	NUM
bibechana-15892	174	15	)	)	PUNCT
bibechana-15892	174	16	86	86	NUM
bibechana-15892	174	17	-	-	SYM
bibechana-15892	174	18	97	97	NUM
bibechana-15892	174	19	:	:	PUNCT
bibechana-15892	174	20	rcost	rcost	NOUN
bibechana-15892	174	21	p.97	p.97	NOUN
bibechana-15892	174	22	(	(	PUNCT
bibechana-15892	174	23	online	online	ADJ
bibechana-15892	174	24	publication	publication	NOUN
bibechana-15892	174	25	:	:	PUNCT
bibechana-15892	174	26	dec	dec	PROPN
bibechana-15892	174	27	.	.	PROPN
bibechana-15892	174	28	,	,	PUNCT
bibechana-15892	174	29	2016	2016	NUM
bibechana-15892	174	30	)	)	PUNCT
bibechana-15892	175	1	[	[	X
bibechana-15892	175	2	12	12	NUM
bibechana-15892	175	3	]	]	X
bibechana-15892	175	4	m.e	m.e	PROPN
bibechana-15892	175	5	.	.	PROPN
bibechana-15892	175	6	casida	casida	PROPN
bibechana-15892	175	7	,	,	PUNCT
bibechana-15892	175	8	k.c	k.c	PROPN
bibechana-15892	175	9	.	.	PROPN
bibechana-15892	175	10	casida	casida	PROPN
bibechana-15892	175	11	and	and	CCONJ
bibechana-15892	175	12	d.r	d.r	PROPN
bibechana-15892	175	13	.	.	PROPN
bibechana-15892	175	14	salahubint	salahubint	PROPN
bibechana-15892	175	15	.	.	PUNCT
bibechana-15892	176	1	j.	j.	PROPN
bibechana-15892	176	2	quantum	quantum	PROPN
bibechana-15892	176	3	chem	chem	NOUN
bibechana-15892	176	4	.	.	PUNCT
bibechana-15892	177	1	70	70	NUM
bibechana-15892	177	2	(	(	PUNCT
bibechana-15892	177	3	1998	1998	NUM
bibechana-15892	177	4	)	)	PUNCT
bibechana-15892	177	5	933	933	NUM
bibechana-15892	177	6	.	.	PUNCT
bibechana-15892	178	1	http://dx.doi.org/10.1002/(sici)1097-461x	http://dx.doi.org/10.1002/(sici)1097-461x	NOUN
bibechana-15892	178	2	[	[	X
bibechana-15892	178	3	13	13	NUM
bibechana-15892	178	4	]	]	X
bibechana-15892	178	5	c.	c.	PROPN
bibechana-15892	178	6	lee	lee	PROPN
bibechana-15892	178	7	,	,	PUNCT
bibechana-15892	178	8	w.	w.	PROPN
bibechana-15892	178	9	yang	yang	PROPN
bibechana-15892	178	10	and	and	CCONJ
bibechana-15892	178	11	r.g	r.g	PROPN
bibechana-15892	178	12	.	.	PROPN
bibechana-15892	178	13	parr	parr	PROPN
bibechana-15892	178	14	,	,	PUNCT
bibechana-15892	178	15	phys	phy	NOUN
bibechana-15892	178	16	.	.	PUNCT
bibechana-15892	179	1	rev	rev	PROPN
bibechana-15892	179	2	.	.	PROPN
bibechana-15892	179	3	37b	37b	PROPN
bibechana-15892	179	4	(	(	PUNCT
bibechana-15892	179	5	1988)785	1988)785	PROPN
bibechana-15892	179	6	.	.	PUNCT
bibechana-15892	179	7	http://dx.doi.org/10.1103/physrevb.37.785	http://dx.doi.org/10.1103/physrevb.37.785	PROPN
bibechana-15892	180	1	[	[	X
bibechana-15892	180	2	14	14	NUM
bibechana-15892	180	3	]	]	X
bibechana-15892	180	4	m.w	m.w	PROPN
bibechana-15892	180	5	.	.	PROPN
bibechana-15892	180	6	wong	wong	PROPN
bibechana-15892	180	7	,	,	PUNCT
bibechana-15892	180	8	chem	chem	PROPN
bibechana-15892	180	9	.	.	PUNCT
bibechana-15892	181	1	phys	phy	NOUN
bibechana-15892	181	2	.	.	PUNCT
bibechana-15892	182	1	lett	lett	PROPN
bibechana-15892	182	2	.	.	PROPN
bibechana-15892	183	1	,	,	PUNCT
bibechana-15892	183	2	256	256	NUM
bibechana-15892	183	3	(	(	PUNCT
bibechana-15892	183	4	1996	1996	NUM
bibechana-15892	183	5	)	)	PUNCT
bibechana-15892	183	6	391	391	NUM
bibechana-15892	183	7	.	.	PUNCT
bibechana-15892	183	8	http://dx.doi.org/10.1016/0009-2614(96)00483-6	http://dx.doi.org/10.1016/0009-2614(96)00483-6	PUNCT
bibechana-15892	184	1	[	[	X
bibechana-15892	184	2	15	15	NUM
bibechana-15892	184	3	]	]	X
bibechana-15892	184	4	a.p	a.p	PROPN
bibechana-15892	184	5	.	.	PROPN
bibechana-15892	184	6	scott	scott	PROPN
bibechana-15892	184	7	and	and	CCONJ
bibechana-15892	184	8	l.	l.	PROPN
bibechana-15892	184	9	radom	radom	PROPN
bibechana-15892	184	10	,	,	PUNCT
bibechana-15892	184	11	j.	j.	PROPN
bibechana-15892	184	12	phys	phys	PROPN
bibechana-15892	184	13	.	.	PUNCT
bibechana-15892	185	1	chem	chem	PROPN
bibechana-15892	185	2	.	.	PUNCT
bibechana-15892	186	1	100	100	NUM
bibechana-15892	186	2	(	(	PUNCT
bibechana-15892	186	3	1996	1996	NUM
bibechana-15892	186	4	)	)	PUNCT
bibechana-15892	186	5	16502	16502	NUM
bibechana-15892	186	6	.	.	PUNCT
bibechana-15892	187	1	http://dx.doi.org/10.1021/jp960976r	http://dx.doi.org/10.1021/jp960976r	VERB
bibechana-15892	188	1	[	[	X
bibechana-15892	188	2	16	16	NUM
bibechana-15892	188	3	]	]	X
bibechana-15892	188	4	f.	f.	PROPN
bibechana-15892	188	5	weinhold	weinhold	PROPN
bibechana-15892	188	6	and	and	CCONJ
bibechana-15892	188	7	c.r	c.r	PROPN
bibechana-15892	188	8	.	.	PROPN
bibechana-15892	188	9	landis	landis	PROPN
bibechana-15892	188	10	,	,	PUNCT
bibechana-15892	188	11	valency	valency	NOUN
bibechana-15892	188	12	and	and	CCONJ
bibechana-15892	188	13	bonding	bonding	NOUN
bibechana-15892	188	14	:	:	PUNCT
bibechana-15892	188	15	a	a	DET
bibechana-15892	188	16	natural	natural	ADJ
bibechana-15892	188	17	bond	bond	NOUN
bibechana-15892	188	18	orbital	orbital	ADJ
bibechana-15892	188	19	donor	donor	NOUN
bibechana-15892	188	20	acceptor	acceptor	NOUN
bibechana-15892	188	21	perspective	perspective	NOUN
bibechana-15892	188	22	,	,	PUNCT
bibechana-15892	188	23	cambridge	cambridge	PROPN
bibechana-15892	188	24	university	university	PROPN
bibechana-15892	188	25	press	press	NOUN
bibechana-15892	188	26	,	,	PUNCT
bibechana-15892	188	27	new	new	PROPN
bibechana-15892	188	28	york	york	PROPN
bibechana-15892	188	29	,	,	PUNCT
bibechana-15892	188	30	(	(	PUNCT
bibechana-15892	188	31	2005	2005	NUM
bibechana-15892	188	32	)	)	PUNCT
bibechana-15892	188	33	.	.	PUNCT
bibechana-15892	189	1	[	[	X
bibechana-15892	189	2	17	17	NUM
bibechana-15892	189	3	]	]	X
bibechana-15892	189	4	r.g	r.g	PROPN
bibechana-15892	189	5	.	.	PROPN
bibechana-15892	189	6	parr	parr	PROPN
bibechana-15892	189	7	and	and	CCONJ
bibechana-15892	189	8	w.	w.	PROPN
bibechana-15892	189	9	yang	yang	PROPN
bibechana-15892	189	10	,	,	PUNCT
bibechana-15892	189	11	density	density	NOUN
bibechana-15892	189	12	functional	functional	ADJ
bibechana-15892	189	13	theory	theory	NOUN
bibechana-15892	189	14	of	of	ADP
bibechana-15892	189	15	atoms	atom	NOUN
bibechana-15892	189	16	and	and	CCONJ
bibechana-15892	189	17	molecules	molecule	NOUN
bibechana-15892	189	18	,	,	PUNCT
bibechana-15892	189	19	oxford	oxford	PROPN
bibechana-15892	189	20	university	university	PROPN
bibechana-15892	189	21	press	press	NOUN
bibechana-15892	189	22	,	,	PUNCT
bibechana-15892	189	23	new	new	PROPN
bibechana-15892	189	24	york	york	PROPN
bibechana-15892	189	25	,	,	PUNCT
bibechana-15892	189	26	(	(	PUNCT
bibechana-15892	189	27	1989	1989	NUM
bibechana-15892	189	28	)	)	PUNCT
bibechana-15892	189	29	.	.	PUNCT
bibechana-15892	190	1	[	[	X
bibechana-15892	190	2	18	18	NUM
bibechana-15892	190	3	]	]	X
bibechana-15892	190	4	r.g	r.g	PROPN
bibechana-15892	190	5	.	.	PROPN
bibechana-15892	190	6	parr	parr	PROPN
bibechana-15892	190	7	and	and	CCONJ
bibechana-15892	190	8	r.g	r.g	PROPN
bibechana-15892	190	9	.	.	PROPN
bibechana-15892	190	10	pearson	pearson	PROPN
bibechana-15892	190	11	,	,	PUNCT
bibechana-15892	190	12	j.	j.	PROPN
bibechana-15892	190	13	am	am	PROPN
bibechana-15892	190	14	.	.	PUNCT
bibechana-15892	191	1	chem	chem	NOUN
bibechana-15892	191	2	.	.	PUNCT
bibechana-15892	192	1	soc	soc	PROPN
bibechana-15892	192	2	.	.	PUNCT
bibechana-15892	193	1	105	105	NUM
bibechana-15892	193	2	(	(	PUNCT
bibechana-15892	193	3	1983	1983	NUM
bibechana-15892	193	4	)	)	PUNCT
bibechana-15892	193	5	7512	7512	NUM
bibechana-15892	193	6	.	.	PUNCT
bibechana-15892	194	1	http://dx.doi.org/0002-7863/83/1505-7512$01.50/0	http://dx.doi.org/0002-7863/83/1505-7512$01.50/0	PROPN
bibechana-15892	194	2	[	[	X
bibechana-15892	194	3	19	19	NUM
bibechana-15892	194	4	]	]	PUNCT
bibechana-15892	194	5	p.	p.	NOUN
bibechana-15892	194	6	geerlings	geerling	NOUN
bibechana-15892	194	7	,	,	PUNCT
bibechana-15892	194	8	f.	f.	PROPN
bibechana-15892	194	9	de	de	PROPN
bibechana-15892	194	10	proft	proft	PROPN
bibechana-15892	194	11	and	and	CCONJ
bibechana-15892	194	12	w.	w.	PROPN
bibechana-15892	194	13	langenaeker	langenaeker	PROPN
bibechana-15892	194	14	,	,	PUNCT
bibechana-15892	194	15	chem	chem	NOUN
bibechana-15892	194	16	.	.	PUNCT
bibechana-15892	195	1	rev	rev	PROPN
bibechana-15892	195	2	.	.	PROPN
bibechana-15892	195	3	103	103	NUM
bibechana-15892	195	4	(	(	PUNCT
bibechana-15892	195	5	2003	2003	NUM
bibechana-15892	195	6	)	)	PUNCT
bibechana-15892	195	7	1793	1793	NUM
bibechana-15892	195	8	.	.	PUNCT
bibechana-15892	196	1	http://dx.doi.org	http://dx.doi.org	X
bibechana-15892	196	2	/10.1021	/10.1021	PROPN
bibechana-15892	196	3	/	/	SYM
bibechana-15892	196	4	cr990029p	cr990029p	PROPN
bibechana-15892	197	1	[	[	X
bibechana-15892	197	2	20	20	NUM
bibechana-15892	197	3	]	]	SYM
bibechana-15892	197	4	r.g	r.g	PROPN
bibechana-15892	197	5	.	.	PROPN
bibechana-15892	197	6	parr	parr	PROPN
bibechana-15892	197	7	,	,	PUNCT
bibechana-15892	197	8	l.	l.	PROPN
bibechana-15892	197	9	szentpály	szentpály	PROPN
bibechana-15892	197	10	and	and	CCONJ
bibechana-15892	197	11	s.	s.	PROPN
bibechana-15892	197	12	liu	liu	PROPN
bibechana-15892	197	13	,	,	PUNCT
bibechana-15892	197	14	j.	j.	PROPN
bibechana-15892	197	15	am	am	PROPN
bibechana-15892	197	16	.	.	PUNCT
bibechana-15892	197	17	chem	chem	PROPN
bibechana-15892	197	18	.	.	PUNCT
bibechana-15892	197	19	,	,	PUNCT
bibechana-15892	197	20	soc	soc	NOUN
bibechana-15892	197	21	.	.	PUNCT
bibechana-15892	198	1	121	121	NUM
bibechana-15892	198	2	(	(	PUNCT
bibechana-15892	198	3	1999	1999	NUM
bibechana-15892	198	4	)	)	PUNCT
bibechana-15892	198	5	1922	1922	NUM
bibechana-15892	198	6	.	.	PUNCT
bibechana-15892	199	1	http://dx.doi.org/10.1021/ja983494x	http://dx.doi.org/10.1021/ja983494x	PRON
bibechana-15892	199	2	[	[	X
bibechana-15892	199	3	21	21	NUM
bibechana-15892	199	4	]	]	X
bibechana-15892	199	5	p.k	p.k	PROPN
bibechana-15892	199	6	.	.	PROPN
bibechana-15892	199	7	chattaraj	chattaraj	PROPN
bibechana-15892	199	8	and	and	CCONJ
bibechana-15892	199	9	s.	s.	PROPN
bibechana-15892	199	10	giri	giri	PROPN
bibechana-15892	199	11	,	,	PUNCT
bibechana-15892	199	12	j.	j.	PROPN
bibechana-15892	199	13	phys	phys	PROPN
bibechana-15892	199	14	.	.	PUNCT
bibechana-15892	200	1	chem	chem	PROPN
bibechana-15892	200	2	.	.	PUNCT
bibechana-15892	201	1	a	a	DET
bibechana-15892	201	2	111	111	NUM
bibechana-15892	201	3	(	(	PUNCT
bibechana-15892	201	4	2007	2007	NUM
bibechana-15892	201	5	)	)	PUNCT
bibechana-15892	201	6	11116	11116	NUM
bibechana-15892	201	7	.	.	PUNCT
bibechana-15892	202	1	http://dx.doi.org/10.1021/jp0760758	http://dx.doi.org/10.1021/jp0760758	PROPN
bibechana-15892	202	2	[	[	X
bibechana-15892	202	3	22	22	NUM
bibechana-15892	202	4	]	]	PUNCT
bibechana-15892	202	5	v.	v.	CCONJ
bibechana-15892	202	6	sathyanarayanmoorthi	sathyanarayanmoorthi	PROPN
bibechana-15892	202	7	,	,	PUNCT
bibechana-15892	202	8	r.	r.	PROPN
bibechana-15892	202	9	karunathan	karunathan	PROPN
bibechana-15892	202	10	and	and	CCONJ
bibechana-15892	202	11	v.	v.	ADP
bibechana-15892	202	12	kannappan	kannappan	NOUN
bibechana-15892	202	13	,	,	PUNCT
bibechana-15892	202	14	j.	j.	PROPN
bibechana-15892	202	15	chem	chem	PROPN
bibechana-15892	202	16	.	.	PUNCT
bibechana-15892	203	1	1155	1155	NUM
bibechana-15892	203	2	(	(	PUNCT
bibechana-15892	203	3	2013	2013	NUM
bibechana-15892	203	4	)	)	PUNCT
bibechana-15892	203	5	,	,	PUNCT
bibechana-15892	204	1	1	1	X
bibechana-15892	204	2	.	.	PUNCT
bibechana-15892	205	1	http://dx.doi.org/10.1155/2013/258519	http://dx.doi.org/10.1155/2013/258519	PROPN
bibechana-15892	206	1	[	[	X
bibechana-15892	206	2	23	23	NUM
bibechana-15892	206	3	]	]	X
bibechana-15892	206	4	d.j	d.j	PROPN
bibechana-15892	206	5	.	.	PROPN
bibechana-15892	206	6	williams	williams	PROPN
bibechana-15892	206	7	,	,	PUNCT
bibechana-15892	206	8	angew	angew	PROPN
bibechana-15892	206	9	.	.	PUNCT
bibechana-15892	207	1	chem	chem	PROPN
bibechana-15892	207	2	.	.	PUNCT
bibechana-15892	208	1	int	int	NOUN
bibechana-15892	208	2	.	.	PUNCT
bibechana-15892	209	1	ed	ed	NOUN
bibechana-15892	209	2	.	.	PUNCT
bibechana-15892	209	3	engl	engl	PROPN
bibechana-15892	209	4	.	.	PUNCT
bibechana-15892	210	1	23	23	NUM
bibechana-15892	210	2	(	(	PUNCT
bibechana-15892	210	3	1984	1984	NUM
bibechana-15892	210	4	)	)	PUNCT
bibechana-15892	211	1	690	690	NUM
bibechana-15892	211	2	.	.	PUNCT
bibechana-15892	212	1	http://dx.doi.org/10.1002/anie.198406901	http://dx.doi.org/10.1002/anie.198406901	X
bibechana-15892	213	1	[	[	X
bibechana-15892	213	2	24	24	NUM
bibechana-15892	213	3	]	]	X
bibechana-15892	213	4	h.	h.	PROPN
bibechana-15892	213	5	alyar	alyar	PROPN
bibechana-15892	213	6	,	,	PUNCT
bibechana-15892	213	7	z.	z.	PROPN
bibechana-15892	213	8	kantarci	kantarci	PROPN
bibechana-15892	213	9	,	,	PUNCT
bibechana-15892	213	10	m.	m.	NOUN
bibechana-15892	213	11	bahat	bahat	PROPN
bibechana-15892	213	12	and	and	CCONJ
bibechana-15892	213	13	e.	e.	PROPN
bibechana-15892	213	14	kasap	kasap	PROPN
bibechana-15892	213	15	,	,	PUNCT
bibechana-15892	213	16	j.	j.	PROPN
bibechana-15892	213	17	mol	mol	PROPN
bibechana-15892	213	18	.	.	PROPN
bibechana-15892	213	19	struct	struct	NOUN
bibechana-15892	213	20	.	.	PUNCT
bibechana-15892	214	1	834–836	834–836	NUM
bibechana-15892	214	2	(	(	PUNCT
bibechana-15892	214	3	2007	2007	NUM
bibechana-15892	214	4	)	)	PUNCT
bibechana-15892	214	5	516	516	NUM
bibechana-15892	214	6	.	.	PUNCT
bibechana-15892	215	1	http://dx.doi.org/10.1016/j.molstruc.2006.11.066	http://dx.doi.org/10.1016/j.molstruc.2006.11.066	ADJ
bibechana-15892	215	2	http://dx.doi.org/10.1002/(sici)1097-461x	http://dx.doi.org/10.1002/(sici)1097-461x	NOUN
bibechana-15892	215	3	http://dx.doi.org/10.1103/physrevb.37.785	http://dx.doi.org/10.1103/physrevb.37.785	NOUN
bibechana-15892	215	4	http://dx.doi.org/10.1016/0009-2614(96)00483-6	http://dx.doi.org/10.1016/0009-2614(96)00483-6	AUX
bibechana-15892	215	5	http://dx.doi.org/10.1021/jp960976r	http://dx.doi.org/10.1021/jp960976r	VERB
bibechana-15892	215	6	http://dx.doi.org/0002-7863/83/1505-7512$01.50/0	http://dx.doi.org/0002-7863/83/1505-7512$01.50/0	ADJ
bibechana-15892	215	7	http://dx.doi.org/10.1021/ja983494x	http://dx.doi.org/10.1021/ja983494x	PRON
bibechana-15892	215	8	http://dx.doi.org/10.1021/jp0760758	http://dx.doi.org/10.1021/jp0760758	PROPN
bibechana-15892	215	9	http://www.hindawi.com/24593503/	http://www.hindawi.com/24593503/	PROPN
bibechana-15892	215	10	http://www.hindawi.com/65672832/	http://www.hindawi.com/65672832/	PROPN
bibechana-15892	215	11	http://www.hindawi.com/94654659/	http://www.hindawi.com/94654659/	PROPN
bibechana-15892	216	1	http://dx.doi.org/10.1155/2013/258519	http://dx.doi.org/10.1155/2013/258519	PROPN
bibechana-15892	216	2	http://dx.doi.org/10.1002/anie.198406901	http://dx.doi.org/10.1002/anie.198406901	INTJ
bibechana-15892	216	3	http://dx.doi.org/10.1016/j.molstruc.2006.11.066	http://dx.doi.org/10.1016/j.molstruc.2006.11.066	PROPN