id	sid	tid	token	lemma	pos
american_scientific_journal-5341	1	1	75	75	NUM
american_scientific_journal-5341	1	2	american	american	ADJ
american_scientific_journal-5341	1	3	scientific	scientific	ADJ
american_scientific_journal-5341	1	4	research	research	NOUN
american_scientific_journal-5341	1	5	journal	journal	NOUN
american_scientific_journal-5341	1	6	for	for	ADP
american_scientific_journal-5341	1	7	engineering	engineering	NOUN
american_scientific_journal-5341	1	8	,	,	PUNCT
american_scientific_journal-5341	1	9	technology	technology	NOUN
american_scientific_journal-5341	1	10	,	,	PUNCT
american_scientific_journal-5341	1	11	and	and	CCONJ
american_scientific_journal-5341	1	12	sciences	science	NOUN
american_scientific_journal-5341	1	13	(	(	PUNCT
american_scientific_journal-5341	1	14	asrjets	asrjet	NOUN
american_scientific_journal-5341	1	15	)	)	PUNCT
american_scientific_journal-5341	1	16	issn	issn	PROPN
american_scientific_journal-5341	1	17	(	(	PUNCT
american_scientific_journal-5341	1	18	print	print	NOUN
american_scientific_journal-5341	1	19	)	)	PUNCT
american_scientific_journal-5341	1	20	2313	2313	NUM
american_scientific_journal-5341	1	21	-	-	SYM
american_scientific_journal-5341	1	22	4410	4410	NUM
american_scientific_journal-5341	1	23	,	,	PUNCT
american_scientific_journal-5341	1	24	issn	issn	PROPN
american_scientific_journal-5341	1	25	(	(	PUNCT
american_scientific_journal-5341	1	26	online	online	ADJ
american_scientific_journal-5341	1	27	)	)	PUNCT
american_scientific_journal-5341	1	28	2313	2313	NUM
american_scientific_journal-5341	1	29	-	-	SYM
american_scientific_journal-5341	1	30	4402	4402	NUM
american_scientific_journal-5341	1	31	©	©	PROPN
american_scientific_journal-5341	1	32	global	global	ADJ
american_scientific_journal-5341	1	33	society	society	NOUN
american_scientific_journal-5341	1	34	of	of	ADP
american_scientific_journal-5341	1	35	scientific	scientific	ADJ
american_scientific_journal-5341	1	36	research	research	NOUN
american_scientific_journal-5341	1	37	and	and	CCONJ
american_scientific_journal-5341	1	38	researchers	researcher	NOUN
american_scientific_journal-5341	1	39	http://asrjetsjournal.org/	http://asrjetsjournal.org/	ADJ
american_scientific_journal-5341	1	40	computational	computational	ADJ
american_scientific_journal-5341	1	41	determination	determination	NOUN
american_scientific_journal-5341	1	42	of	of	ADP
american_scientific_journal-5341	1	43	reactivity	reactivity	NOUN
american_scientific_journal-5341	1	44	descriptors	descriptor	NOUN
american_scientific_journal-5341	1	45	,	,	PUNCT
american_scientific_journal-5341	1	46	vibrational	vibrational	ADJ
american_scientific_journal-5341	1	47	analysis	analysis	NOUN
american_scientific_journal-5341	1	48	and	and	CCONJ
american_scientific_journal-5341	1	49	nuclear	nuclear	ADJ
american_scientific_journal-5341	1	50	magnetic	magnetic	ADJ
american_scientific_journal-5341	1	51	resonance	resonance	NOUN
american_scientific_journal-5341	1	52	of	of	ADP
american_scientific_journal-5341	1	53	(	(	PUNCT
american_scientific_journal-5341	1	54	e)-5	e)-5	NOUN
american_scientific_journal-5341	1	55	-	-	PUNCT
american_scientific_journal-5341	1	56	oxo-1	oxo-1	NOUN
american_scientific_journal-5341	1	57	-	-	PUNCT
american_scientific_journal-5341	1	58	phenyl-4-(2	phenyl-4-(2	NOUN
american_scientific_journal-5341	1	59	-	-	PUNCT
american_scientific_journal-5341	1	60	phenylhydrazono)-4,5	phenylhydrazono)-4,5	NOUN
american_scientific_journal-5341	1	61	-	-	PUNCT
american_scientific_journal-5341	1	62	dihydro	dihydro	NOUN
american_scientific_journal-5341	1	63	1h	1h	NUM
american_scientific_journal-5341	1	64	-	-	PUNCT
american_scientific_journal-5341	1	65	pyrazole-3	pyrazole-3	NUM
american_scientific_journal-5341	1	66	-	-	ADJ
american_scientific_journal-5341	1	67	carbaldehyde	carbaldehyde	NOUN
american_scientific_journal-5341	1	68	nagwa	nagwa	NOUN
american_scientific_journal-5341	1	69	m.	m.	PROPN
american_scientific_journal-5341	1	70	m.	m.	PROPN
american_scientific_journal-5341	1	71	hamada	hamada	PROPN
american_scientific_journal-5341	1	72	a	a	PROPN
american_scientific_journal-5341	1	73	*	*	PROPN
american_scientific_journal-5341	1	74	,	,	PUNCT
american_scientific_journal-5341	1	75	mohamed	mohamed	PROPN
american_scientific_journal-5341	1	76	a.	a.	PROPN
american_scientific_journal-5341	1	77	el	el	PROPN
american_scientific_journal-5341	1	78	sekily	sekily	PROPN
american_scientific_journal-5341	1	79	b	b	PROPN
american_scientific_journal-5341	1	80	,	,	PUNCT
american_scientific_journal-5341	1	81	sohila	sohila	PROPN
american_scientific_journal-5341	1	82	h.	h.	PROPN
american_scientific_journal-5341	1	83	mancy	mancy	PROPN
american_scientific_journal-5341	1	84	c	c	PROPN
american_scientific_journal-5341	1	85	a	a	PRON
american_scientific_journal-5341	1	86	,	,	PUNCT
american_scientific_journal-5341	1	87	c	c	PROPN
american_scientific_journal-5341	1	88	department	department	PROPN
american_scientific_journal-5341	1	89	of	of	ADP
american_scientific_journal-5341	1	90	physics	physics	PROPN
american_scientific_journal-5341	1	91	and	and	CCONJ
american_scientific_journal-5341	1	92	chemistry	chemistry	NOUN
american_scientific_journal-5341	1	93	,	,	PUNCT
american_scientific_journal-5341	1	94	faculty	faculty	NOUN
american_scientific_journal-5341	1	95	of	of	ADP
american_scientific_journal-5341	1	96	education	education	NOUN
american_scientific_journal-5341	1	97	,	,	PUNCT
american_scientific_journal-5341	1	98	university	university	PROPN
american_scientific_journal-5341	1	99	of	of	ADP
american_scientific_journal-5341	1	100	alexandria	alexandria	PROPN
american_scientific_journal-5341	1	101	,	,	PUNCT
american_scientific_journal-5341	1	102	21526	21526	NUM
american_scientific_journal-5341	1	103	alexandria	alexandria	PROPN
american_scientific_journal-5341	1	104	,	,	PUNCT
american_scientific_journal-5341	1	105	egypt	egypt	PROPN
american_scientific_journal-5341	1	106	b	b	PROPN
american_scientific_journal-5341	1	107	department	department	PROPN
american_scientific_journal-5341	1	108	of	of	ADP
american_scientific_journal-5341	1	109	chemistry	chemistry	NOUN
american_scientific_journal-5341	1	110	,	,	PUNCT
american_scientific_journal-5341	1	111	faculty	faculty	NOUN
american_scientific_journal-5341	1	112	of	of	ADP
american_scientific_journal-5341	1	113	science	science	NOUN
american_scientific_journal-5341	1	114	,	,	PUNCT
american_scientific_journal-5341	1	115	university	university	PROPN
american_scientific_journal-5341	1	116	of	of	ADP
american_scientific_journal-5341	1	117	alexandria	alexandria	PROPN
american_scientific_journal-5341	1	118	,	,	PUNCT
american_scientific_journal-5341	1	119	21321	21321	NUM
american_scientific_journal-5341	1	120	alexandria	alexandria	PROPN
american_scientific_journal-5341	1	121	,	,	PUNCT
american_scientific_journal-5341	1	122	egypt	egypt	PROPN
american_scientific_journal-5341	1	123	.	.	PUNCT
american_scientific_journal-5341	2	1	a	a	DET
american_scientific_journal-5341	2	2	email	email	NOUN
american_scientific_journal-5341	2	3	:	:	PUNCT
american_scientific_journal-5341	2	4	sohaylamansy@gmail.com	sohaylamansy@gmail.com	X
american_scientific_journal-5341	2	5	b	b	X
american_scientific_journal-5341	2	6	email	email	NOUN
american_scientific_journal-5341	2	7	:	:	PUNCT
american_scientific_journal-5341	2	8	prof_dr_m_a_elsekily@yahoo.com	prof_dr_m_a_elsekily@yahoo.com	X
american_scientific_journal-5341	2	9	abstract	abstract	VERB
american_scientific_journal-5341	2	10	the	the	DET
american_scientific_journal-5341	2	11	title	title	NOUN
american_scientific_journal-5341	2	12	compound	compound	NOUN
american_scientific_journal-5341	2	13	,	,	PUNCT
american_scientific_journal-5341	2	14	pyrazole	pyrazole	NOUN
american_scientific_journal-5341	2	15	carbaldehyde	carbaldehyde	NOUN
american_scientific_journal-5341	2	16	have	have	AUX
american_scientific_journal-5341	2	17	been	be	AUX
american_scientific_journal-5341	2	18	optimized	optimize	VERB
american_scientific_journal-5341	2	19	using	use	VERB
american_scientific_journal-5341	2	20	gaussian	gaussian	ADJ
american_scientific_journal-5341	2	21	9	9	NUM
american_scientific_journal-5341	2	22	software	software	NOUN
american_scientific_journal-5341	2	23	program	program	NOUN
american_scientific_journal-5341	2	24	,	,	PUNCT
american_scientific_journal-5341	2	25	via	via	ADP
american_scientific_journal-5341	2	26	density	density	NOUN
american_scientific_journal-5341	2	27	functional	functional	ADJ
american_scientific_journal-5341	2	28	theory	theory	NOUN
american_scientific_journal-5341	2	29	framework	framework	NOUN
american_scientific_journal-5341	2	30	(	(	PUNCT
american_scientific_journal-5341	2	31	dft	dft	PROPN
american_scientific_journal-5341	2	32	/	/	SYM
american_scientific_journal-5341	2	33	b3lyp	b3lyp	NOUN
american_scientific_journal-5341	2	34	)	)	PUNCT
american_scientific_journal-5341	2	35	by	by	ADP
american_scientific_journal-5341	2	36	6	6	NUM
american_scientific_journal-5341	2	37	-	-	SYM
american_scientific_journal-5341	2	38	311	311	NUM
american_scientific_journal-5341	2	39	g	g	NOUN
american_scientific_journal-5341	2	40	(	(	PUNCT
american_scientific_journal-5341	2	41	d	d	PROPN
american_scientific_journal-5341	2	42	,	,	PUNCT
american_scientific_journal-5341	2	43	p	p	NOUN
american_scientific_journal-5341	2	44	)	)	PUNCT
american_scientific_journal-5341	2	45	basis	basis	NOUN
american_scientific_journal-5341	2	46	set	set	NOUN
american_scientific_journal-5341	2	47	,	,	PUNCT
american_scientific_journal-5341	2	48	the	the	DET
american_scientific_journal-5341	2	49	output	output	NOUN
american_scientific_journal-5341	2	50	file	file	NOUN
american_scientific_journal-5341	2	51	was	be	AUX
american_scientific_journal-5341	2	52	visualize	visualize	VERB
american_scientific_journal-5341	2	53	using	use	VERB
american_scientific_journal-5341	2	54	gaussian	gaussian	ADJ
american_scientific_journal-5341	2	55	view	view	NOUN
american_scientific_journal-5341	2	56	program	program	NOUN
american_scientific_journal-5341	2	57	,	,	PUNCT
american_scientific_journal-5341	2	58	geometric	geometric	ADJ
american_scientific_journal-5341	2	59	properties	property	NOUN
american_scientific_journal-5341	2	60	,	,	PUNCT
american_scientific_journal-5341	2	61	thermochemical	thermochemical	NOUN
american_scientific_journal-5341	2	62	and	and	CCONJ
american_scientific_journal-5341	2	63	reactivity	reactivity	NOUN
american_scientific_journal-5341	2	64	descriptors	descriptor	NOUN
american_scientific_journal-5341	2	65	such	such	ADJ
american_scientific_journal-5341	2	66	as	as	ADP
american_scientific_journal-5341	2	67	ionization	ionization	NOUN
american_scientific_journal-5341	2	68	potential	potential	NOUN
american_scientific_journal-5341	2	69	(	(	PUNCT
american_scientific_journal-5341	2	70	ip	ip	NOUN
american_scientific_journal-5341	2	71	)	)	PUNCT
american_scientific_journal-5341	2	72	,	,	PUNCT
american_scientific_journal-5341	2	73	electron	electron	NOUN
american_scientific_journal-5341	2	74	affinity	affinity	NOUN
american_scientific_journal-5341	2	75	(	(	PUNCT
american_scientific_journal-5341	2	76	ea	ea	NOUN
american_scientific_journal-5341	2	77	)	)	PUNCT
american_scientific_journal-5341	2	78	,	,	PUNCT
american_scientific_journal-5341	2	79	electronegativity	electronegativity	NOUN
american_scientific_journal-5341	2	80	(	(	PUNCT
american_scientific_journal-5341	2	81	χ	χ	NOUN
american_scientific_journal-5341	2	82	)	)	PUNCT
american_scientific_journal-5341	2	83	,	,	PUNCT
american_scientific_journal-5341	2	84	chemical	chemical	NOUN
american_scientific_journal-5341	2	85	potential	potential	NOUN
american_scientific_journal-5341	2	86	(	(	PUNCT
american_scientific_journal-5341	2	87	μ	μ	NOUN
american_scientific_journal-5341	2	88	)	)	PUNCT
american_scientific_journal-5341	2	89	,	,	PUNCT
american_scientific_journal-5341	2	90	hardness	hardness	X
american_scientific_journal-5341	2	91	(	(	PUNCT
american_scientific_journal-5341	2	92	η	η	NOUN
american_scientific_journal-5341	2	93	)	)	PUNCT
american_scientific_journal-5341	2	94	,	,	PUNCT
american_scientific_journal-5341	2	95	softness	softness	NOUN
american_scientific_journal-5341	2	96	(	(	PUNCT
american_scientific_journal-5341	2	97	σ	σ	NOUN
american_scientific_journal-5341	2	98	)	)	PUNCT
american_scientific_journal-5341	2	99	,	,	PUNCT
american_scientific_journal-5341	2	100	electrophilicity	electrophilicity	NOUN
american_scientific_journal-5341	2	101	index	index	NOUN
american_scientific_journal-5341	2	102	(	(	PUNCT
american_scientific_journal-5341	2	103	ω	ω	NOUN
american_scientific_journal-5341	2	104	)	)	PUNCT
american_scientific_journal-5341	2	105	and	and	CCONJ
american_scientific_journal-5341	2	106	nucleophilicity	nucleophilicity	NOUN
american_scientific_journal-5341	2	107	index	index	NOUN
american_scientific_journal-5341	2	108	(	(	PUNCT
american_scientific_journal-5341	2	109	n	n	CCONJ
american_scientific_journal-5341	2	110	)	)	PUNCT
american_scientific_journal-5341	2	111	were	be	AUX
american_scientific_journal-5341	2	112	calculated	calculate	VERB
american_scientific_journal-5341	2	113	.	.	PUNCT
american_scientific_journal-5341	3	1	mapping	mapping	NOUN
american_scientific_journal-5341	3	2	of	of	ADP
american_scientific_journal-5341	3	3	electrostatic	electrostatic	ADJ
american_scientific_journal-5341	3	4	surface	surface	NOUN
american_scientific_journal-5341	3	5	potential	potential	NOUN
american_scientific_journal-5341	3	6	(	(	PUNCT
american_scientific_journal-5341	3	7	mesp	mesp	NOUN
american_scientific_journal-5341	3	8	)	)	PUNCT
american_scientific_journal-5341	3	9	allow	allow	VERB
american_scientific_journal-5341	3	10	us	we	PRON
american_scientific_journal-5341	3	11	to	to	PART
american_scientific_journal-5341	3	12	establish	establish	VERB
american_scientific_journal-5341	3	13	trends	trend	NOUN
american_scientific_journal-5341	3	14	that	that	PRON
american_scientific_journal-5341	3	15	enable	enable	VERB
american_scientific_journal-5341	3	16	making	make	VERB
american_scientific_journal-5341	3	17	predictions	prediction	NOUN
american_scientific_journal-5341	3	18	about	about	ADP
american_scientific_journal-5341	3	19	the	the	DET
american_scientific_journal-5341	3	20	reactive	reactive	ADJ
american_scientific_journal-5341	3	21	sites	site	NOUN
american_scientific_journal-5341	3	22	of	of	ADP
american_scientific_journal-5341	3	23	the	the	DET
american_scientific_journal-5341	3	24	studied	study	VERB
american_scientific_journal-5341	3	25	compound	compound	NOUN
american_scientific_journal-5341	3	26	.	.	PUNCT
american_scientific_journal-5341	4	1	besides	besides	SCONJ
american_scientific_journal-5341	4	2	,	,	PUNCT
american_scientific_journal-5341	4	3	the	the	DET
american_scientific_journal-5341	4	4	optimized	optimize	VERB
american_scientific_journal-5341	4	5	structure	structure	NOUN
american_scientific_journal-5341	4	6	is	be	AUX
american_scientific_journal-5341	4	7	subjected	subject	VERB
american_scientific_journal-5341	4	8	to	to	PART
american_scientific_journal-5341	4	9	frequency	frequency	VERB
american_scientific_journal-5341	4	10	analysis	analysis	NOUN
american_scientific_journal-5341	4	11	at	at	ADP
american_scientific_journal-5341	4	12	the	the	DET
american_scientific_journal-5341	4	13	same	same	ADJ
american_scientific_journal-5341	4	14	level	level	NOUN
american_scientific_journal-5341	4	15	of	of	ADP
american_scientific_journal-5341	4	16	theory	theory	NOUN
american_scientific_journal-5341	4	17	to	to	PART
american_scientific_journal-5341	4	18	obtain	obtain	VERB
american_scientific_journal-5341	4	19	thermodynamic	thermodynamic	ADJ
american_scientific_journal-5341	4	20	correction	correction	NOUN
american_scientific_journal-5341	4	21	values	value	NOUN
american_scientific_journal-5341	4	22	.	.	PUNCT
american_scientific_journal-5341	5	1	vibrational	vibrational	ADJ
american_scientific_journal-5341	5	2	assignments	assignment	NOUN
american_scientific_journal-5341	5	3	and	and	CCONJ
american_scientific_journal-5341	5	4	nuclear	nuclear	ADJ
american_scientific_journal-5341	5	5	magnetic	magnetic	ADJ
american_scientific_journal-5341	5	6	resonance	resonance	NOUN
american_scientific_journal-5341	5	7	(	(	PUNCT
american_scientific_journal-5341	5	8	1	1	NUM
american_scientific_journal-5341	5	9	h	h	NOUN
american_scientific_journal-5341	5	10	&	&	CCONJ
american_scientific_journal-5341	5	11	13	13	NUM
american_scientific_journal-5341	5	12	c	c	NOUN
american_scientific_journal-5341	5	13	-	-	PUNCT
american_scientific_journal-5341	5	14	nmr	nmr	NOUN
american_scientific_journal-5341	5	15	)	)	PUNCT
american_scientific_journal-5341	5	16	chemical	chemical	ADJ
american_scientific_journal-5341	5	17	shifts	shift	NOUN
american_scientific_journal-5341	5	18	of	of	ADP
american_scientific_journal-5341	5	19	the	the	DET
american_scientific_journal-5341	5	20	molecule	molecule	NOUN
american_scientific_journal-5341	5	21	were	be	AUX
american_scientific_journal-5341	5	22	calculated	calculate	VERB
american_scientific_journal-5341	5	23	by	by	ADP
american_scientific_journal-5341	5	24	gauge	gauge	NOUN
american_scientific_journal-5341	5	25	independent	independent	ADJ
american_scientific_journal-5341	5	26	atomic	atomic	ADJ
american_scientific_journal-5341	5	27	orbital	orbital	NOUN
american_scientific_journal-5341	5	28	(	(	PUNCT
american_scientific_journal-5341	5	29	giao	giao	NOUN
american_scientific_journal-5341	5	30	)	)	PUNCT
american_scientific_journal-5341	5	31	method	method	NOUN
american_scientific_journal-5341	5	32	using	use	VERB
american_scientific_journal-5341	5	33	the	the	DET
american_scientific_journal-5341	5	34	cpcm	cpcm	PROPN
american_scientific_journal-5341	5	35	model	model	NOUN
american_scientific_journal-5341	5	36	,	,	PUNCT
american_scientific_journal-5341	5	37	and	and	CCONJ
american_scientific_journal-5341	5	38	mapping	mapping	NOUN
american_scientific_journal-5341	5	39	of	of	ADP
american_scientific_journal-5341	5	40	current	current	ADJ
american_scientific_journal-5341	5	41	density	density	NOUN
american_scientific_journal-5341	5	42	shielding	shielding	NOUN
american_scientific_journal-5341	5	43	of	of	ADP
american_scientific_journal-5341	5	44	proton	proton	NOUN
american_scientific_journal-5341	5	45	and	and	CCONJ
american_scientific_journal-5341	5	46	carbon	carbon	NOUN
american_scientific_journal-5341	5	47	nucleus	nucleus	NOUN
american_scientific_journal-5341	5	48	of	of	ADP
american_scientific_journal-5341	5	49	the	the	DET
american_scientific_journal-5341	5	50	aldehyde	aldehyde	NOUN
american_scientific_journal-5341	5	51	group	group	NOUN
american_scientific_journal-5341	5	52	shied	shy	VERB
american_scientific_journal-5341	5	53	light	light	NOUN
american_scientific_journal-5341	5	54	on	on	ADP
american_scientific_journal-5341	5	55	the	the	DET
american_scientific_journal-5341	5	56	molecular	molecular	ADJ
american_scientific_journal-5341	5	57	properties	property	NOUN
american_scientific_journal-5341	5	58	and	and	CCONJ
american_scientific_journal-5341	5	59	reactivity	reactivity	NOUN
american_scientific_journal-5341	5	60	of	of	ADP
american_scientific_journal-5341	5	61	5	5	NUM
american_scientific_journal-5341	5	62	-	-	PUNCT
american_scientific_journal-5341	5	63	oxo-1	oxo-1	NOUN
american_scientific_journal-5341	5	64	-	-	PUNCT
american_scientific_journal-5341	5	65	phenyl-4-(2	phenyl-4-(2	NOUN
american_scientific_journal-5341	5	66	-	-	PUNCT
american_scientific_journal-5341	5	67	phenylhydrazono)4,5dihydro-1h	phenylhydrazono)4,5dihydro-1h	NOUN
american_scientific_journal-5341	5	68	-	-	PUNCT
american_scientific_journal-5341	5	69	pyrazole-3	pyrazole-3	NOUN
american_scientific_journal-5341	5	70	-	-	NOUN
american_scientific_journal-5341	5	71	carbaldehyde	carbaldehyde	NOUN
american_scientific_journal-5341	5	72	.	.	PUNCT
american_scientific_journal-5341	6	1	keywords	keyword	NOUN
american_scientific_journal-5341	6	2	:	:	PUNCT
american_scientific_journal-5341	6	3	pyrazole	pyrazole	NOUN
american_scientific_journal-5341	6	4	carbaldehyde	carbaldehyde	NOUN
american_scientific_journal-5341	6	5	;	;	PUNCT
american_scientific_journal-5341	6	6	dft	dft	PROPN
american_scientific_journal-5341	6	7	;	;	PUNCT
american_scientific_journal-5341	6	8	chemical	chemical	NOUN
american_scientific_journal-5341	6	9	potential	potential	NOUN
american_scientific_journal-5341	6	10	;	;	PUNCT
american_scientific_journal-5341	6	11	hardness	hardness	X
american_scientific_journal-5341	6	12	;	;	PUNCT
american_scientific_journal-5341	6	13	shielding	shield	VERB
american_scientific_journal-5341	6	14	density	density	NOUN
american_scientific_journal-5341	6	15	.	.	PUNCT
american_scientific_journal-5341	7	1	-----------------------------------------------------------------------	-----------------------------------------------------------------------	PUNCT
american_scientific_journal-5341	8	1	*	*	PUNCT
american_scientific_journal-5341	8	2	corresponding	correspond	VERB
american_scientific_journal-5341	8	3	author	author	NOUN
american_scientific_journal-5341	8	4	american	american	PROPN
american_scientific_journal-5341	8	5	scientific	scientific	PROPN
american_scientific_journal-5341	8	6	research	research	PROPN
american_scientific_journal-5341	8	7	journal	journal	NOUN
american_scientific_journal-5341	8	8	for	for	ADP
american_scientific_journal-5341	8	9	engineering	engineering	NOUN
american_scientific_journal-5341	8	10	,	,	PUNCT
american_scientific_journal-5341	8	11	technology	technology	NOUN
american_scientific_journal-5341	8	12	,	,	PUNCT
american_scientific_journal-5341	8	13	and	and	CCONJ
american_scientific_journal-5341	8	14	sciences	science	NOUN
american_scientific_journal-5341	8	15	(	(	PUNCT
american_scientific_journal-5341	8	16	asrjets	asrjet	NOUN
american_scientific_journal-5341	8	17	)	)	PUNCT
american_scientific_journal-5341	8	18	(	(	PUNCT
american_scientific_journal-5341	8	19	2019	2019	NUM
american_scientific_journal-5341	8	20	)	)	PUNCT
american_scientific_journal-5341	8	21	volume	volume	NOUN
american_scientific_journal-5341	8	22	61	61	NUM
american_scientific_journal-5341	8	23	,	,	PUNCT
american_scientific_journal-5341	8	24	no	no	DET
american_scientific_journal-5341	8	25	1	1	NUM
american_scientific_journal-5341	8	26	,	,	PUNCT
american_scientific_journal-5341	8	27	pp	pp	ADV
american_scientific_journal-5341	8	28	75	75	NUM
american_scientific_journal-5341	8	29	-	-	SYM
american_scientific_journal-5341	8	30	91	91	NUM
american_scientific_journal-5341	8	31	76	76	NUM
american_scientific_journal-5341	8	32	1	1	NUM
american_scientific_journal-5341	8	33	.	.	PUNCT
american_scientific_journal-5341	8	34	introduction	introduction	NOUN
american_scientific_journal-5341	8	35	at	at	ADP
american_scientific_journal-5341	8	36	the	the	DET
american_scientific_journal-5341	8	37	end	end	NOUN
american_scientific_journal-5341	8	38	of	of	ADP
american_scientific_journal-5341	8	39	the	the	DET
american_scientific_journal-5341	8	40	1980s	1980	NOUN
american_scientific_journal-5341	8	41	of	of	ADP
american_scientific_journal-5341	8	42	the	the	DET
american_scientific_journal-5341	8	43	twentieth	twentieth	ADJ
american_scientific_journal-5341	8	44	century	century	NOUN
american_scientific_journal-5341	8	45	,	,	PUNCT
american_scientific_journal-5341	8	46	ab	ab	PROPN
american_scientific_journal-5341	8	47	initio	initio	NOUN
american_scientific_journal-5341	8	48	hartree	hartree	ADV
american_scientific_journal-5341	8	49	-	-	PUNCT
american_scientific_journal-5341	8	50	fock	fock	ADJ
american_scientific_journal-5341	8	51	(	(	PUNCT
american_scientific_journal-5341	8	52	hf	hf	NOUN
american_scientific_journal-5341	8	53	)	)	PUNCT
american_scientific_journal-5341	8	54	calculations	calculation	NOUN
american_scientific_journal-5341	9	1	[	[	X
american_scientific_journal-5341	9	2	1	1	NUM
american_scientific_journal-5341	9	3	]	]	PUNCT
american_scientific_journal-5341	9	4	,	,	PUNCT
american_scientific_journal-5341	9	5	enabled	enable	VERB
american_scientific_journal-5341	9	6	the	the	DET
american_scientific_journal-5341	9	7	study	study	NOUN
american_scientific_journal-5341	9	8	of	of	ADP
american_scientific_journal-5341	9	9	the	the	DET
american_scientific_journal-5341	9	10	molecular	molecular	ADJ
american_scientific_journal-5341	9	11	mechanism	mechanism	NOUN
american_scientific_journal-5341	9	12	of	of	ADP
american_scientific_journal-5341	9	13	many	many	ADJ
american_scientific_journal-5341	9	14	organic	organic	ADJ
american_scientific_journal-5341	9	15	reactions	reaction	NOUN
american_scientific_journal-5341	9	16	by	by	ADP
american_scientific_journal-5341	9	17	characterizing	characterize	VERB
american_scientific_journal-5341	9	18	the	the	DET
american_scientific_journal-5341	9	19	stationary	stationary	ADJ
american_scientific_journal-5341	9	20	points	point	NOUN
american_scientific_journal-5341	9	21	involved	involve	VERB
american_scientific_journal-5341	9	22	in	in	ADP
american_scientific_journal-5341	9	23	a	a	DET
american_scientific_journal-5341	9	24	reaction	reaction	NOUN
american_scientific_journal-5341	9	25	.	.	PUNCT
american_scientific_journal-5341	10	1	the	the	DET
american_scientific_journal-5341	10	2	electron	electron	NOUN
american_scientific_journal-5341	10	3	density	density	NOUN
american_scientific_journal-5341	10	4	is	be	AUX
american_scientific_journal-5341	10	5	more	more	ADV
american_scientific_journal-5341	10	6	attractive	attractive	ADJ
american_scientific_journal-5341	10	7	and	and	CCONJ
american_scientific_journal-5341	10	8	effective	effective	ADJ
american_scientific_journal-5341	10	9	in	in	ADP
american_scientific_journal-5341	10	10	explaining	explain	VERB
american_scientific_journal-5341	10	11	properties	property	NOUN
american_scientific_journal-5341	10	12	where	where	SCONJ
american_scientific_journal-5341	10	13	it	it	PRON
american_scientific_journal-5341	10	14	is	be	AUX
american_scientific_journal-5341	10	15	measurable	measurable	ADJ
american_scientific_journal-5341	10	16	depends	depend	VERB
american_scientific_journal-5341	10	17	only	only	ADV
american_scientific_journal-5341	10	18	on	on	ADP
american_scientific_journal-5341	10	19	the	the	DET
american_scientific_journal-5341	10	20	cartesian	cartesian	ADJ
american_scientific_journal-5341	10	21	axes	axis	NOUN
american_scientific_journal-5341	10	22	,	,	PUNCT
american_scientific_journal-5341	10	23	x	x	X
american_scientific_journal-5341	10	24	,	,	PUNCT
american_scientific_journal-5341	10	25	y	y	PROPN
american_scientific_journal-5341	10	26	,	,	PUNCT
american_scientific_journal-5341	10	27	and	and	CCONJ
american_scientific_journal-5341	10	28	z.	z.	PROPN
american_scientific_journal-5341	10	29	the	the	DET
american_scientific_journal-5341	10	30	fact	fact	NOUN
american_scientific_journal-5341	10	31	that	that	SCONJ
american_scientific_journal-5341	10	32	the	the	DET
american_scientific_journal-5341	10	33	ground	ground	NOUN
american_scientific_journal-5341	10	34	state	state	NOUN
american_scientific_journal-5341	10	35	properties	property	NOUN
american_scientific_journal-5341	10	36	are	be	AUX
american_scientific_journal-5341	10	37	functionals	functional	NOUN
american_scientific_journal-5341	10	38	of	of	ADP
american_scientific_journal-5341	10	39	the	the	DET
american_scientific_journal-5341	10	40	electron	electron	NOUN
american_scientific_journal-5341	10	41	density	density	NOUN
american_scientific_journal-5341	10	42	ρ	ρ	PROPN
american_scientific_journal-5341	10	43	(	(	PUNCT
american_scientific_journal-5341	10	44	r	r	NOUN
american_scientific_journal-5341	10	45	)	)	PUNCT
american_scientific_journal-5341	10	46	was	be	AUX
american_scientific_journal-5341	10	47	introduced	introduce	VERB
american_scientific_journal-5341	10	48	by	by	ADP
american_scientific_journal-5341	10	49	hohenberg	hohenberg	PROPN
american_scientific_journal-5341	10	50	and	and	CCONJ
american_scientific_journal-5341	10	51	kohn	kohn	PROPN
american_scientific_journal-5341	11	1	[	[	X
american_scientific_journal-5341	11	2	2	2	NUM
american_scientific_journal-5341	11	3	]	]	PUNCT
american_scientific_journal-5341	11	4	and	and	CCONJ
american_scientific_journal-5341	11	5	it	it	PRON
american_scientific_journal-5341	11	6	is	be	AUX
american_scientific_journal-5341	11	7	the	the	DET
american_scientific_journal-5341	11	8	basic	basic	ADJ
american_scientific_journal-5341	11	9	framework	framework	NOUN
american_scientific_journal-5341	11	10	for	for	ADP
american_scientific_journal-5341	11	11	modern	modern	ADJ
american_scientific_journal-5341	11	12	density	density	NOUN
american_scientific_journal-5341	11	13	functional	functional	ADJ
american_scientific_journal-5341	11	14	(	(	PUNCT
american_scientific_journal-5341	11	15	df	df	NOUN
american_scientific_journal-5341	11	16	)	)	PUNCT
american_scientific_journal-5341	11	17	methods	method	NOUN
american_scientific_journal-5341	11	18	[	[	X
american_scientific_journal-5341	11	19	3	3	NUM
american_scientific_journal-5341	11	20	]	]	PUNCT
american_scientific_journal-5341	11	21	,	,	PUNCT
american_scientific_journal-5341	11	22	where	where	SCONJ
american_scientific_journal-5341	11	23	the	the	DET
american_scientific_journal-5341	11	24	total	total	ADJ
american_scientific_journal-5341	11	25	ground	ground	NOUN
american_scientific_journal-5341	11	26	state	state	NOUN
american_scientific_journal-5341	11	27	energy	energy	NOUN
american_scientific_journal-5341	11	28	of	of	ADP
american_scientific_journal-5341	11	29	an	an	DET
american_scientific_journal-5341	11	30	electron	electron	NOUN
american_scientific_journal-5341	11	31	system	system	NOUN
american_scientific_journal-5341	11	32	can	can	AUX
american_scientific_journal-5341	11	33	be	be	AUX
american_scientific_journal-5341	11	34	written	write	VERB
american_scientific_journal-5341	11	35	as	as	ADP
american_scientific_journal-5341	11	36	a	a	DET
american_scientific_journal-5341	11	37	functional	functional	NOUN
american_scientific_journal-5341	11	38	of	of	ADP
american_scientific_journal-5341	11	39	the	the	DET
american_scientific_journal-5341	11	40	electronic	electronic	ADJ
american_scientific_journal-5341	11	41	density	density	NOUN
american_scientific_journal-5341	11	42	.	.	PUNCT
american_scientific_journal-5341	12	1	at	at	ADP
american_scientific_journal-5341	12	2	the	the	DET
american_scientific_journal-5341	12	3	end	end	NOUN
american_scientific_journal-5341	12	4	of	of	ADP
american_scientific_journal-5341	12	5	the	the	DET
american_scientific_journal-5341	12	6	20th	20th	ADJ
american_scientific_journal-5341	12	7	century	century	NOUN
american_scientific_journal-5341	12	8	,	,	PUNCT
american_scientific_journal-5341	12	9	a	a	DET
american_scientific_journal-5341	12	10	new	new	ADJ
american_scientific_journal-5341	12	11	theory	theory	NOUN
american_scientific_journal-5341	12	12	based	base	VERB
american_scientific_journal-5341	12	13	on	on	ADP
american_scientific_journal-5341	12	14	the	the	DET
american_scientific_journal-5341	12	15	studying	studying	NOUN
american_scientific_journal-5341	12	16	of	of	ADP
american_scientific_journal-5341	12	17	the	the	DET
american_scientific_journal-5341	12	18	electronic	electronic	ADJ
american_scientific_journal-5341	12	19	structure	structure	NOUN
american_scientific_journal-5341	12	20	of	of	ADP
american_scientific_journal-5341	12	21	the	the	DET
american_scientific_journal-5341	12	22	matter	matter	NOUN
american_scientific_journal-5341	12	23	was	be	AUX
american_scientific_journal-5341	12	24	developed	develop	VERB
american_scientific_journal-5341	12	25	,	,	PUNCT
american_scientific_journal-5341	12	26	known	know	VERB
american_scientific_journal-5341	12	27	as	as	ADP
american_scientific_journal-5341	12	28	density	density	NOUN
american_scientific_journal-5341	12	29	functional	functional	ADJ
american_scientific_journal-5341	12	30	theory	theory	NOUN
american_scientific_journal-5341	12	31	(	(	PUNCT
american_scientific_journal-5341	12	32	dft	dft	PROPN
american_scientific_journal-5341	12	33	)	)	PUNCT
american_scientific_journal-5341	12	34	,	,	PUNCT
american_scientific_journal-5341	12	35	after	after	ADP
american_scientific_journal-5341	12	36	its	its	PRON
american_scientific_journal-5341	12	37	applications	application	NOUN
american_scientific_journal-5341	12	38	[	[	X
american_scientific_journal-5341	12	39	4	4	NUM
american_scientific_journal-5341	12	40	-	-	SYM
american_scientific_journal-5341	12	41	7	7	NUM
american_scientific_journal-5341	12	42	]	]	PUNCT
american_scientific_journal-5341	12	43	a	a	DET
american_scientific_journal-5341	12	44	few	few	ADJ
american_scientific_journal-5341	12	45	decades	decade	NOUN
american_scientific_journal-5341	12	46	ago	ago	ADV
american_scientific_journal-5341	12	47	,	,	PUNCT
american_scientific_journal-5341	12	48	dft	dft	PROPN
american_scientific_journal-5341	12	49	has	have	AUX
american_scientific_journal-5341	12	50	been	be	AUX
american_scientific_journal-5341	12	51	recognized	recognize	VERB
american_scientific_journal-5341	12	52	as	as	ADP
american_scientific_journal-5341	12	53	a	a	DET
american_scientific_journal-5341	12	54	powerful	powerful	ADJ
american_scientific_journal-5341	12	55	tool	tool	NOUN
american_scientific_journal-5341	12	56	to	to	PART
american_scientific_journal-5341	12	57	provide	provide	VERB
american_scientific_journal-5341	12	58	theoretical	theoretical	ADJ
american_scientific_journal-5341	12	59	insights	insight	NOUN
american_scientific_journal-5341	12	60	into	into	ADP
american_scientific_journal-5341	12	61	chemical	chemical	ADJ
american_scientific_journal-5341	12	62	reactivity	reactivity	NOUN
american_scientific_journal-5341	12	63	and	and	CCONJ
american_scientific_journal-5341	12	64	how	how	SCONJ
american_scientific_journal-5341	12	65	this	this	PRON
american_scientific_journal-5341	12	66	influences	influence	VERB
american_scientific_journal-5341	12	67	the	the	DET
american_scientific_journal-5341	12	68	synthesis	synthesis	NOUN
american_scientific_journal-5341	12	69	of	of	ADP
american_scientific_journal-5341	12	70	different	different	ADJ
american_scientific_journal-5341	12	71	heterocyclic	heterocyclic	ADJ
american_scientific_journal-5341	12	72	compounds	compound	NOUN
american_scientific_journal-5341	12	73	,	,	PUNCT
american_scientific_journal-5341	12	74	[	[	X
american_scientific_journal-5341	12	75	8	8	NUM
american_scientific_journal-5341	12	76	-	-	SYM
american_scientific_journal-5341	12	77	15	15	NUM
american_scientific_journal-5341	12	78	]	]	PUNCT
american_scientific_journal-5341	12	79	.	.	PUNCT
american_scientific_journal-5341	13	1	the	the	DET
american_scientific_journal-5341	13	2	split	split	ADJ
american_scientific_journal-5341	13	3	-	-	PUNCT
american_scientific_journal-5341	13	4	valence	valence	NOUN
american_scientific_journal-5341	13	5	basis	basis	NOUN
american_scientific_journal-5341	13	6	sets	set	NOUN
american_scientific_journal-5341	13	7	were	be	AUX
american_scientific_journal-5341	13	8	introduced	introduce	VERB
american_scientific_journal-5341	13	9	by	by	ADP
american_scientific_journal-5341	13	10	john	john	PROPN
american_scientific_journal-5341	13	11	pople	pople	PROPN
american_scientific_journal-5341	13	12	and	and	CCONJ
american_scientific_journal-5341	13	13	his	his	PRON
american_scientific_journal-5341	13	14	group	group	NOUN
american_scientific_journal-5341	13	15	in	in	ADP
american_scientific_journal-5341	13	16	the	the	DET
american_scientific_journal-5341	13	17	late	late	ADJ
american_scientific_journal-5341	13	18	1970s	1970	NOUN
american_scientific_journal-5341	13	19	.	.	PUNCT
american_scientific_journal-5341	14	1	there	there	PRON
american_scientific_journal-5341	14	2	are	be	VERB
american_scientific_journal-5341	14	3	an	an	DET
american_scientific_journal-5341	14	4	expansion	expansion	NOUN
american_scientific_journal-5341	14	5	of	of	ADP
american_scientific_journal-5341	14	6	basis	basis	NOUN
american_scientific_journal-5341	14	7	sets	set	NOUN
american_scientific_journal-5341	14	8	to	to	PART
american_scientific_journal-5341	14	9	make	make	VERB
american_scientific_journal-5341	14	10	the	the	DET
american_scientific_journal-5341	14	11	total	total	ADJ
american_scientific_journal-5341	14	12	function	function	NOUN
american_scientific_journal-5341	14	13	more	more	ADV
american_scientific_journal-5341	14	14	accurate	accurate	ADJ
american_scientific_journal-5341	14	15	and	and	CCONJ
american_scientific_journal-5341	14	16	reliable	reliable	ADJ
american_scientific_journal-5341	14	17	.	.	PUNCT
american_scientific_journal-5341	15	1	in	in	ADP
american_scientific_journal-5341	15	2	general	general	ADJ
american_scientific_journal-5341	15	3	,	,	PUNCT
american_scientific_journal-5341	15	4	polarization	polarization	NOUN
american_scientific_journal-5341	15	5	functions	function	NOUN
american_scientific_journal-5341	15	6	significantly	significantly	ADV
american_scientific_journal-5341	15	7	improve	improve	VERB
american_scientific_journal-5341	15	8	the	the	DET
american_scientific_journal-5341	15	9	description	description	NOUN
american_scientific_journal-5341	15	10	of	of	ADP
american_scientific_journal-5341	15	11	molecular	molecular	ADJ
american_scientific_journal-5341	15	12	geometries	geometry	NOUN
american_scientific_journal-5341	15	13	(	(	PUNCT
american_scientific_journal-5341	15	14	bond	bond	NOUN
american_scientific_journal-5341	15	15	lengths	length	NOUN
american_scientific_journal-5341	15	16	and	and	CCONJ
american_scientific_journal-5341	15	17	angles	angle	NOUN
american_scientific_journal-5341	15	18	)	)	PUNCT
american_scientific_journal-5341	15	19	as	as	ADV
american_scientific_journal-5341	15	20	well	well	ADV
american_scientific_journal-5341	15	21	as	as	ADP
american_scientific_journal-5341	15	22	molecular	molecular	ADJ
american_scientific_journal-5341	15	23	relative	relative	ADJ
american_scientific_journal-5341	15	24	energies	energy	NOUN
american_scientific_journal-5341	15	25	.	.	PUNCT
american_scientific_journal-5341	16	1	the	the	DET
american_scientific_journal-5341	16	2	use	use	NOUN
american_scientific_journal-5341	16	3	of	of	ADP
american_scientific_journal-5341	16	4	the	the	DET
american_scientific_journal-5341	16	5	density	density	NOUN
american_scientific_journal-5341	16	6	functional	functional	ADJ
american_scientific_journal-5341	16	7	theory	theory	NOUN
american_scientific_journal-5341	16	8	(	(	PUNCT
american_scientific_journal-5341	16	9	dft	dft	NOUN
american_scientific_journal-5341	16	10	)	)	PUNCT
american_scientific_journal-5341	16	11	calculations	calculation	NOUN
american_scientific_journal-5341	16	12	for	for	ADP
american_scientific_journal-5341	16	13	predicting	predict	VERB
american_scientific_journal-5341	16	14	the	the	DET
american_scientific_journal-5341	16	15	molecular	molecular	ADJ
american_scientific_journal-5341	16	16	structure	structure	NOUN
american_scientific_journal-5341	16	17	,	,	PUNCT
american_scientific_journal-5341	16	18	as	as	ADV
american_scientific_journal-5341	16	19	well	well	ADV
american_scientific_journal-5341	16	20	as	as	ADP
american_scientific_journal-5341	16	21	spectroscopic	spectroscopic	ADJ
american_scientific_journal-5341	16	22	properties	property	NOUN
american_scientific_journal-5341	16	23	of	of	ADP
american_scientific_journal-5341	16	24	organic	organic	ADJ
american_scientific_journal-5341	16	25	compounds	compound	NOUN
american_scientific_journal-5341	16	26	,	,	PUNCT
american_scientific_journal-5341	16	27	are	be	AUX
american_scientific_journal-5341	16	28	of	of	ADP
american_scientific_journal-5341	16	29	great	great	ADJ
american_scientific_journal-5341	16	30	interest	interest	NOUN
american_scientific_journal-5341	16	31	,	,	PUNCT
american_scientific_journal-5341	16	32	and	and	CCONJ
american_scientific_journal-5341	16	33	the	the	DET
american_scientific_journal-5341	16	34	selection	selection	NOUN
american_scientific_journal-5341	16	35	of	of	ADP
american_scientific_journal-5341	16	36	the	the	DET
american_scientific_journal-5341	16	37	proper	proper	ADJ
american_scientific_journal-5341	16	38	basis	basis	NOUN
american_scientific_journal-5341	16	39	set	set	NOUN
american_scientific_journal-5341	16	40	for	for	ADP
american_scientific_journal-5341	16	41	the	the	DET
american_scientific_journal-5341	16	42	optimization	optimization	NOUN
american_scientific_journal-5341	16	43	of	of	ADP
american_scientific_journal-5341	16	44	the	the	DET
american_scientific_journal-5341	16	45	studied	study	VERB
american_scientific_journal-5341	16	46	molecule	molecule	NOUN
american_scientific_journal-5341	16	47	is	be	AUX
american_scientific_journal-5341	16	48	very	very	ADV
american_scientific_journal-5341	16	49	important	important	ADJ
american_scientific_journal-5341	16	50	.	.	PUNCT
american_scientific_journal-5341	17	1	[	[	X
american_scientific_journal-5341	17	2	16	16	NUM
american_scientific_journal-5341	17	3	-	-	SYM
american_scientific_journal-5341	17	4	19	19	NUM
american_scientific_journal-5341	17	5	]	]	PUNCT
american_scientific_journal-5341	17	6	.	.	PUNCT
american_scientific_journal-5341	18	1	it	it	PRON
american_scientific_journal-5341	18	2	has	have	AUX
american_scientific_journal-5341	18	3	been	be	AUX
american_scientific_journal-5341	18	4	reported	report	VERB
american_scientific_journal-5341	18	5	that	that	SCONJ
american_scientific_journal-5341	18	6	a	a	DET
american_scientific_journal-5341	18	7	large	large	ADJ
american_scientific_journal-5341	18	8	number	number	NOUN
american_scientific_journal-5341	18	9	of	of	ADP
american_scientific_journal-5341	18	10	interesting	interesting	ADJ
american_scientific_journal-5341	18	11	pharmaceutical	pharmaceutical	ADJ
american_scientific_journal-5341	18	12	heterocyclic	heterocyclic	ADJ
american_scientific_journal-5341	18	13	derivatives	derivative	NOUN
american_scientific_journal-5341	18	14	have	have	AUX
american_scientific_journal-5341	18	15	been	be	AUX
american_scientific_journal-5341	18	16	synthesized	synthesize	VERB
american_scientific_journal-5341	18	17	using	use	VERB
american_scientific_journal-5341	18	18	the	the	DET
american_scientific_journal-5341	18	19	title	title	NOUN
american_scientific_journal-5341	18	20	compound	compound	NOUN
american_scientific_journal-5341	18	21	5	5	NUM
american_scientific_journal-5341	18	22	-	-	PUNCT
american_scientific_journal-5341	18	23	oxo-1	oxo-1	NOUN
american_scientific_journal-5341	18	24	-	-	PUNCT
american_scientific_journal-5341	18	25	phenyl-4-(2	phenyl-4-(2	NOUN
american_scientific_journal-5341	18	26	-	-	PUNCT
american_scientific_journal-5341	18	27	phenylhydrazone)-4,5	phenylhydrazone)-4,5	NOUN
american_scientific_journal-5341	18	28	-	-	PUNCT
american_scientific_journal-5341	18	29	dihydro-1h	dihydro-1h	NOUN
american_scientific_journal-5341	18	30	-	-	PUNCT
american_scientific_journal-5341	18	31	pyrazol-3	pyrazol-3	NUM
american_scientific_journal-5341	18	32	-	-	PUNCT
american_scientific_journal-5341	18	33	yl)-3	yl)-3	NOUN
american_scientific_journal-5341	18	34	-	-	PUNCT
american_scientific_journal-5341	18	35	carbaldehyde	carbaldehyde	NOUN
american_scientific_journal-5341	18	36	,	,	PUNCT
american_scientific_journal-5341	18	37	this	this	PRON
american_scientific_journal-5341	18	38	attract	attract	VERB
american_scientific_journal-5341	18	39	our	our	PRON
american_scientific_journal-5341	18	40	attention	attention	NOUN
american_scientific_journal-5341	18	41	to	to	PART
american_scientific_journal-5341	18	42	study	study	VERB
american_scientific_journal-5341	18	43	theoretically	theoretically	ADV
american_scientific_journal-5341	18	44	the	the	DET
american_scientific_journal-5341	18	45	activity	activity	NOUN
american_scientific_journal-5341	18	46	of	of	ADP
american_scientific_journal-5341	18	47	the	the	DET
american_scientific_journal-5341	18	48	pyrazole	pyrazole	NOUN
american_scientific_journal-5341	18	49	-	-	PUNCT
american_scientific_journal-5341	18	50	aldehyde	aldehyde	NOUN
american_scientific_journal-5341	18	51	as	as	ADP
american_scientific_journal-5341	18	52	a	a	DET
american_scientific_journal-5341	18	53	reaction	reaction	NOUN
american_scientific_journal-5341	18	54	intermediate	intermediate	ADJ
american_scientific_journal-5341	18	55	in	in	ADP
american_scientific_journal-5341	18	56	organic	organic	ADJ
american_scientific_journal-5341	18	57	synthesis	synthesis	NOUN
american_scientific_journal-5341	18	58	[	[	PUNCT
american_scientific_journal-5341	18	59	20	20	NUM
american_scientific_journal-5341	18	60	-	-	SYM
american_scientific_journal-5341	18	61	22	22	NUM
american_scientific_journal-5341	18	62	]	]	PUNCT
american_scientific_journal-5341	18	63	.	.	PUNCT
american_scientific_journal-5341	19	1	from	from	ADP
american_scientific_journal-5341	19	2	this	this	DET
american_scientific_journal-5341	19	3	point	point	NOUN
american_scientific_journal-5341	19	4	of	of	ADP
american_scientific_journal-5341	19	5	view	view	NOUN
american_scientific_journal-5341	19	6	,	,	PUNCT
american_scientific_journal-5341	19	7	dft	dft	PROPN
american_scientific_journal-5341	19	8	calculations	calculation	NOUN
american_scientific_journal-5341	19	9	have	have	AUX
american_scientific_journal-5341	19	10	been	be	AUX
american_scientific_journal-5341	19	11	applied	apply	VERB
american_scientific_journal-5341	19	12	on	on	ADP
american_scientific_journal-5341	19	13	the	the	DET
american_scientific_journal-5341	19	14	title	title	NOUN
american_scientific_journal-5341	19	15	aldehyde	aldehyde	NOUN
american_scientific_journal-5341	19	16	computed	compute	VERB
american_scientific_journal-5341	19	17	at	at	ADP
american_scientific_journal-5341	19	18	the	the	DET
american_scientific_journal-5341	19	19	lee	lee	PROPN
american_scientific_journal-5341	19	20	,	,	PUNCT
american_scientific_journal-5341	19	21	yang	yang	PROPN
american_scientific_journal-5341	19	22	,	,	PUNCT
american_scientific_journal-5341	19	23	and	and	CCONJ
american_scientific_journal-5341	19	24	parr	parr	PROPN
american_scientific_journal-5341	19	25	correlation	correlation	NOUN
american_scientific_journal-5341	19	26	energy	energy	NOUN
american_scientific_journal-5341	19	27	functional	functional	ADJ
american_scientific_journal-5341	19	28	dft	dft	PROPN
american_scientific_journal-5341	19	29	/	/	SYM
american_scientific_journal-5341	19	30	b3lyp	b3lyp	PROPN
american_scientific_journal-5341	19	31	at	at	ADP
american_scientific_journal-5341	19	32	the	the	DET
american_scientific_journal-5341	19	33	triply	triply	ADV
american_scientific_journal-5341	19	34	split	split	VERB
american_scientific_journal-5341	19	35	valence	valence	NOUN
american_scientific_journal-5341	19	36	basis	basis	NOUN
american_scientific_journal-5341	19	37	set	set	NOUN
american_scientific_journal-5341	19	38	6311	6311	NUM
american_scientific_journal-5341	19	39	g	g	PROPN
american_scientific_journal-5341	19	40	(	(	PUNCT
american_scientific_journal-5341	19	41	d	d	PROPN
american_scientific_journal-5341	19	42	,	,	PUNCT
american_scientific_journal-5341	19	43	p	p	NOUN
american_scientific_journal-5341	19	44	)	)	PUNCT
american_scientific_journal-5341	19	45	to	to	PART
american_scientific_journal-5341	19	46	generate	generate	VERB
american_scientific_journal-5341	19	47	quantum	quantum	ADJ
american_scientific_journal-5341	19	48	mechanical	mechanical	ADJ
american_scientific_journal-5341	19	49	descriptors	descriptor	NOUN
american_scientific_journal-5341	19	50	used	use	VERB
american_scientific_journal-5341	19	51	in	in	ADP
american_scientific_journal-5341	19	52	quantitative	quantitative	ADJ
american_scientific_journal-5341	19	53	structure	structure	NOUN
american_scientific_journal-5341	19	54	-	-	PUNCT
american_scientific_journal-5341	19	55	activity	activity	NOUN
american_scientific_journal-5341	19	56	relationship	relationship	NOUN
american_scientific_journal-5341	19	57	(	(	PUNCT
american_scientific_journal-5341	19	58	qsar	qsar	NOUN
american_scientific_journal-5341	19	59	)	)	PUNCT
american_scientific_journal-5341	19	60	to	to	PART
american_scientific_journal-5341	19	61	explain	explain	VERB
american_scientific_journal-5341	19	62	its	its	PRON
american_scientific_journal-5341	19	63	geometrical	geometrical	ADJ
american_scientific_journal-5341	19	64	and	and	CCONJ
american_scientific_journal-5341	19	65	energetic	energetic	ADJ
american_scientific_journal-5341	19	66	properties	property	NOUN
american_scientific_journal-5341	19	67	.	.	PUNCT
american_scientific_journal-5341	20	1	experimentally	experimentally	ADV
american_scientific_journal-5341	20	2	obtained	obtain	VERB
american_scientific_journal-5341	20	3	physical	physical	ADJ
american_scientific_journal-5341	20	4	and	and	CCONJ
american_scientific_journal-5341	20	5	spectroscopic	spectroscopic	NOUN
american_scientific_journal-5341	20	6	properties	property	NOUN
american_scientific_journal-5341	20	7	will	will	AUX
american_scientific_journal-5341	20	8	be	be	AUX
american_scientific_journal-5341	20	9	presented	present	VERB
american_scientific_journal-5341	20	10	and	and	CCONJ
american_scientific_journal-5341	20	11	validated	validate	VERB
american_scientific_journal-5341	20	12	by	by	ADP
american_scientific_journal-5341	20	13	theoretical	theoretical	ADJ
american_scientific_journal-5341	20	14	parameters	parameter	NOUN
american_scientific_journal-5341	20	15	related	relate	VERB
american_scientific_journal-5341	20	16	to	to	ADP
american_scientific_journal-5341	20	17	the	the	DET
american_scientific_journal-5341	20	18	molecular	molecular	ADJ
american_scientific_journal-5341	20	19	reactivities	reactivity	NOUN
american_scientific_journal-5341	20	20	such	such	ADJ
american_scientific_journal-5341	20	21	as	as	ADP
american_scientific_journal-5341	20	22	electronegativity	electronegativity	NOUN
american_scientific_journal-5341	20	23	,	,	PUNCT
american_scientific_journal-5341	20	24	dipole	dipole	NOUN
american_scientific_journal-5341	20	25	moment	moment	NOUN
american_scientific_journal-5341	20	26	,	,	PUNCT
american_scientific_journal-5341	20	27	electrophilicity	electrophilicity	NOUN
american_scientific_journal-5341	20	28	,	,	PUNCT
american_scientific_journal-5341	20	29	chemical	chemical	NOUN
american_scientific_journal-5341	20	30	potential	potential	NOUN
american_scientific_journal-5341	20	31	,	,	PUNCT
american_scientific_journal-5341	20	32	softness	softness	NOUN
american_scientific_journal-5341	20	33	and	and	CCONJ
american_scientific_journal-5341	20	34	hardness	hardness	NOUN
american_scientific_journal-5341	20	35	which	which	PRON
american_scientific_journal-5341	20	36	are	be	AUX
american_scientific_journal-5341	20	37	obtained	obtain	VERB
american_scientific_journal-5341	20	38	by	by	ADP
american_scientific_journal-5341	20	39	quantum	quantum	ADJ
american_scientific_journal-5341	20	40	chemical	chemical	NOUN
american_scientific_journal-5341	20	41	computations	computation	NOUN
american_scientific_journal-5341	20	42	using	use	VERB
american_scientific_journal-5341	20	43	dft	dft	PROPN
american_scientific_journal-5341	20	44	approximations	approximation	NOUN
american_scientific_journal-5341	20	45	[	[	X
american_scientific_journal-5341	20	46	14,15	14,15	NUM
american_scientific_journal-5341	20	47	,	,	PUNCT
american_scientific_journal-5341	20	48	23	23	NUM
american_scientific_journal-5341	20	49	-	-	SYM
american_scientific_journal-5341	20	50	27	27	NUM
american_scientific_journal-5341	20	51	]	]	PUNCT
american_scientific_journal-5341	20	52	.	.	PUNCT
american_scientific_journal-5341	21	1	the	the	DET
american_scientific_journal-5341	21	2	electrostatic	electrostatic	ADJ
american_scientific_journal-5341	21	3	surface	surface	NOUN
american_scientific_journal-5341	21	4	potential	potential	ADJ
american_scientific_journal-5341	21	5	maps	map	NOUN
american_scientific_journal-5341	21	6	(	(	PUNCT
american_scientific_journal-5341	21	7	esp	esp	ADJ
american_scientific_journal-5341	21	8	)	)	PUNCT
american_scientific_journal-5341	21	9	maps	map	NOUN
american_scientific_journal-5341	21	10	of	of	ADP
american_scientific_journal-5341	21	11	the	the	DET
american_scientific_journal-5341	21	12	energetically	energetically	ADV
american_scientific_journal-5341	21	13	optimized	optimize	VERB
american_scientific_journal-5341	21	14	molecules	molecule	NOUN
american_scientific_journal-5341	21	15	will	will	AUX
american_scientific_journal-5341	21	16	also	also	ADV
american_scientific_journal-5341	21	17	be	be	AUX
american_scientific_journal-5341	21	18	reported	report	VERB
american_scientific_journal-5341	21	19	[	[	X
american_scientific_journal-5341	21	20	28,29	28,29	NUM
american_scientific_journal-5341	21	21	]	]	X
american_scientific_journal-5341	21	22	.	.	PUNCT
american_scientific_journal-5341	22	1	2	2	X
american_scientific_journal-5341	22	2	.	.	X
american_scientific_journal-5341	22	3	materials	material	NOUN
american_scientific_journal-5341	22	4	and	and	CCONJ
american_scientific_journal-5341	22	5	methods	method	NOUN
american_scientific_journal-5341	22	6	computations	computation	NOUN
american_scientific_journal-5341	22	7	were	be	AUX
american_scientific_journal-5341	22	8	performed	perform	VERB
american_scientific_journal-5341	22	9	using	use	VERB
american_scientific_journal-5341	22	10	,	,	PUNCT
american_scientific_journal-5341	22	11	ab	ab	PROPN
american_scientific_journal-5341	22	12	initio/	initio/	PROPN
american_scientific_journal-5341	22	13	dft	dft	PROPN
american_scientific_journal-5341	22	14	/b3lyp	/b3lyp	PUNCT
american_scientific_journal-5341	23	1	[	[	X
american_scientific_journal-5341	23	2	30,31	30,31	NUM
american_scientific_journal-5341	23	3	]	]	PUNCT
american_scientific_journal-5341	23	4	from	from	ADP
american_scientific_journal-5341	23	5	gaussian	gaussian	ADJ
american_scientific_journal-5341	23	6	09	09	NUM
american_scientific_journal-5341	23	7	program	program	NOUN
american_scientific_journal-5341	23	8	package	package	NOUN
american_scientific_journal-5341	23	9	,	,	PUNCT
american_scientific_journal-5341	23	10	gaussview	gaussview	NOUN
american_scientific_journal-5341	23	11	05	05	NUM
american_scientific_journal-5341	23	12	program	program	NOUN
american_scientific_journal-5341	24	1	[	[	X
american_scientific_journal-5341	24	2	32	32	NUM
american_scientific_journal-5341	24	3	-	-	SYM
american_scientific_journal-5341	24	4	34	34	NUM
american_scientific_journal-5341	24	5	]	]	PUNCT
american_scientific_journal-5341	24	6	.	.	PUNCT
american_scientific_journal-5341	25	1	was	be	AUX
american_scientific_journal-5341	25	2	used	use	VERB
american_scientific_journal-5341	25	3	to	to	PART
american_scientific_journal-5341	25	4	get	get	VERB
american_scientific_journal-5341	25	5	the	the	DET
american_scientific_journal-5341	25	6	graphical	graphical	ADJ
american_scientific_journal-5341	25	7	presentations	presentation	NOUN
american_scientific_journal-5341	25	8	of	of	ADP
american_scientific_journal-5341	25	9	calculated	calculate	VERB
american_scientific_journal-5341	25	10	ir	ir	PROPN
american_scientific_journal-5341	25	11	and	and	CCONJ
american_scientific_journal-5341	25	12	1	1	NUM
american_scientific_journal-5341	25	13	h	h	ADJ
american_scientific_journal-5341	25	14	-	-	PUNCT
american_scientific_journal-5341	25	15	nmr	nmr	NOUN
american_scientific_journal-5341	25	16	spectra	spectra	NOUN
american_scientific_journal-5341	25	17	.	.	PROPN
american_scientific_journal-5341	26	1	harmonic	harmonic	ADJ
american_scientific_journal-5341	26	2	vibrational	vibrational	ADJ
american_scientific_journal-5341	26	3	frequencies	frequency	NOUN
american_scientific_journal-5341	26	4	of	of	ADP
american_scientific_journal-5341	26	5	the	the	DET
american_scientific_journal-5341	26	6	optimized	optimize	VERB
american_scientific_journal-5341	26	7	geometries	geometry	NOUN
american_scientific_journal-5341	26	8	were	be	AUX
american_scientific_journal-5341	26	9	calculated	calculate	VERB
american_scientific_journal-5341	26	10	by	by	ADP
american_scientific_journal-5341	26	11	employing	employ	VERB
american_scientific_journal-5341	26	12	the	the	DET
american_scientific_journal-5341	26	13	widely	widely	ADV
american_scientific_journal-5341	26	14	used	use	VERB
american_scientific_journal-5341	26	15	b3lyp	b3lyp	NOUN
american_scientific_journal-5341	26	16	/6	/6	PUNCT
american_scientific_journal-5341	26	17	-	-	PUNCT
american_scientific_journal-5341	26	18	311	311	NUM
american_scientific_journal-5341	26	19	g	g	NOUN
american_scientific_journal-5341	26	20	(	(	PUNCT
american_scientific_journal-5341	26	21	d	d	PROPN
american_scientific_journal-5341	26	22	,	,	PUNCT
american_scientific_journal-5341	26	23	p	p	NOUN
american_scientific_journal-5341	26	24	)	)	PUNCT
american_scientific_journal-5341	26	25	model	model	NOUN
american_scientific_journal-5341	26	26	,	,	PUNCT
american_scientific_journal-5341	26	27	in	in	ADP
american_scientific_journal-5341	26	28	order	order	NOUN
american_scientific_journal-5341	26	29	to	to	PART
american_scientific_journal-5341	26	30	verify	verify	VERB
american_scientific_journal-5341	26	31	that	that	SCONJ
american_scientific_journal-5341	26	32	they	they	PRON
american_scientific_journal-5341	26	33	are	be	AUX
american_scientific_journal-5341	26	34	true	true	ADJ
american_scientific_journal-5341	26	35	minima	minima	NOUN
american_scientific_journal-5341	26	36	(	(	PUNCT
american_scientific_journal-5341	26	37	with	with	ADP
american_scientific_journal-5341	26	38	zero	zero	NUM
american_scientific_journal-5341	26	39	imaginary	imaginary	ADJ
american_scientific_journal-5341	26	40	frequencies	frequency	NOUN
american_scientific_journal-5341	26	41	)	)	PUNCT
american_scientific_journal-5341	26	42	.	.	PUNCT
american_scientific_journal-5341	27	1	the	the	DET
american_scientific_journal-5341	27	2	calculation	calculation	NOUN
american_scientific_journal-5341	27	3	of	of	ADP
american_scientific_journal-5341	27	4	1	1	NUM
american_scientific_journal-5341	27	5	h	h	NOUN
american_scientific_journal-5341	27	6	nmr	nmr	NOUN
american_scientific_journal-5341	27	7	chemical	chemical	NOUN
american_scientific_journal-5341	27	8	shifts	shift	NOUN
american_scientific_journal-5341	27	9	was	be	AUX
american_scientific_journal-5341	27	10	performed	perform	VERB
american_scientific_journal-5341	27	11	by	by	ADP
american_scientific_journal-5341	27	12	gauge	gauge	NOUN
american_scientific_journal-5341	27	13	induced	induce	VERB
american_scientific_journal-5341	27	14	atomic	atomic	ADJ
american_scientific_journal-5341	27	15	orbital	orbital	NOUN
american_scientific_journal-5341	27	16	(	(	PUNCT
american_scientific_journal-5341	27	17	giao	giao	NOUN
american_scientific_journal-5341	27	18	)	)	PUNCT
american_scientific_journal-5341	27	19	method	method	NOUN
american_scientific_journal-5341	27	20	at	at	ADP
american_scientific_journal-5341	27	21	the	the	DET
american_scientific_journal-5341	27	22	same	same	ADJ
american_scientific_journal-5341	27	23	level	level	NOUN
american_scientific_journal-5341	27	24	of	of	ADP
american_scientific_journal-5341	27	25	theory	theory	NOUN
american_scientific_journal-5341	27	26	.	.	PUNCT
american_scientific_journal-5341	28	1	3	3	X
american_scientific_journal-5341	28	2	.	.	NOUN
american_scientific_journal-5341	28	3	results	result	NOUN
american_scientific_journal-5341	28	4	and	and	CCONJ
american_scientific_journal-5341	28	5	discussion	discussion	NOUN
american_scientific_journal-5341	28	6	3.1	3.1	NUM
american_scientific_journal-5341	28	7	.	.	PUNCT
american_scientific_journal-5341	29	1	optimization	optimization	NOUN
american_scientific_journal-5341	29	2	calculations	calculation	NOUN
american_scientific_journal-5341	29	3	american	american	PROPN
american_scientific_journal-5341	29	4	scientific	scientific	ADJ
american_scientific_journal-5341	29	5	research	research	NOUN
american_scientific_journal-5341	29	6	journal	journal	NOUN
american_scientific_journal-5341	29	7	for	for	ADP
american_scientific_journal-5341	29	8	engineering	engineering	NOUN
american_scientific_journal-5341	29	9	,	,	PUNCT
american_scientific_journal-5341	29	10	technology	technology	NOUN
american_scientific_journal-5341	29	11	,	,	PUNCT
american_scientific_journal-5341	29	12	and	and	CCONJ
american_scientific_journal-5341	29	13	sciences	science	NOUN
american_scientific_journal-5341	29	14	(	(	PUNCT
american_scientific_journal-5341	29	15	asrjets	asrjet	NOUN
american_scientific_journal-5341	29	16	)	)	PUNCT
american_scientific_journal-5341	29	17	(	(	PUNCT
american_scientific_journal-5341	29	18	2019	2019	NUM
american_scientific_journal-5341	29	19	)	)	PUNCT
american_scientific_journal-5341	29	20	volume	volume	NOUN
american_scientific_journal-5341	29	21	61	61	NUM
american_scientific_journal-5341	29	22	,	,	PUNCT
american_scientific_journal-5341	29	23	no	no	DET
american_scientific_journal-5341	29	24	1	1	NUM
american_scientific_journal-5341	29	25	,	,	PUNCT
american_scientific_journal-5341	29	26	pp	pp	ADV
american_scientific_journal-5341	29	27	75	75	NUM
american_scientific_journal-5341	29	28	-	-	SYM
american_scientific_journal-5341	29	29	91	91	NUM
american_scientific_journal-5341	29	30	77	77	NUM
american_scientific_journal-5341	29	31	the	the	DET
american_scientific_journal-5341	29	32	aim	aim	NOUN
american_scientific_journal-5341	29	33	of	of	ADP
american_scientific_journal-5341	29	34	the	the	DET
american_scientific_journal-5341	29	35	present	present	ADJ
american_scientific_journal-5341	29	36	work	work	NOUN
american_scientific_journal-5341	29	37	was	be	AUX
american_scientific_journal-5341	29	38	to	to	PART
american_scientific_journal-5341	29	39	describe	describe	VERB
american_scientific_journal-5341	29	40	and	and	CCONJ
american_scientific_journal-5341	29	41	characterize	characterize	VERB
american_scientific_journal-5341	29	42	the	the	DET
american_scientific_journal-5341	29	43	molecular	molecular	ADJ
american_scientific_journal-5341	29	44	structure	structure	NOUN
american_scientific_journal-5341	29	45	,	,	PUNCT
american_scientific_journal-5341	29	46	vibrational	vibrational	ADJ
american_scientific_journal-5341	29	47	frequencies	frequency	NOUN
american_scientific_journal-5341	29	48	and	and	CCONJ
american_scientific_journal-5341	29	49	chemical	chemical	ADJ
american_scientific_journal-5341	29	50	shifts	shift	NOUN
american_scientific_journal-5341	29	51	of	of	ADP
american_scientific_journal-5341	29	52	the	the	DET
american_scientific_journal-5341	29	53	starting	start	VERB
american_scientific_journal-5341	29	54	pyrazole	pyrazole	NOUN
american_scientific_journal-5341	29	55	carbaldehyde	carbaldehyde	NOUN
american_scientific_journal-5341	29	56	.	.	PUNCT
american_scientific_journal-5341	30	1	the	the	DET
american_scientific_journal-5341	30	2	title	title	NOUN
american_scientific_journal-5341	30	3	compound	compound	NOUN
american_scientific_journal-5341	30	4	was	be	AUX
american_scientific_journal-5341	30	5	computed	compute	VERB
american_scientific_journal-5341	30	6	using	use	VERB
american_scientific_journal-5341	30	7	dft	dft	PROPN
american_scientific_journal-5341	30	8	/	/	SYM
american_scientific_journal-5341	30	9	b3lyp	b3lyp	PROPN
american_scientific_journal-5341	30	10	6311	6311	NUM
american_scientific_journal-5341	30	11	g	g	NOUN
american_scientific_journal-5341	30	12	(	(	PUNCT
american_scientific_journal-5341	30	13	d	d	PROPN
american_scientific_journal-5341	30	14	,	,	PUNCT
american_scientific_journal-5341	30	15	p	p	NOUN
american_scientific_journal-5341	30	16	)	)	PUNCT
american_scientific_journal-5341	30	17	in	in	ADP
american_scientific_journal-5341	30	18	gas	gas	NOUN
american_scientific_journal-5341	30	19	phase	phase	NOUN
american_scientific_journal-5341	30	20	and	and	CCONJ
american_scientific_journal-5341	30	21	in	in	ADP
american_scientific_journal-5341	30	22	acetonitrile	acetonitrile	NOUN
american_scientific_journal-5341	30	23	as	as	ADP
american_scientific_journal-5341	30	24	aprotic	aprotic	ADJ
american_scientific_journal-5341	30	25	solvent	solvent	NOUN
american_scientific_journal-5341	30	26	,	,	PUNCT
american_scientific_journal-5341	30	27	the	the	DET
american_scientific_journal-5341	30	28	results	result	NOUN
american_scientific_journal-5341	30	29	showed	show	VERB
american_scientific_journal-5341	30	30	that	that	SCONJ
american_scientific_journal-5341	30	31	there	there	PRON
american_scientific_journal-5341	30	32	is	be	VERB
american_scientific_journal-5341	30	33	no	no	DET
american_scientific_journal-5341	30	34	significant	significant	ADJ
american_scientific_journal-5341	30	35	difference	difference	NOUN
american_scientific_journal-5341	30	36	between	between	ADP
american_scientific_journal-5341	30	37	the	the	DET
american_scientific_journal-5341	30	38	data	datum	NOUN
american_scientific_journal-5341	30	39	obtained	obtain	VERB
american_scientific_journal-5341	30	40	from	from	ADP
american_scientific_journal-5341	30	41	both	both	DET
american_scientific_journal-5341	30	42	media	medium	NOUN
american_scientific_journal-5341	30	43	,	,	PUNCT
american_scientific_journal-5341	30	44	and	and	CCONJ
american_scientific_journal-5341	30	45	this	this	PRON
american_scientific_journal-5341	30	46	reflects	reflect	VERB
american_scientific_journal-5341	30	47	that	that	SCONJ
american_scientific_journal-5341	30	48	there	there	PRON
american_scientific_journal-5341	30	49	is	be	VERB
american_scientific_journal-5341	30	50	no	no	DET
american_scientific_journal-5341	30	51	solvent	solvent	ADJ
american_scientific_journal-5341	30	52	effect	effect	NOUN
american_scientific_journal-5341	30	53	by	by	ADP
american_scientific_journal-5341	30	54	acetonitrile	acetonitrile	NOUN
american_scientific_journal-5341	30	55	,	,	PUNCT
american_scientific_journal-5341	30	56	so	so	SCONJ
american_scientific_journal-5341	30	57	we	we	PRON
american_scientific_journal-5341	30	58	herein	herein	AUX
american_scientific_journal-5341	30	59	discuss	discuss	VERB
american_scientific_journal-5341	30	60	the	the	DET
american_scientific_journal-5341	30	61	results	result	NOUN
american_scientific_journal-5341	30	62	obtained	obtain	VERB
american_scientific_journal-5341	30	63	from	from	ADP
american_scientific_journal-5341	30	64	the	the	DET
american_scientific_journal-5341	30	65	study	study	NOUN
american_scientific_journal-5341	30	66	in	in	ADP
american_scientific_journal-5341	30	67	the	the	DET
american_scientific_journal-5341	30	68	gas	gas	NOUN
american_scientific_journal-5341	30	69	phase	phase	NOUN
american_scientific_journal-5341	30	70	only	only	ADV
american_scientific_journal-5341	30	71	.	.	PUNCT
american_scientific_journal-5341	31	1	the	the	DET
american_scientific_journal-5341	31	2	optimized	optimize	VERB
american_scientific_journal-5341	31	3	structure	structure	NOUN
american_scientific_journal-5341	31	4	with	with	ADP
american_scientific_journal-5341	31	5	mulliken	mulliken	ADJ
american_scientific_journal-5341	31	6	charge	charge	NOUN
american_scientific_journal-5341	31	7	numbers	number	NOUN
american_scientific_journal-5341	31	8	of	of	ADP
american_scientific_journal-5341	31	9	the	the	DET
american_scientific_journal-5341	31	10	computed	compute	VERB
american_scientific_journal-5341	31	11	compound	compound	NOUN
american_scientific_journal-5341	31	12	is	be	AUX
american_scientific_journal-5341	31	13	shown	show	VERB
american_scientific_journal-5341	31	14	in	in	ADP
american_scientific_journal-5341	31	15	figure	figure	NOUN
american_scientific_journal-5341	31	16	1	1	NUM
american_scientific_journal-5341	31	17	.	.	PUNCT
american_scientific_journal-5341	31	18	figure	figure	NOUN
american_scientific_journal-5341	31	19	1	1	NUM
american_scientific_journal-5341	31	20	:	:	PUNCT
american_scientific_journal-5341	31	21	optimized	optimize	VERB
american_scientific_journal-5341	31	22	structure	structure	NOUN
american_scientific_journal-5341	31	23	of	of	ADP
american_scientific_journal-5341	31	24	the	the	DET
american_scientific_journal-5341	31	25	title	title	NOUN
american_scientific_journal-5341	31	26	compound	compound	NOUN
american_scientific_journal-5341	31	27	calculated	calculate	VERB
american_scientific_journal-5341	31	28	the	the	DET
american_scientific_journal-5341	31	29	plots	plot	NOUN
american_scientific_journal-5341	31	30	display	display	VERB
american_scientific_journal-5341	31	31	the	the	DET
american_scientific_journal-5341	31	32	total	total	ADJ
american_scientific_journal-5341	31	33	energy	energy	NOUN
american_scientific_journal-5341	31	34	of	of	ADP
american_scientific_journal-5341	31	35	the	the	DET
american_scientific_journal-5341	31	36	optimized	optimize	VERB
american_scientific_journal-5341	31	37	structure	structure	NOUN
american_scientific_journal-5341	31	38	is	be	AUX
american_scientific_journal-5341	31	39	shown	show	VERB
american_scientific_journal-5341	31	40	in	in	ADP
american_scientific_journal-5341	31	41	figure	figure	NOUN
american_scientific_journal-5341	31	42	2	2	NUM
american_scientific_journal-5341	31	43	.	.	PUNCT
american_scientific_journal-5341	31	44	figure	figure	NOUN
american_scientific_journal-5341	31	45	2	2	NUM
american_scientific_journal-5341	31	46	:	:	PUNCT
american_scientific_journal-5341	31	47	total	total	ADJ
american_scientific_journal-5341	31	48	energy	energy	NOUN
american_scientific_journal-5341	31	49	optimization	optimization	NOUN
american_scientific_journal-5341	31	50	of	of	ADP
american_scientific_journal-5341	31	51	the	the	DET
american_scientific_journal-5341	31	52	title	title	NOUN
american_scientific_journal-5341	31	53	compound	compound	NOUN
american_scientific_journal-5341	31	54	american	american	PROPN
american_scientific_journal-5341	31	55	scientific	scientific	PROPN
american_scientific_journal-5341	31	56	research	research	PROPN
american_scientific_journal-5341	31	57	journal	journal	NOUN
american_scientific_journal-5341	31	58	for	for	ADP
american_scientific_journal-5341	31	59	engineering	engineering	NOUN
american_scientific_journal-5341	31	60	,	,	PUNCT
american_scientific_journal-5341	31	61	technology	technology	NOUN
american_scientific_journal-5341	31	62	,	,	PUNCT
american_scientific_journal-5341	31	63	and	and	CCONJ
american_scientific_journal-5341	31	64	sciences	science	NOUN
american_scientific_journal-5341	31	65	(	(	PUNCT
american_scientific_journal-5341	31	66	asrjets	asrjet	NOUN
american_scientific_journal-5341	31	67	)	)	PUNCT
american_scientific_journal-5341	31	68	(	(	PUNCT
american_scientific_journal-5341	31	69	2019	2019	NUM
american_scientific_journal-5341	31	70	)	)	PUNCT
american_scientific_journal-5341	31	71	volume	volume	NOUN
american_scientific_journal-5341	31	72	61	61	NUM
american_scientific_journal-5341	31	73	,	,	PUNCT
american_scientific_journal-5341	31	74	no	no	DET
american_scientific_journal-5341	31	75	1	1	NUM
american_scientific_journal-5341	31	76	,	,	PUNCT
american_scientific_journal-5341	31	77	pp	pp	ADV
american_scientific_journal-5341	31	78	75	75	NUM
american_scientific_journal-5341	31	79	-	-	SYM
american_scientific_journal-5341	31	80	91	91	NUM
american_scientific_journal-5341	31	81	78	78	NUM
american_scientific_journal-5341	31	82	3.2	3.2	NUM
american_scientific_journal-5341	31	83	.	.	PUNCT
american_scientific_journal-5341	32	1	mulliken	mulliken	NOUN
american_scientific_journal-5341	32	2	charges	charge	NOUN
american_scientific_journal-5341	32	3	and	and	CCONJ
american_scientific_journal-5341	32	4	geometrical	geometrical	ADJ
american_scientific_journal-5341	32	5	parameters	parameter	NOUN
american_scientific_journal-5341	32	6	the	the	DET
american_scientific_journal-5341	32	7	mulliken	mulliken	PROPN
american_scientific_journal-5341	32	8	atomic	atomic	ADJ
american_scientific_journal-5341	32	9	charges	charge	NOUN
american_scientific_journal-5341	32	10	of	of	ADP
american_scientific_journal-5341	32	11	the	the	DET
american_scientific_journal-5341	32	12	studied	study	VERB
american_scientific_journal-5341	32	13	compound	compound	NOUN
american_scientific_journal-5341	32	14	are	be	AUX
american_scientific_journal-5341	32	15	shown	show	VERB
american_scientific_journal-5341	32	16	in	in	ADP
american_scientific_journal-5341	32	17	table	table	NOUN
american_scientific_journal-5341	32	18	1	1	NUM
american_scientific_journal-5341	32	19	.	.	PUNCT
american_scientific_journal-5341	33	1	the	the	DET
american_scientific_journal-5341	33	2	charges	charge	NOUN
american_scientific_journal-5341	33	3	at	at	ADP
american_scientific_journal-5341	33	4	all	all	DET
american_scientific_journal-5341	33	5	the	the	DET
american_scientific_journal-5341	33	6	carbon	carbon	NOUN
american_scientific_journal-5341	33	7	atoms	atom	NOUN
american_scientific_journal-5341	33	8	have	have	VERB
american_scientific_journal-5341	33	9	negative	negative	ADJ
american_scientific_journal-5341	33	10	values	value	NOUN
american_scientific_journal-5341	33	11	except	except	SCONJ
american_scientific_journal-5341	33	12	that	that	SCONJ
american_scientific_journal-5341	33	13	at	at	ADP
american_scientific_journal-5341	33	14	c-3	c-3	PROPN
american_scientific_journal-5341	33	15	(	(	PUNCT
american_scientific_journal-5341	33	16	0.295150	0.295150	NUM
american_scientific_journal-5341	33	17	)	)	PUNCT
american_scientific_journal-5341	33	18	,	,	PUNCT
american_scientific_journal-5341	33	19	c-20	c-20	NOUN
american_scientific_journal-5341	33	20	(	(	PUNCT
american_scientific_journal-5341	33	21	0.213292	0.213292	NUM
american_scientific_journal-5341	33	22	)	)	PUNCT
american_scientific_journal-5341	33	23	,	,	PUNCT
american_scientific_journal-5341	33	24	c-32	c-32	PROPN
american_scientific_journal-5341	33	25	(	(	PUNCT
american_scientific_journal-5341	33	26	0.205287	0.205287	NUM
american_scientific_journal-5341	33	27	)	)	PUNCT
american_scientific_journal-5341	33	28	,	,	PUNCT
american_scientific_journal-5341	33	29	c-2	c-2	NOUN
american_scientific_journal-5341	33	30	(	(	PUNCT
american_scientific_journal-5341	33	31	0.136294	0.136294	NUM
american_scientific_journal-5341	33	32	)	)	PUNCT
american_scientific_journal-5341	33	33	and	and	CCONJ
american_scientific_journal-5341	33	34	c-6	c-6	NOUN
american_scientific_journal-5341	33	35	(	(	PUNCT
american_scientific_journal-5341	33	36	0.086755	0.086755	NUM
american_scientific_journal-5341	33	37	)	)	PUNCT
american_scientific_journal-5341	33	38	,	,	PUNCT
american_scientific_journal-5341	33	39	which	which	PRON
american_scientific_journal-5341	33	40	can	can	AUX
american_scientific_journal-5341	33	41	be	be	AUX
american_scientific_journal-5341	33	42	responsible	responsible	ADJ
american_scientific_journal-5341	33	43	for	for	ADP
american_scientific_journal-5341	33	44	nucleophilic	nucleophilic	ADJ
american_scientific_journal-5341	33	45	attack	attack	NOUN
american_scientific_journal-5341	33	46	centers	center	NOUN
american_scientific_journal-5341	33	47	.	.	PUNCT
american_scientific_journal-5341	34	1	the	the	DET
american_scientific_journal-5341	34	2	large	large	ADJ
american_scientific_journal-5341	34	3	negatively	negatively	ADV
american_scientific_journal-5341	34	4	charged	charge	VERB
american_scientific_journal-5341	34	5	atoms	atom	NOUN
american_scientific_journal-5341	34	6	are	be	AUX
american_scientific_journal-5341	34	7	o-17(-0.415732	o-17(-0.415732	NUM
american_scientific_journal-5341	34	8	)	)	PUNCT
american_scientific_journal-5341	34	9	,	,	PUNCT
american_scientific_journal-5341	34	10	n-19	n-19	PROPN
american_scientific_journal-5341	34	11	(	(	PUNCT
american_scientific_journal-5341	34	12	0.322440	0.322440	NUM
american_scientific_journal-5341	34	13	)	)	PUNCT
american_scientific_journal-5341	34	14	,	,	PUNCT
american_scientific_journal-5341	34	15	n-5(-0.320278	n-5(-0.320278	NOUN
american_scientific_journal-5341	34	16	)	)	PUNCT
american_scientific_journal-5341	34	17	,	,	PUNCT
american_scientific_journal-5341	34	18	o-33(-0.264034	o-33(-0.264034	NUM
american_scientific_journal-5341	34	19	)	)	PUNCT
american_scientific_journal-5341	34	20	,	,	PUNCT
american_scientific_journal-5341	34	21	n-18	n-18	PROPN
american_scientific_journal-5341	34	22	(	(	PUNCT
american_scientific_journal-5341	34	23	-0.155118	-0.155118	NOUN
american_scientific_journal-5341	34	24	)	)	PUNCT
american_scientific_journal-5341	34	25	,	,	PUNCT
american_scientific_journal-5341	34	26	n-4(0.152470	n-4(0.152470	NOUN
american_scientific_journal-5341	34	27	)	)	PUNCT
american_scientific_journal-5341	34	28	.	.	PUNCT
american_scientific_journal-5341	35	1	it	it	PRON
american_scientific_journal-5341	35	2	is	be	AUX
american_scientific_journal-5341	35	3	interesting	interesting	ADJ
american_scientific_journal-5341	35	4	to	to	PART
american_scientific_journal-5341	35	5	note	note	VERB
american_scientific_journal-5341	35	6	the	the	DET
american_scientific_journal-5341	35	7	difference	difference	NOUN
american_scientific_journal-5341	35	8	in	in	ADP
american_scientific_journal-5341	35	9	distances	distance	NOUN
american_scientific_journal-5341	35	10	of	of	ADP
american_scientific_journal-5341	35	11	the	the	DET
american_scientific_journal-5341	35	12	two	two	NUM
american_scientific_journal-5341	35	13	oxygen	oxygen	NOUN
american_scientific_journal-5341	35	14	atoms	atom	NOUN
american_scientific_journal-5341	35	15	of	of	ADP
american_scientific_journal-5341	35	16	the	the	DET
american_scientific_journal-5341	35	17	carbonyl	carbonyl	NOUN
american_scientific_journal-5341	35	18	groups	group	NOUN
american_scientific_journal-5341	35	19	,	,	PUNCT
american_scientific_journal-5341	35	20	the	the	DET
american_scientific_journal-5341	35	21	bond	bond	NOUN
american_scientific_journal-5341	35	22	length	length	NOUN
american_scientific_journal-5341	35	23	of	of	ADP
american_scientific_journal-5341	35	24	the	the	DET
american_scientific_journal-5341	35	25	carbonyl	carbonyl	NOUN
american_scientific_journal-5341	35	26	of	of	ADP
american_scientific_journal-5341	35	27	the	the	DET
american_scientific_journal-5341	35	28	pyrazole	pyrazole	NOUN
american_scientific_journal-5341	35	29	ring	ring	NOUN
american_scientific_journal-5341	35	30	(	(	PUNCT
american_scientific_journal-5341	35	31	c3	c3	NOUN
american_scientific_journal-5341	35	32	-	-	NOUN
american_scientific_journal-5341	35	33	o17	o17	NOUN
american_scientific_journal-5341	35	34	)	)	PUNCT
american_scientific_journal-5341	35	35	appeared	appear	VERB
american_scientific_journal-5341	35	36	to	to	PART
american_scientific_journal-5341	35	37	be	be	AUX
american_scientific_journal-5341	35	38	1.43	1.43	NUM
american_scientific_journal-5341	35	39	aº	aº	NOUN
american_scientific_journal-5341	35	40	which	which	PRON
american_scientific_journal-5341	35	41	is	be	AUX
american_scientific_journal-5341	35	42	longer	long	ADJ
american_scientific_journal-5341	35	43	than	than	ADP
american_scientific_journal-5341	35	44	that	that	PRON
american_scientific_journal-5341	35	45	of	of	ADP
american_scientific_journal-5341	35	46	the	the	DET
american_scientific_journal-5341	35	47	carbonyl	carbonyl	NOUN
american_scientific_journal-5341	35	48	of	of	ADP
american_scientific_journal-5341	35	49	the	the	DET
american_scientific_journal-5341	35	50	aldehyde	aldehyde	NOUN
american_scientific_journal-5341	35	51	group	group	NOUN
american_scientific_journal-5341	35	52	(	(	PUNCT
american_scientific_journal-5341	35	53	c32	c32	NOUN
american_scientific_journal-5341	35	54	-	-	PUNCT
american_scientific_journal-5341	35	55	o33	o33	NOUN
american_scientific_journal-5341	35	56	)	)	PUNCT
american_scientific_journal-5341	35	57	which	which	PRON
american_scientific_journal-5341	35	58	appeared	appear	VERB
american_scientific_journal-5341	35	59	to	to	PART
american_scientific_journal-5341	35	60	be	be	AUX
american_scientific_journal-5341	35	61	1.2273	1.2273	NUM
american_scientific_journal-5341	35	62	aº	aº	NOUN
american_scientific_journal-5341	35	63	,	,	PUNCT
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american_scientific_journal-5341	35	65	is	be	VERB
american_scientific_journal-5341	35	66	one	one	NUM
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american_scientific_journal-5341	35	73	,	,	PUNCT
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american_scientific_journal-5341	35	75	bonding	bonding	NOUN
american_scientific_journal-5341	35	76	interactions	interaction	NOUN
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american_scientific_journal-5341	35	78	the	the	DET
american_scientific_journal-5341	35	79	oxygen	oxygen	NOUN
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american_scientific_journal-5341	35	82	the	the	DET
american_scientific_journal-5341	35	83	pyrazole	pyrazole	NOUN
american_scientific_journal-5341	35	84	ring	ring	NOUN
american_scientific_journal-5341	35	85	and	and	CCONJ
american_scientific_journal-5341	35	86	the	the	DET
american_scientific_journal-5341	35	87	hydrogen	hydrogen	NOUN
american_scientific_journal-5341	35	88	12	12	NUM
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american_scientific_journal-5341	35	90	the	the	DET
american_scientific_journal-5341	35	91	aromatic	aromatic	ADJ
american_scientific_journal-5341	35	92	ring	ring	NOUN
american_scientific_journal-5341	35	93	[	[	X
american_scientific_journal-5341	35	94	3c	3c	NUM
american_scientific_journal-5341	35	95	=	=	NOUN
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american_scientific_journal-5341	35	99	…	…	PUNCT
american_scientific_journal-5341	35	100	..	..	SYM
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american_scientific_journal-5341	35	105	1.4731	1.4731	NUM
american_scientific_journal-5341	35	106	aº	aº	NOUN
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american_scientific_journal-5341	35	108	,	,	PUNCT
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american_scientific_journal-5341	35	110	lengths	length	NOUN
american_scientific_journal-5341	35	111	,	,	PUNCT
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american_scientific_journal-5341	35	117	the	the	DET
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american_scientific_journal-5341	35	119	are	be	AUX
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american_scientific_journal-5341	35	121	a	a	DET
american_scientific_journal-5341	35	122	good	good	ADJ
american_scientific_journal-5341	35	123	agreement	agreement	NOUN
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american_scientific_journal-5341	35	126	reported	report	VERB
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american_scientific_journal-5341	35	128	the	the	DET
american_scientific_journal-5341	35	129	literature	literature	NOUN
american_scientific_journal-5341	35	130	[	[	X
american_scientific_journal-5341	35	131	35	35	NUM
american_scientific_journal-5341	35	132	,	,	PUNCT
american_scientific_journal-5341	35	133	36	36	NUM
american_scientific_journal-5341	35	134	]	]	PUNCT
american_scientific_journal-5341	35	135	.	.	PUNCT
american_scientific_journal-5341	36	1	selected	select	VERB
american_scientific_journal-5341	36	2	bond	bond	NOUN
american_scientific_journal-5341	36	3	distances	distance	NOUN
american_scientific_journal-5341	36	4	and	and	CCONJ
american_scientific_journal-5341	36	5	related	relate	VERB
american_scientific_journal-5341	36	6	angles	angle	NOUN
american_scientific_journal-5341	36	7	are	be	AUX
american_scientific_journal-5341	36	8	collected	collect	VERB
american_scientific_journal-5341	36	9	in	in	ADP
american_scientific_journal-5341	36	10	table	table	NOUN
american_scientific_journal-5341	36	11	1	1	NUM
american_scientific_journal-5341	36	12	.	.	PUNCT
american_scientific_journal-5341	36	13	table	table	NOUN
american_scientific_journal-5341	36	14	1	1	NUM
american_scientific_journal-5341	36	15	:	:	PUNCT
american_scientific_journal-5341	36	16	mulliken	mulliken	NOUN
american_scientific_journal-5341	36	17	charge	charge	NOUN
american_scientific_journal-5341	36	18	,	,	PUNCT
american_scientific_journal-5341	36	19	bond	bond	NOUN
american_scientific_journal-5341	36	20	lengths	length	NOUN
american_scientific_journal-5341	36	21	(	(	PUNCT
american_scientific_journal-5341	36	22	aº	aº	NOUN
american_scientific_journal-5341	36	23	)	)	PUNCT
american_scientific_journal-5341	36	24	and	and	CCONJ
american_scientific_journal-5341	36	25	selected	select	VERB
american_scientific_journal-5341	36	26	bond	bond	NOUN
american_scientific_journal-5341	36	27	angles(º	angles(º	NOUN
american_scientific_journal-5341	36	28	)	)	PUNCT
american_scientific_journal-5341	36	29	of	of	ADP
american_scientific_journal-5341	36	30	the	the	DET
american_scientific_journal-5341	36	31	title	title	NOUN
american_scientific_journal-5341	36	32	compound	compound	NOUN
american_scientific_journal-5341	36	33	calculated	calculate	VERB
american_scientific_journal-5341	36	34	at	at	ADP
american_scientific_journal-5341	36	35	dft	dft	PROPN
american_scientific_journal-5341	36	36	/	/	SYM
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american_scientific_journal-5341	36	39	311	311	NUM
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american_scientific_journal-5341	36	41	(	(	PUNCT
american_scientific_journal-5341	36	42	d	d	PROPN
american_scientific_journal-5341	36	43	,	,	PUNCT
american_scientific_journal-5341	36	44	p	p	NOUN
american_scientific_journal-5341	36	45	)	)	PUNCT
american_scientific_journal-5341	36	46	mulliken	mulliken	NOUN
american_scientific_journal-5341	36	47	charges	charge	VERB
american_scientific_journal-5341	36	48	bond	bond	NOUN
american_scientific_journal-5341	36	49	lengths	length	NOUN
american_scientific_journal-5341	36	50	(	(	PUNCT
american_scientific_journal-5341	36	51	aº	aº	NOUN
american_scientific_journal-5341	36	52	)	)	PUNCT
american_scientific_journal-5341	36	53	bond	bond	NOUN
american_scientific_journal-5341	36	54	angles	angle	NOUN
american_scientific_journal-5341	36	55	(	(	PUNCT
american_scientific_journal-5341	36	56	º	º	NOUN
american_scientific_journal-5341	36	57	)	)	PUNCT
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american_scientific_journal-5341	36	59	-0.026303	-0.026303	NOUN
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american_scientific_journal-5341	36	61	0.136294	0.136294	NUM
american_scientific_journal-5341	36	62	c-3	c-3	VERB
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american_scientific_journal-5341	36	64	n-4	n-4	PROPN
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american_scientific_journal-5341	36	66	n-5	n-5	PROPN
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american_scientific_journal-5341	36	68	c-6	c-6	NOUN
american_scientific_journal-5341	36	69	0.086755	0.086755	NUM
american_scientific_journal-5341	36	70	c-7	c-7	NUM
american_scientific_journal-5341	36	71	-0.031808	-0.031808	PROPN
american_scientific_journal-5341	36	72	c-8	c-8	PROPN
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american_scientific_journal-5341	36	74	c-9	c-9	PROPN
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american_scientific_journal-5341	37	4	h	h	NOUN
american_scientific_journal-5341	37	5	-14	-14	PUNCT
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american_scientific_journal-5341	37	7	h	h	NOUN
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american_scientific_journal-5341	37	10	h	h	NOUN
american_scientific_journal-5341	37	11	-16	-16	NUM
american_scientific_journal-5341	37	12	0.095330	0.095330	NUM
american_scientific_journal-5341	37	13	o	o	NOUN
american_scientific_journal-5341	37	14	-17	-17	PUNCT
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american_scientific_journal-5341	41	1	c	c	PROPN
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american_scientific_journal-5341	44	1	h	h	PROPN
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american_scientific_journal-5341	46	2	0.104745	0.104745	NUM
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american_scientific_journal-5341	46	4	0.103329	0.103329	NUM
american_scientific_journal-5341	46	5	h-31	h-31	NOUN
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american_scientific_journal-5341	46	23	)	)	PUNCT
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american_scientific_journal-5341	46	25	(	(	PUNCT
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american_scientific_journal-5341	46	27	,	,	PUNCT
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american_scientific_journal-5341	47	2	(	(	PUNCT
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american_scientific_journal-5341	47	4	,	,	PUNCT
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american_scientific_journal-5341	47	6	)	)	PUNCT
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american_scientific_journal-5341	47	8	(	(	PUNCT
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american_scientific_journal-5341	47	12	)	)	PUNCT
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american_scientific_journal-5341	47	18	)	)	PUNCT
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american_scientific_journal-5341	47	20	(	(	PUNCT
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american_scientific_journal-5341	47	22	,	,	PUNCT
american_scientific_journal-5341	47	23	n-5	n-5	PROPN
american_scientific_journal-5341	47	24	)	)	PUNCT
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american_scientific_journal-5341	47	28	,	,	PUNCT
american_scientific_journal-5341	47	29	n-6	n-6	NUM
american_scientific_journal-5341	47	30	)	)	PUNCT
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american_scientific_journal-5341	47	36	)	)	PUNCT
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american_scientific_journal-5341	47	42	)	)	PUNCT
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american_scientific_journal-5341	47	100	,	,	PUNCT
american_scientific_journal-5341	47	101	h-16	h-16	PROPN
american_scientific_journal-5341	47	102	)	)	PUNCT
american_scientific_journal-5341	47	103	1.0997	1.0997	NUM
american_scientific_journal-5341	47	104	(	(	PUNCT
american_scientific_journal-5341	47	105	n-18	n-18	PROPN
american_scientific_journal-5341	47	106	,	,	PUNCT
american_scientific_journal-5341	47	107	n-19	n-19	NOUN
american_scientific_journal-5341	47	108	)	)	PUNCT
american_scientific_journal-5341	47	109	1.232	1.232	NUM
american_scientific_journal-5341	47	110	(	(	PUNCT
american_scientific_journal-5341	47	111	n-19	n-19	ADJ
american_scientific_journal-5341	47	112	,	,	PUNCT
american_scientific_journal-5341	47	113	c-20	c-20	PROPN
american_scientific_journal-5341	47	114	)	)	PUNCT
american_scientific_journal-5341	47	115	1.47	1.47	NUM
american_scientific_journal-5341	47	116	(	(	PUNCT
american_scientific_journal-5341	47	117	n-19	n-19	ADJ
american_scientific_journal-5341	47	118	,	,	PUNCT
american_scientific_journal-5341	47	119	h-31	h-31	NOUN
american_scientific_journal-5341	47	120	)	)	PUNCT
american_scientific_journal-5341	47	121	1.2566	1.2566	NUM
american_scientific_journal-5341	47	122	(	(	PUNCT
american_scientific_journal-5341	47	123	c-20	c-20	PROPN
american_scientific_journal-5341	47	124	,	,	PUNCT
american_scientific_journal-5341	47	125	c-21	c-21	PROPN
american_scientific_journal-5341	47	126	)	)	PUNCT
american_scientific_journal-5341	47	127	1.3952	1.3952	NUM
american_scientific_journal-5341	47	128	(	(	PUNCT
american_scientific_journal-5341	47	129	c-20	c-20	NOUN
american_scientific_journal-5341	47	130	,	,	PUNCT
american_scientific_journal-5341	47	131	c-22	c-22	NOUN
american_scientific_journal-5341	47	132	)	)	PUNCT
american_scientific_journal-5341	47	133	1.3948	1.3948	NUM
american_scientific_journal-5341	47	134	(	(	PUNCT
american_scientific_journal-5341	47	135	c-21	c-21	ADV
american_scientific_journal-5341	47	136	,	,	PUNCT
american_scientific_journal-5341	47	137	c-23	c-23	NOUN
american_scientific_journal-5341	47	138	)	)	PUNCT
american_scientific_journal-5341	47	139	1.3947	1.3947	NUM
american_scientific_journal-5341	47	140	(	(	PUNCT
american_scientific_journal-5341	47	141	c-21	c-21	PROPN
american_scientific_journal-5341	47	142	,	,	PUNCT
american_scientific_journal-5341	47	143	h-24	h-24	PROPN
american_scientific_journal-5341	47	144	)	)	PUNCT
american_scientific_journal-5341	47	145	1.0997	1.0997	NUM
american_scientific_journal-5341	47	146	(	(	PUNCT
american_scientific_journal-5341	47	147	c-22	c-22	NOUN
american_scientific_journal-5341	47	148	,	,	PUNCT
american_scientific_journal-5341	47	149	c-25	c-25	PROPN
american_scientific_journal-5341	47	150	)	)	PUNCT
american_scientific_journal-5341	47	151	1.3951	1.3951	NUM
american_scientific_journal-5341	47	152	(	(	PUNCT
american_scientific_journal-5341	47	153	(	(	PUNCT
american_scientific_journal-5341	47	154	c-22	c-22	PROPN
american_scientific_journal-5341	47	155	,	,	PUNCT
american_scientific_journal-5341	47	156	h-26	h-26	NOUN
american_scientific_journal-5341	47	157	)	)	PUNCT
american_scientific_journal-5341	47	158	1.0996	1.0996	NUM
american_scientific_journal-5341	47	159	(	(	PUNCT
american_scientific_journal-5341	47	160	c-23	c-23	NOUN
american_scientific_journal-5341	47	161	,	,	PUNCT
american_scientific_journal-5341	47	162	c-27	c-27	NUM
american_scientific_journal-5341	47	163	)	)	PUNCT
american_scientific_journal-5341	47	164	1.3954	1.3954	NUM
american_scientific_journal-5341	47	165	(	(	PUNCT
american_scientific_journal-5341	47	166	c-23	c-23	NOUN
american_scientific_journal-5341	47	167	,	,	PUNCT
american_scientific_journal-5341	47	168	h-28	h-28	PROPN
american_scientific_journal-5341	47	169	)	)	PUNCT
american_scientific_journal-5341	47	170	1.0997	1.0997	NUM
american_scientific_journal-5341	47	171	(	(	PUNCT
american_scientific_journal-5341	47	172	c-25	c-25	PROPN
american_scientific_journal-5341	47	173	,	,	PUNCT
american_scientific_journal-5341	47	174	c-27	c-27	NUM
american_scientific_journal-5341	47	175	)	)	PUNCT
american_scientific_journal-5341	47	176	1.3948	1.3948	NUM
american_scientific_journal-5341	47	177	(	(	PUNCT
american_scientific_journal-5341	47	178	c-25	c-25	PROPN
american_scientific_journal-5341	47	179	,	,	PUNCT
american_scientific_journal-5341	47	180	h-29	h-29	PUNCT
american_scientific_journal-5341	47	181	)	)	PUNCT
american_scientific_journal-5341	47	182	1.0998	1.0998	NUM
american_scientific_journal-5341	47	183	(	(	PUNCT
american_scientific_journal-5341	47	184	c-27	c-27	NOUN
american_scientific_journal-5341	47	185	,	,	PUNCT
american_scientific_journal-5341	47	186	h-30	h-30	NOUN
american_scientific_journal-5341	47	187	)	)	PUNCT
american_scientific_journal-5341	47	188	1.0997	1.0997	NUM
american_scientific_journal-5341	47	189	(	(	PUNCT
american_scientific_journal-5341	47	190	c-32	c-32	PROPN
american_scientific_journal-5341	47	191	,	,	PUNCT
american_scientific_journal-5341	47	192	o-33	o-33	PROPN
american_scientific_journal-5341	47	193	)	)	PUNCT
american_scientific_journal-5341	47	194	1.2273	1.2273	NUM
american_scientific_journal-5341	47	195	(	(	PUNCT
american_scientific_journal-5341	47	196	c-32	c-32	PROPN
american_scientific_journal-5341	47	197	,	,	PUNCT
american_scientific_journal-5341	47	198	h-34	h-34	PROPN
american_scientific_journal-5341	47	199	)	)	PUNCT
american_scientific_journal-5341	47	200	1.1105	1.1105	NUM
american_scientific_journal-5341	47	201	(	(	PUNCT
american_scientific_journal-5341	47	202	c-2,c-1,n-4	c-2,c-1,n-4	PROPN
american_scientific_journal-5341	47	203	)	)	PUNCT
american_scientific_journal-5341	47	204	107.954	107.954	NUM
american_scientific_journal-5341	47	205	(	(	PUNCT
american_scientific_journal-5341	47	206	c-2,c-1,c-32	c-2,c-1,c-32	PROPN
american_scientific_journal-5341	47	207	)	)	PUNCT
american_scientific_journal-5341	47	208	110.507	110.507	NUM
american_scientific_journal-5341	47	209	(	(	PUNCT
american_scientific_journal-5341	47	210	n-4,c-1,c3	n-4,c-1,c3	NUM
american_scientific_journal-5341	47	211	-	-	SYM
american_scientific_journal-5341	47	212	2	2	NUM
american_scientific_journal-5341	47	213	)	)	PUNCT
american_scientific_journal-5341	47	214	110.534	110.534	NUM
american_scientific_journal-5341	47	215	(	(	PUNCT
american_scientific_journal-5341	47	216	c-1,c-2,c-3	c-1,c-2,c-3	NOUN
american_scientific_journal-5341	47	217	)	)	PUNCT
american_scientific_journal-5341	47	218	107.940	107.940	NUM
american_scientific_journal-5341	47	219	(	(	PUNCT
american_scientific_journal-5341	47	220	c-1,c-2,n-18	c-1,c-2,n-18	NOUN
american_scientific_journal-5341	47	221	)	)	PUNCT
american_scientific_journal-5341	47	222	110.317	110.317	NUM
american_scientific_journal-5341	47	223	(	(	PUNCT
american_scientific_journal-5341	47	224	c-3,c-2,n-18	c-3,c-2,n-18	PROPN
american_scientific_journal-5341	47	225	)	)	PUNCT
american_scientific_journal-5341	47	226	110.332	110.332	NUM
american_scientific_journal-5341	47	227	(	(	PUNCT
american_scientific_journal-5341	47	228	c-2,c-3,n-5	c-2,c-3,n-5	NUM
american_scientific_journal-5341	47	229	)	)	PUNCT
american_scientific_journal-5341	47	230	107.914	107.914	NUM
american_scientific_journal-5341	47	231	(	(	PUNCT
american_scientific_journal-5341	47	232	c-2,c-3,o-17	c-2,c-3,o-17	NOUN
american_scientific_journal-5341	47	233	)	)	PUNCT
american_scientific_journal-5341	47	234	110.333	110.333	NUM
american_scientific_journal-5341	47	235	(	(	PUNCT
american_scientific_journal-5341	47	236	n-5,c-3,n-17	n-5,c-3,n-17	NOUN
american_scientific_journal-5341	47	237	)	)	PUNCT
american_scientific_journal-5341	47	238	110.327	110.327	NUM
american_scientific_journal-5341	47	239	(	(	PUNCT
american_scientific_journal-5341	47	240	c-1,n-4,n-5	c-1,n-4,n-5	X
american_scientific_journal-5341	47	241	)	)	PUNCT
american_scientific_journal-5341	47	242	107.974	107.974	NUM
american_scientific_journal-5341	47	243	(	(	PUNCT
american_scientific_journal-5341	47	244	c-3,n-5,n-4	c-3,n-5,n-4	NOUN
american_scientific_journal-5341	47	245	)	)	PUNCT
american_scientific_journal-5341	47	246	107.959	107.959	NUM
american_scientific_journal-5341	47	247	(	(	PUNCT
american_scientific_journal-5341	47	248	c-3,n-5,c-6	c-3,n-5,c-6	X
american_scientific_journal-5341	47	249	)	)	PUNCT
american_scientific_journal-5341	47	250	110.507	110.507	NUM
american_scientific_journal-5341	47	251	(	(	PUNCT
american_scientific_journal-5341	47	252	n-4,n-5,c-6	n-4,n-5,c-6	X
american_scientific_journal-5341	47	253	)	)	PUNCT
american_scientific_journal-5341	47	254	110.547	110.547	NUM
american_scientific_journal-5341	47	255	(	(	PUNCT
american_scientific_journal-5341	47	256	n-5,c-6,c-7	n-5,c-6,c-7	X
american_scientific_journal-5341	47	257	)	)	PUNCT
american_scientific_journal-5341	47	258	119.997	119.997	NUM
american_scientific_journal-5341	47	259	(	(	PUNCT
american_scientific_journal-5341	47	260	n-5,c-6,c-8	n-5,c-6,c-8	NUM
american_scientific_journal-5341	47	261	)	)	PUNCT
american_scientific_journal-5341	47	262	120.004	120.004	NUM
american_scientific_journal-5341	47	263	(	(	PUNCT
american_scientific_journal-5341	47	264	c-7,c-6,c-8	c-7,c-6,c-8	PROPN
american_scientific_journal-5341	47	265	)	)	PUNCT
american_scientific_journal-5341	47	266	119.999	119.999	NUM
american_scientific_journal-5341	47	267	(	(	PUNCT
american_scientific_journal-5341	47	268	c-6,c-7,c-9	c-6,c-7,c-9	VERB
american_scientific_journal-5341	47	269	)	)	PUNCT
american_scientific_journal-5341	47	270	120.009	120.009	NUM
american_scientific_journal-5341	47	271	(	(	PUNCT
american_scientific_journal-5341	47	272	c-6,c-7,h-10	c-6,c-7,h-10	PROPN
american_scientific_journal-5341	47	273	)	)	PUNCT
american_scientific_journal-5341	47	274	119.981	119.981	NUM
american_scientific_journal-5341	47	275	(	(	PUNCT
american_scientific_journal-5341	47	276	c-9,c-7,h-10	c-9,c-7,h-10	NOUN
american_scientific_journal-5341	47	277	)	)	PUNCT
american_scientific_journal-5341	47	278	120.011	120.011	NUM
american_scientific_journal-5341	47	279	(	(	PUNCT
american_scientific_journal-5341	47	280	c-6,c-8,c-11	c-6,c-8,c-11	PROPN
american_scientific_journal-5341	47	281	)	)	PUNCT
american_scientific_journal-5341	47	282	120.0	120.0	NUM
american_scientific_journal-5341	47	283	(	(	PUNCT
american_scientific_journal-5341	47	284	c-6,c-8,h-12	c-6,c-8,h-12	NOUN
american_scientific_journal-5341	47	285	)	)	PUNCT
american_scientific_journal-5341	47	286	120.008	120.008	NUM
american_scientific_journal-5341	47	287	(	(	PUNCT
american_scientific_journal-5341	47	288	c-11,c-8	c-11,c-8	PROPN
american_scientific_journal-5341	47	289	,	,	PUNCT
american_scientific_journal-5341	47	290	h-12	h-12	NOUN
american_scientific_journal-5341	47	291	)	)	PUNCT
american_scientific_journal-5341	47	292	119.992	119.992	NUM
american_scientific_journal-5341	47	293	(	(	PUNCT
american_scientific_journal-5341	47	294	c-7	c-7	PROPN
american_scientific_journal-5341	47	295	,	,	PUNCT
american_scientific_journal-5341	47	296	c-9	c-9	NOUN
american_scientific_journal-5341	47	297	,	,	PUNCT
american_scientific_journal-5341	47	298	c-13	c-13	NOUN
american_scientific_journal-5341	47	299	)	)	PUNCT
american_scientific_journal-5341	47	300	119.994	119.994	NUM
american_scientific_journal-5341	47	301	(	(	PUNCT
american_scientific_journal-5341	47	302	c-7	c-7	PROPN
american_scientific_journal-5341	47	303	,	,	PUNCT
american_scientific_journal-5341	47	304	c-9	c-9	NOUN
american_scientific_journal-5341	47	305	,	,	PUNCT
american_scientific_journal-5341	47	306	h-14	h-14	PROPN
american_scientific_journal-5341	47	307	)	)	PUNCT
american_scientific_journal-5341	47	308	120.013	120.013	NUM
american_scientific_journal-5341	47	309	(	(	PUNCT
american_scientific_journal-5341	47	310	c-13	c-13	PROPN
american_scientific_journal-5341	47	311	,	,	PUNCT
american_scientific_journal-5341	47	312	c-9	c-9	NOUN
american_scientific_journal-5341	47	313	,	,	PUNCT
american_scientific_journal-5341	47	314	h-14	h-14	PROPN
american_scientific_journal-5341	47	315	)	)	PUNCT
american_scientific_journal-5341	47	316	119.993	119.993	NUM
american_scientific_journal-5341	47	317	(	(	PUNCT
american_scientific_journal-5341	47	318	c-8	c-8	PROPN
american_scientific_journal-5341	47	319	,	,	PUNCT
american_scientific_journal-5341	47	320	c-11,c-13	c-11,c-13	PROPN
american_scientific_journal-5341	47	321	)	)	PUNCT
american_scientific_journal-5341	47	322	120.005	120.005	NUM
american_scientific_journal-5341	47	323	(	(	PUNCT
american_scientific_journal-5341	47	324	c-8,c-11,h-15	c-8,c-11,h-15	PROPN
american_scientific_journal-5341	47	325	)	)	PUNCT
american_scientific_journal-5341	47	326	119.984	119.984	NUM
american_scientific_journal-5341	47	327	(	(	PUNCT
american_scientific_journal-5341	47	328	c13,c11,h15	c13,c11,h15	NOUN
american_scientific_journal-5341	47	329	)	)	PUNCT
american_scientific_journal-5341	47	330	120.011	120.011	NUM
american_scientific_journal-5341	47	331	(	(	PUNCT
american_scientific_journal-5341	47	332	c-9,c-13,c-11	c-9,c-13,c-11	VERB
american_scientific_journal-5341	47	333	)	)	PUNCT
american_scientific_journal-5341	47	334	119.994	119.994	NUM
american_scientific_journal-5341	47	335	(	(	PUNCT
american_scientific_journal-5341	47	336	c-9,c-13,h-16	c-9,c-13,h-16	NOUN
american_scientific_journal-5341	47	337	)	)	PUNCT
american_scientific_journal-5341	47	338	119.981	119.981	NUM
american_scientific_journal-5341	47	339	(	(	PUNCT
american_scientific_journal-5341	47	340	c-11,c-13,h-16	c-11,c-13,h-16	NOUN
american_scientific_journal-5341	47	341	)	)	PUNCT
american_scientific_journal-5341	47	342	120.025	120.025	NUM
american_scientific_journal-5341	47	343	(	(	PUNCT
american_scientific_journal-5341	47	344	n-18,n-19,h-31	n-18,n-19,h-31	PROPN
american_scientific_journal-5341	47	345	)	)	PUNCT
american_scientific_journal-5341	47	346	96.975	96.975	NUM
american_scientific_journal-5341	47	347	(	(	PUNCT
american_scientific_journal-5341	47	348	c-20,n-19,h-31	c-20,n-19,h-31	NUM
american_scientific_journal-5341	47	349	)	)	PUNCT
american_scientific_journal-5341	47	350	83.025	83.025	NUM
american_scientific_journal-5341	47	351	(	(	PUNCT
american_scientific_journal-5341	47	352	n-19,c-20,c-21	n-19,c-20,c-21	NUM
american_scientific_journal-5341	47	353	)	)	PUNCT
american_scientific_journal-5341	47	354	119.997	119.997	NUM
american_scientific_journal-5341	47	355	(	(	PUNCT
american_scientific_journal-5341	47	356	n-19,c-20,c-22	n-19,c-20,c-22	NUM
american_scientific_journal-5341	47	357	)	)	PUNCT
american_scientific_journal-5341	47	358	120.004	120.004	NUM
american_scientific_journal-5341	47	359	(	(	PUNCT
american_scientific_journal-5341	47	360	c-21,c-20,c-22	c-21,c-20,c-22	PROPN
american_scientific_journal-5341	47	361	)	)	PUNCT
american_scientific_journal-5341	47	362	119.999	119.999	NUM
american_scientific_journal-5341	47	363	(	(	PUNCT
american_scientific_journal-5341	47	364	c-20,c-21,c-23	c-20,c-21,c-23	NOUN
american_scientific_journal-5341	47	365	)	)	PUNCT
american_scientific_journal-5341	47	366	120.009	120.009	NUM
american_scientific_journal-5341	47	367	american	american	ADJ
american_scientific_journal-5341	47	368	scientific	scientific	ADJ
american_scientific_journal-5341	47	369	research	research	NOUN
american_scientific_journal-5341	47	370	journal	journal	NOUN
american_scientific_journal-5341	47	371	for	for	ADP
american_scientific_journal-5341	47	372	engineering	engineering	NOUN
american_scientific_journal-5341	47	373	,	,	PUNCT
american_scientific_journal-5341	47	374	technology	technology	NOUN
american_scientific_journal-5341	47	375	,	,	PUNCT
american_scientific_journal-5341	47	376	and	and	CCONJ
american_scientific_journal-5341	47	377	sciences	science	NOUN
american_scientific_journal-5341	47	378	(	(	PUNCT
american_scientific_journal-5341	47	379	asrjets	asrjet	NOUN
american_scientific_journal-5341	47	380	)	)	PUNCT
american_scientific_journal-5341	47	381	(	(	PUNCT
american_scientific_journal-5341	47	382	2019	2019	NUM
american_scientific_journal-5341	47	383	)	)	PUNCT
american_scientific_journal-5341	47	384	volume	volume	NOUN
american_scientific_journal-5341	47	385	61	61	NUM
american_scientific_journal-5341	47	386	,	,	PUNCT
american_scientific_journal-5341	47	387	no	no	DET
american_scientific_journal-5341	47	388	1	1	NUM
american_scientific_journal-5341	47	389	,	,	PUNCT
american_scientific_journal-5341	47	390	pp	pp	ADV
american_scientific_journal-5341	47	391	75	75	NUM
american_scientific_journal-5341	47	392	-	-	SYM
american_scientific_journal-5341	47	393	91	91	NUM
american_scientific_journal-5341	47	394	79	79	NUM
american_scientific_journal-5341	47	395	3.3	3.3	NUM
american_scientific_journal-5341	47	396	.	.	PUNCT
american_scientific_journal-5341	48	1	eactivity	eactivity	NOUN
american_scientific_journal-5341	48	2	descriptors	descriptor	NOUN
american_scientific_journal-5341	48	3	of	of	ADP
american_scientific_journal-5341	48	4	the	the	DET
american_scientific_journal-5341	48	5	title	title	NOUN
american_scientific_journal-5341	48	6	compound	compound	NOUN
american_scientific_journal-5341	48	7	.	.	PUNCT
american_scientific_journal-5341	49	1	the	the	DET
american_scientific_journal-5341	49	2	quantum	quantum	ADJ
american_scientific_journal-5341	49	3	chemical	chemical	NOUN
american_scientific_journal-5341	49	4	descriptors	descriptor	NOUN
american_scientific_journal-5341	49	5	of	of	ADP
american_scientific_journal-5341	49	6	the	the	DET
american_scientific_journal-5341	49	7	title	title	NOUN
american_scientific_journal-5341	49	8	compound	compound	NOUN
american_scientific_journal-5341	49	9	were	be	AUX
american_scientific_journal-5341	49	10	calculated	calculate	VERB
american_scientific_journal-5341	49	11	using	use	VERB
american_scientific_journal-5341	49	12	dft	dft	PROPN
american_scientific_journal-5341	49	13	/	/	SYM
american_scientific_journal-5341	49	14	b3lyp	b3lyp	PROPN
american_scientific_journal-5341	49	15	/6311	/6311	PUNCT
american_scientific_journal-5341	50	1	g	g	NOUN
american_scientific_journal-5341	50	2	(	(	PUNCT
american_scientific_journal-5341	50	3	d	d	PROPN
american_scientific_journal-5341	50	4	,	,	PUNCT
american_scientific_journal-5341	50	5	p	p	NOUN
american_scientific_journal-5341	50	6	)	)	PUNCT
american_scientific_journal-5341	50	7	in	in	ADP
american_scientific_journal-5341	50	8	gas	gas	NOUN
american_scientific_journal-5341	50	9	phase	phase	NOUN
american_scientific_journal-5341	50	10	,	,	PUNCT
american_scientific_journal-5341	50	11	all	all	DET
american_scientific_journal-5341	50	12	the	the	DET
american_scientific_journal-5341	50	13	calculated	calculated	ADJ
american_scientific_journal-5341	50	14	descriptors	descriptor	NOUN
american_scientific_journal-5341	50	15	[	[	X
american_scientific_journal-5341	50	16	37	37	NUM
american_scientific_journal-5341	50	17	-	-	SYM
american_scientific_journal-5341	50	18	40	40	NUM
american_scientific_journal-5341	50	19	]	]	PUNCT
american_scientific_journal-5341	50	20	depends	depend	VERB
american_scientific_journal-5341	50	21	mainly	mainly	ADV
american_scientific_journal-5341	50	22	on	on	ADP
american_scientific_journal-5341	50	23	the	the	DET
american_scientific_journal-5341	50	24	energy	energy	NOUN
american_scientific_journal-5341	50	25	of	of	ADP
american_scientific_journal-5341	50	26	the	the	DET
american_scientific_journal-5341	50	27	frontier	frontier	NOUN
american_scientific_journal-5341	50	28	molecular	molecular	ADJ
american_scientific_journal-5341	50	29	orbitals	orbital	NOUN
american_scientific_journal-5341	50	30	ehomo	ehomo	ADJ
american_scientific_journal-5341	50	31	(	(	PUNCT
american_scientific_journal-5341	50	32	high	high	ADV
american_scientific_journal-5341	50	33	occupied	occupy	VERB
american_scientific_journal-5341	50	34	molecular	molecular	ADJ
american_scientific_journal-5341	50	35	orbital	orbital	NOUN
american_scientific_journal-5341	50	36	)	)	PUNCT
american_scientific_journal-5341	50	37	and	and	CCONJ
american_scientific_journal-5341	50	38	elumo	elumo	ADJ
american_scientific_journal-5341	50	39	(	(	PUNCT
american_scientific_journal-5341	50	40	low	low	ADV
american_scientific_journal-5341	50	41	unoccupied	unoccupied	ADJ
american_scientific_journal-5341	50	42	molecular	molecular	ADJ
american_scientific_journal-5341	50	43	orbital	orbital	NOUN
american_scientific_journal-5341	50	44	)	)	PUNCT
american_scientific_journal-5341	50	45	,	,	PUNCT
american_scientific_journal-5341	50	46	the	the	DET
american_scientific_journal-5341	50	47	ground	ground	NOUN
american_scientific_journal-5341	50	48	state	state	NOUN
american_scientific_journal-5341	50	49	plot	plot	NOUN
american_scientific_journal-5341	50	50	for	for	ADP
american_scientific_journal-5341	50	51	the	the	DET
american_scientific_journal-5341	50	52	frontier	frontier	NOUN
american_scientific_journal-5341	50	53	molecular	molecular	ADJ
american_scientific_journal-5341	50	54	orbitals	orbital	NOUN
american_scientific_journal-5341	50	55	of	of	ADP
american_scientific_journal-5341	50	56	the	the	DET
american_scientific_journal-5341	50	57	title	title	NOUN
american_scientific_journal-5341	50	58	compound	compound	NOUN
american_scientific_journal-5341	50	59	is	be	AUX
american_scientific_journal-5341	50	60	shown	show	VERB
american_scientific_journal-5341	50	61	in	in	ADP
american_scientific_journal-5341	50	62	figure	figure	NOUN
american_scientific_journal-5341	50	63	3	3	NUM
american_scientific_journal-5341	50	64	.	.	PUNCT
american_scientific_journal-5341	50	65	figure	figure	NOUN
american_scientific_journal-5341	50	66	3	3	NUM
american_scientific_journal-5341	50	67	:	:	PUNCT
american_scientific_journal-5341	50	68	the	the	DET
american_scientific_journal-5341	50	69	ground	ground	NOUN
american_scientific_journal-5341	50	70	state	state	NOUN
american_scientific_journal-5341	50	71	plots	plot	NOUN
american_scientific_journal-5341	50	72	for	for	ADP
american_scientific_journal-5341	50	73	the	the	DET
american_scientific_journal-5341	50	74	frontier	frontier	NOUN
american_scientific_journal-5341	50	75	molecular	molecular	ADJ
american_scientific_journal-5341	50	76	orbitals	orbital	NOUN
american_scientific_journal-5341	50	77	of	of	ADP
american_scientific_journal-5341	50	78	the	the	DET
american_scientific_journal-5341	50	79	title	title	NOUN
american_scientific_journal-5341	50	80	compound	compound	NOUN
american_scientific_journal-5341	50	81	.	.	PUNCT
american_scientific_journal-5341	51	1	in	in	ADP
american_scientific_journal-5341	51	2	general	general	ADJ
american_scientific_journal-5341	51	3	chemical	chemical	NOUN
american_scientific_journal-5341	51	4	potential	potential	NOUN
american_scientific_journal-5341	51	5	is	be	AUX
american_scientific_journal-5341	51	6	the	the	DET
american_scientific_journal-5341	51	7	link	link	NOUN
american_scientific_journal-5341	51	8	between	between	ADP
american_scientific_journal-5341	51	9	structure	structure	NOUN
american_scientific_journal-5341	51	10	and	and	CCONJ
american_scientific_journal-5341	51	11	reactivity	reactivity	NOUN
american_scientific_journal-5341	51	12	as	as	ADP
american_scientific_journal-5341	51	13	the	the	DET
american_scientific_journal-5341	51	14	greater	great	ADJ
american_scientific_journal-5341	51	15	chemical	chemical	NOUN
american_scientific_journal-5341	51	16	potential	potential	NOUN
american_scientific_journal-5341	51	17	of	of	ADP
american_scientific_journal-5341	51	18	studied	study	VERB
american_scientific_journal-5341	51	19	compounds	compound	NOUN
american_scientific_journal-5341	51	20	the	the	DET
american_scientific_journal-5341	51	21	greater	great	ADJ
american_scientific_journal-5341	51	22	its	its	PRON
american_scientific_journal-5341	51	23	reactivity	reactivity	NOUN
american_scientific_journal-5341	51	24	,	,	PUNCT
american_scientific_journal-5341	51	25	the	the	DET
american_scientific_journal-5341	51	26	defined	define	VERB
american_scientific_journal-5341	51	27	index	index	NOUN
american_scientific_journal-5341	51	28	of	of	ADP
american_scientific_journal-5341	51	29	chemical	chemical	ADJ
american_scientific_journal-5341	51	30	potential	potential	NOUN
american_scientific_journal-5341	51	31	(	(	PUNCT
american_scientific_journal-5341	51	32	μ	μ	NOUN
american_scientific_journal-5341	51	33	)	)	PUNCT
american_scientific_journal-5341	51	34	is	be	AUX
american_scientific_journal-5341	51	35	depends	depend	VERB
american_scientific_journal-5341	51	36	on	on	ADP
american_scientific_journal-5341	51	37	the	the	DET
american_scientific_journal-5341	51	38	value	value	NOUN
american_scientific_journal-5341	51	39	of	of	ADP
american_scientific_journal-5341	51	40	the	the	DET
american_scientific_journal-5341	51	41	electronegativity	electronegativity	NOUN
american_scientific_journal-5341	51	42	index	index	NOUN
american_scientific_journal-5341	51	43	(	(	PUNCT
american_scientific_journal-5341	51	44	χ	χ	NOUN
american_scientific_journal-5341	51	45	)	)	PUNCT
american_scientific_journal-5341	51	46	which	which	PRON
american_scientific_journal-5341	51	47	is	be	AUX
american_scientific_journal-5341	51	48	the	the	DET
american_scientific_journal-5341	51	49	mean	mean	ADJ
american_scientific_journal-5341	51	50	value	value	NOUN
american_scientific_journal-5341	51	51	of	of	ADP
american_scientific_journal-5341	51	52	ehomo	ehomo	NOUN
american_scientific_journal-5341	51	53	and	and	CCONJ
american_scientific_journal-5341	51	54	elumo	elumo	ADJ
american_scientific_journal-5341	51	55	,	,	PUNCT
american_scientific_journal-5341	51	56	defined	define	VERB
american_scientific_journal-5341	51	57	in	in	ADP
american_scientific_journal-5341	51	58	terms	term	NOUN
american_scientific_journal-5341	51	59	of	of	ADP
american_scientific_journal-5341	51	60	ionization	ionization	NOUN
american_scientific_journal-5341	51	61	energy	energy	NOUN
american_scientific_journal-5341	51	62	(	(	PUNCT
american_scientific_journal-5341	51	63	ip	ip	NOUN
american_scientific_journal-5341	51	64	)	)	PUNCT
american_scientific_journal-5341	51	65	and	and	CCONJ
american_scientific_journal-5341	51	66	electron	electron	NOUN
american_scientific_journal-5341	51	67	affinity	affinity	NOUN
american_scientific_journal-5341	51	68	(	(	PUNCT
american_scientific_journal-5341	51	69	ea	ea	NOUN
american_scientific_journal-5341	51	70	)	)	PUNCT
american_scientific_journal-5341	51	71	as	as	SCONJ
american_scientific_journal-5341	51	72	follows	follow	VERB
american_scientific_journal-5341	51	73	:	:	PUNCT
american_scientific_journal-5341	51	74	χ	χ	X
american_scientific_journal-5341	51	75	=	=	PUNCT
american_scientific_journal-5341	51	76	(	(	PUNCT
american_scientific_journal-5341	51	77	ip	ip	NOUN
american_scientific_journal-5341	51	78	+	+	ADJ
american_scientific_journal-5341	51	79	ea)/2	ea)/2	ADJ
american_scientific_journal-5341	51	80	and	and	CCONJ
american_scientific_journal-5341	51	81	consequently	consequently	ADV
american_scientific_journal-5341	51	82	the	the	DET
american_scientific_journal-5341	51	83	chemical	chemical	ADJ
american_scientific_journal-5341	51	84	potential	potential	NOUN
american_scientific_journal-5341	51	85	(	(	PUNCT
american_scientific_journal-5341	51	86	μ	μ	NOUN
american_scientific_journal-5341	51	87	)	)	PUNCT
american_scientific_journal-5341	51	88	=	=	SYM
american_scientific_journal-5341	51	89	χ	χ	NOUN
american_scientific_journal-5341	51	90	,	,	PUNCT
american_scientific_journal-5341	51	91	the	the	DET
american_scientific_journal-5341	51	92	hardness	hardness	NOUN
american_scientific_journal-5341	51	93	is	be	AUX
american_scientific_journal-5341	51	94	given	give	VERB
american_scientific_journal-5341	51	95	by	by	ADP
american_scientific_journal-5341	51	96	:	:	PUNCT
american_scientific_journal-5341	51	97	η	η	PROPN
american_scientific_journal-5341	51	98	=	=	SYM
american_scientific_journal-5341	51	99	0.5	0.5	NUM
american_scientific_journal-5341	51	100	(	(	PUNCT
american_scientific_journal-5341	51	101	elumo	elumo	ADJ
american_scientific_journal-5341	51	102	ehomo	ehomo	NOUN
american_scientific_journal-5341	51	103	)	)	PUNCT
american_scientific_journal-5341	51	104	,	,	PUNCT
american_scientific_journal-5341	51	105	softness	softness	NOUN
american_scientific_journal-5341	51	106	(	(	PUNCT
american_scientific_journal-5341	51	107	σ	σ	NOUN
american_scientific_journal-5341	51	108	)	)	PUNCT
american_scientific_journal-5341	51	109	=	=	PROPN
american_scientific_journal-5341	51	110	1/	1/	NUM
american_scientific_journal-5341	51	111	η	η	PROPN
american_scientific_journal-5341	51	112	.	.	PUNCT
american_scientific_journal-5341	52	1	as	as	SCONJ
american_scientific_journal-5341	52	2	electrophilicity	electrophilicity	NOUN
american_scientific_journal-5341	52	3	/	/	SYM
american_scientific_journal-5341	52	4	nucleophilicity	nucleophilicity	NOUN
american_scientific_journal-5341	52	5	are	be	AUX
american_scientific_journal-5341	52	6	useful	useful	ADJ
american_scientific_journal-5341	52	7	concepts	concept	NOUN
american_scientific_journal-5341	52	8	to	to	PART
american_scientific_journal-5341	52	9	explain	explain	VERB
american_scientific_journal-5341	52	10	electronic	electronic	ADJ
american_scientific_journal-5341	52	11	aspects	aspect	NOUN
american_scientific_journal-5341	52	12	of	of	ADP
american_scientific_journal-5341	52	13	reactivity	reactivity	NOUN
american_scientific_journal-5341	52	14	,	,	PUNCT
american_scientific_journal-5341	52	15	selectivity	selectivity	NOUN
american_scientific_journal-5341	52	16	,	,	PUNCT
american_scientific_journal-5341	52	17	substituent	substituent	NOUN
american_scientific_journal-5341	52	18	effects	effect	NOUN
american_scientific_journal-5341	52	19	,	,	PUNCT
american_scientific_journal-5341	52	20	solvent	solvent	NOUN
american_scientific_journal-5341	52	21	effects	effect	NOUN
american_scientific_journal-5341	52	22	,	,	PUNCT
american_scientific_journal-5341	52	23	etc	etc	X
american_scientific_journal-5341	52	24	.	.	X
american_scientific_journal-5341	52	25	,	,	PUNCT
american_scientific_journal-5341	52	26	the	the	DET
american_scientific_journal-5341	52	27	development	development	NOUN
american_scientific_journal-5341	52	28	of	of	ADP
american_scientific_journal-5341	52	29	such	such	ADJ
american_scientific_journal-5341	52	30	scales	scale	NOUN
american_scientific_journal-5341	52	31	becomes	become	VERB
american_scientific_journal-5341	52	32	strongly	strongly	ADV
american_scientific_journal-5341	52	33	justified	justify	VERB
american_scientific_journal-5341	52	34	.	.	PUNCT
american_scientific_journal-5341	53	1	within	within	ADP
american_scientific_journal-5341	53	2	this	this	DET
american_scientific_journal-5341	53	3	point	point	NOUN
american_scientific_journal-5341	53	4	of	of	ADP
american_scientific_journal-5341	53	5	view	view	NOUN
american_scientific_journal-5341	53	6	,	,	PUNCT
american_scientific_journal-5341	53	7	the	the	DET
american_scientific_journal-5341	53	8	electrophilicity	electrophilicity	NOUN
american_scientific_journal-5341	53	9	index	index	NOUN
american_scientific_journal-5341	53	10	(	(	PUNCT
american_scientific_journal-5341	53	11	ω	ω	NOUN
american_scientific_journal-5341	53	12	=	=	SYM
american_scientific_journal-5341	53	13	μ	μ	PROPN
american_scientific_journal-5341	53	14	2	2	NUM
american_scientific_journal-5341	53	15	/2η	/2η	PUNCT
american_scientific_journal-5341	53	16	)	)	PUNCT
american_scientific_journal-5341	53	17	which	which	PRON
american_scientific_journal-5341	53	18	measures	measure	VERB
american_scientific_journal-5341	53	19	the	the	DET
american_scientific_journal-5341	53	20	total	total	ADJ
american_scientific_journal-5341	53	21	ability	ability	NOUN
american_scientific_journal-5341	53	22	to	to	PART
american_scientific_journal-5341	53	23	attract	attract	VERB
american_scientific_journal-5341	53	24	electrons	electron	NOUN
american_scientific_journal-5341	53	25	,	,	PUNCT
american_scientific_journal-5341	53	26	shows	show	VERB
american_scientific_journal-5341	53	27	the	the	DET
american_scientific_journal-5341	53	28	tendency	tendency	NOUN
american_scientific_journal-5341	53	29	of	of	ADP
american_scientific_journal-5341	53	30	an	an	DET
american_scientific_journal-5341	53	31	electrophile	electrophile	NOUN
american_scientific_journal-5341	53	32	to	to	PART
american_scientific_journal-5341	53	33	acquire	acquire	VERB
american_scientific_journal-5341	53	34	an	an	DET
american_scientific_journal-5341	53	35	extra	extra	ADJ
american_scientific_journal-5341	53	36	amount	amount	NOUN
american_scientific_journal-5341	53	37	of	of	ADP
american_scientific_journal-5341	53	38	electron	electron	NOUN
american_scientific_journal-5341	53	39	density	density	NOUN
american_scientific_journal-5341	53	40	,	,	PUNCT
american_scientific_journal-5341	53	41	and	and	CCONJ
american_scientific_journal-5341	53	42	the	the	DET
american_scientific_journal-5341	53	43	resistance	resistance	NOUN
american_scientific_journal-5341	53	44	of	of	ADP
american_scientific_journal-5341	53	45	a	a	DET
american_scientific_journal-5341	53	46	molecule	molecule	NOUN
american_scientific_journal-5341	53	47	to	to	PART
american_scientific_journal-5341	53	48	exchange	exchange	VERB
american_scientific_journal-5341	53	49	electron	electron	NOUN
american_scientific_journal-5341	53	50	density	density	NOUN
american_scientific_journal-5341	53	51	with	with	ADP
american_scientific_journal-5341	53	52	the	the	DET
american_scientific_journal-5341	53	53	environment	environment	NOUN
american_scientific_journal-5341	53	54	given	give	VERB
american_scientific_journal-5341	53	55	by	by	ADP
american_scientific_journal-5341	53	56	the	the	DET
american_scientific_journal-5341	53	57	chemical	chemical	ADJ
american_scientific_journal-5341	53	58	hardness	hardness	NOUN
american_scientific_journal-5341	53	59	(	(	PUNCT
american_scientific_journal-5341	53	60	η	η	PROPN
american_scientific_journal-5341	53	61	)	)	PUNCT
american_scientific_journal-5341	53	62	&	&	CCONJ
american_scientific_journal-5341	53	63	softness	softness	PROPN
american_scientific_journal-5341	53	64	(	(	PUNCT
american_scientific_journal-5341	53	65	σ	σ	NOUN
american_scientific_journal-5341	53	66	)	)	PUNCT
american_scientific_journal-5341	53	67	has	have	AUX
american_scientific_journal-5341	53	68	shown	show	VERB
american_scientific_journal-5341	53	69	to	to	PART
american_scientific_journal-5341	53	70	be	be	AUX
american_scientific_journal-5341	53	71	a	a	DET
american_scientific_journal-5341	53	72	powerful	powerful	ADJ
american_scientific_journal-5341	53	73	tool	tool	NOUN
american_scientific_journal-5341	53	74	.	.	PUNCT
american_scientific_journal-5341	54	1	furthermore	furthermore	ADV
american_scientific_journal-5341	54	2	,	,	PUNCT
american_scientific_journal-5341	54	3	there	there	PRON
american_scientific_journal-5341	54	4	are	be	VERB
american_scientific_journal-5341	54	5	many	many	ADJ
american_scientific_journal-5341	54	6	attempts	attempt	NOUN
american_scientific_journal-5341	54	7	to	to	PART
american_scientific_journal-5341	54	8	define	define	VERB
american_scientific_journal-5341	54	9	a	a	DET
american_scientific_journal-5341	54	10	nucleophilicity	nucleophilicity	NOUN
american_scientific_journal-5341	54	11	index	index	NOUN
american_scientific_journal-5341	54	12	,	,	PUNCT
american_scientific_journal-5341	54	13	simple	simple	ADJ
american_scientific_journal-5341	54	14	index	index	NOUN
american_scientific_journal-5341	54	15	was	be	AUX
american_scientific_journal-5341	54	16	chosen	choose	VERB
american_scientific_journal-5341	54	17	for	for	ADP
american_scientific_journal-5341	54	18	the	the	DET
american_scientific_journal-5341	54	19	nucleophilicity	nucleophilicity	NOUN
american_scientific_journal-5341	54	20	(	(	PUNCT
american_scientific_journal-5341	54	21	n	n	CCONJ
american_scientific_journal-5341	54	22	)	)	PUNCT
american_scientific_journal-5341	54	23	which	which	PRON
american_scientific_journal-5341	54	24	explain	explain	VERB
american_scientific_journal-5341	54	25	the	the	DET
american_scientific_journal-5341	54	26	maximum	maximum	ADJ
american_scientific_journal-5341	54	27	number	number	NOUN
american_scientific_journal-5341	54	28	of	of	ADP
american_scientific_journal-5341	54	29	electrons	electron	NOUN
american_scientific_journal-5341	54	30	that	that	PRON
american_scientific_journal-5341	54	31	an	an	DET
american_scientific_journal-5341	54	32	electrophile	electrophile	NOUN
american_scientific_journal-5341	54	33	can	can	AUX
american_scientific_journal-5341	54	34	acquire	acquire	VERB
american_scientific_journal-5341	54	35	,	,	PUNCT
american_scientific_journal-5341	54	36	based	base	VERB
american_scientific_journal-5341	54	37	on	on	ADP
american_scientific_journal-5341	54	38	the	the	DET
american_scientific_journal-5341	54	39	homo	homo	NOUN
american_scientific_journal-5341	54	40	energy	energy	NOUN
american_scientific_journal-5341	54	41	,	,	PUNCT
american_scientific_journal-5341	54	42	within	within	ADP
american_scientific_journal-5341	54	43	dft	dft	PROPN
american_scientific_journal-5341	54	44	calculations	calculation	NOUN
american_scientific_journal-5341	54	45	,	,	PUNCT
american_scientific_journal-5341	54	46	explain	explain	VERB
american_scientific_journal-5341	54	47	the	the	DET
american_scientific_journal-5341	54	48	reactivity	reactivity	NOUN
american_scientific_journal-5341	54	49	of	of	ADP
american_scientific_journal-5341	54	50	the	the	DET
american_scientific_journal-5341	54	51	organic	organic	ADJ
american_scientific_journal-5341	54	52	material	material	NOUN
american_scientific_journal-5341	54	53	towards	towards	ADP
american_scientific_journal-5341	54	54	electrophiles	electrophile	NOUN
american_scientific_journal-5341	54	55	[	[	X
american_scientific_journal-5341	54	56	11,37,38	11,37,38	X
american_scientific_journal-5341	54	57	]	]	PUNCT
american_scientific_journal-5341	54	58	.	.	PUNCT
american_scientific_journal-5341	55	1	the	the	DET
american_scientific_journal-5341	55	2	simple	simple	ADJ
american_scientific_journal-5341	55	3	nucleophilicity	nucleophilicity	NOUN
american_scientific_journal-5341	55	4	index	index	NOUN
american_scientific_journal-5341	55	5	(	(	PUNCT
american_scientific_journal-5341	55	6	n	n	CCONJ
american_scientific_journal-5341	55	7	)	)	PUNCT
american_scientific_journal-5341	55	8	is	be	AUX
american_scientific_journal-5341	55	9	defined	define	VERB
american_scientific_journal-5341	55	10	as	as	ADP
american_scientific_journal-5341	55	11	n	n	NOUN
american_scientific_journal-5341	55	12	=	=	SYM
american_scientific_journal-5341	55	13	ehomo	ehomo	ADJ
american_scientific_journal-5341	55	14	(	(	PUNCT
american_scientific_journal-5341	55	15	ev	ev	NOUN
american_scientific_journal-5341	55	16	)	)	PUNCT
american_scientific_journal-5341	55	17	+	+	NUM
american_scientific_journal-5341	55	18	9.12	9.12	NUM
american_scientific_journal-5341	55	19	(	(	PUNCT
american_scientific_journal-5341	55	20	ev	ev	PROPN
american_scientific_journal-5341	55	21	)	)	PUNCT
american_scientific_journal-5341	55	22	,	,	PUNCT
american_scientific_journal-5341	55	23	where	where	SCONJ
american_scientific_journal-5341	55	24	-9.12	-9.12	NOUN
american_scientific_journal-5341	55	25	is	be	AUX
american_scientific_journal-5341	55	26	the	the	DET
american_scientific_journal-5341	55	27	energy	energy	NOUN
american_scientific_journal-5341	55	28	of	of	ADP
american_scientific_journal-5341	55	29	the	the	DET
american_scientific_journal-5341	55	30	homo	homo	NOUN
american_scientific_journal-5341	55	31	of	of	ADP
american_scientific_journal-5341	55	32	tetracyano	tetracyano	NOUN
american_scientific_journal-5341	55	33	ethylene	ethylene	NOUN
american_scientific_journal-5341	55	34	(	(	PUNCT
american_scientific_journal-5341	55	35	tce	tce	PROPN
american_scientific_journal-5341	55	36	)	)	PUNCT
american_scientific_journal-5341	55	37	,	,	PUNCT
american_scientific_journal-5341	55	38	this	this	DET
american_scientific_journal-5341	55	39	nucleophilicity	nucleophilicity	NOUN
american_scientific_journal-5341	55	40	scale	scale	NOUN
american_scientific_journal-5341	55	41	is	be	AUX
american_scientific_journal-5341	55	42	referred	refer	VERB
american_scientific_journal-5341	55	43	to	to	ADP
american_scientific_journal-5341	55	44	tce	tce	PROPN
american_scientific_journal-5341	55	45	and	and	CCONJ
american_scientific_journal-5341	55	46	taken	take	VERB
american_scientific_journal-5341	55	47	as	as	ADP
american_scientific_journal-5341	55	48	a	a	DET
american_scientific_journal-5341	55	49	reference	reference	NOUN
american_scientific_journal-5341	55	50	because	because	SCONJ
american_scientific_journal-5341	55	51	tce	tce	PROPN
american_scientific_journal-5341	55	52	exhibits	exhibit	VERB
american_scientific_journal-5341	55	53	the	the	DET
american_scientific_journal-5341	55	54	lowest	low	ADJ
american_scientific_journal-5341	55	55	homo	homo	NOUN
american_scientific_journal-5341	55	56	energy	energy	NOUN
american_scientific_journal-5341	55	57	(=	(=	NOUN
american_scientific_journal-5341	55	58	-9.12	-9.12	NUM
american_scientific_journal-5341	55	59	ev	ev	NOUN
american_scientific_journal-5341	55	60	)	)	PUNCT
american_scientific_journal-5341	55	61	.	.	PUNCT
american_scientific_journal-5341	56	1	for	for	ADP
american_scientific_journal-5341	56	2	instance	instance	NOUN
american_scientific_journal-5341	56	3	,	,	PUNCT
american_scientific_journal-5341	56	4	roy	roy	PROPN
american_scientific_journal-5341	56	5	and	and	CCONJ
american_scientific_journal-5341	56	6	his	his	PRON
american_scientific_journal-5341	56	7	colleagues	colleague	NOUN
american_scientific_journal-5341	57	1	[	[	X
american_scientific_journal-5341	57	2	39	39	NUM
american_scientific_journal-5341	57	3	]	]	PUNCT
american_scientific_journal-5341	57	4	proposed	propose	VERB
american_scientific_journal-5341	57	5	the	the	DET
american_scientific_journal-5341	57	6	local	local	ADJ
american_scientific_journal-5341	57	7	hardness	hardness	NOUN
american_scientific_journal-5341	57	8	and	and	CCONJ
american_scientific_journal-5341	57	9	softness	softness	NOUN
american_scientific_journal-5341	57	10	based	base	VERB
american_scientific_journal-5341	57	11	on	on	ADP
american_scientific_journal-5341	57	12	dft	dft	NOUN
american_scientific_journal-5341	57	13	reactivity	reactivity	NOUN
american_scientific_journal-5341	57	14	descriptors	descriptor	NOUN
american_scientific_journal-5341	57	15	predict	predict	VERB
american_scientific_journal-5341	57	16	both	both	DET
american_scientific_journal-5341	57	17	intramolecular	intramolecular	ADJ
american_scientific_journal-5341	57	18	and	and	CCONJ
american_scientific_journal-5341	57	19	intermolecular	intermolecular	ADJ
american_scientific_journal-5341	57	20	nucleophilic	nucleophilic	ADJ
american_scientific_journal-5341	57	21	attacks	attack	NOUN
american_scientific_journal-5341	57	22	on	on	ADP
american_scientific_journal-5341	57	23	carbonyl	carbonyl	NOUN
american_scientific_journal-5341	57	24	compounds	compound	NOUN
american_scientific_journal-5341	57	25	.	.	PUNCT
american_scientific_journal-5341	58	1	on	on	ADP
american_scientific_journal-5341	58	2	the	the	DET
american_scientific_journal-5341	58	3	other	other	ADJ
american_scientific_journal-5341	58	4	hand	hand	NOUN
american_scientific_journal-5341	58	5	,	,	PUNCT
american_scientific_journal-5341	58	6	chattaraj	chattaraj	ADJ
american_scientific_journal-5341	58	7	and	and	CCONJ
american_scientific_journal-5341	58	8	his	his	PRON
american_scientific_journal-5341	58	9	colleagues	colleague	NOUN
american_scientific_journal-5341	58	10	suggested	suggest	VERB
american_scientific_journal-5341	58	11	that	that	SCONJ
american_scientific_journal-5341	58	12	the	the	DET
american_scientific_journal-5341	58	13	inverse	inverse	NOUN
american_scientific_journal-5341	58	14	of	of	ADP
american_scientific_journal-5341	58	15	electrophilicity	electrophilicity	NOUN
american_scientific_journal-5341	58	16	(	(	PUNCT
american_scientific_journal-5341	58	17	x	x	X
american_scientific_journal-5341	58	18	)	)	PUNCT
american_scientific_journal-5341	58	19	can	can	AUX
american_scientific_journal-5341	58	20	also	also	ADV
american_scientific_journal-5341	58	21	be	be	AUX
american_scientific_journal-5341	58	22	a	a	DET
american_scientific_journal-5341	58	23	valid	valid	ADJ
american_scientific_journal-5341	58	24	measure	measure	NOUN
american_scientific_journal-5341	58	25	of	of	ADP
american_scientific_journal-5341	58	26	nucleophilicity	nucleophilicity	NOUN
american_scientific_journal-5341	58	27	[	[	X
american_scientific_journal-5341	58	28	40	40	NUM
american_scientific_journal-5341	58	29	]	]	PUNCT
american_scientific_journal-5341	58	30	.	.	PUNCT
american_scientific_journal-5341	59	1	the	the	DET
american_scientific_journal-5341	59	2	american	american	PROPN
american_scientific_journal-5341	59	3	scientific	scientific	PROPN
american_scientific_journal-5341	59	4	research	research	PROPN
american_scientific_journal-5341	59	5	journal	journal	NOUN
american_scientific_journal-5341	59	6	for	for	ADP
american_scientific_journal-5341	59	7	engineering	engineering	NOUN
american_scientific_journal-5341	59	8	,	,	PUNCT
american_scientific_journal-5341	59	9	technology	technology	NOUN
american_scientific_journal-5341	59	10	,	,	PUNCT
american_scientific_journal-5341	59	11	and	and	CCONJ
american_scientific_journal-5341	59	12	sciences	science	NOUN
american_scientific_journal-5341	59	13	(	(	PUNCT
american_scientific_journal-5341	59	14	asrjets	asrjet	NOUN
american_scientific_journal-5341	59	15	)	)	PUNCT
american_scientific_journal-5341	59	16	(	(	PUNCT
american_scientific_journal-5341	59	17	2019	2019	NUM
american_scientific_journal-5341	59	18	)	)	PUNCT
american_scientific_journal-5341	59	19	volume	volume	NOUN
american_scientific_journal-5341	59	20	61	61	NUM
american_scientific_journal-5341	59	21	,	,	PUNCT
american_scientific_journal-5341	59	22	no	no	DET
american_scientific_journal-5341	59	23	1	1	NUM
american_scientific_journal-5341	59	24	,	,	PUNCT
american_scientific_journal-5341	59	25	pp	pp	ADV
american_scientific_journal-5341	59	26	75	75	NUM
american_scientific_journal-5341	59	27	-	-	SYM
american_scientific_journal-5341	59	28	91	91	NUM
american_scientific_journal-5341	59	29	80	80	NUM
american_scientific_journal-5341	59	30	activation	activation	NOUN
american_scientific_journal-5341	59	31	parameters	parameter	NOUN
american_scientific_journal-5341	59	32	of	of	ADP
american_scientific_journal-5341	59	33	the	the	DET
american_scientific_journal-5341	59	34	starting	start	VERB
american_scientific_journal-5341	59	35	pyrazol	pyrazol	NOUN
american_scientific_journal-5341	59	36	-	-	PUNCT
american_scientific_journal-5341	59	37	carbaldehyde	carbaldehyde	NOUN
american_scientific_journal-5341	59	38	has	have	AUX
american_scientific_journal-5341	59	39	been	be	AUX
american_scientific_journal-5341	59	40	calculated	calculate	VERB
american_scientific_journal-5341	59	41	according	accord	VERB
american_scientific_journal-5341	59	42	to	to	ADP
american_scientific_journal-5341	59	43	the	the	DET
american_scientific_journal-5341	59	44	previous	previous	ADJ
american_scientific_journal-5341	59	45	equations	equation	NOUN
american_scientific_journal-5341	59	46	.	.	PUNCT
american_scientific_journal-5341	60	1	from	from	ADP
american_scientific_journal-5341	60	2	the	the	DET
american_scientific_journal-5341	60	3	results	result	NOUN
american_scientific_journal-5341	60	4	depicted	depict	VERB
american_scientific_journal-5341	60	5	in	in	ADP
american_scientific_journal-5341	60	6	table	table	NOUN
american_scientific_journal-5341	60	7	2	2	NUM
american_scientific_journal-5341	60	8	we	we	PRON
american_scientific_journal-5341	60	9	can	can	AUX
american_scientific_journal-5341	60	10	conclude	conclude	VERB
american_scientific_journal-5341	60	11	that	that	PRON
american_scientific_journal-5341	60	12	,	,	PUNCT
american_scientific_journal-5341	60	13	the	the	DET
american_scientific_journal-5341	60	14	target	target	NOUN
american_scientific_journal-5341	60	15	molecule	molecule	NOUN
american_scientific_journal-5341	60	16	with	with	ADP
american_scientific_journal-5341	60	17	high	high	ADJ
american_scientific_journal-5341	60	18	electrophilicity	electrophilicity	NOUN
american_scientific_journal-5341	60	19	index	index	NOUN
american_scientific_journal-5341	60	20	(	(	PUNCT
american_scientific_journal-5341	60	21	ω)=	ω)=	NOUN
american_scientific_journal-5341	60	22	7.241ev	7.241ev	NUM
american_scientific_journal-5341	60	23	and	and	CCONJ
american_scientific_journal-5341	60	24	small	small	ADJ
american_scientific_journal-5341	60	25	value	value	NOUN
american_scientific_journal-5341	60	26	of	of	ADP
american_scientific_journal-5341	60	27	nucleophilicity	nucleophilicity	NOUN
american_scientific_journal-5341	60	28	index	index	NOUN
american_scientific_journal-5341	60	29	=	=	NOUN
american_scientific_journal-5341	60	30	2.86	2.86	NUM
american_scientific_journal-5341	60	31	is	be	AUX
american_scientific_journal-5341	60	32	considered	consider	VERB
american_scientific_journal-5341	60	33	to	to	PART
american_scientific_journal-5341	60	34	be	be	AUX
american_scientific_journal-5341	60	35	more	more	ADV
american_scientific_journal-5341	60	36	likely	likely	ADV
american_scientific_journal-5341	60	37	attacked	attack	VERB
american_scientific_journal-5341	60	38	by	by	ADP
american_scientific_journal-5341	60	39	a	a	DET
american_scientific_journal-5341	60	40	nucleophile	nucleophile	NOUN
american_scientific_journal-5341	60	41	,	,	PUNCT
american_scientific_journal-5341	60	42	which	which	PRON
american_scientific_journal-5341	60	43	is	be	AUX
american_scientific_journal-5341	60	44	in	in	ADP
american_scientific_journal-5341	60	45	agreement	agreement	NOUN
american_scientific_journal-5341	60	46	with	with	ADP
american_scientific_journal-5341	60	47	the	the	DET
american_scientific_journal-5341	60	48	suggested	suggest	VERB
american_scientific_journal-5341	60	49	mechanisms	mechanism	NOUN
american_scientific_journal-5341	60	50	for	for	ADP
american_scientific_journal-5341	60	51	the	the	DET
american_scientific_journal-5341	60	52	synthesized	synthesize	VERB
american_scientific_journal-5341	60	53	of	of	ADP
american_scientific_journal-5341	60	54	heterocyclic	heterocyclic	ADJ
american_scientific_journal-5341	60	55	compounds	compound	NOUN
american_scientific_journal-5341	60	56	from	from	ADP
american_scientific_journal-5341	60	57	the	the	DET
american_scientific_journal-5341	60	58	target	target	NOUN
american_scientific_journal-5341	60	59	compound	compound	NOUN
american_scientific_journal-5341	60	60	in	in	ADP
american_scientific_journal-5341	60	61	our	our	PRON
american_scientific_journal-5341	60	62	recent	recent	ADJ
american_scientific_journal-5341	60	63	article	article	NOUN
american_scientific_journal-5341	60	64	[	[	X
american_scientific_journal-5341	60	65	22	22	NUM
american_scientific_journal-5341	60	66	]	]	PUNCT
american_scientific_journal-5341	60	67	.	.	PUNCT
american_scientific_journal-5341	61	1	also	also	ADV
american_scientific_journal-5341	61	2	,	,	PUNCT
american_scientific_journal-5341	61	3	the	the	DET
american_scientific_journal-5341	61	4	high	high	ADJ
american_scientific_journal-5341	61	5	value	value	NOUN
american_scientific_journal-5341	61	6	of	of	ADP
american_scientific_journal-5341	61	7	the	the	DET
american_scientific_journal-5341	61	8	chemical	chemical	NOUN
american_scientific_journal-5341	61	9	potential	potential	NOUN
american_scientific_journal-5341	61	10	(	(	PUNCT
american_scientific_journal-5341	61	11	-4.721	-4.721	NOUN
american_scientific_journal-5341	61	12	ev	ev	NOUN
american_scientific_journal-5341	61	13	)	)	PUNCT
american_scientific_journal-5341	61	14	confirm	confirm	VERB
american_scientific_journal-5341	61	15	our	our	PRON
american_scientific_journal-5341	61	16	conclusion	conclusion	NOUN
american_scientific_journal-5341	61	17	.	.	PUNCT
american_scientific_journal-5341	62	1	table	table	NOUN
american_scientific_journal-5341	62	2	2	2	NUM
american_scientific_journal-5341	62	3	:	:	PUNCT
american_scientific_journal-5341	63	1	reactivity	reactivity	NOUN
american_scientific_journal-5341	63	2	descriptors	descriptor	NOUN
american_scientific_journal-5341	63	3	of	of	ADP
american_scientific_journal-5341	63	4	the	the	DET
american_scientific_journal-5341	63	5	studied	study	VERB
american_scientific_journal-5341	63	6	compound	compound	NOUN
american_scientific_journal-5341	63	7	3.4	3.4	NUM
american_scientific_journal-5341	63	8	.	.	PUNCT
american_scientific_journal-5341	64	1	molecular	molecular	ADJ
american_scientific_journal-5341	64	2	electrostatic	electrostatic	ADJ
american_scientific_journal-5341	64	3	potential	potential	ADJ
american_scientific_journal-5341	64	4	molecular	molecular	ADJ
american_scientific_journal-5341	64	5	electrostatic	electrostatic	ADJ
american_scientific_journal-5341	64	6	potential	potential	NOUN
american_scientific_journal-5341	64	7	(	(	PUNCT
american_scientific_journal-5341	64	8	mesp	mesp	NOUN
american_scientific_journal-5341	64	9	)	)	PUNCT
american_scientific_journal-5341	64	10	diagram	diagram	NOUN
american_scientific_journal-5341	64	11	has	have	AUX
american_scientific_journal-5341	64	12	been	be	AUX
american_scientific_journal-5341	64	13	also	also	ADV
american_scientific_journal-5341	64	14	used	use	VERB
american_scientific_journal-5341	64	15	to	to	PART
american_scientific_journal-5341	64	16	predict	predict	VERB
american_scientific_journal-5341	64	17	the	the	DET
american_scientific_journal-5341	64	18	reactive	reactive	ADJ
american_scientific_journal-5341	64	19	sites	site	NOUN
american_scientific_journal-5341	64	20	for	for	ADP
american_scientific_journal-5341	64	21	electrophilic	electrophilic	ADJ
american_scientific_journal-5341	64	22	and	and	CCONJ
american_scientific_journal-5341	64	23	nucleophilic	nucleophilic	ADJ
american_scientific_journal-5341	64	24	attack	attack	NOUN
american_scientific_journal-5341	64	25	,	,	PUNCT
american_scientific_journal-5341	64	26	as	as	ADV
american_scientific_journal-5341	64	27	well	well	ADV
american_scientific_journal-5341	64	28	as	as	ADP
american_scientific_journal-5341	64	29	hydrogen	hydrogen	NOUN
american_scientific_journal-5341	64	30	bonding	bonding	NOUN
american_scientific_journal-5341	64	31	interaction	interaction	NOUN
american_scientific_journal-5341	64	32	[	[	X
american_scientific_journal-5341	64	33	41	41	NUM
american_scientific_journal-5341	64	34	-	-	SYM
american_scientific_journal-5341	64	35	43	43	NUM
american_scientific_journal-5341	64	36	]	]	PUNCT
american_scientific_journal-5341	64	37	,	,	PUNCT
american_scientific_journal-5341	64	38	the	the	DET
american_scientific_journal-5341	64	39	mep	mep	PROPN
american_scientific_journal-5341	64	40	of	of	ADP
american_scientific_journal-5341	64	41	the	the	DET
american_scientific_journal-5341	64	42	studied	study	VERB
american_scientific_journal-5341	64	43	compound	compound	NOUN
american_scientific_journal-5341	64	44	1	1	NUM
american_scientific_journal-5341	64	45	calculated	calculate	VERB
american_scientific_journal-5341	64	46	using	use	VERB
american_scientific_journal-5341	64	47	b3lyp	b3lyp	PROPN
american_scientific_journal-5341	64	48	method	method	NOUN
american_scientific_journal-5341	64	49	with	with	ADP
american_scientific_journal-5341	64	50	6‒311	6‒311	NUM
american_scientific_journal-5341	64	51	g	g	NOUN
american_scientific_journal-5341	64	52	(	(	PUNCT
american_scientific_journal-5341	64	53	d	d	PROPN
american_scientific_journal-5341	64	54	,	,	PUNCT
american_scientific_journal-5341	64	55	p	p	NOUN
american_scientific_journal-5341	64	56	)	)	PUNCT
american_scientific_journal-5341	64	57	basis	basis	NOUN
american_scientific_journal-5341	64	58	set	set	NOUN
american_scientific_journal-5341	64	59	is	be	AUX
american_scientific_journal-5341	64	60	shown	show	VERB
american_scientific_journal-5341	64	61	in	in	ADP
american_scientific_journal-5341	64	62	figure	figure	NOUN
american_scientific_journal-5341	64	63	4	4	NUM
american_scientific_journal-5341	64	64	.	.	PUNCT
american_scientific_journal-5341	65	1	this	this	DET
american_scientific_journal-5341	65	2	figure	figure	NOUN
american_scientific_journal-5341	65	3	provides	provide	VERB
american_scientific_journal-5341	65	4	a	a	DET
american_scientific_journal-5341	65	5	visual	visual	ADJ
american_scientific_journal-5341	65	6	representation	representation	NOUN
american_scientific_journal-5341	65	7	of	of	ADP
american_scientific_journal-5341	65	8	the	the	DET
american_scientific_journal-5341	65	9	chemically	chemically	ADV
american_scientific_journal-5341	65	10	active	active	ADJ
american_scientific_journal-5341	65	11	sites	site	NOUN
american_scientific_journal-5341	65	12	and	and	CCONJ
american_scientific_journal-5341	65	13	comparative	comparative	ADJ
american_scientific_journal-5341	65	14	reactivity	reactivity	NOUN
american_scientific_journal-5341	65	15	of	of	ADP
american_scientific_journal-5341	65	16	atoms	atom	NOUN
american_scientific_journal-5341	65	17	.	.	PUNCT
american_scientific_journal-5341	66	1	potential	potential	ADJ
american_scientific_journal-5341	66	2	increases	increase	NOUN
american_scientific_journal-5341	66	3	in	in	ADP
american_scientific_journal-5341	66	4	the	the	DET
american_scientific_journal-5341	66	5	order	order	NOUN
american_scientific_journal-5341	66	6	red	red	VERB
american_scientific_journal-5341	66	7	<	<	X
american_scientific_journal-5341	66	8	orange	orange	PROPN
american_scientific_journal-5341	66	9	<	<	X
american_scientific_journal-5341	66	10	yellow	yellow	ADJ
american_scientific_journal-5341	66	11	<	<	X
american_scientific_journal-5341	66	12	green	green	ADJ
american_scientific_journal-5341	66	13	<	<	X
american_scientific_journal-5341	66	14	blue	blue	NOUN
american_scientific_journal-5341	66	15	.	.	PUNCT
american_scientific_journal-5341	67	1	the	the	DET
american_scientific_journal-5341	67	2	map	map	NOUN
american_scientific_journal-5341	67	3	represents	represent	VERB
american_scientific_journal-5341	67	4	that	that	SCONJ
american_scientific_journal-5341	67	5	the	the	DET
american_scientific_journal-5341	67	6	region	region	NOUN
american_scientific_journal-5341	67	7	of	of	ADP
american_scientific_journal-5341	67	8	maximum	maximum	ADJ
american_scientific_journal-5341	67	9	negative	negative	ADJ
american_scientific_journal-5341	67	10	electrostatic	electrostatic	ADJ
american_scientific_journal-5341	67	11	potential	potential	NOUN
american_scientific_journal-5341	67	12	is	be	AUX
american_scientific_journal-5341	67	13	situated	situate	VERB
american_scientific_journal-5341	67	14	around	around	ADP
american_scientific_journal-5341	67	15	the	the	DET
american_scientific_journal-5341	67	16	aldehyde	aldehyde	NOUN
american_scientific_journal-5341	67	17	group	group	NOUN
american_scientific_journal-5341	67	18	with	with	ADP
american_scientific_journal-5341	67	19	mep	mep	PROPN
american_scientific_journal-5341	67	20	value	value	NOUN
american_scientific_journal-5341	67	21	around	around	ADV
american_scientific_journal-5341	67	22	-6.822	-6.822	PROPN
american_scientific_journal-5341	67	23	a.u	a.u	PROPN
american_scientific_journal-5341	67	24	and	and	CCONJ
american_scientific_journal-5341	67	25	the	the	DET
american_scientific_journal-5341	67	26	most	most	ADV
american_scientific_journal-5341	67	27	positive	positive	ADJ
american_scientific_journal-5341	67	28	region	region	NOUN
american_scientific_journal-5341	67	29	is	be	AUX
american_scientific_journal-5341	67	30	found	find	VERB
american_scientific_journal-5341	67	31	at	at	ADP
american_scientific_journal-5341	67	32	phenyl	phenyl	NOUN
american_scientific_journal-5341	67	33	hydrazone	hydrazone	NOUN
american_scientific_journal-5341	67	34	moiety	moiety	NOUN
american_scientific_journal-5341	67	35	&	&	CCONJ
american_scientific_journal-5341	67	36	with	with	ADP
american_scientific_journal-5341	67	37	a	a	DET
american_scientific_journal-5341	67	38	value	value	NOUN
american_scientific_journal-5341	67	39	of	of	ADP
american_scientific_journal-5341	67	40	+6.822	+6.822	NOUN
american_scientific_journal-5341	67	41	a.u	a.u	PROPN
american_scientific_journal-5341	67	42	.	.	PROPN
american_scientific_journal-5341	67	43	parameter	parameter	PROPN
american_scientific_journal-5341	67	44	value	value	NOUN
american_scientific_journal-5341	67	45	homo	homo	NOUN
american_scientific_journal-5341	67	46	energy	energy	NOUN
american_scientific_journal-5341	67	47	(	(	PUNCT
american_scientific_journal-5341	67	48	ev	ev	NOUN
american_scientific_journal-5341	67	49	)	)	PUNCT
american_scientific_journal-5341	67	50	lumo	lumo	NOUN
american_scientific_journal-5341	67	51	energy	energy	NOUN
american_scientific_journal-5341	67	52	(	(	PUNCT
american_scientific_journal-5341	67	53	ev	ev	NOUN
american_scientific_journal-5341	67	54	)	)	PUNCT
american_scientific_journal-5341	67	55	energy	energy	NOUN
american_scientific_journal-5341	67	56	gap	gap	NOUN
american_scientific_journal-5341	67	57	(	(	PUNCT
american_scientific_journal-5341	67	58	ev	ev	NOUN
american_scientific_journal-5341	67	59	)	)	PUNCT
american_scientific_journal-5341	67	60	ionization	ionization	NOUN
american_scientific_journal-5341	67	61	potential	potential	NOUN
american_scientific_journal-5341	67	62	ip	ip	NOUN
american_scientific_journal-5341	67	63	(	(	PUNCT
american_scientific_journal-5341	67	64	-ehomo	-ehomo	NOUN
american_scientific_journal-5341	67	65	)	)	PUNCT
american_scientific_journal-5341	67	66	electron	electron	NOUN
american_scientific_journal-5341	67	67	affinity	affinity	NOUN
american_scientific_journal-5341	67	68	ea	ea	PROPN
american_scientific_journal-5341	67	69	(	(	PUNCT
american_scientific_journal-5341	67	70	-elumo	-elumo	ADJ
american_scientific_journal-5341	67	71	)	)	PUNCT
american_scientific_journal-5341	67	72	electronegativity	electronegativity	NOUN
american_scientific_journal-5341	67	73	χ	χ	NOUN
american_scientific_journal-5341	67	74	=	=	X
american_scientific_journal-5341	67	75	(	(	PUNCT
american_scientific_journal-5341	67	76	ip	ip	DET
american_scientific_journal-5341	67	77	+	+	ADJ
american_scientific_journal-5341	67	78	ea)/2	ea)/2	ADJ
american_scientific_journal-5341	67	79	chemical	chemical	ADJ
american_scientific_journal-5341	67	80	potential	potential	NOUN
american_scientific_journal-5341	67	81	μ	μ	NOUN
american_scientific_journal-5341	67	82	=	=	SYM
american_scientific_journal-5341	68	1	-χ	-χ	NUM
american_scientific_journal-5341	68	2	hardness	hardness	PROPN
american_scientific_journal-5341	68	3	η	η	X
american_scientific_journal-5341	68	4	=	=	SYM
american_scientific_journal-5341	68	5	(	(	PUNCT
american_scientific_journal-5341	68	6	ip	ip	ADV
american_scientific_journal-5341	68	7	-	-	PUNCT
american_scientific_journal-5341	68	8	ea)/2	ea)/2	VERB
american_scientific_journal-5341	68	9	softness	softness	NOUN
american_scientific_journal-5341	68	10	(	(	PUNCT
american_scientific_journal-5341	68	11	σ)=1/	σ)=1/	PROPN
american_scientific_journal-5341	68	12	η	η	PROPN
american_scientific_journal-5341	68	13	electrophlicity	electrophlicity	NOUN
american_scientific_journal-5341	68	14	index	index	NOUN
american_scientific_journal-5341	68	15	(	(	PUNCT
american_scientific_journal-5341	68	16	ω	ω	NOUN
american_scientific_journal-5341	68	17	)	)	PUNCT
american_scientific_journal-5341	68	18	=	=	SYM
american_scientific_journal-5341	69	1	μ2/	μ2/	PROPN
american_scientific_journal-5341	69	2	2η	2η	PROPN
american_scientific_journal-5341	69	3	nucleophilicity	nucleophilicity	NOUN
american_scientific_journal-5341	69	4	=	=	SYM
american_scientific_journal-5341	69	5	ehomo	ehomo	NOUN
american_scientific_journal-5341	69	6	+	+	CCONJ
american_scientific_journal-5341	69	7	9.12	9.12	NUM
american_scientific_journal-5341	69	8	-6.260	-6.260	PUNCT
american_scientific_journal-5341	69	9	-3.182	-3.182	NOUN
american_scientific_journal-5341	69	10	3.078	3.078	NUM
american_scientific_journal-5341	69	11	6.260	6.260	NUM
american_scientific_journal-5341	69	12	3.182	3.182	NUM
american_scientific_journal-5341	69	13	4.721	4.721	NUM
american_scientific_journal-5341	69	14	-4.721	-4.721	NUM
american_scientific_journal-5341	69	15	1.539	1.539	NUM
american_scientific_journal-5341	69	16	0.650	0.650	NUM
american_scientific_journal-5341	69	17	7.241	7.241	NUM
american_scientific_journal-5341	69	18	2.86	2.86	NUM
american_scientific_journal-5341	69	19	american	american	ADJ
american_scientific_journal-5341	69	20	scientific	scientific	ADJ
american_scientific_journal-5341	69	21	research	research	NOUN
american_scientific_journal-5341	69	22	journal	journal	NOUN
american_scientific_journal-5341	69	23	for	for	ADP
american_scientific_journal-5341	69	24	engineering	engineering	NOUN
american_scientific_journal-5341	69	25	,	,	PUNCT
american_scientific_journal-5341	69	26	technology	technology	NOUN
american_scientific_journal-5341	69	27	,	,	PUNCT
american_scientific_journal-5341	69	28	and	and	CCONJ
american_scientific_journal-5341	69	29	sciences	science	NOUN
american_scientific_journal-5341	69	30	(	(	PUNCT
american_scientific_journal-5341	69	31	asrjets	asrjet	NOUN
american_scientific_journal-5341	69	32	)	)	PUNCT
american_scientific_journal-5341	69	33	(	(	PUNCT
american_scientific_journal-5341	69	34	2019	2019	NUM
american_scientific_journal-5341	69	35	)	)	PUNCT
american_scientific_journal-5341	69	36	volume	volume	NOUN
american_scientific_journal-5341	69	37	61	61	NUM
american_scientific_journal-5341	69	38	,	,	PUNCT
american_scientific_journal-5341	69	39	no	no	DET
american_scientific_journal-5341	69	40	1	1	NUM
american_scientific_journal-5341	69	41	,	,	PUNCT
american_scientific_journal-5341	69	42	pp	pp	ADV
american_scientific_journal-5341	69	43	75	75	NUM
american_scientific_journal-5341	69	44	-	-	SYM
american_scientific_journal-5341	69	45	91	91	NUM
american_scientific_journal-5341	69	46	81	81	NUM
american_scientific_journal-5341	69	47	figure	figure	NOUN
american_scientific_journal-5341	69	48	4	4	NUM
american_scientific_journal-5341	69	49	:	:	PUNCT
american_scientific_journal-5341	69	50	electron	electron	NOUN
american_scientific_journal-5341	69	51	density	density	NOUN
american_scientific_journal-5341	69	52	from	from	ADP
american_scientific_journal-5341	69	53	total	total	ADJ
american_scientific_journal-5341	69	54	scf	scf	PROPN
american_scientific_journal-5341	69	55	density	density	NOUN
american_scientific_journal-5341	69	56	mapped	map	VERB
american_scientific_journal-5341	69	57	with	with	ADP
american_scientific_journal-5341	69	58	(	(	PUNCT
american_scientific_journal-5341	69	59	esp	esp	ADJ
american_scientific_journal-5341	69	60	)	)	PUNCT
american_scientific_journal-5341	69	61	of	of	ADP
american_scientific_journal-5341	69	62	title	title	NOUN
american_scientific_journal-5341	69	63	compound	compound	NOUN
american_scientific_journal-5341	69	64	(	(	PUNCT
american_scientific_journal-5341	69	65	isovalue	isovalue	NOUN
american_scientific_journal-5341	69	66	=	=	NOUN
american_scientific_journal-5341	69	67	0.0004	0.0004	NUM
american_scientific_journal-5341	69	68	)	)	PUNCT
american_scientific_journal-5341	69	69	.	.	PUNCT
american_scientific_journal-5341	70	1	3.5	3.5	NUM
american_scientific_journal-5341	70	2	.	.	PUNCT
american_scientific_journal-5341	71	1	thermochemistry	thermochemistry	NOUN
american_scientific_journal-5341	71	2	analysis	analysis	NOUN
american_scientific_journal-5341	71	3	table	table	NOUN
american_scientific_journal-5341	71	4	3	3	NUM
american_scientific_journal-5341	71	5	:	:	PUNCT
american_scientific_journal-5341	71	6	thermodynamic	thermodynamic	ADJ
american_scientific_journal-5341	71	7	parameters	parameter	NOUN
american_scientific_journal-5341	71	8	of	of	ADP
american_scientific_journal-5341	71	9	the	the	DET
american_scientific_journal-5341	71	10	title	title	NOUN
american_scientific_journal-5341	71	11	compound	compound	NOUN
american_scientific_journal-5341	71	12	calculated	calculate	VERB
american_scientific_journal-5341	71	13	using	use	VERB
american_scientific_journal-5341	71	14	b3lyp/6	b3lyp/6	PROPN
american_scientific_journal-5341	71	15	-	-	NOUN
american_scientific_journal-5341	71	16	311g(d	311g(d	NUM
american_scientific_journal-5341	71	17	,	,	PUNCT
american_scientific_journal-5341	71	18	p	p	NOUN
american_scientific_journal-5341	71	19	)	)	PUNCT
american_scientific_journal-5341	71	20	the	the	DET
american_scientific_journal-5341	71	21	computed	compute	VERB
american_scientific_journal-5341	71	22	vibration	vibration	NOUN
american_scientific_journal-5341	71	23	frequency	frequency	NOUN
american_scientific_journal-5341	71	24	of	of	ADP
american_scientific_journal-5341	71	25	the	the	DET
american_scientific_journal-5341	71	26	pyrazole	pyrazole	NOUN
american_scientific_journal-5341	71	27	carbaldehyde	carbaldehyde	NOUN
american_scientific_journal-5341	71	28	,	,	PUNCT
american_scientific_journal-5341	71	29	using	use	VERB
american_scientific_journal-5341	71	30	dft	dft	PROPN
american_scientific_journal-5341	71	31	-	-	PUNCT
american_scientific_journal-5341	71	32	b3lyp/6	b3lyp/6	NOUN
american_scientific_journal-5341	71	33	-	-	NOUN
american_scientific_journal-5341	71	34	311	311	NUM
american_scientific_journal-5341	71	35	g	g	NOUN
american_scientific_journal-5341	71	36	(	(	PUNCT
american_scientific_journal-5341	71	37	d.p	d.p	PROPN
american_scientific_journal-5341	71	38	)	)	PUNCT
american_scientific_journal-5341	71	39	method	method	NOUN
american_scientific_journal-5341	71	40	,	,	PUNCT
american_scientific_journal-5341	71	41	show	show	VERB
american_scientific_journal-5341	71	42	some	some	DET
american_scientific_journal-5341	71	43	thermodynamic	thermodynamic	ADJ
american_scientific_journal-5341	71	44	parameter	parameter	NOUN
american_scientific_journal-5341	71	45	values	value	NOUN
american_scientific_journal-5341	71	46	reflecting	reflect	VERB
american_scientific_journal-5341	71	47	molecular	molecular	ADJ
american_scientific_journal-5341	71	48	polarities	polarity	NOUN
american_scientific_journal-5341	71	49	and	and	CCONJ
american_scientific_journal-5341	71	50	the	the	DET
american_scientific_journal-5341	71	51	stability	stability	NOUN
american_scientific_journal-5341	71	52	of	of	ADP
american_scientific_journal-5341	71	53	the	the	DET
american_scientific_journal-5341	71	54	molecule.the	molecule.the	DET
american_scientific_journal-5341	71	55	target	target	NOUN
american_scientific_journal-5341	71	56	compound	compound	NOUN
american_scientific_journal-5341	71	57	is	be	AUX
american_scientific_journal-5341	71	58	asymmetric	asymmetric	ADJ
american_scientific_journal-5341	71	59	polar	polar	ADJ
american_scientific_journal-5341	71	60	molecule	molecule	NOUN
american_scientific_journal-5341	71	61	,	,	PUNCT
american_scientific_journal-5341	71	62	the	the	DET
american_scientific_journal-5341	71	63	computed	computed	ADJ
american_scientific_journal-5341	71	64	total	total	ADJ
american_scientific_journal-5341	71	65	energy	energy	NOUN
american_scientific_journal-5341	71	66	and	and	CCONJ
american_scientific_journal-5341	71	67	thermodynamic	thermodynamic	ADJ
american_scientific_journal-5341	71	68	parameters	parameter	NOUN
american_scientific_journal-5341	71	69	reflect	reflect	VERB
american_scientific_journal-5341	71	70	the	the	DET
american_scientific_journal-5341	71	71	stability	stability	NOUN
american_scientific_journal-5341	71	72	of	of	ADP
american_scientific_journal-5341	71	73	the	the	DET
american_scientific_journal-5341	71	74	molecule	molecule	NOUN
american_scientific_journal-5341	71	75	.	.	PUNCT
american_scientific_journal-5341	72	1	table	table	NOUN
american_scientific_journal-5341	72	2	3	3	NUM
american_scientific_journal-5341	72	3	shows	show	VERB
american_scientific_journal-5341	72	4	different	different	ADJ
american_scientific_journal-5341	72	5	thermodynamic	thermodynamic	ADJ
american_scientific_journal-5341	72	6	parameters	parameter	NOUN
american_scientific_journal-5341	72	7	of	of	ADP
american_scientific_journal-5341	72	8	target	target	NOUN
american_scientific_journal-5341	72	9	molecule	molecule	NOUN
american_scientific_journal-5341	72	10	and	and	CCONJ
american_scientific_journal-5341	72	11	the	the	DET
american_scientific_journal-5341	72	12	dipole	dipole	NOUN
american_scientific_journal-5341	72	13	moment	moment	NOUN
american_scientific_journal-5341	72	14	calculation	calculation	NOUN
american_scientific_journal-5341	72	15	value	value	NOUN
american_scientific_journal-5341	72	16	.	.	PUNCT
american_scientific_journal-5341	73	1	standard	standard	ADJ
american_scientific_journal-5341	73	2	enthalpies	enthalpy	NOUN
american_scientific_journal-5341	73	3	of	of	ADP
american_scientific_journal-5341	73	4	formation	formation	NOUN
american_scientific_journal-5341	73	5	are	be	AUX
american_scientific_journal-5341	73	6	evaluated	evaluate	VERB
american_scientific_journal-5341	73	7	using	use	VERB
american_scientific_journal-5341	73	8	calculated	calculate	VERB
american_scientific_journal-5341	73	9	energies	energy	NOUN
american_scientific_journal-5341	73	10	,	,	PUNCT
american_scientific_journal-5341	73	11	zero	zero	NUM
american_scientific_journal-5341	73	12	point	point	NOUN
american_scientific_journal-5341	73	13	vibration	vibration	NOUN
american_scientific_journal-5341	73	14	energy	energy	NOUN
american_scientific_journal-5341	73	15	(	(	PUNCT
american_scientific_journal-5341	73	16	zpve	zpve	NOUN
american_scientific_journal-5341	73	17	)	)	PUNCT
american_scientific_journal-5341	73	18	,	,	PUNCT
american_scientific_journal-5341	73	19	plus	plus	CCONJ
american_scientific_journal-5341	73	20	thermal	thermal	ADJ
american_scientific_journal-5341	73	21	contributions	contribution	NOUN
american_scientific_journal-5341	73	22	(	(	PUNCT
american_scientific_journal-5341	73	23	to	to	PART
american_scientific_journal-5341	73	24	298k	298k	VERB
american_scientific_journal-5341	73	25	)	)	PUNCT
american_scientific_journal-5341	73	26	the	the	DET
american_scientific_journal-5341	73	27	calculated	calculate	VERB
american_scientific_journal-5341	73	28	total	total	ADJ
american_scientific_journal-5341	73	29	energy	energy	NOUN
american_scientific_journal-5341	73	30	is	be	AUX
american_scientific_journal-5341	73	31	corrected	correct	VERB
american_scientific_journal-5341	73	32	by	by	ADP
american_scientific_journal-5341	73	33	the	the	DET
american_scientific_journal-5341	73	34	zpve	zpve	NOUN
american_scientific_journal-5341	73	35	.	.	PUNCT
american_scientific_journal-5341	74	1	3.6	3.6	NUM
american_scientific_journal-5341	74	2	.	.	PUNCT
american_scientific_journal-5341	75	1	vibrational	vibrational	ADJ
american_scientific_journal-5341	75	2	analysis	analysis	NOUN
american_scientific_journal-5341	75	3	computed	compute	VERB
american_scientific_journal-5341	75	4	harmonic	harmonic	ADJ
american_scientific_journal-5341	75	5	frequencies	frequency	NOUN
american_scientific_journal-5341	75	6	of	of	ADP
american_scientific_journal-5341	75	7	pyrazole	pyrazole	NOUN
american_scientific_journal-5341	75	8	carbaldehyde	carbaldehyde	NOUN
american_scientific_journal-5341	75	9	,	,	PUNCT
american_scientific_journal-5341	75	10	shown	show	VERB
american_scientific_journal-5341	75	11	in	in	ADP
american_scientific_journal-5341	75	12	figure	figure	NOUN
american_scientific_journal-5341	75	13	5	5	NUM
american_scientific_journal-5341	75	14	.	.	PUNCT
american_scientific_journal-5341	75	15	table	table	NOUN
american_scientific_journal-5341	75	16	4	4	NUM
american_scientific_journal-5341	75	17	contains	contain	VERB
american_scientific_journal-5341	75	18	experimental	experimental	ADJ
american_scientific_journal-5341	75	19	and	and	CCONJ
american_scientific_journal-5341	75	20	scaled	scale	VERB
american_scientific_journal-5341	75	21	calculated	calculate	VERB
american_scientific_journal-5341	75	22	wave	wave	NOUN
american_scientific_journal-5341	75	23	numbers	number	NOUN
american_scientific_journal-5341	75	24	,	,	PUNCT
american_scientific_journal-5341	75	25	correlation	correlation	NOUN
american_scientific_journal-5341	75	26	between	between	ADP
american_scientific_journal-5341	75	27	the	the	DET
american_scientific_journal-5341	75	28	experimental	experimental	ADJ
american_scientific_journal-5341	75	29	and	and	CCONJ
american_scientific_journal-5341	75	30	parameters	parameter	NOUN
american_scientific_journal-5341	75	31	b3lyp/6	b3lyp/6	PROPN
american_scientific_journal-5341	75	32	-	-	PROPN
american_scientific_journal-5341	75	33	311	311	NUM
american_scientific_journal-5341	75	34	g(d	g(d	PROPN
american_scientific_journal-5341	75	35	,	,	PUNCT
american_scientific_journal-5341	75	36	p	p	NOUN
american_scientific_journal-5341	75	37	)	)	PUNCT
american_scientific_journal-5341	75	38	rotational	rotational	ADJ
american_scientific_journal-5341	75	39	temperatures	temperature	NOUN
american_scientific_journal-5341	75	40	(	(	PUNCT
american_scientific_journal-5341	75	41	kelvin	kelvin	PROPN
american_scientific_journal-5341	75	42	)	)	PUNCT
american_scientific_journal-5341	75	43	0.02741	0.02741	NUM
american_scientific_journal-5341	75	44	0.00632	0.00632	NUM
american_scientific_journal-5341	75	45	0.00513	0.00513	NUM
american_scientific_journal-5341	75	46	rotational	rotational	ADJ
american_scientific_journal-5341	75	47	constants	constant	NOUN
american_scientific_journal-5341	75	48	(	(	PUNCT
american_scientific_journal-5341	75	49	ghz	ghz	NOUN
american_scientific_journal-5341	75	50	)	)	PUNCT
american_scientific_journal-5341	75	51	0.57121	0.57121	NUM
american_scientific_journal-5341	76	1	0.13162	0.13162	NUM
american_scientific_journal-5341	76	2	0.10697	0.10697	NUM
american_scientific_journal-5341	76	3	x	x	SYM
american_scientific_journal-5341	76	4	y	y	PROPN
american_scientific_journal-5341	76	5	z	z	NOUN
american_scientific_journal-5341	76	6	zero	zero	NUM
american_scientific_journal-5341	76	7	-	-	PUNCT
american_scientific_journal-5341	76	8	point	point	NOUN
american_scientific_journal-5341	76	9	vibrational	vibrational	ADJ
american_scientific_journal-5341	76	10	energy	energy	NOUN
american_scientific_journal-5341	76	11	(	(	PUNCT
american_scientific_journal-5341	76	12	kcal	kcal	NOUN
american_scientific_journal-5341	76	13	/	/	SYM
american_scientific_journal-5341	76	14	mol	mol	NOUN
american_scientific_journal-5341	76	15	)	)	PUNCT
american_scientific_journal-5341	76	16	160.38587	160.38587	NUM
american_scientific_journal-5341	76	17	total	total	ADJ
american_scientific_journal-5341	76	18	energy	energy	NOUN
american_scientific_journal-5341	76	19	(	(	PUNCT
american_scientific_journal-5341	76	20	hartree	hartree	ADJ
american_scientific_journal-5341	76	21	)	)	PUNCT
american_scientific_journal-5341	76	22	-986.573	-986.573	NOUN
american_scientific_journal-5341	76	23	dipole	dipole	NOUN
american_scientific_journal-5341	76	24	moment	moment	NOUN
american_scientific_journal-5341	76	25	5.173	5.173	NUM
american_scientific_journal-5341	76	26	electronic	electronic	ADJ
american_scientific_journal-5341	76	27	and	and	CCONJ
american_scientific_journal-5341	76	28	zero	zero	NUM
american_scientific_journal-5341	76	29	-	-	PUNCT
american_scientific_journal-5341	76	30	point	point	NOUN
american_scientific_journal-5341	76	31	energies	energy	NOUN
american_scientific_journal-5341	76	32	(	(	PUNCT
american_scientific_journal-5341	76	33	hartree	hartree	ADJ
american_scientific_journal-5341	76	34	)	)	PUNCT
american_scientific_journal-5341	76	35	-986.317637	-986.317637	ADJ
american_scientific_journal-5341	76	36	electronic	electronic	ADJ
american_scientific_journal-5341	76	37	and	and	CCONJ
american_scientific_journal-5341	76	38	thermal	thermal	ADJ
american_scientific_journal-5341	76	39	energies	energy	NOUN
american_scientific_journal-5341	76	40	(	(	PUNCT
american_scientific_journal-5341	76	41	hartree	hartree	NOUN
american_scientific_journal-5341	76	42	)	)	PUNCT
american_scientific_journal-5341	76	43	-986.299956	-986.299956	PROPN
american_scientific_journal-5341	76	44	electronic	electronic	ADJ
american_scientific_journal-5341	76	45	and	and	CCONJ
american_scientific_journal-5341	76	46	thermal	thermal	ADJ
american_scientific_journal-5341	76	47	enthalpies	enthalpy	NOUN
american_scientific_journal-5341	76	48	(	(	PUNCT
american_scientific_journal-5341	76	49	hartree	hartree	NOUN
american_scientific_journal-5341	76	50	)	)	PUNCT
american_scientific_journal-5341	76	51	-986.299012	-986.299012	PROPN
american_scientific_journal-5341	76	52	american	american	ADJ
american_scientific_journal-5341	76	53	scientific	scientific	ADJ
american_scientific_journal-5341	76	54	research	research	NOUN
american_scientific_journal-5341	76	55	journal	journal	NOUN
american_scientific_journal-5341	76	56	for	for	ADP
american_scientific_journal-5341	76	57	engineering	engineering	NOUN
american_scientific_journal-5341	76	58	,	,	PUNCT
american_scientific_journal-5341	76	59	technology	technology	NOUN
american_scientific_journal-5341	76	60	,	,	PUNCT
american_scientific_journal-5341	76	61	and	and	CCONJ
american_scientific_journal-5341	76	62	sciences	science	NOUN
american_scientific_journal-5341	76	63	(	(	PUNCT
american_scientific_journal-5341	76	64	asrjets	asrjet	NOUN
american_scientific_journal-5341	76	65	)	)	PUNCT
american_scientific_journal-5341	76	66	(	(	PUNCT
american_scientific_journal-5341	76	67	2019	2019	NUM
american_scientific_journal-5341	76	68	)	)	PUNCT
american_scientific_journal-5341	76	69	volume	volume	NOUN
american_scientific_journal-5341	76	70	61	61	NUM
american_scientific_journal-5341	76	71	,	,	PUNCT
american_scientific_journal-5341	76	72	no	no	DET
american_scientific_journal-5341	76	73	1	1	NUM
american_scientific_journal-5341	76	74	,	,	PUNCT
american_scientific_journal-5341	76	75	pp	pp	ADV
american_scientific_journal-5341	76	76	75	75	NUM
american_scientific_journal-5341	76	77	-	-	SYM
american_scientific_journal-5341	76	78	91	91	NUM
american_scientific_journal-5341	76	79	82	82	NUM
american_scientific_journal-5341	76	80	theoretical	theoretical	ADJ
american_scientific_journal-5341	76	81	wave	wave	NOUN
american_scientific_journal-5341	76	82	numbers	number	NOUN
american_scientific_journal-5341	76	83	at	at	ADP
american_scientific_journal-5341	76	84	b3lyp/6311	b3lyp/6311	NOUN
american_scientific_journal-5341	76	85	g	g	NOUN
american_scientific_journal-5341	76	86	basis	basis	NOUN
american_scientific_journal-5341	76	87	set	set	NOUN
american_scientific_journal-5341	76	88	,	,	PUNCT
american_scientific_journal-5341	76	89	showed	show	VERB
american_scientific_journal-5341	76	90	a	a	DET
american_scientific_journal-5341	76	91	good	good	ADJ
american_scientific_journal-5341	76	92	linear	linear	NOUN
american_scientific_journal-5341	76	93	correlation	correlation	NOUN
american_scientific_journal-5341	76	94	(	(	PUNCT
american_scientific_journal-5341	76	95	figure	figure	NOUN
american_scientific_journal-5341	76	96	6	6	NUM
american_scientific_journal-5341	76	97	)	)	PUNCT
american_scientific_journal-5341	76	98	with	with	ADP
american_scientific_journal-5341	76	99	a	a	DET
american_scientific_journal-5341	76	100	regression	regression	NOUN
american_scientific_journal-5341	76	101	coefficient	coefficient	NOUN
american_scientific_journal-5341	76	102	of	of	ADP
american_scientific_journal-5341	76	103	r²	r²	NOUN
american_scientific_journal-5341	76	104	=	=	SYM
american_scientific_journal-5341	76	105	0.9979	0.9979	NUM
american_scientific_journal-5341	76	106	.	.	PUNCT
american_scientific_journal-5341	76	107	figure	figure	NOUN
american_scientific_journal-5341	76	108	5	5	NUM
american_scientific_journal-5341	76	109	:	:	PUNCT
american_scientific_journal-5341	76	110	computed	compute	VERB
american_scientific_journal-5341	76	111	harmonic	harmonic	ADJ
american_scientific_journal-5341	76	112	frequencies	frequency	NOUN
american_scientific_journal-5341	76	113	of	of	ADP
american_scientific_journal-5341	76	114	title	title	NOUN
american_scientific_journal-5341	76	115	compound	compound	NOUN
american_scientific_journal-5341	76	116	.	.	PUNCT
american_scientific_journal-5341	77	1	table	table	NOUN
american_scientific_journal-5341	77	2	4	4	NUM
american_scientific_journal-5341	77	3	:	:	PUNCT
american_scientific_journal-5341	77	4	experimental	experimental	ADJ
american_scientific_journal-5341	77	5	ft	ft	PROPN
american_scientific_journal-5341	77	6	-	-	PUNCT
american_scientific_journal-5341	77	7	ir	ir	PROPN
american_scientific_journal-5341	77	8	and	and	CCONJ
american_scientific_journal-5341	77	9	calculated	calculate	VERB
american_scientific_journal-5341	77	10	vibrational	vibrational	ADJ
american_scientific_journal-5341	77	11	frequencies	frequency	NOUN
american_scientific_journal-5341	77	12	in	in	ADP
american_scientific_journal-5341	77	13	cm	cm	NOUN
american_scientific_journal-5341	77	14	-1	-1	PUNCT
american_scientific_journal-5341	77	15	for	for	ADP
american_scientific_journal-5341	77	16	the	the	DET
american_scientific_journal-5341	77	17	title	title	NOUN
american_scientific_journal-5341	77	18	compound	compound	NOUN
american_scientific_journal-5341	77	19	experimental	experimental	ADJ
american_scientific_journal-5341	77	20	calculated	calculate	VERB
american_scientific_journal-5341	77	21	vibrational	vibrational	ADJ
american_scientific_journal-5341	77	22	assignment	assignment	NOUN
american_scientific_journal-5341	77	23	3250	3250	NUM
american_scientific_journal-5341	77	24	3335	3335	NUM
american_scientific_journal-5341	77	25	-n19	-n19	NOUN
american_scientific_journal-5341	77	26	-	-	PUNCT
american_scientific_journal-5341	77	27	h31	h31	NOUN
american_scientific_journal-5341	77	28	stretching	stretch	VERB
american_scientific_journal-5341	77	29	3210	3210	NUM
american_scientific_journal-5341	77	30	3217	3217	NUM
american_scientific_journal-5341	77	31	symmetric	symmetric	ADJ
american_scientific_journal-5341	77	32	c	c	NOUN
american_scientific_journal-5341	77	33	-	-	PUNCT
american_scientific_journal-5341	77	34	h	h	NOUN
american_scientific_journal-5341	77	35	stretching	stretch	VERB
american_scientific_journal-5341	77	36	aromatic	aromatic	ADJ
american_scientific_journal-5341	77	37	2825	2825	NUM
american_scientific_journal-5341	77	38	2924	2924	NUM
american_scientific_journal-5341	77	39	symmetric	symmetric	ADJ
american_scientific_journal-5341	77	40	c32	c32	NOUN
american_scientific_journal-5341	77	41	-	-	PUNCT
american_scientific_journal-5341	77	42	h34	h34	NOUN
american_scientific_journal-5341	77	43	1760	1760	NUM
american_scientific_journal-5341	77	44	1789	1789	NUM
american_scientific_journal-5341	77	45	symmetric	symmetric	ADJ
american_scientific_journal-5341	77	46	c32	c32	NOUN
american_scientific_journal-5341	77	47	=	=	SYM
american_scientific_journal-5341	77	48	o33	o33	NOUN
american_scientific_journal-5341	77	49	stretching	stretch	VERB
american_scientific_journal-5341	77	50	1638	1638	NUM
american_scientific_journal-5341	77	51	1713	1713	NUM
american_scientific_journal-5341	77	52	symmetric	symmetric	PROPN
american_scientific_journal-5341	77	53	c3	c3	PROPN
american_scientific_journal-5341	77	54	=	=	NOUN
american_scientific_journal-5341	77	55	o17	o17	NOUN
american_scientific_journal-5341	77	56	stretching	stretch	VERB
american_scientific_journal-5341	77	57	1548	1548	NUM
american_scientific_journal-5341	77	58	1553	1553	NUM
american_scientific_journal-5341	77	59	c2	c2	PROPN
american_scientific_journal-5341	77	60	=	=	SYM
american_scientific_journal-5341	77	61	n18	n18	PROPN
american_scientific_journal-5341	77	62	stretching	stretch	VERB
american_scientific_journal-5341	77	63	1536	1536	NUM
american_scientific_journal-5341	77	64	1540	1540	NUM
american_scientific_journal-5341	77	65	c1	c1	PROPN
american_scientific_journal-5341	77	66	=	=	PROPN
american_scientific_journal-5341	77	67	n4	n4	PROPN
american_scientific_journal-5341	77	68	stretching	stretch	VERB
american_scientific_journal-5341	77	69	american	american	ADJ
american_scientific_journal-5341	77	70	scientific	scientific	ADJ
american_scientific_journal-5341	77	71	research	research	NOUN
american_scientific_journal-5341	77	72	journal	journal	NOUN
american_scientific_journal-5341	77	73	for	for	ADP
american_scientific_journal-5341	77	74	engineering	engineering	NOUN
american_scientific_journal-5341	77	75	,	,	PUNCT
american_scientific_journal-5341	77	76	technology	technology	NOUN
american_scientific_journal-5341	77	77	,	,	PUNCT
american_scientific_journal-5341	77	78	and	and	CCONJ
american_scientific_journal-5341	77	79	sciences	science	NOUN
american_scientific_journal-5341	77	80	(	(	PUNCT
american_scientific_journal-5341	77	81	asrjets	asrjet	NOUN
american_scientific_journal-5341	77	82	)	)	PUNCT
american_scientific_journal-5341	77	83	(	(	PUNCT
american_scientific_journal-5341	77	84	2019	2019	NUM
american_scientific_journal-5341	77	85	)	)	PUNCT
american_scientific_journal-5341	77	86	volume	volume	NOUN
american_scientific_journal-5341	77	87	61	61	NUM
american_scientific_journal-5341	77	88	,	,	PUNCT
american_scientific_journal-5341	77	89	no	no	DET
american_scientific_journal-5341	77	90	1	1	NUM
american_scientific_journal-5341	77	91	,	,	PUNCT
american_scientific_journal-5341	77	92	pp	pp	ADV
american_scientific_journal-5341	77	93	75	75	NUM
american_scientific_journal-5341	77	94	-	-	SYM
american_scientific_journal-5341	77	95	91	91	NUM
american_scientific_journal-5341	77	96	83	83	NUM
american_scientific_journal-5341	77	97	figure	figure	NOUN
american_scientific_journal-5341	77	98	6	6	NUM
american_scientific_journal-5341	77	99	:	:	PUNCT
american_scientific_journal-5341	77	100	correlation	correlation	NOUN
american_scientific_journal-5341	77	101	graph	graph	NOUN
american_scientific_journal-5341	77	102	between	between	ADP
american_scientific_journal-5341	77	103	experimental	experimental	ADJ
american_scientific_journal-5341	77	104	and	and	CCONJ
american_scientific_journal-5341	77	105	calculated	calculated	ADJ
american_scientific_journal-5341	77	106	wave	wave	NOUN
american_scientific_journal-5341	77	107	numbers	number	NOUN
american_scientific_journal-5341	77	108	.	.	PUNCT
american_scientific_journal-5341	78	1	3.7	3.7	NUM
american_scientific_journal-5341	78	2	.	.	PUNCT
american_scientific_journal-5341	79	1	nuclear	nuclear	ADJ
american_scientific_journal-5341	79	2	magnetic	magnetic	ADJ
american_scientific_journal-5341	79	3	resonance	resonance	NOUN
american_scientific_journal-5341	79	4	studies	study	VERB
american_scientific_journal-5341	79	5	the	the	DET
american_scientific_journal-5341	79	6	optimized	optimize	VERB
american_scientific_journal-5341	79	7	file	file	NOUN
american_scientific_journal-5341	79	8	of	of	ADP
american_scientific_journal-5341	79	9	the	the	DET
american_scientific_journal-5341	79	10	studied	study	VERB
american_scientific_journal-5341	79	11	compound	compound	NOUN
american_scientific_journal-5341	79	12	was	be	AUX
american_scientific_journal-5341	79	13	computed	compute	VERB
american_scientific_journal-5341	79	14	as	as	ADP
american_scientific_journal-5341	79	15	nmr	nmr	NOUN
american_scientific_journal-5341	79	16	job	job	NOUN
american_scientific_journal-5341	79	17	at	at	ADP
american_scientific_journal-5341	79	18	the	the	DET
american_scientific_journal-5341	79	19	same	same	ADJ
american_scientific_journal-5341	79	20	level	level	NOUN
american_scientific_journal-5341	79	21	of	of	ADP
american_scientific_journal-5341	79	22	theory	theory	NOUN
american_scientific_journal-5341	79	23	using	use	VERB
american_scientific_journal-5341	79	24	the	the	DET
american_scientific_journal-5341	79	25	gauge	gauge	NOUN
american_scientific_journal-5341	79	26	-	-	PUNCT
american_scientific_journal-5341	79	27	including	include	VERB
american_scientific_journal-5341	79	28	atomic	atomic	ADJ
american_scientific_journal-5341	79	29	orbital	orbital	NOUN
american_scientific_journal-5341	79	30	(	(	PUNCT
american_scientific_journal-5341	79	31	giao/	giao/	NUM
american_scientific_journal-5341	79	32	cpcm	cpcm	NOUN
american_scientific_journal-5341	79	33	)	)	PUNCT
american_scientific_journal-5341	79	34	method	method	NOUN
american_scientific_journal-5341	79	35	,	,	PUNCT
american_scientific_journal-5341	79	36	and	and	CCONJ
american_scientific_journal-5341	79	37	dmso	dmso	NOUN
american_scientific_journal-5341	79	38	as	as	ADV
american_scientific_journal-5341	79	39	solvent	solvent	NOUN
american_scientific_journal-5341	79	40	as	as	SCONJ
american_scientific_journal-5341	79	41	shown	show	VERB
american_scientific_journal-5341	79	42	in	in	ADP
american_scientific_journal-5341	79	43	the	the	DET
american_scientific_journal-5341	79	44	screenshot	screenshot	NOUN
american_scientific_journal-5341	79	45	of	of	ADP
american_scientific_journal-5341	79	46	the	the	DET
american_scientific_journal-5341	79	47	out	out	NOUN
american_scientific_journal-5341	79	48	put	put	NOUN
american_scientific_journal-5341	79	49	wordpad	wordpad	NOUN
american_scientific_journal-5341	79	50	file	file	NOUN
american_scientific_journal-5341	79	51	.	.	PUNCT
american_scientific_journal-5341	80	1	figure	figure	VERB
american_scientific_journal-5341	80	2	7	7	NUM
american_scientific_journal-5341	80	3	figure	figure	NOUN
american_scientific_journal-5341	80	4	7	7	NUM
american_scientific_journal-5341	80	5	:	:	PUNCT
american_scientific_journal-5341	80	6	screenshot	screenshot	NOUN
american_scientific_journal-5341	80	7	of	of	ADP
american_scientific_journal-5341	80	8	the	the	DET
american_scientific_journal-5341	80	9	out	out	NOUN
american_scientific_journal-5341	80	10	put	put	NOUN
american_scientific_journal-5341	80	11	wordpad	wordpad	NOUN
american_scientific_journal-5341	80	12	file	file	NOUN
american_scientific_journal-5341	80	13	from	from	ADP
american_scientific_journal-5341	80	14	the	the	DET
american_scientific_journal-5341	80	15	output	output	NOUN
american_scientific_journal-5341	80	16	file	file	NOUN
american_scientific_journal-5341	80	17	of	of	ADP
american_scientific_journal-5341	80	18	the	the	DET
american_scientific_journal-5341	80	19	nmr	nmr	NOUN
american_scientific_journal-5341	80	20	job	job	NOUN
american_scientific_journal-5341	80	21	,	,	PUNCT
american_scientific_journal-5341	80	22	the	the	DET
american_scientific_journal-5341	80	23	results	result	NOUN
american_scientific_journal-5341	80	24	showed	show	VERB
american_scientific_journal-5341	80	25	that	that	SCONJ
american_scientific_journal-5341	80	26	the	the	DET
american_scientific_journal-5341	80	27	calculated	calculated	ADJ
american_scientific_journal-5341	80	28	chemical	chemical	NOUN
american_scientific_journal-5341	80	29	shift	shift	NOUN
american_scientific_journal-5341	80	30	for	for	ADP
american_scientific_journal-5341	80	31	the	the	DET
american_scientific_journal-5341	80	32	studied	study	VERB
american_scientific_journal-5341	80	33	compound	compound	NOUN
american_scientific_journal-5341	80	34	(	(	PUNCT
american_scientific_journal-5341	80	35	figure	figure	NOUN
american_scientific_journal-5341	80	36	8	8	NUM
american_scientific_journal-5341	80	37	&	&	CCONJ
american_scientific_journal-5341	80	38	9	9	NUM
american_scientific_journal-5341	80	39	)	)	PUNCT
american_scientific_journal-5341	80	40	for	for	ADP
american_scientific_journal-5341	80	41	both	both	DET
american_scientific_journal-5341	80	42	1	1	NUM
american_scientific_journal-5341	80	43	h	h	NOUN
american_scientific_journal-5341	80	44	-	-	PUNCT
american_scientific_journal-5341	80	45	nmr	nmr	NOUN
american_scientific_journal-5341	80	46	and	and	CCONJ
american_scientific_journal-5341	80	47	13	13	NUM
american_scientific_journal-5341	80	48	c	c	NOUN
american_scientific_journal-5341	80	49	-	-	PUNCT
american_scientific_journal-5341	80	50	nmr	nmr	NOUN
american_scientific_journal-5341	80	51	were	be	AUX
american_scientific_journal-5341	80	52	in	in	ADP
american_scientific_journal-5341	80	53	good	good	ADJ
american_scientific_journal-5341	80	54	correlation	correlation	NOUN
american_scientific_journal-5341	80	55	with	with	ADP
american_scientific_journal-5341	80	56	the	the	DET
american_scientific_journal-5341	80	57	experimental	experimental	ADJ
american_scientific_journal-5341	80	58	one	one	NUM
american_scientific_journal-5341	80	59	(	(	PUNCT
american_scientific_journal-5341	80	60	table	table	NOUN
american_scientific_journal-5341	80	61	5	5	NUM
american_scientific_journal-5341	80	62	)	)	PUNCT
american_scientific_journal-5341	80	63	with	with	ADP
american_scientific_journal-5341	80	64	a	a	DET
american_scientific_journal-5341	80	65	regression	regression	NOUN
american_scientific_journal-5341	80	66	coefficient	coefficient	NOUN
american_scientific_journal-5341	80	67	of	of	ADP
american_scientific_journal-5341	80	68	r²	r²	NOUN
american_scientific_journal-5341	80	69	=	=	SYM
american_scientific_journal-5341	80	70	0.9785	0.9785	NUM
american_scientific_journal-5341	80	71	&	&	CCONJ
american_scientific_journal-5341	80	72	0.9549	0.9549	NUM
american_scientific_journal-5341	80	73	for	for	ADP
american_scientific_journal-5341	80	74	1	1	NUM
american_scientific_journal-5341	80	75	h	h	NOUN
american_scientific_journal-5341	80	76	-	-	PUNCT
american_scientific_journal-5341	80	77	nmr	nmr	NOUN
american_scientific_journal-5341	80	78	and	and	CCONJ
american_scientific_journal-5341	80	79	13	13	NUM
american_scientific_journal-5341	80	80	c	c	NOUN
american_scientific_journal-5341	80	81	-	-	NOUN
american_scientific_journal-5341	80	82	nmr	nmr	NOUN
american_scientific_journal-5341	80	83	respectively	respectively	ADV
american_scientific_journal-5341	80	84	.	.	PUNCT
american_scientific_journal-5341	81	1	(	(	PUNCT
american_scientific_journal-5341	81	2	figure	figure	NOUN
american_scientific_journal-5341	81	3	10	10	NUM
american_scientific_journal-5341	81	4	&	&	CCONJ
american_scientific_journal-5341	81	5	11	11	NUM
american_scientific_journal-5341	81	6	)	)	PUNCT
american_scientific_journal-5341	81	7	.	.	PUNCT
american_scientific_journal-5341	82	1	y	y	PROPN
american_scientific_journal-5341	82	2	=	=	SYM
american_scientific_journal-5341	82	3	1.021x	1.021x	PROPN
american_scientific_journal-5341	82	4	3.973	3.973	NUM
american_scientific_journal-5341	82	5	r²	r²	NOUN
american_scientific_journal-5341	82	6	=	=	SYM
american_scientific_journal-5341	82	7	0.9979	0.9979	NUM
american_scientific_journal-5341	82	8	0	0	NUM
american_scientific_journal-5341	82	9	500	500	NUM
american_scientific_journal-5341	82	10	1000	1000	NUM
american_scientific_journal-5341	82	11	1500	1500	NUM
american_scientific_journal-5341	82	12	2000	2000	NUM
american_scientific_journal-5341	82	13	2500	2500	NUM
american_scientific_journal-5341	82	14	3000	3000	NUM
american_scientific_journal-5341	82	15	3500	3500	NUM
american_scientific_journal-5341	82	16	4000	4000	NUM
american_scientific_journal-5341	82	17	0	0	NUM
american_scientific_journal-5341	82	18	500	500	NUM
american_scientific_journal-5341	82	19	1000	1000	NUM
american_scientific_journal-5341	82	20	1500	1500	NUM
american_scientific_journal-5341	82	21	2000	2000	NUM
american_scientific_journal-5341	82	22	2500	2500	NUM
american_scientific_journal-5341	82	23	3000	3000	NUM
american_scientific_journal-5341	82	24	3500	3500	NUM
american_scientific_journal-5341	82	25	c	c	NOUN
american_scientific_journal-5341	82	26	al	al	PROPN
american_scientific_journal-5341	82	27	cu	cu	PROPN
american_scientific_journal-5341	82	28	la	la	PROPN
american_scientific_journal-5341	82	29	te	te	PROPN
american_scientific_journal-5341	83	1	d	d	AUX
american_scientific_journal-5341	83	2	w	w	PROPN
american_scientific_journal-5341	83	3	av	av	PROPN
american_scientific_journal-5341	83	4	e	e	PROPN
american_scientific_journal-5341	83	5	n	n	CCONJ
american_scientific_journal-5341	83	6	u	u	PROPN
american_scientific_journal-5341	83	7	m	m	PROPN
american_scientific_journal-5341	83	8	b	b	PROPN
american_scientific_journal-5341	83	9	e	e	NOUN
american_scientific_journal-5341	83	10	r	r	NOUN
american_scientific_journal-5341	83	11	cm	cm	NOUN
american_scientific_journal-5341	83	12	-1	-1	PUNCT
american_scientific_journal-5341	83	13	experimental	experimental	ADJ
american_scientific_journal-5341	83	14	wave	wave	NOUN
american_scientific_journal-5341	83	15	number	number	NOUN
american_scientific_journal-5341	83	16	cm-1	cm-1	VERB
american_scientific_journal-5341	83	17	american	american	PROPN
american_scientific_journal-5341	83	18	scientific	scientific	ADJ
american_scientific_journal-5341	83	19	research	research	NOUN
american_scientific_journal-5341	83	20	journal	journal	NOUN
american_scientific_journal-5341	83	21	for	for	ADP
american_scientific_journal-5341	83	22	engineering	engineering	NOUN
american_scientific_journal-5341	83	23	,	,	PUNCT
american_scientific_journal-5341	83	24	technology	technology	NOUN
american_scientific_journal-5341	83	25	,	,	PUNCT
american_scientific_journal-5341	83	26	and	and	CCONJ
american_scientific_journal-5341	83	27	sciences	science	NOUN
american_scientific_journal-5341	83	28	(	(	PUNCT
american_scientific_journal-5341	83	29	asrjets	asrjet	NOUN
american_scientific_journal-5341	83	30	)	)	PUNCT
american_scientific_journal-5341	83	31	(	(	PUNCT
american_scientific_journal-5341	83	32	2019	2019	NUM
american_scientific_journal-5341	83	33	)	)	PUNCT
american_scientific_journal-5341	83	34	volume	volume	NOUN
american_scientific_journal-5341	83	35	61	61	NUM
american_scientific_journal-5341	83	36	,	,	PUNCT
american_scientific_journal-5341	83	37	no	no	DET
american_scientific_journal-5341	83	38	1	1	NUM
american_scientific_journal-5341	83	39	,	,	PUNCT
american_scientific_journal-5341	83	40	pp	pp	ADV
american_scientific_journal-5341	83	41	75	75	NUM
american_scientific_journal-5341	83	42	-	-	SYM
american_scientific_journal-5341	83	43	91	91	NUM
american_scientific_journal-5341	83	44	84	84	NUM
american_scientific_journal-5341	83	45	figure	figure	NOUN
american_scientific_journal-5341	83	46	8	8	NUM
american_scientific_journal-5341	83	47	:	:	PUNCT
american_scientific_journal-5341	83	48	optimized	optimize	VERB
american_scientific_journal-5341	83	49	structure	structure	NOUN
american_scientific_journal-5341	83	50	of	of	ADP
american_scientific_journal-5341	83	51	the	the	DET
american_scientific_journal-5341	83	52	title	title	NOUN
american_scientific_journal-5341	83	53	compound	compound	NOUN
american_scientific_journal-5341	83	54	with	with	ADP
american_scientific_journal-5341	83	55	calculated	calculate	VERB
american_scientific_journal-5341	83	56	1	1	NUM
american_scientific_journal-5341	83	57	h	h	ADJ
american_scientific_journal-5341	83	58	-	-	PUNCT
american_scientific_journal-5341	83	59	nmr	nmr	NOUN
american_scientific_journal-5341	83	60	chemical	chemical	NOUN
american_scientific_journal-5341	83	61	shift	shift	NOUN
american_scientific_journal-5341	83	62	(	(	PUNCT
american_scientific_journal-5341	83	63	ppm	ppm	NOUN
american_scientific_journal-5341	83	64	)	)	PUNCT
american_scientific_journal-5341	83	65	.	.	PUNCT
american_scientific_journal-5341	84	1	figure	figure	NOUN
american_scientific_journal-5341	84	2	9	9	NUM
american_scientific_journal-5341	84	3	:	:	PUNCT
american_scientific_journal-5341	84	4	optimized	optimize	VERB
american_scientific_journal-5341	84	5	structure	structure	NOUN
american_scientific_journal-5341	84	6	of	of	ADP
american_scientific_journal-5341	84	7	the	the	DET
american_scientific_journal-5341	84	8	title	title	NOUN
american_scientific_journal-5341	84	9	compound	compound	NOUN
american_scientific_journal-5341	84	10	with	with	ADP
american_scientific_journal-5341	84	11	13	13	NUM
american_scientific_journal-5341	84	12	c	c	NOUN
american_scientific_journal-5341	84	13	-	-	PUNCT
american_scientific_journal-5341	84	14	nmr	nmr	NOUN
american_scientific_journal-5341	84	15	chemical	chemical	NOUN
american_scientific_journal-5341	84	16	shift	shift	NOUN
american_scientific_journal-5341	84	17	(	(	PUNCT
american_scientific_journal-5341	84	18	ppm	ppm	NOUN
american_scientific_journal-5341	84	19	)	)	PUNCT
american_scientific_journal-5341	84	20	.	.	PUNCT
american_scientific_journal-5341	85	1	american	american	PROPN
american_scientific_journal-5341	85	2	scientific	scientific	ADJ
american_scientific_journal-5341	85	3	research	research	PROPN
american_scientific_journal-5341	85	4	journal	journal	NOUN
american_scientific_journal-5341	85	5	for	for	ADP
american_scientific_journal-5341	85	6	engineering	engineering	NOUN
american_scientific_journal-5341	85	7	,	,	PUNCT
american_scientific_journal-5341	85	8	technology	technology	NOUN
american_scientific_journal-5341	85	9	,	,	PUNCT
american_scientific_journal-5341	85	10	and	and	CCONJ
american_scientific_journal-5341	85	11	sciences	science	NOUN
american_scientific_journal-5341	85	12	(	(	PUNCT
american_scientific_journal-5341	85	13	asrjets	asrjet	NOUN
american_scientific_journal-5341	85	14	)	)	PUNCT
american_scientific_journal-5341	85	15	(	(	PUNCT
american_scientific_journal-5341	85	16	2019	2019	NUM
american_scientific_journal-5341	85	17	)	)	PUNCT
american_scientific_journal-5341	85	18	volume	volume	NOUN
american_scientific_journal-5341	85	19	61	61	NUM
american_scientific_journal-5341	85	20	,	,	PUNCT
american_scientific_journal-5341	85	21	no	no	DET
american_scientific_journal-5341	85	22	1	1	NUM
american_scientific_journal-5341	85	23	,	,	PUNCT
american_scientific_journal-5341	85	24	pp	pp	ADV
american_scientific_journal-5341	85	25	75	75	NUM
american_scientific_journal-5341	85	26	-	-	SYM
american_scientific_journal-5341	85	27	91	91	NUM
american_scientific_journal-5341	85	28	85	85	NUM
american_scientific_journal-5341	85	29	table	table	NOUN
american_scientific_journal-5341	85	30	5	5	NUM
american_scientific_journal-5341	85	31	:	:	PUNCT
american_scientific_journal-5341	85	32	experimental	experimental	ADJ
american_scientific_journal-5341	85	33	and	and	CCONJ
american_scientific_journal-5341	85	34	calculated	calculate	VERB
american_scientific_journal-5341	85	35	13	13	NUM
american_scientific_journal-5341	85	36	c	c	NOUN
american_scientific_journal-5341	85	37	-	-	PUNCT
american_scientific_journal-5341	85	38	nmr	nmr	NOUN
american_scientific_journal-5341	85	39	&	&	CCONJ
american_scientific_journal-5341	85	40	1	1	NUM
american_scientific_journal-5341	85	41	h	h	ADJ
american_scientific_journal-5341	85	42	-	-	PUNCT
american_scientific_journal-5341	85	43	nmr	nmr	NOUN
american_scientific_journal-5341	85	44	chemical	chemical	NOUN
american_scientific_journal-5341	85	45	shift	shift	NOUN
american_scientific_journal-5341	85	46	(	(	PUNCT
american_scientific_journal-5341	85	47	ppm	ppm	NOUN
american_scientific_journal-5341	85	48	)	)	PUNCT
american_scientific_journal-5341	85	49	.	.	PUNCT
american_scientific_journal-5341	86	1	carbon	carbon	NOUN
american_scientific_journal-5341	86	2	atom	atom	NOUN
american_scientific_journal-5341	86	3	experimental	experimental	ADJ
american_scientific_journal-5341	86	4	13	13	NUM
american_scientific_journal-5341	86	5	c	c	NOUN
american_scientific_journal-5341	86	6	-	-	PUNCT
american_scientific_journal-5341	86	7	nmr	nmr	NOUN
american_scientific_journal-5341	86	8	chemical	chemical	NOUN
american_scientific_journal-5341	86	9	shift	shift	NOUN
american_scientific_journal-5341	86	10	(	(	PUNCT
american_scientific_journal-5341	86	11	ppm	ppm	NOUN
american_scientific_journal-5341	86	12	)	)	PUNCT
american_scientific_journal-5341	86	13	calculated	calculate	VERB
american_scientific_journal-5341	86	14	13	13	NUM
american_scientific_journal-5341	86	15	c	c	NOUN
american_scientific_journal-5341	86	16	-	-	PUNCT
american_scientific_journal-5341	86	17	nmr	nmr	NOUN
american_scientific_journal-5341	86	18	chemical	chemical	NOUN
american_scientific_journal-5341	86	19	shift	shift	NOUN
american_scientific_journal-5341	86	20	(	(	PUNCT
american_scientific_journal-5341	86	21	ppm	ppm	NOUN
american_scientific_journal-5341	86	22	)	)	PUNCT
american_scientific_journal-5341	86	23	hydrogen	hydrogen	NOUN
american_scientific_journal-5341	86	24	atom	atom	NOUN
american_scientific_journal-5341	86	25	experimental	experimental	ADJ
american_scientific_journal-5341	86	26	1	1	NUM
american_scientific_journal-5341	86	27	h	h	NOUN
american_scientific_journal-5341	86	28	-	-	PUNCT
american_scientific_journal-5341	86	29	nmr	nmr	NOUN
american_scientific_journal-5341	86	30	chemical	chemical	NOUN
american_scientific_journal-5341	86	31	shift(ppm	shift(ppm	NOUN
american_scientific_journal-5341	86	32	)	)	PUNCT
american_scientific_journal-5341	86	33	calculated	calculate	VERB
american_scientific_journal-5341	86	34	1	1	NUM
american_scientific_journal-5341	86	35	h	h	NOUN
american_scientific_journal-5341	86	36	-nmr	-nmr	X
american_scientific_journal-5341	86	37	chemical	chemical	NOUN
american_scientific_journal-5341	86	38	shift	shift	NOUN
american_scientific_journal-5341	86	39	(	(	PUNCT
american_scientific_journal-5341	86	40	ppm	ppm	NOUN
american_scientific_journal-5341	86	41	)	)	PUNCT
american_scientific_journal-5341	86	42	c-32	c-32	PROPN
american_scientific_journal-5341	86	43	c-3	c-3	PROPN
american_scientific_journal-5341	86	44	c-20	c-20	PROPN
american_scientific_journal-5341	86	45	c-6	c-6	NOUN
american_scientific_journal-5341	86	46	c-1	c-1	NOUN
american_scientific_journal-5341	86	47	c-2	c-2	NOUN
american_scientific_journal-5341	86	48	c-23	c-23	PROPN
american_scientific_journal-5341	86	49	c-25	c-25	PROPN
american_scientific_journal-5341	86	50	c-9	c-9	PROPN
american_scientific_journal-5341	87	1	c-11	c-11	PROPN
american_scientific_journal-5341	87	2	c-13	c-13	PROPN
american_scientific_journal-5341	87	3	c-27	c-27	PROPN
american_scientific_journal-5341	87	4	c-22	c-22	PROPN
american_scientific_journal-5341	87	5	c-7	c-7	VERB
american_scientific_journal-5341	87	6	c-8	c-8	NOUN
american_scientific_journal-5341	87	7	c-21	c-21	ADV
american_scientific_journal-5341	87	8	194.000	194.000	NUM
american_scientific_journal-5341	87	9	157.500	157.500	NUM
american_scientific_journal-5341	87	10	143.000	143.000	NUM
american_scientific_journal-5341	87	11	140.300	140.300	NUM
american_scientific_journal-5341	87	12	136.800	136.800	NUM
american_scientific_journal-5341	87	13	136.800	136.800	NUM
american_scientific_journal-5341	87	14	129.500	129.500	NUM
american_scientific_journal-5341	87	15	129.500	129.500	NUM
american_scientific_journal-5341	87	16	128.900	128.900	NUM
american_scientific_journal-5341	87	17	128.900	128.900	NUM
american_scientific_journal-5341	87	18	128.000	128.000	NUM
american_scientific_journal-5341	87	19	122.400	122.400	NUM
american_scientific_journal-5341	87	20	113.900	113.900	NUM
american_scientific_journal-5341	87	21	118.500	118.500	NUM
american_scientific_journal-5341	87	22	118.500	118.500	NUM
american_scientific_journal-5341	87	23	113.900	113.900	NUM
american_scientific_journal-5341	87	24	185.241	185.241	NUM
american_scientific_journal-5341	87	25	160.974	160.974	NUM
american_scientific_journal-5341	87	26	145.576	145.576	NUM
american_scientific_journal-5341	87	27	144.637	144.637	NUM
american_scientific_journal-5341	87	28	144.544	144.544	NUM
american_scientific_journal-5341	87	29	130.711	130.711	NUM
american_scientific_journal-5341	87	30	134.423	134.423	NUM
american_scientific_journal-5341	87	31	133.936	133.936	NUM
american_scientific_journal-5341	87	32	133.176	133.176	NUM
american_scientific_journal-5341	87	33	133.075	133.075	NUM
american_scientific_journal-5341	87	34	129.793	129.793	NUM
american_scientific_journal-5341	87	35	131.860	131.860	NUM
american_scientific_journal-5341	87	36	122.094	122.094	NUM
american_scientific_journal-5341	87	37	120.091	120.091	NUM
american_scientific_journal-5341	87	38	120.065	120.065	NUM
american_scientific_journal-5341	87	39	117.371	117.371	NUM
american_scientific_journal-5341	87	40	h-31	h-31	NOUN
american_scientific_journal-5341	87	41	h-34	h-34	PROPN
american_scientific_journal-5341	87	42	h-12	h-12	NOUN
american_scientific_journal-5341	87	43	h-10	h-10	PART
american_scientific_journal-5341	87	44	h-24	h-24	NUM
american_scientific_journal-5341	87	45	h-28	h-28	ADJ
american_scientific_journal-5341	87	46	h-14	h-14	PROPN
american_scientific_journal-5341	88	1	h-29	h-29	ADV
american_scientific_journal-5341	88	2	h-15	h-15	PROPN
american_scientific_journal-5341	89	1	h-30	h-30	VERB
american_scientific_journal-5341	89	2	h-16	h-16	NOUN
american_scientific_journal-5341	89	3	h-26	h-26	ADP
american_scientific_journal-5341	89	4	11.700	11.700	NUM
american_scientific_journal-5341	89	5	9.500	9.500	NUM
american_scientific_journal-5341	89	6	8.900	8.900	NUM
american_scientific_journal-5341	89	7	8.060	8.060	NUM
american_scientific_journal-5341	89	8	7.793	7.793	NUM
american_scientific_journal-5341	89	9	7.550	7.550	NUM
american_scientific_journal-5341	89	10	7.231	7.231	NUM
american_scientific_journal-5341	89	11	7.220	7.220	NUM
american_scientific_journal-5341	89	12	7.200	7.200	NUM
american_scientific_journal-5341	89	13	7.130	7.130	NUM
american_scientific_journal-5341	89	14	7.120	7.120	NUM
american_scientific_journal-5341	89	15	7.100	7.100	NUM
american_scientific_journal-5341	89	16	13.528	13.528	NUM
american_scientific_journal-5341	89	17	10.540	10.540	NUM
american_scientific_journal-5341	89	18	9.096	9.096	NUM
american_scientific_journal-5341	89	19	8.179	8.179	NUM
american_scientific_journal-5341	89	20	8.100	8.100	NUM
american_scientific_journal-5341	89	21	7.722	7.722	NUM
american_scientific_journal-5341	89	22	7.673	7.673	NUM
american_scientific_journal-5341	89	23	7.660	7.660	NUM
american_scientific_journal-5341	89	24	7.642	7.642	NUM
american_scientific_journal-5341	89	25	7.493	7.493	NUM
american_scientific_journal-5341	89	26	7.440	7.440	NUM
american_scientific_journal-5341	89	27	7.320	7.320	NUM
american_scientific_journal-5341	89	28	american	american	ADJ
american_scientific_journal-5341	89	29	scientific	scientific	ADJ
american_scientific_journal-5341	89	30	research	research	NOUN
american_scientific_journal-5341	89	31	journal	journal	NOUN
american_scientific_journal-5341	89	32	for	for	ADP
american_scientific_journal-5341	89	33	engineering	engineering	NOUN
american_scientific_journal-5341	89	34	,	,	PUNCT
american_scientific_journal-5341	89	35	technology	technology	NOUN
american_scientific_journal-5341	89	36	,	,	PUNCT
american_scientific_journal-5341	89	37	and	and	CCONJ
american_scientific_journal-5341	89	38	sciences	science	NOUN
american_scientific_journal-5341	89	39	(	(	PUNCT
american_scientific_journal-5341	89	40	asrjets	asrjet	NOUN
american_scientific_journal-5341	89	41	)	)	PUNCT
american_scientific_journal-5341	89	42	(	(	PUNCT
american_scientific_journal-5341	89	43	2019	2019	NUM
american_scientific_journal-5341	89	44	)	)	PUNCT
american_scientific_journal-5341	89	45	volume	volume	NOUN
american_scientific_journal-5341	89	46	61	61	NUM
american_scientific_journal-5341	89	47	,	,	PUNCT
american_scientific_journal-5341	89	48	no	no	DET
american_scientific_journal-5341	89	49	1	1	NUM
american_scientific_journal-5341	89	50	,	,	PUNCT
american_scientific_journal-5341	89	51	pp	pp	ADV
american_scientific_journal-5341	89	52	75	75	NUM
american_scientific_journal-5341	89	53	-	-	SYM
american_scientific_journal-5341	89	54	91	91	NUM
american_scientific_journal-5341	89	55	86	86	NUM
american_scientific_journal-5341	89	56	figure	figure	NOUN
american_scientific_journal-5341	89	57	10	10	NUM
american_scientific_journal-5341	89	58	:	:	PUNCT
american_scientific_journal-5341	89	59	correlation	correlation	NOUN
american_scientific_journal-5341	89	60	graph	graph	NOUN
american_scientific_journal-5341	89	61	between	between	ADP
american_scientific_journal-5341	89	62	experimental	experimental	ADJ
american_scientific_journal-5341	89	63	and	and	CCONJ
american_scientific_journal-5341	89	64	calculated	calculate	VERB
american_scientific_journal-5341	89	65	1	1	NUM
american_scientific_journal-5341	89	66	h	h	ADJ
american_scientific_journal-5341	89	67	-	-	PUNCT
american_scientific_journal-5341	89	68	nmr	nmr	NOUN
american_scientific_journal-5341	89	69	chemical	chemical	NOUN
american_scientific_journal-5341	89	70	shift	shift	NOUN
american_scientific_journal-5341	89	71	.	.	PUNCT
american_scientific_journal-5341	90	1	figure	figure	NOUN
american_scientific_journal-5341	90	2	11	11	NUM
american_scientific_journal-5341	90	3	:	:	PUNCT
american_scientific_journal-5341	90	4	correlation	correlation	NOUN
american_scientific_journal-5341	90	5	graph	graph	NOUN
american_scientific_journal-5341	90	6	between	between	ADP
american_scientific_journal-5341	90	7	experimental	experimental	ADJ
american_scientific_journal-5341	90	8	and	and	CCONJ
american_scientific_journal-5341	90	9	calculated	calculate	VERB
american_scientific_journal-5341	90	10	13	13	NUM
american_scientific_journal-5341	90	11	c	c	NOUN
american_scientific_journal-5341	90	12	-	-	PUNCT
american_scientific_journal-5341	90	13	nmr	nmr	NOUN
american_scientific_journal-5341	90	14	chemical	chemical	NOUN
american_scientific_journal-5341	90	15	shift	shift	NOUN
american_scientific_journal-5341	90	16	.	.	PUNCT
american_scientific_journal-5341	91	1	in	in	ADP
american_scientific_journal-5341	91	2	practice	practice	NOUN
american_scientific_journal-5341	91	3	,	,	PUNCT
american_scientific_journal-5341	91	4	nmr	nmr	NOUN
american_scientific_journal-5341	91	5	experiments	experiment	NOUN
american_scientific_journal-5341	91	6	do	do	AUX
american_scientific_journal-5341	91	7	not	not	PART
american_scientific_journal-5341	91	8	measure	measure	VERB
american_scientific_journal-5341	91	9	the	the	DET
american_scientific_journal-5341	91	10	shielding	shielding	NOUN
american_scientific_journal-5341	91	11	directly	directly	ADV
american_scientific_journal-5341	91	12	,	,	PUNCT
american_scientific_journal-5341	91	13	instead	instead	ADV
american_scientific_journal-5341	91	14	the	the	DET
american_scientific_journal-5341	91	15	common	common	ADJ
american_scientific_journal-5341	91	16	practice	practice	NOUN
american_scientific_journal-5341	91	17	is	be	AUX
american_scientific_journal-5341	91	18	to	to	PART
american_scientific_journal-5341	91	19	measure	measure	VERB
american_scientific_journal-5341	91	20	the	the	DET
american_scientific_journal-5341	91	21	chemical	chemical	ADJ
american_scientific_journal-5341	91	22	shifts	shift	NOUN
american_scientific_journal-5341	91	23	as	as	ADP
american_scientific_journal-5341	91	24	the	the	DET
american_scientific_journal-5341	91	25	change	change	NOUN
american_scientific_journal-5341	91	26	of	of	ADP
american_scientific_journal-5341	91	27	resonance	resonance	NOUN
american_scientific_journal-5341	91	28	frequency	frequency	NOUN
american_scientific_journal-5341	91	29	of	of	ADP
american_scientific_journal-5341	91	30	a	a	DET
american_scientific_journal-5341	91	31	nucleus	nucleus	NOUN
american_scientific_journal-5341	91	32	relative	relative	NOUN
american_scientific_journal-5341	91	33	to	to	ADP
american_scientific_journal-5341	91	34	a	a	DET
american_scientific_journal-5341	91	35	given	give	VERB
american_scientific_journal-5341	91	36	standard	standard	NOUN
american_scientific_journal-5341	91	37	.	.	PUNCT
american_scientific_journal-5341	92	1	moreover	moreover	ADV
american_scientific_journal-5341	92	2	,	,	PUNCT
american_scientific_journal-5341	92	3	for	for	ADP
american_scientific_journal-5341	92	4	historic	historic	ADJ
american_scientific_journal-5341	92	5	reasons	reason	NOUN
american_scientific_journal-5341	92	6	it	it	PRON
american_scientific_journal-5341	92	7	is	be	AUX
american_scientific_journal-5341	92	8	normally	normally	ADV
american_scientific_journal-5341	92	9	to	to	PART
american_scientific_journal-5341	92	10	reverse	reverse	VERB
american_scientific_journal-5341	92	11	the	the	DET
american_scientific_journal-5341	92	12	frequency	frequency	NOUN
american_scientific_journal-5341	92	13	scale	scale	NOUN
american_scientific_journal-5341	92	14	,	,	PUNCT
american_scientific_journal-5341	92	15	i.e.	i.e.	X
american_scientific_journal-5341	92	16	nuclei	nucleus	NOUN
american_scientific_journal-5341	92	17	more	more	ADV
american_scientific_journal-5341	92	18	shielded	shielded	ADJ
american_scientific_journal-5341	92	19	than	than	SCONJ
american_scientific_journal-5341	92	20	the	the	DET
american_scientific_journal-5341	92	21	standard	standard	NOUN
american_scientific_journal-5341	92	22	are	be	AUX
american_scientific_journal-5341	92	23	considered	consider	VERB
american_scientific_journal-5341	92	24	to	to	PART
american_scientific_journal-5341	92	25	have	have	VERB
american_scientific_journal-5341	92	26	positive	positive	ADJ
american_scientific_journal-5341	92	27	chemical	chemical	ADJ
american_scientific_journal-5341	92	28	shifts	shift	NOUN
american_scientific_journal-5341	92	29	and	and	CCONJ
american_scientific_journal-5341	92	30	those	those	DET
american_scientific_journal-5341	92	31	less	less	ADV
american_scientific_journal-5341	92	32	shielded	shielded	ADJ
american_scientific_journal-5341	92	33	negative	negative	ADJ
american_scientific_journal-5341	92	34	ones	one	NOUN
american_scientific_journal-5341	92	35	.	.	PUNCT
american_scientific_journal-5341	93	1	the	the	DET
american_scientific_journal-5341	93	2	formal	formal	ADJ
american_scientific_journal-5341	93	3	relation	relation	NOUN
american_scientific_journal-5341	93	4	between	between	ADP
american_scientific_journal-5341	93	5	the	the	DET
american_scientific_journal-5341	93	6	chemical	chemical	NOUN
american_scientific_journal-5341	93	7	shift	shift	NOUN
american_scientific_journal-5341	93	8	and	and	CCONJ
american_scientific_journal-5341	93	9	shielding	shielding	NOUN
american_scientific_journal-5341	93	10	tensors	tensor	NOUN
american_scientific_journal-5341	93	11	is	be	AUX
american_scientific_journal-5341	93	12	given	give	VERB
american_scientific_journal-5341	93	13	by	by	ADP
american_scientific_journal-5341	93	14	:	:	PUNCT
american_scientific_journal-5341	93	15	δ	δ	PROPN
american_scientific_journal-5341	93	16	=	=	SYM
american_scientific_journal-5341	93	17	1σiso	1σiso	NUM
american_scientific_journal-5341	93	18	−	−	PROPN
american_scientific_journal-5341	94	1	σ	σ	PROPN
american_scientific_journal-5341	94	2	,	,	PUNCT
american_scientific_journal-5341	94	3	where	where	SCONJ
american_scientific_journal-5341	94	4	δ	δ	PROPN
american_scientific_journal-5341	94	5	is	be	AUX
american_scientific_journal-5341	94	6	the	the	DET
american_scientific_journal-5341	94	7	chemical	chemical	ADJ
american_scientific_journal-5341	94	8	shift	shift	NOUN
american_scientific_journal-5341	94	9	tensor	tensor	NOUN
american_scientific_journal-5341	94	10	,	,	PUNCT
american_scientific_journal-5341	94	11	σ	σ	PROPN
american_scientific_journal-5341	94	12	is	be	AUX
american_scientific_journal-5341	94	13	the	the	DET
american_scientific_journal-5341	94	14	shielding	shielding	NOUN
american_scientific_journal-5341	94	15	tensor	tensor	NOUN
american_scientific_journal-5341	94	16	,	,	PUNCT
american_scientific_journal-5341	94	17	1	1	NUM
american_scientific_journal-5341	94	18	is	be	AUX
american_scientific_journal-5341	94	19	the	the	DET
american_scientific_journal-5341	94	20	unit	unit	NOUN
american_scientific_journal-5341	94	21	matrix	matrix	NOUN
american_scientific_journal-5341	94	22	and	and	CCONJ
american_scientific_journal-5341	94	23	σiso	σiso	NOUN
american_scientific_journal-5341	94	24	is	be	AUX
american_scientific_journal-5341	94	25	the	the	DET
american_scientific_journal-5341	94	26	isotropic	isotropic	ADJ
american_scientific_journal-5341	94	27	value	value	NOUN
american_scientific_journal-5341	94	28	or	or	CCONJ
american_scientific_journal-5341	94	29	trace	trace	NOUN
american_scientific_journal-5341	94	30	of	of	ADP
american_scientific_journal-5341	94	31	the	the	DET
american_scientific_journal-5341	94	32	shielding	shielding	NOUN
american_scientific_journal-5341	94	33	tensor	tensor	NOUN
american_scientific_journal-5341	94	34	of	of	ADP
american_scientific_journal-5341	94	35	the	the	DET
american_scientific_journal-5341	94	36	standard	standard	ADJ
american_scientific_journal-5341	94	37	reference	reference	NOUN
american_scientific_journal-5341	94	38	used	use	VERB
american_scientific_journal-5341	94	39	in	in	ADP
american_scientific_journal-5341	94	40	the	the	DET
american_scientific_journal-5341	94	41	nmr	nmr	NOUN
american_scientific_journal-5341	94	42	experiments	experiment	NOUN
american_scientific_journal-5341	94	43	.	.	PUNCT
american_scientific_journal-5341	95	1	magnetic	magnetic	ADJ
american_scientific_journal-5341	95	2	shielding	shielding	NOUN
american_scientific_journal-5341	95	3	tensors	tensor	NOUN
american_scientific_journal-5341	95	4	are	be	AUX
american_scientific_journal-5341	95	5	given	give	VERB
american_scientific_journal-5341	95	6	in	in	ADP
american_scientific_journal-5341	95	7	units	unit	NOUN
american_scientific_journal-5341	95	8	of	of	ADP
american_scientific_journal-5341	95	9	ppm	ppm	NOUN
american_scientific_journal-5341	95	10	,	,	PUNCT
american_scientific_journal-5341	95	11	and	and	CCONJ
american_scientific_journal-5341	95	12	the	the	DET
american_scientific_journal-5341	95	13	jcoupling	jcouple	VERB
american_scientific_journal-5341	95	14	tensors	tensor	NOUN
american_scientific_journal-5341	95	15	are	be	AUX
american_scientific_journal-5341	95	16	given	give	VERB
american_scientific_journal-5341	95	17	in	in	ADP
american_scientific_journal-5341	95	18	reduced	reduce	VERB
american_scientific_journal-5341	95	19	si	si	PROPN
american_scientific_journal-5341	95	20	units	unit	NOUN
american_scientific_journal-5341	95	21	.	.	PUNCT
american_scientific_journal-5341	96	1	this	this	DET
american_scientific_journal-5341	96	2	choice	choice	NOUN
american_scientific_journal-5341	96	3	of	of	ADP
american_scientific_journal-5341	96	4	units	unit	NOUN
american_scientific_journal-5341	96	5	has	have	AUX
american_scientific_journal-5341	96	6	been	be	AUX
american_scientific_journal-5341	96	7	made	make	VERB
american_scientific_journal-5341	96	8	so	so	SCONJ
american_scientific_journal-5341	96	9	quantities	quantity	NOUN
american_scientific_journal-5341	96	10	given	give	VERB
american_scientific_journal-5341	96	11	are	be	AUX
american_scientific_journal-5341	96	12	independent	independent	ADJ
american_scientific_journal-5341	96	13	of	of	ADP
american_scientific_journal-5341	96	14	the	the	DET
american_scientific_journal-5341	96	15	isotope	isotope	NOUN
american_scientific_journal-5341	96	16	of	of	ADP
american_scientific_journal-5341	96	17	the	the	DET
american_scientific_journal-5341	96	18	nucleus	nucleus	NOUN
american_scientific_journal-5341	96	19	.	.	PUNCT
american_scientific_journal-5341	97	1	the	the	DET
american_scientific_journal-5341	97	2	calculation	calculation	NOUN
american_scientific_journal-5341	97	3	of	of	ADP
american_scientific_journal-5341	97	4	nuclear	nuclear	ADJ
american_scientific_journal-5341	97	5	magnetic	magnetic	ADJ
american_scientific_journal-5341	97	6	anisotropy	anisotropy	NOUN
american_scientific_journal-5341	97	7	shielding	shielding	NOUN
american_scientific_journal-5341	97	8	tensors	tensor	NOUN
american_scientific_journal-5341	97	9	via	via	ADP
american_scientific_journal-5341	97	10	y	y	PROPN
american_scientific_journal-5341	97	11	=	=	SYM
american_scientific_journal-5341	97	12	1.2969x	1.2969x	PROPN
american_scientific_journal-5341	97	13	1.9109	1.9109	NUM
american_scientific_journal-5341	97	14	r²	r²	NOUN
american_scientific_journal-5341	97	15	=	=	SYM
american_scientific_journal-5341	98	1	0.9785	0.9785	NUM
american_scientific_journal-5341	98	2	0	0	NUM
american_scientific_journal-5341	98	3	2	2	NUM
american_scientific_journal-5341	98	4	4	4	NUM
american_scientific_journal-5341	98	5	6	6	NUM
american_scientific_journal-5341	98	6	8	8	NUM
american_scientific_journal-5341	98	7	10	10	NUM
american_scientific_journal-5341	98	8	12	12	NUM
american_scientific_journal-5341	98	9	14	14	NUM
american_scientific_journal-5341	98	10	16	16	NUM
american_scientific_journal-5341	98	11	0	0	NUM
american_scientific_journal-5341	98	12	2	2	NUM
american_scientific_journal-5341	98	13	4	4	NUM
american_scientific_journal-5341	98	14	6	6	NUM
american_scientific_journal-5341	98	15	8	8	NUM
american_scientific_journal-5341	98	16	10	10	NUM
american_scientific_journal-5341	98	17	12	12	NUM
american_scientific_journal-5341	98	18	14	14	NUM
american_scientific_journal-5341	98	19	c	c	NOUN
american_scientific_journal-5341	98	20	al	al	PROPN
american_scientific_journal-5341	98	21	cu	cu	PROPN
american_scientific_journal-5341	98	22	la	la	PROPN
american_scientific_journal-5341	99	1	te	te	PROPN
american_scientific_journal-5341	100	1	d	d	PROPN
american_scientific_journal-5341	100	2	1	1	NUM
american_scientific_journal-5341	100	3	h	h	NOUN
american_scientific_journal-5341	101	1	-n	-n	NOUN
american_scientific_journal-5341	101	2	m	m	NOUN
american_scientific_journal-5341	101	3	r	r	NOUN
american_scientific_journal-5341	101	4	c	c	NOUN
american_scientific_journal-5341	101	5	h	h	NOUN
american_scientific_journal-5341	102	1	e	e	NOUN
american_scientific_journal-5341	102	2	m	m	VERB
american_scientific_journal-5341	102	3	ic	ic	PROPN
american_scientific_journal-5341	102	4	al	al	PROPN
american_scientific_journal-5341	102	5	s	s	PROPN
american_scientific_journal-5341	102	6	h	h	NOUN
american_scientific_journal-5341	103	1	if	if	SCONJ
american_scientific_journal-5341	103	2	t	t	PROPN
american_scientific_journal-5341	103	3	(	(	PUNCT
american_scientific_journal-5341	103	4	p	p	X
american_scientific_journal-5341	103	5	p	p	PROPN
american_scientific_journal-5341	103	6	m	m	NOUN
american_scientific_journal-5341	103	7	)	)	PUNCT
american_scientific_journal-5341	103	8	experimental	experimental	ADJ
american_scientific_journal-5341	103	9	1h	1h	NUM
american_scientific_journal-5341	103	10	-	-	PUNCT
american_scientific_journal-5341	103	11	nmr	nmr	NOUN
american_scientific_journal-5341	103	12	chemical	chemical	NOUN
american_scientific_journal-5341	103	13	shift	shift	NOUN
american_scientific_journal-5341	103	14	(	(	PUNCT
american_scientific_journal-5341	103	15	ppm	ppm	NOUN
american_scientific_journal-5341	103	16	)	)	PUNCT
american_scientific_journal-5341	104	1	y	y	NOUN
american_scientific_journal-5341	104	2	=	=	PUNCT
american_scientific_journal-5341	104	3	1.1215x	1.1215x	PROPN
american_scientific_journal-5341	104	4	19.554	19.554	NUM
american_scientific_journal-5341	104	5	r²	r²	NOUN
american_scientific_journal-5341	104	6	=	=	SYM
american_scientific_journal-5341	104	7	0.9549	0.9549	NUM
american_scientific_journal-5341	104	8	0	0	NUM
american_scientific_journal-5341	104	9	50	50	NUM
american_scientific_journal-5341	104	10	100	100	NUM
american_scientific_journal-5341	104	11	150	150	NUM
american_scientific_journal-5341	104	12	200	200	NUM
american_scientific_journal-5341	104	13	250	250	NUM
american_scientific_journal-5341	104	14	0	0	NUM
american_scientific_journal-5341	104	15	50	50	NUM
american_scientific_journal-5341	104	16	100	100	NUM
american_scientific_journal-5341	104	17	150	150	NUM
american_scientific_journal-5341	104	18	200	200	NUM
american_scientific_journal-5341	104	19	c	c	NOUN
american_scientific_journal-5341	104	20	al	al	PROPN
american_scientific_journal-5341	104	21	cu	cu	PROPN
american_scientific_journal-5341	104	22	la	la	PROPN
american_scientific_journal-5341	104	23	te	te	PROPN
american_scientific_journal-5341	105	1	d	d	PROPN
american_scientific_journal-5341	105	2	13	13	NUM
american_scientific_journal-5341	105	3	c	c	NOUN
american_scientific_journal-5341	105	4	-n	-n	X
american_scientific_journal-5341	105	5	m	m	NOUN
american_scientific_journal-5341	105	6	r	r	NOUN
american_scientific_journal-5341	105	7	c	c	NOUN
american_scientific_journal-5341	105	8	h	h	NOUN
american_scientific_journal-5341	106	1	e	e	NOUN
american_scientific_journal-5341	106	2	m	m	VERB
american_scientific_journal-5341	106	3	ic	ic	PROPN
american_scientific_journal-5341	106	4	al	al	PROPN
american_scientific_journal-5341	106	5	s	s	PROPN
american_scientific_journal-5341	106	6	h	h	NOUN
american_scientific_journal-5341	107	1	if	if	SCONJ
american_scientific_journal-5341	107	2	t	t	PROPN
american_scientific_journal-5341	107	3	(	(	PUNCT
american_scientific_journal-5341	107	4	p	p	X
american_scientific_journal-5341	107	5	p	p	PROPN
american_scientific_journal-5341	107	6	m	m	NOUN
american_scientific_journal-5341	107	7	)	)	PUNCT
american_scientific_journal-5341	107	8	experimental	experimental	ADJ
american_scientific_journal-5341	107	9	13c	13c	NOUN
american_scientific_journal-5341	107	10	-	-	ADJ
american_scientific_journal-5341	107	11	nmr	nmr	ADJ
american_scientific_journal-5341	107	12	chemical	chemical	NOUN
american_scientific_journal-5341	107	13	shift	shift	NOUN
american_scientific_journal-5341	107	14	(	(	PUNCT
american_scientific_journal-5341	107	15	ppm	ppm	NOUN
american_scientific_journal-5341	107	16	)	)	PUNCT
american_scientific_journal-5341	107	17	american	american	ADJ
american_scientific_journal-5341	107	18	scientific	scientific	ADJ
american_scientific_journal-5341	107	19	research	research	NOUN
american_scientific_journal-5341	107	20	journal	journal	NOUN
american_scientific_journal-5341	107	21	for	for	ADP
american_scientific_journal-5341	107	22	engineering	engineering	NOUN
american_scientific_journal-5341	107	23	,	,	PUNCT
american_scientific_journal-5341	107	24	technology	technology	NOUN
american_scientific_journal-5341	107	25	,	,	PUNCT
american_scientific_journal-5341	107	26	and	and	CCONJ
american_scientific_journal-5341	107	27	sciences	science	NOUN
american_scientific_journal-5341	107	28	(	(	PUNCT
american_scientific_journal-5341	107	29	asrjets	asrjet	NOUN
american_scientific_journal-5341	107	30	)	)	PUNCT
american_scientific_journal-5341	107	31	(	(	PUNCT
american_scientific_journal-5341	107	32	2019	2019	NUM
american_scientific_journal-5341	107	33	)	)	PUNCT
american_scientific_journal-5341	107	34	volume	volume	NOUN
american_scientific_journal-5341	107	35	61	61	NUM
american_scientific_journal-5341	107	36	,	,	PUNCT
american_scientific_journal-5341	107	37	no	no	DET
american_scientific_journal-5341	107	38	1	1	NUM
american_scientific_journal-5341	107	39	,	,	PUNCT
american_scientific_journal-5341	107	40	pp	pp	ADV
american_scientific_journal-5341	107	41	75	75	NUM
american_scientific_journal-5341	107	42	-	-	SYM
american_scientific_journal-5341	107	43	91	91	NUM
american_scientific_journal-5341	107	44	87	87	NUM
american_scientific_journal-5341	107	45	gauge	gauge	NOUN
american_scientific_journal-5341	107	46	-	-	PUNCT
american_scientific_journal-5341	107	47	including	include	VERB
american_scientific_journal-5341	107	48	atomic	atomic	ADJ
american_scientific_journal-5341	107	49	orbital	orbital	NOUN
american_scientific_journal-5341	107	50	for	for	ADP
american_scientific_journal-5341	107	51	nuclei	nucleus	NOUN
american_scientific_journal-5341	107	52	c-1	c-1	NOUN
american_scientific_journal-5341	107	53	,	,	PUNCT
american_scientific_journal-5341	107	54	h-31	h-31	NOUN
american_scientific_journal-5341	107	55	,	,	PUNCT
american_scientific_journal-5341	107	56	c-32	c-32	PROPN
american_scientific_journal-5341	107	57	,	,	PUNCT
american_scientific_journal-5341	107	58	h-34	h-34	PROPN
american_scientific_journal-5341	107	59	,	,	PUNCT
american_scientific_journal-5341	107	60	is	be	AUX
american_scientific_journal-5341	107	61	shown	show	VERB
american_scientific_journal-5341	107	62	in	in	ADP
american_scientific_journal-5341	107	63	figure	figure	NOUN
american_scientific_journal-5341	107	64	12	12	NUM
american_scientific_journal-5341	107	65	.	.	PUNCT
american_scientific_journal-5341	108	1	figure	figure	NOUN
american_scientific_journal-5341	108	2	12	12	NUM
american_scientific_journal-5341	108	3	:	:	PUNCT
american_scientific_journal-5341	108	4	screen	screen	NOUN
american_scientific_journal-5341	108	5	shot	shot	NOUN
american_scientific_journal-5341	108	6	of	of	ADP
american_scientific_journal-5341	108	7	the	the	DET
american_scientific_journal-5341	108	8	out	out	NOUN
american_scientific_journal-5341	108	9	put	put	NOUN
american_scientific_journal-5341	108	10	wordpad	wordpad	NOUN
american_scientific_journal-5341	108	11	file	file	NOUN
american_scientific_journal-5341	108	12	with	with	ADP
american_scientific_journal-5341	108	13	the	the	DET
american_scientific_journal-5341	108	14	anisotropy	anisotropy	NOUN
american_scientific_journal-5341	108	15	shielding	shielding	NOUN
american_scientific_journal-5341	108	16	tensor	tensor	NOUN
american_scientific_journal-5341	108	17	from	from	ADP
american_scientific_journal-5341	108	18	the	the	DET
american_scientific_journal-5341	108	19	check	check	NOUN
american_scientific_journal-5341	108	20	point	point	NOUN
american_scientific_journal-5341	108	21	file	file	NOUN
american_scientific_journal-5341	108	22	of	of	ADP
american_scientific_journal-5341	108	23	the	the	DET
american_scientific_journal-5341	108	24	giao	giao	NOUN
american_scientific_journal-5341	108	25	calculations	calculation	NOUN
american_scientific_journal-5341	108	26	,	,	PUNCT
american_scientific_journal-5341	108	27	shielding	shielding	NOUN
american_scientific_journal-5341	108	28	density	density	NOUN
american_scientific_journal-5341	108	29	maps	map	NOUN
american_scientific_journal-5341	108	30	are	be	AUX
american_scientific_journal-5341	108	31	computed	compute	VERB
american_scientific_journal-5341	108	32	at	at	ADP
american_scientific_journal-5341	108	33	shielding	shielding	NOUN
american_scientific_journal-5341	108	34	tensor	tensor	NOUN
american_scientific_journal-5341	108	35	(	(	PUNCT
american_scientific_journal-5341	108	36	xx	xx	NUM
american_scientific_journal-5341	108	37	)	)	PUNCT
american_scientific_journal-5341	108	38	,	,	PUNCT
american_scientific_journal-5341	108	39	diffuse	diffuse	NOUN
american_scientific_journal-5341	108	40	functions	function	NOUN
american_scientific_journal-5341	108	41	of	of	ADP
american_scientific_journal-5341	108	42	h-31	h-31	NOUN
american_scientific_journal-5341	108	43	,	,	PUNCT
american_scientific_journal-5341	108	44	c-32	c-32	PROPN
american_scientific_journal-5341	108	45	,	,	PUNCT
american_scientific_journal-5341	108	46	h-34	h-34	PROPN
american_scientific_journal-5341	108	47	,	,	PUNCT
american_scientific_journal-5341	108	48	which	which	PRON
american_scientific_journal-5341	108	49	may	may	AUX
american_scientific_journal-5341	108	50	be	be	AUX
american_scientific_journal-5341	108	51	related	relate	VERB
american_scientific_journal-5341	108	52	to	to	ADP
american_scientific_journal-5341	108	53	the	the	DET
american_scientific_journal-5341	108	54	fact	fact	NOUN
american_scientific_journal-5341	108	55	that	that	SCONJ
american_scientific_journal-5341	108	56	polar	polar	ADJ
american_scientific_journal-5341	108	57	systems	system	NOUN
american_scientific_journal-5341	108	58	with	with	ADP
american_scientific_journal-5341	108	59	lone	lone	ADJ
american_scientific_journal-5341	108	60	pairs	pair	NOUN
american_scientific_journal-5341	108	61	in	in	ADP
american_scientific_journal-5341	108	62	general	general	ADJ
american_scientific_journal-5341	108	63	require	require	VERB
american_scientific_journal-5341	108	64	diffuse	diffuse	NOUN
american_scientific_journal-5341	108	65	functions	function	NOUN
american_scientific_journal-5341	108	66	for	for	ADP
american_scientific_journal-5341	108	67	a	a	DET
american_scientific_journal-5341	108	68	competent	competent	ADJ
american_scientific_journal-5341	108	69	description	description	NOUN
american_scientific_journal-5341	108	70	,	,	PUNCT
american_scientific_journal-5341	108	71	is	be	AUX
american_scientific_journal-5341	108	72	well	well	ADV
american_scientific_journal-5341	108	73	suited	suited	ADJ
american_scientific_journal-5341	108	74	for	for	ADP
american_scientific_journal-5341	108	75	the	the	DET
american_scientific_journal-5341	108	76	conception	conception	NOUN
american_scientific_journal-5341	108	77	and	and	CCONJ
american_scientific_journal-5341	108	78	interpretation	interpretation	NOUN
american_scientific_journal-5341	108	79	of	of	ADP
american_scientific_journal-5341	108	80	the	the	DET
american_scientific_journal-5341	108	81	h-31	h-31	NOUN
american_scientific_journal-5341	108	82	of	of	ADP
american_scientific_journal-5341	108	83	the	the	DET
american_scientific_journal-5341	108	84	hydrazone	hydrazone	NOUN
american_scientific_journal-5341	108	85	moiety	moiety	NOUN
american_scientific_journal-5341	108	86	and	and	CCONJ
american_scientific_journal-5341	108	87	c-32	c-32	PROPN
american_scientific_journal-5341	108	88	&	&	CCONJ
american_scientific_journal-5341	108	89	h-34	h-34	PROPN
american_scientific_journal-5341	108	90	of	of	ADP
american_scientific_journal-5341	108	91	the	the	DET
american_scientific_journal-5341	108	92	aldehyde	aldehyde	NOUN
american_scientific_journal-5341	108	93	group	group	NOUN
american_scientific_journal-5341	108	94	(	(	PUNCT
american_scientific_journal-5341	108	95	figures	figure	NOUN
american_scientific_journal-5341	108	96	13	13	NUM
american_scientific_journal-5341	108	97	,	,	PUNCT
american_scientific_journal-5341	108	98	14	14	NUM
american_scientific_journal-5341	108	99	and	and	CCONJ
american_scientific_journal-5341	108	100	15	15	NUM
american_scientific_journal-5341	108	101	)	)	PUNCT
american_scientific_journal-5341	108	102	.	.	PUNCT
american_scientific_journal-5341	109	1	maps	map	NOUN
american_scientific_journal-5341	109	2	showing	show	VERB
american_scientific_journal-5341	109	3	streamlines	streamline	NOUN
american_scientific_journal-5341	109	4	and	and	CCONJ
american_scientific_journal-5341	109	5	modulus	modulus	NOUN
american_scientific_journal-5341	109	6	of	of	ADP
american_scientific_journal-5341	109	7	the	the	DET
american_scientific_journal-5341	109	8	current	current	ADJ
american_scientific_journal-5341	109	9	density	density	NOUN
american_scientific_journal-5341	109	10	yield	yield	VERB
american_scientific_journal-5341	109	11	valuable	valuable	ADJ
american_scientific_journal-5341	109	12	tools	tool	NOUN
american_scientific_journal-5341	109	13	for	for	ADP
american_scientific_journal-5341	109	14	interpreting	interpret	VERB
american_scientific_journal-5341	109	15	the	the	DET
american_scientific_journal-5341	109	16	large	large	ADJ
american_scientific_journal-5341	109	17	out	out	ADJ
american_scientific_journal-5341	109	18	-	-	PUNCT
american_scientific_journal-5341	109	19	of	of	ADP
american_scientific_journal-5341	109	20	plane	plane	NOUN
american_scientific_journal-5341	109	21	component	component	NOUN
american_scientific_journal-5341	109	22	of	of	ADP
american_scientific_journal-5341	109	23	the	the	DET
american_scientific_journal-5341	109	24	magnetic	magnetic	ADJ
american_scientific_journal-5341	109	25	susceptibility	susceptibility	NOUN
american_scientific_journal-5341	109	26	and	and	CCONJ
american_scientific_journal-5341	109	27	the	the	DET
american_scientific_journal-5341	109	28	proton	proton	NOUN
american_scientific_journal-5341	109	29	deshielding	deshielding	NOUN
american_scientific_journal-5341	109	30	.	.	PUNCT
american_scientific_journal-5341	110	1	[	[	X
american_scientific_journal-5341	110	2	15	15	NUM
american_scientific_journal-5341	110	3	,	,	PUNCT
american_scientific_journal-5341	110	4	44	44	NUM
american_scientific_journal-5341	110	5	,	,	PUNCT
american_scientific_journal-5341	110	6	45	45	NUM
american_scientific_journal-5341	110	7	]	]	PUNCT
american_scientific_journal-5341	110	8	.	.	PUNCT
american_scientific_journal-5341	111	1	the	the	DET
american_scientific_journal-5341	111	2	electron	electron	NOUN
american_scientific_journal-5341	111	3	density	density	NOUN
american_scientific_journal-5341	111	4	yield	yield	VERB
american_scientific_journal-5341	111	5	valuable	valuable	ADJ
american_scientific_journal-5341	111	6	tools	tool	NOUN
american_scientific_journal-5341	111	7	for	for	ADP
american_scientific_journal-5341	111	8	interpreting	interpret	VERB
american_scientific_journal-5341	111	9	component	component	NOUN
american_scientific_journal-5341	111	10	of	of	ADP
american_scientific_journal-5341	111	11	the	the	DET
american_scientific_journal-5341	111	12	magnetic	magnetic	ADJ
american_scientific_journal-5341	111	13	susceptibility	susceptibility	NOUN
american_scientific_journal-5341	111	14	and	and	CCONJ
american_scientific_journal-5341	111	15	the	the	DET
american_scientific_journal-5341	111	16	proton	proton	NOUN
american_scientific_journal-5341	111	17	,	,	PUNCT
american_scientific_journal-5341	111	18	carbon	carbon	NOUN
american_scientific_journal-5341	111	19	deshielding	deshielding	NOUN
american_scientific_journal-5341	111	20	.	.	PUNCT
american_scientific_journal-5341	112	1	this	this	PRON
american_scientific_journal-5341	112	2	is	be	AUX
american_scientific_journal-5341	112	3	in	in	ADP
american_scientific_journal-5341	112	4	good	good	ADJ
american_scientific_journal-5341	112	5	agreement	agreement	NOUN
american_scientific_journal-5341	112	6	with	with	ADP
american_scientific_journal-5341	112	7	the	the	DET
american_scientific_journal-5341	112	8	esp	esp	ADJ
american_scientific_journal-5341	112	9	map	map	NOUN
american_scientific_journal-5341	112	10	of	of	ADP
american_scientific_journal-5341	112	11	the	the	DET
american_scientific_journal-5341	112	12	molecule	molecule	NOUN
american_scientific_journal-5341	112	13	(	(	PUNCT
american_scientific_journal-5341	112	14	figure	figure	NOUN
american_scientific_journal-5341	112	15	4	4	NUM
american_scientific_journal-5341	112	16	)	)	PUNCT
american_scientific_journal-5341	112	17	which	which	PRON
american_scientific_journal-5341	112	18	describes	describe	VERB
american_scientific_journal-5341	112	19	the	the	DET
american_scientific_journal-5341	112	20	active	active	ADJ
american_scientific_journal-5341	112	21	sites	site	NOUN
american_scientific_journal-5341	112	22	at	at	ADP
american_scientific_journal-5341	112	23	the	the	DET
american_scientific_journal-5341	112	24	hydrazine	hydrazine	NOUN
american_scientific_journal-5341	112	25	moiety	moiety	NOUN
american_scientific_journal-5341	112	26	and	and	CCONJ
american_scientific_journal-5341	112	27	the	the	DET
american_scientific_journal-5341	112	28	aldehyde	aldehyde	NOUN
american_scientific_journal-5341	112	29	group	group	NOUN
american_scientific_journal-5341	112	30	.	.	PUNCT
american_scientific_journal-5341	113	1	figure	figure	VERB
american_scientific_journal-5341	113	2	13	13	NUM
american_scientific_journal-5341	113	3	:	:	PUNCT
american_scientific_journal-5341	113	4	shielding	shielding	NOUN
american_scientific_journal-5341	113	5	density	density	NOUN
american_scientific_journal-5341	113	6	as	as	SCONJ
american_scientific_journal-5341	113	7	seen	see	VERB
american_scientific_journal-5341	113	8	by	by	ADP
american_scientific_journal-5341	113	9	nucleus	nucleus	ADJ
american_scientific_journal-5341	113	10	h-31	h-31	NOUN
american_scientific_journal-5341	113	11	in	in	ADP
american_scientific_journal-5341	113	12	the	the	DET
american_scientific_journal-5341	113	13	xx	xx	NUM
american_scientific_journal-5341	113	14	directionmapped	directionmappe	VERB
american_scientific_journal-5341	113	15	between	between	ADP
american_scientific_journal-5341	113	16	the	the	DET
american_scientific_journal-5341	113	17	values	value	NOUN
american_scientific_journal-5341	113	18	of	of	ADP
american_scientific_journal-5341	113	19	-2.632	-2.632	NOUN
american_scientific_journal-5341	113	20	to	to	ADP
american_scientific_journal-5341	113	21	2.632	2.632	NUM
american_scientific_journal-5341	113	22	on	on	ADP
american_scientific_journal-5341	113	23	the	the	DET
american_scientific_journal-5341	113	24	current	current	ADJ
american_scientific_journal-5341	113	25	density	density	NOUN
american_scientific_journal-5341	113	26	isosurface	isosurface	NOUN
american_scientific_journal-5341	113	27	at	at	ADP
american_scientific_journal-5341	113	28	a	a	DET
american_scientific_journal-5341	113	29	value	value	NOUN
american_scientific_journal-5341	113	30	of	of	ADP
american_scientific_journal-5341	113	31	0.0004	0.0004	NUM
american_scientific_journal-5341	113	32	american	american	ADJ
american_scientific_journal-5341	113	33	scientific	scientific	ADJ
american_scientific_journal-5341	113	34	research	research	NOUN
american_scientific_journal-5341	113	35	journal	journal	NOUN
american_scientific_journal-5341	113	36	for	for	ADP
american_scientific_journal-5341	113	37	engineering	engineering	NOUN
american_scientific_journal-5341	113	38	,	,	PUNCT
american_scientific_journal-5341	113	39	technology	technology	NOUN
american_scientific_journal-5341	113	40	,	,	PUNCT
american_scientific_journal-5341	113	41	and	and	CCONJ
american_scientific_journal-5341	113	42	sciences	science	NOUN
american_scientific_journal-5341	113	43	(	(	PUNCT
american_scientific_journal-5341	113	44	asrjets	asrjet	NOUN
american_scientific_journal-5341	113	45	)	)	PUNCT
american_scientific_journal-5341	113	46	(	(	PUNCT
american_scientific_journal-5341	113	47	2019	2019	NUM
american_scientific_journal-5341	113	48	)	)	PUNCT
american_scientific_journal-5341	113	49	volume	volume	NOUN
american_scientific_journal-5341	113	50	61	61	NUM
american_scientific_journal-5341	113	51	,	,	PUNCT
american_scientific_journal-5341	113	52	no	no	DET
american_scientific_journal-5341	113	53	1	1	NUM
american_scientific_journal-5341	113	54	,	,	PUNCT
american_scientific_journal-5341	113	55	pp	pp	ADV
american_scientific_journal-5341	113	56	75	75	NUM
american_scientific_journal-5341	113	57	-	-	SYM
american_scientific_journal-5341	113	58	91	91	NUM
american_scientific_journal-5341	113	59	88	88	NUM
american_scientific_journal-5341	113	60	figure	figure	NOUN
american_scientific_journal-5341	113	61	14	14	NUM
american_scientific_journal-5341	113	62	:	:	PUNCT
american_scientific_journal-5341	113	63	shielding	shield	VERB
american_scientific_journal-5341	113	64	density	density	NOUN
american_scientific_journal-5341	113	65	as	as	SCONJ
american_scientific_journal-5341	113	66	seen	see	VERB
american_scientific_journal-5341	113	67	by	by	ADP
american_scientific_journal-5341	113	68	nucleus	nucleus	PROPN
american_scientific_journal-5341	113	69	c-32	c-32	PROPN
american_scientific_journal-5341	113	70	in	in	ADP
american_scientific_journal-5341	113	71	the	the	DET
american_scientific_journal-5341	113	72	xx	xx	NUM
american_scientific_journal-5341	113	73	direction	direction	NOUN
american_scientific_journal-5341	113	74	mapped	map	VERB
american_scientific_journal-5341	113	75	between	between	ADP
american_scientific_journal-5341	113	76	the	the	DET
american_scientific_journal-5341	113	77	values	value	NOUN
american_scientific_journal-5341	113	78	of	of	ADP
american_scientific_journal-5341	113	79	-2.631	-2.631	NOUN
american_scientific_journal-5341	113	80	to	to	ADP
american_scientific_journal-5341	113	81	2.631on	2.631on	NUM
american_scientific_journal-5341	113	82	the	the	DET
american_scientific_journal-5341	113	83	current	current	ADJ
american_scientific_journal-5341	113	84	density	density	NOUN
american_scientific_journal-5341	113	85	isosurface	isosurface	NOUN
american_scientific_journal-5341	113	86	at	at	ADP
american_scientific_journal-5341	113	87	a	a	DET
american_scientific_journal-5341	113	88	value	value	NOUN
american_scientific_journal-5341	113	89	of	of	ADP
american_scientific_journal-5341	113	90	0.0004	0.0004	NUM
american_scientific_journal-5341	113	91	.	.	PUNCT
american_scientific_journal-5341	114	1	figure	figure	NOUN
american_scientific_journal-5341	114	2	15	15	NUM
american_scientific_journal-5341	114	3	:	:	PUNCT
american_scientific_journal-5341	114	4	shielding	shielding	NOUN
american_scientific_journal-5341	114	5	density	density	NOUN
american_scientific_journal-5341	114	6	as	as	SCONJ
american_scientific_journal-5341	114	7	seen	see	VERB
american_scientific_journal-5341	114	8	by	by	ADP
american_scientific_journal-5341	114	9	nucleus	nucleus	PROPN
american_scientific_journal-5341	114	10	h-34	h-34	PROPN
american_scientific_journal-5341	114	11	in	in	ADP
american_scientific_journal-5341	114	12	the	the	DET
american_scientific_journal-5341	114	13	xx	xx	NUM
american_scientific_journal-5341	114	14	direction	direction	NOUN
american_scientific_journal-5341	114	15	mapped	map	VERB
american_scientific_journal-5341	114	16	between	between	ADP
american_scientific_journal-5341	114	17	the	the	DET
american_scientific_journal-5341	114	18	values	value	NOUN
american_scientific_journal-5341	114	19	of	of	ADP
american_scientific_journal-5341	114	20	-2.631	-2.631	NOUN
american_scientific_journal-5341	114	21	to	to	ADP
american_scientific_journal-5341	114	22	2.631on	2.631on	NUM
american_scientific_journal-5341	114	23	the	the	DET
american_scientific_journal-5341	114	24	current	current	ADJ
american_scientific_journal-5341	114	25	density	density	NOUN
american_scientific_journal-5341	114	26	isosurface	isosurface	NOUN
american_scientific_journal-5341	114	27	at	at	ADP
american_scientific_journal-5341	114	28	a	a	DET
american_scientific_journal-5341	114	29	value	value	NOUN
american_scientific_journal-5341	114	30	of	of	ADP
american_scientific_journal-5341	114	31	0.0004	0.0004	NUM
american_scientific_journal-5341	114	32	.	.	PUNCT
american_scientific_journal-5341	115	1	4	4	NUM
american_scientific_journal-5341	115	2	.	.	X
american_scientific_journal-5341	115	3	conclusion	conclusion	NOUN
american_scientific_journal-5341	115	4	in	in	ADP
american_scientific_journal-5341	115	5	the	the	DET
american_scientific_journal-5341	115	6	present	present	ADJ
american_scientific_journal-5341	115	7	work	work	NOUN
american_scientific_journal-5341	115	8	,	,	PUNCT
american_scientific_journal-5341	115	9	the	the	DET
american_scientific_journal-5341	115	10	b3lyp/	b3lyp/	NOUN
american_scientific_journal-5341	115	11	6	6	NUM
american_scientific_journal-5341	115	12	-	-	SYM
american_scientific_journal-5341	115	13	311	311	NUM
american_scientific_journal-5341	115	14	g	g	NOUN
american_scientific_journal-5341	115	15	(	(	PUNCT
american_scientific_journal-5341	115	16	d	d	PROPN
american_scientific_journal-5341	115	17	,	,	PUNCT
american_scientific_journal-5341	115	18	p	p	NOUN
american_scientific_journal-5341	115	19	)	)	PUNCT
american_scientific_journal-5341	115	20	model	model	NOUN
american_scientific_journal-5341	115	21	within	within	ADP
american_scientific_journal-5341	115	22	the	the	DET
american_scientific_journal-5341	115	23	dft	dft	NOUN
american_scientific_journal-5341	115	24	is	be	AUX
american_scientific_journal-5341	115	25	used	use	VERB
american_scientific_journal-5341	115	26	to	to	PART
american_scientific_journal-5341	115	27	optimize	optimize	VERB
american_scientific_journal-5341	115	28	the	the	DET
american_scientific_journal-5341	115	29	structure	structure	NOUN
american_scientific_journal-5341	115	30	of	of	ADP
american_scientific_journal-5341	115	31	5oxo-1	5oxo-1	NUM
american_scientific_journal-5341	115	32	-	-	PUNCT
american_scientific_journal-5341	115	33	phenyl-4-(2	phenyl-4-(2	NOUN
american_scientific_journal-5341	115	34	-	-	PUNCT
american_scientific_journal-5341	115	35	phenylhydrazono)-4,5	phenylhydrazono)-4,5	NOUN
american_scientific_journal-5341	115	36	-	-	PUNCT
american_scientific_journal-5341	115	37	dihydro-1h	dihydro-1h	NOUN
american_scientific_journal-5341	115	38	-	-	PUNCT
american_scientific_journal-5341	115	39	pyrazol-3	pyrazol-3	ADV
american_scientific_journal-5341	115	40	-	-	PUNCT
american_scientific_journal-5341	115	41	yl)-1h	yl)-1h	PROPN
american_scientific_journal-5341	115	42	-	-	PUNCT
american_scientific_journal-5341	115	43	pyrazole-3	pyrazole-3	NOUN
american_scientific_journal-5341	115	44	-	-	NOUN
american_scientific_journal-5341	115	45	carbaldehyde	carbaldehyde	NOUN
american_scientific_journal-5341	115	46	and	and	CCONJ
american_scientific_journal-5341	115	47	predict	predict	VERB
american_scientific_journal-5341	115	48	the	the	DET
american_scientific_journal-5341	115	49	american	american	ADJ
american_scientific_journal-5341	115	50	scientific	scientific	ADJ
american_scientific_journal-5341	115	51	research	research	PROPN
american_scientific_journal-5341	115	52	journal	journal	NOUN
american_scientific_journal-5341	115	53	for	for	ADP
american_scientific_journal-5341	115	54	engineering	engineering	NOUN
american_scientific_journal-5341	115	55	,	,	PUNCT
american_scientific_journal-5341	115	56	technology	technology	NOUN
american_scientific_journal-5341	115	57	,	,	PUNCT
american_scientific_journal-5341	115	58	and	and	CCONJ
american_scientific_journal-5341	115	59	sciences	science	NOUN
american_scientific_journal-5341	115	60	(	(	PUNCT
american_scientific_journal-5341	115	61	asrjets	asrjet	NOUN
american_scientific_journal-5341	115	62	)	)	PUNCT
american_scientific_journal-5341	115	63	(	(	PUNCT
american_scientific_journal-5341	115	64	2019	2019	NUM
american_scientific_journal-5341	115	65	)	)	PUNCT
american_scientific_journal-5341	115	66	volume	volume	NOUN
american_scientific_journal-5341	115	67	61	61	NUM
american_scientific_journal-5341	115	68	,	,	PUNCT
american_scientific_journal-5341	115	69	no	no	DET
american_scientific_journal-5341	115	70	1	1	NUM
american_scientific_journal-5341	115	71	,	,	PUNCT
american_scientific_journal-5341	115	72	pp	pp	ADV
american_scientific_journal-5341	115	73	75	75	NUM
american_scientific_journal-5341	115	74	-	-	SYM
american_scientific_journal-5341	115	75	91	91	NUM
american_scientific_journal-5341	115	76	89	89	NUM
american_scientific_journal-5341	115	77	structure	structure	NOUN
american_scientific_journal-5341	115	78	-	-	PUNCT
american_scientific_journal-5341	115	79	properties	property	NOUN
american_scientific_journal-5341	115	80	relationships	relationship	NOUN
american_scientific_journal-5341	115	81	.	.	PUNCT
american_scientific_journal-5341	116	1	reactivity	reactivity	NOUN
american_scientific_journal-5341	116	2	parameters	parameter	NOUN
american_scientific_journal-5341	116	3	calculated	calculate	VERB
american_scientific_journal-5341	116	4	from	from	ADP
american_scientific_journal-5341	116	5	the	the	DET
american_scientific_journal-5341	116	6	frontier	frontier	NOUN
american_scientific_journal-5341	116	7	orbitals	orbital	NOUN
american_scientific_journal-5341	116	8	help	help	VERB
american_scientific_journal-5341	116	9	in	in	ADP
american_scientific_journal-5341	116	10	prediction	prediction	NOUN
american_scientific_journal-5341	116	11	of	of	ADP
american_scientific_journal-5341	116	12	chemical	chemical	NOUN
american_scientific_journal-5341	116	13	potential	potential	NOUN
american_scientific_journal-5341	116	14	,	,	PUNCT
american_scientific_journal-5341	116	15	hardness	hardness	NOUN
american_scientific_journal-5341	116	16	,	,	PUNCT
american_scientific_journal-5341	116	17	softness	softness	NOUN
american_scientific_journal-5341	116	18	,	,	PUNCT
american_scientific_journal-5341	116	19	electrophilicity	electrophilicity	NOUN
american_scientific_journal-5341	116	20	as	as	ADV
american_scientific_journal-5341	116	21	well	well	ADV
american_scientific_journal-5341	116	22	as	as	ADP
american_scientific_journal-5341	116	23	nucleophilicity	nucleophilicity	NOUN
american_scientific_journal-5341	116	24	of	of	ADP
american_scientific_journal-5341	116	25	the	the	DET
american_scientific_journal-5341	116	26	pyrazol	pyrazol	NOUN
american_scientific_journal-5341	116	27	-	-	PUNCT
american_scientific_journal-5341	116	28	carbaldehyde	carbaldehyde	NOUN
american_scientific_journal-5341	116	29	molecule	molecule	NOUN
american_scientific_journal-5341	116	30	.	.	PUNCT
american_scientific_journal-5341	117	1	moreover	moreover	ADV
american_scientific_journal-5341	117	2	,	,	PUNCT
american_scientific_journal-5341	117	3	thermodynamic	thermodynamic	ADJ
american_scientific_journal-5341	117	4	parameters	parameter	NOUN
american_scientific_journal-5341	117	5	verify	verify	VERB
american_scientific_journal-5341	117	6	the	the	DET
american_scientific_journal-5341	117	7	conclusions	conclusion	NOUN
american_scientific_journal-5341	117	8	drawn	draw	VERB
american_scientific_journal-5341	117	9	from	from	ADP
american_scientific_journal-5341	117	10	the	the	DET
american_scientific_journal-5341	117	11	molecular	molecular	ADJ
american_scientific_journal-5341	117	12	polarity	polarity	NOUN
american_scientific_journal-5341	117	13	.	.	PUNCT
american_scientific_journal-5341	118	1	computed	compute	VERB
american_scientific_journal-5341	118	2	and	and	CCONJ
american_scientific_journal-5341	118	3	visualized	visualize	VERB
american_scientific_journal-5341	118	4	mesp	mesp	ADJ
american_scientific_journal-5341	118	5	map	map	NOUN
american_scientific_journal-5341	118	6	surfaces	surface	NOUN
american_scientific_journal-5341	118	7	enable	enable	VERB
american_scientific_journal-5341	118	8	exploration	exploration	NOUN
american_scientific_journal-5341	118	9	of	of	ADP
american_scientific_journal-5341	118	10	molecular	molecular	ADJ
american_scientific_journal-5341	118	11	reactive	reactive	ADJ
american_scientific_journal-5341	118	12	sites	site	NOUN
american_scientific_journal-5341	118	13	(	(	PUNCT
american_scientific_journal-5341	118	14	hydrazone	hydrazone	NOUN
american_scientific_journal-5341	118	15	moiety	moiety	NOUN
american_scientific_journal-5341	118	16	and	and	CCONJ
american_scientific_journal-5341	118	17	the	the	DET
american_scientific_journal-5341	118	18	aldehyde	aldehyde	NOUN
american_scientific_journal-5341	118	19	group	group	NOUN
american_scientific_journal-5341	118	20	)	)	PUNCT
american_scientific_journal-5341	118	21	,	,	PUNCT
american_scientific_journal-5341	118	22	which	which	PRON
american_scientific_journal-5341	118	23	confirmed	confirm	VERB
american_scientific_journal-5341	118	24	by	by	ADP
american_scientific_journal-5341	118	25	mapping	mapping	NOUN
american_scientific_journal-5341	118	26	of	of	ADP
american_scientific_journal-5341	118	27	shielding	shielding	NOUN
american_scientific_journal-5341	118	28	density	density	NOUN
american_scientific_journal-5341	118	29	by	by	ADP
american_scientific_journal-5341	118	30	nuclei	nucleus	NOUN
american_scientific_journal-5341	118	31	h-31	h-31	NOUN
american_scientific_journal-5341	118	32	,	,	PUNCT
american_scientific_journal-5341	118	33	c-31	c-31	NOUN
american_scientific_journal-5341	118	34	,	,	PUNCT
american_scientific_journal-5341	118	35	h-34	h-34	PROPN
american_scientific_journal-5341	118	36	in	in	ADP
american_scientific_journal-5341	118	37	the	the	DET
american_scientific_journal-5341	118	38	xx	xx	NUM
american_scientific_journal-5341	118	39	direction	direction	NOUN
american_scientific_journal-5341	118	40	mapped	map	VERB
american_scientific_journal-5341	118	41	on	on	ADP
american_scientific_journal-5341	118	42	the	the	DET
american_scientific_journal-5341	118	43	current	current	ADJ
american_scientific_journal-5341	118	44	density	density	NOUN
american_scientific_journal-5341	118	45	.	.	PUNCT
american_scientific_journal-5341	119	1	references	reference	NOUN
american_scientific_journal-5341	119	2	[	[	X
american_scientific_journal-5341	119	3	1	1	NUM
american_scientific_journal-5341	119	4	]	]	PUNCT
american_scientific_journal-5341	119	5	.	.	PUNCT
american_scientific_journal-5341	120	1	w.j	w.j	PROPN
american_scientific_journal-5341	120	2	.	.	PROPN
american_scientific_journal-5341	120	3	hehre	hehre	PROPN
american_scientific_journal-5341	120	4	,	,	PUNCT
american_scientific_journal-5341	120	5	l.	l.	PROPN
american_scientific_journal-5341	120	6	radom	radom	PROPN
american_scientific_journal-5341	120	7	,	,	PUNCT
american_scientific_journal-5341	121	1	p.	p.	NOUN
american_scientific_journal-5341	121	2	v.	v.	PROPN
american_scientific_journal-5341	121	3	r.	r.	PROPN
american_scientific_journal-5341	121	4	schleyer	schleyer	PROPN
american_scientific_journal-5341	121	5	,	,	PUNCT
american_scientific_journal-5341	121	6	j.	j.	PROPN
american_scientific_journal-5341	121	7	a.	a.	NOUN
american_scientific_journal-5341	121	8	pople	pople	PROPN
american_scientific_journal-5341	121	9	.	.	PUNCT
american_scientific_journal-5341	122	1	ab	ab	PROPN
american_scientific_journal-5341	122	2	initio	initio	PROPN
american_scientific_journal-5341	122	3	molecular	molecular	ADJ
american_scientific_journal-5341	122	4	orbital	orbital	ADJ
american_scientific_journal-5341	122	5	theory	theory	NOUN
american_scientific_journal-5341	122	6	.	.	PUNCT
american_scientific_journal-5341	123	1	new	new	PROPN
american_scientific_journal-5341	123	2	york	york	PROPN
american_scientific_journal-5341	123	3	,	,	PUNCT
american_scientific_journal-5341	123	4	ny	ny	PROPN
american_scientific_journal-5341	123	5	,	,	PUNCT
american_scientific_journal-5341	123	6	usa	usa	PROPN
american_scientific_journal-5341	123	7	:	:	PUNCT
american_scientific_journal-5341	123	8	john	john	PROPN
american_scientific_journal-5341	123	9	wiley	wiley	PROPN
american_scientific_journal-5341	123	10	,	,	PUNCT
american_scientific_journal-5341	123	11	1986	1986	NUM
american_scientific_journal-5341	123	12	.	.	PUNCT
american_scientific_journal-5341	124	1	https://doi.org/10.1002/jcc.540070314	https://doi.org/10.1002/jcc.540070314	NOUN
american_scientific_journal-5341	125	1	[	[	X
american_scientific_journal-5341	125	2	2	2	NUM
american_scientific_journal-5341	125	3	]	]	PUNCT
american_scientific_journal-5341	125	4	.	.	PUNCT
american_scientific_journal-5341	126	1	p.	p.	NOUN
american_scientific_journal-5341	126	2	hohenberg	hohenberg	PROPN
american_scientific_journal-5341	126	3	,	,	PUNCT
american_scientific_journal-5341	126	4	w.	w.	PROPN
american_scientific_journal-5341	126	5	kohn	kohn	PROPN
american_scientific_journal-5341	126	6	.	.	PUNCT
american_scientific_journal-5341	127	1	"	"	PUNCT
american_scientific_journal-5341	127	2	in	in	ADP
american_scientific_journal-5341	127	3	homogeneous	homogeneous	ADJ
american_scientific_journal-5341	127	4	electron	electron	NOUN
american_scientific_journal-5341	127	5	gas	gas	NOUN
american_scientific_journal-5341	127	6	"	"	PUNCT
american_scientific_journal-5341	127	7	.	.	PUNCT
american_scientific_journal-5341	128	1	phys	phy	NOUN
american_scientific_journal-5341	128	2	.	.	PUNCT
american_scientific_journal-5341	129	1	rev	rev	PROPN
american_scientific_journal-5341	129	2	.	.	PROPN
american_scientific_journal-5341	129	3	,	,	PUNCT
american_scientific_journal-5341	129	4	136	136	NUM
american_scientific_journal-5341	129	5	,	,	PUNCT
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american_scientific_journal-5341	129	7	–	–	PUNCT
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american_scientific_journal-5341	129	10	[	[	X
american_scientific_journal-5341	129	11	3	3	NUM
american_scientific_journal-5341	129	12	]	]	PUNCT
american_scientific_journal-5341	129	13	.	.	PUNCT
american_scientific_journal-5341	130	1	r.	r.	PROPN
american_scientific_journal-5341	130	2	g.	g.	PROPN
american_scientific_journal-5341	130	3	parr	parr	PROPN
american_scientific_journal-5341	130	4	,	,	PUNCT
american_scientific_journal-5341	130	5	w.	w.	PROPN
american_scientific_journal-5341	130	6	yang	yang	PROPN
american_scientific_journal-5341	130	7	.	.	PUNCT
american_scientific_journal-5341	131	1	density	density	PROPN
american_scientific_journal-5341	131	2	functional	functional	ADJ
american_scientific_journal-5341	131	3	theory	theory	NOUN
american_scientific_journal-5341	131	4	of	of	ADP
american_scientific_journal-5341	131	5	atoms	atom	NOUN
american_scientific_journal-5341	131	6	and	and	CCONJ
american_scientific_journal-5341	131	7	molecules	molecule	NOUN
american_scientific_journal-5341	131	8	.	.	PUNCT
american_scientific_journal-5341	132	1	oxford	oxford	PROPN
american_scientific_journal-5341	132	2	,	,	PUNCT
american_scientific_journal-5341	132	3	new	new	PROPN
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american_scientific_journal-5341	132	5	.	.	PUNCT
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american_scientific_journal-5341	132	7	.	.	PUNCT
american_scientific_journal-5341	133	1	[	[	X
american_scientific_journal-5341	133	2	4	4	NUM
american_scientific_journal-5341	133	3	]	]	PUNCT
american_scientific_journal-5341	133	4	.	.	PUNCT
american_scientific_journal-5341	133	5	a.	a.	PROPN
american_scientific_journal-5341	133	6	szabo	szabo	PROPN
american_scientific_journal-5341	133	7	,	,	PUNCT
american_scientific_journal-5341	133	8	n.s	n.s	PROPN
american_scientific_journal-5341	133	9	.	.	PROPN
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american_scientific_journal-5341	133	11	.	.	PUNCT
american_scientific_journal-5341	134	1	modern	modern	ADJ
american_scientific_journal-5341	134	2	quantum	quantum	ADJ
american_scientific_journal-5341	134	3	chemistry	chemistry	NOUN
american_scientific_journal-5341	134	4	.	.	PUNCT
american_scientific_journal-5341	135	1	mcgraw	mcgraw	PROPN
american_scientific_journal-5341	135	2	-	-	PUNCT
american_scientific_journal-5341	135	3	hill	hill	PROPN
american_scientific_journal-5341	135	4	,	,	PUNCT
american_scientific_journal-5341	135	5	new	new	PROPN
american_scientific_journal-5341	135	6	york	york	PROPN
american_scientific_journal-5341	135	7	.	.	PUNCT
american_scientific_journal-5341	135	8	1989	1989	NUM
american_scientific_journal-5341	135	9	.	.	PUNCT
american_scientific_journal-5341	136	1	[	[	X
american_scientific_journal-5341	136	2	5	5	NUM
american_scientific_journal-5341	136	3	]	]	PUNCT
american_scientific_journal-5341	136	4	.	.	PUNCT
american_scientific_journal-5341	137	1	dreizler	dreizler	PROPN
american_scientific_journal-5341	137	2	r.	r.	PROPN
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american_scientific_journal-5341	137	4	,	,	PUNCT
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american_scientific_journal-5341	137	6	.	.	PUNCT
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american_scientific_journal-5341	137	9	theory	theory	NOUN
american_scientific_journal-5341	137	10	.	.	PUNCT
american_scientific_journal-5341	138	1	new	new	PROPN
american_scientific_journal-5341	138	2	york	york	PROPN
american_scientific_journal-5341	138	3	:	:	PUNCT
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american_scientific_journal-5341	138	5	,	,	PUNCT
american_scientific_journal-5341	138	6	1990	1990	NUM
american_scientific_journal-5341	138	7	.	.	PUNCT
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american_scientific_journal-5341	139	2	6	6	NUM
american_scientific_journal-5341	139	3	]	]	PUNCT
american_scientific_journal-5341	139	4	.	.	PUNCT
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american_scientific_journal-5341	140	2	.	.	PUNCT
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american_scientific_journal-5341	141	2	,	,	PUNCT
american_scientific_journal-5341	141	3	a.	a.	PROPN
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american_scientific_journal-5341	141	5	.	.	PUNCT
american_scientific_journal-5341	142	1	exploring	explore	VERB
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american_scientific_journal-5341	142	4	electronic	electronic	ADJ
american_scientific_journal-5341	142	5	structure	structure	NOUN
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american_scientific_journal-5341	142	7	.	.	PUNCT
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american_scientific_journal-5341	143	2	,	,	PUNCT
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american_scientific_journal-5341	143	4	,	,	PUNCT
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american_scientific_journal-5341	143	6	.	.	PROPN
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american_scientific_journal-5341	143	8	.	.	PUNCT
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american_scientific_journal-5341	144	2	7	7	NUM
american_scientific_journal-5341	144	3	]	]	PUNCT
american_scientific_journal-5341	144	4	.	.	PUNCT
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american_scientific_journal-5341	144	7	.	.	PUNCT
american_scientific_journal-5341	145	1	density	density	NOUN
american_scientific_journal-5341	145	2	functional	functional	ADJ
american_scientific_journal-5341	145	3	methods	method	NOUN
american_scientific_journal-5341	145	4	in	in	ADP
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american_scientific_journal-5341	145	6	and	and	CCONJ
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american_scientific_journal-5341	145	9	.	.	PUNCT
american_scientific_journal-5341	146	1	new	new	PROPN
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american_scientific_journal-5341	146	3	:	:	PUNCT
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american_scientific_journal-5341	146	5	,	,	PUNCT
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american_scientific_journal-5341	147	3	]	]	PUNCT
american_scientific_journal-5341	147	4	.	.	PUNCT
american_scientific_journal-5341	148	1	i.	i.	PROPN
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american_scientific_journal-5341	148	3	.	.	PUNCT
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american_scientific_journal-5341	148	6	and	and	CCONJ
american_scientific_journal-5341	148	7	organic	organic	ADJ
american_scientific_journal-5341	148	8	chemical	chemical	NOUN
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american_scientific_journal-5341	148	10	.	.	PUNCT
american_scientific_journal-5341	149	1	new	new	PROPN
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american_scientific_journal-5341	149	3	,	,	PUNCT
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american_scientific_journal-5341	149	5	,	,	PUNCT
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american_scientific_journal-5341	149	7	:	:	PUNCT
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american_scientific_journal-5341	149	12	,	,	PUNCT
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american_scientific_journal-5341	149	14	.	.	PUNCT
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american_scientific_journal-5341	150	3	]	]	PUNCT
american_scientific_journal-5341	150	4	.	.	PUNCT
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american_scientific_journal-5341	151	3	,	,	PUNCT
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american_scientific_journal-5341	151	7	,	,	PUNCT
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american_scientific_journal-5341	151	10	.	.	PUNCT
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american_scientific_journal-5341	152	6	"	"	PUNCT
american_scientific_journal-5341	152	7	.	.	PUNCT
american_scientific_journal-5341	153	1	chemical	chemical	ADJ
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american_scientific_journal-5341	153	3	.	.	PUNCT
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american_scientific_journal-5341	154	2	.	.	PUNCT
american_scientific_journal-5341	155	1	103(5),pp.1793–1873	103(5),pp.1793–1873	NUM
american_scientific_journal-5341	155	2	,	,	PUNCT
american_scientific_journal-5341	155	3	2003	2003	NUM
american_scientific_journal-5341	155	4	.	.	PUNCT
american_scientific_journal-5341	156	1	https://doi.org/10.1021/cr990029p	https://doi.org/10.1021/cr990029p	PROPN
american_scientific_journal-5341	157	1	[	[	X
american_scientific_journal-5341	157	2	10	10	NUM
american_scientific_journal-5341	157	3	]	]	PUNCT
american_scientific_journal-5341	157	4	.	.	PUNCT
american_scientific_journal-5341	157	5	m.	m.	PROPN
american_scientific_journal-5341	157	6	cossi	cossi	PROPN
american_scientific_journal-5341	157	7	,	,	PUNCT
american_scientific_journal-5341	157	8	n.	n.	PROPN
american_scientific_journal-5341	157	9	rega	rega	PROPN
american_scientific_journal-5341	157	10	,	,	PUNCT
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american_scientific_journal-5341	157	12	scalmani	scalmani	PROPN
american_scientific_journal-5341	157	13	,	,	PUNCT
american_scientific_journal-5341	157	14	v.	v.	X
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american_scientific_journal-5341	157	16	.	.	PUNCT
american_scientific_journal-5341	158	1	"	"	PUNCT
american_scientific_journal-5341	158	2	energies	energy	NOUN
american_scientific_journal-5341	158	3	,	,	PUNCT
american_scientific_journal-5341	158	4	structures	structure	NOUN
american_scientific_journal-5341	158	5	,	,	PUNCT
american_scientific_journal-5341	158	6	and	and	CCONJ
american_scientific_journal-5341	158	7	electronic	electronic	ADJ
american_scientific_journal-5341	158	8	properties	property	NOUN
american_scientific_journal-5341	158	9	of	of	ADP
american_scientific_journal-5341	158	10	molecules	molecule	NOUN
american_scientific_journal-5341	158	11	in	in	ADP
american_scientific_journal-5341	158	12	solution	solution	NOUN
american_scientific_journal-5341	158	13	with	with	ADP
american_scientific_journal-5341	158	14	the	the	DET
american_scientific_journal-5341	158	15	c	c	NOUN
american_scientific_journal-5341	158	16	-	-	PUNCT
american_scientific_journal-5341	158	17	pcm	pcm	ADJ
american_scientific_journal-5341	158	18	solvation	solvation	NOUN
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american_scientific_journal-5341	158	20	"	"	PUNCT
american_scientific_journal-5341	158	21	.	.	PUNCT
american_scientific_journal-5341	159	1	journal	journal	PROPN
american_scientific_journal-5341	159	2	of	of	ADP
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american_scientific_journal-5341	159	5	,	,	PUNCT
american_scientific_journal-5341	159	6	24(6	24(6	NUM
american_scientific_journal-5341	159	7	)	)	PUNCT
american_scientific_journal-5341	159	8	,	,	PUNCT
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american_scientific_journal-5341	159	10	,	,	PUNCT
american_scientific_journal-5341	159	11	2003	2003	NUM
american_scientific_journal-5341	159	12	.	.	PUNCT
american_scientific_journal-5341	160	1	https://doi.org/10.1002/jcc.10189	https://doi.org/10.1002/jcc.10189	PROPN
american_scientific_journal-5341	161	1	[	[	X
american_scientific_journal-5341	161	2	11	11	NUM
american_scientific_journal-5341	161	3	]	]	PUNCT
american_scientific_journal-5341	161	4	.	.	PUNCT
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american_scientific_journal-5341	162	2	.	.	PROPN
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american_scientific_journal-5341	162	4	,	,	PUNCT
american_scientific_journal-5341	162	5	e.	e.	PROPN
american_scientific_journal-5341	162	6	chamorro	chamorro	PROPN
american_scientific_journal-5341	162	7	,	,	PUNCT
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american_scientific_journal-5341	162	10	.	.	PUNCT
american_scientific_journal-5341	163	1	"	"	PUNCT
american_scientific_journal-5341	163	2	understanding	understand	VERB
american_scientific_journal-5341	163	3	the	the	DET
american_scientific_journal-5341	163	4	reactivity	reactivity	NOUN
american_scientific_journal-5341	163	5	of	of	ADP
american_scientific_journal-5341	163	6	captodative	captodative	ADJ
american_scientific_journal-5341	163	7	ethylenes	ethylene	NOUN
american_scientific_journal-5341	163	8	in	in	ADP
american_scientific_journal-5341	163	9	polar	polar	ADJ
american_scientific_journal-5341	163	10	cycloaddition	cycloaddition	NOUN
american_scientific_journal-5341	163	11	reactions	reaction	NOUN
american_scientific_journal-5341	163	12	.	.	PUNCT
american_scientific_journal-5341	164	1	a	a	DET
american_scientific_journal-5341	164	2	theoretical	theoretical	ADJ
american_scientific_journal-5341	164	3	study	study	NOUN
american_scientific_journal-5341	164	4	"	"	PUNCT
american_scientific_journal-5341	164	5	.	.	PUNCT
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american_scientific_journal-5341	165	2	of	of	ADP
american_scientific_journal-5341	165	3	organic	organic	ADJ
american_scientific_journal-5341	165	4	chemistry	chemistry	NOUN
american_scientific_journal-5341	165	5	,	,	PUNCT
american_scientific_journal-5341	165	6	73	73	NUM
american_scientific_journal-5341	165	7	,	,	PUNCT
american_scientific_journal-5341	165	8	4615–4624	4615–4624	NUM
american_scientific_journal-5341	165	9	,	,	PUNCT
american_scientific_journal-5341	165	10	2008	2008	NUM
american_scientific_journal-5341	165	11	.	.	PUNCT
american_scientific_journal-5341	166	1	https://doi.org/10.1021/jo800572a	https://doi.org/10.1021/jo800572a	PROPN
american_scientific_journal-5341	167	1	[	[	X
american_scientific_journal-5341	167	2	12	12	NUM
american_scientific_journal-5341	167	3	]	]	PUNCT
american_scientific_journal-5341	167	4	.	.	PUNCT
american_scientific_journal-5341	168	1	f.	f.	PROPN
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american_scientific_journal-5341	168	3	,	,	PUNCT
american_scientific_journal-5341	168	4	v.	v.	PROPN
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american_scientific_journal-5341	168	6	,	,	PUNCT
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american_scientific_journal-5341	168	9	.	.	PUNCT
american_scientific_journal-5341	169	1	"	"	PUNCT
american_scientific_journal-5341	169	2	condensed	condense	VERB
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american_scientific_journal-5341	169	4	for	for	ADP
american_scientific_journal-5341	169	5	reactivity	reactivity	NOUN
american_scientific_journal-5341	169	6	:	:	PUNCT
american_scientific_journal-5341	169	7	a	a	DET
american_scientific_journal-5341	169	8	methodological	methodological	ADJ
american_scientific_journal-5341	169	9	study	study	NOUN
american_scientific_journal-5341	169	10	"	"	PUNCT
american_scientific_journal-5341	169	11	.	.	PUNCT
american_scientific_journal-5341	170	1	chemical	chemical	PROPN
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american_scientific_journal-5341	170	3	letters	letter	NOUN
american_scientific_journal-5341	170	4	.	.	PUNCT
american_scientific_journal-5341	171	1	,	,	PUNCT
american_scientific_journal-5341	171	2	527	527	NUM
american_scientific_journal-5341	171	3	,	,	PUNCT
american_scientific_journal-5341	171	4	67–72	67–72	NUM
american_scientific_journal-5341	171	5	,	,	PUNCT
american_scientific_journal-5341	171	6	2012	2012	NUM
american_scientific_journal-5341	171	7	.	.	PUNCT
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american_scientific_journal-5341	172	2	13	13	NUM
american_scientific_journal-5341	172	3	]	]	PUNCT
american_scientific_journal-5341	172	4	.	.	PUNCT
american_scientific_journal-5341	173	1	l.r	l.r	PROPN
american_scientific_journal-5341	173	2	.	.	PROPN
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american_scientific_journal-5341	173	4	.	.	PUNCT
american_scientific_journal-5341	174	1	"	"	PUNCT
american_scientific_journal-5341	174	2	a	a	DET
american_scientific_journal-5341	174	3	new	new	ADJ
american_scientific_journal-5341	174	4	c	c	NOUN
american_scientific_journal-5341	174	5	–	–	PUNCT
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american_scientific_journal-5341	174	8	formation	formation	NOUN
american_scientific_journal-5341	174	9	model	model	NOUN
american_scientific_journal-5341	174	10	based	base	VERB
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american_scientific_journal-5341	174	13	quantum	quantum	ADJ
american_scientific_journal-5341	174	14	chemical	chemical	NOUN
american_scientific_journal-5341	174	15	topology	topology	NOUN
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american_scientific_journal-5341	174	17	electron	electron	NOUN
american_scientific_journal-5341	174	18	density	density	NOUN
american_scientific_journal-5341	174	19	"	"	PUNCT
american_scientific_journal-5341	174	20	.	.	PUNCT
american_scientific_journal-5341	175	1	rsc	rsc	PROPN
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american_scientific_journal-5341	175	3	.	.	PUNCT
american_scientific_journal-5341	175	4	,	,	PUNCT
american_scientific_journal-5341	175	5	4(61	4(61	NUM
american_scientific_journal-5341	175	6	)	)	PUNCT
american_scientific_journal-5341	175	7	,	,	PUNCT
american_scientific_journal-5341	175	8	32415–32428	32415–32428	NUM
american_scientific_journal-5341	175	9	,	,	PUNCT
american_scientific_journal-5341	175	10	2014	2014	NUM
american_scientific_journal-5341	175	11	.	.	PUNCT
american_scientific_journal-5341	176	1	[	[	X
american_scientific_journal-5341	176	2	14	14	NUM
american_scientific_journal-5341	176	3	]	]	SYM
american_scientific_journal-5341	176	4	.	.	PUNCT
american_scientific_journal-5341	177	1	l.r	l.r	PROPN
american_scientific_journal-5341	177	2	.	.	PROPN
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american_scientific_journal-5341	177	4	,	,	PUNCT
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american_scientific_journal-5341	177	6	ríos	ríos	PROPN
american_scientific_journal-5341	177	7	-	-	PUNCT
american_scientific_journal-5341	177	8	gutiérrez	gutiérrez	NOUN
american_scientific_journal-5341	177	9	,	,	PUNCT
american_scientific_journal-5341	177	10	p.	p.	NOUN
american_scientific_journal-5341	177	11	pérez	pérez	NOUN
american_scientific_journal-5341	177	12	.	.	PUNCT
american_scientific_journal-5341	178	1	"	"	PUNCT
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american_scientific_journal-5341	178	3	of	of	ADP
american_scientific_journal-5341	178	4	the	the	DET
american_scientific_journal-5341	178	5	conceptual	conceptual	ADJ
american_scientific_journal-5341	178	6	density	density	NOUN
american_scientific_journal-5341	178	7	functional	functional	ADJ
american_scientific_journal-5341	178	8	theory	theory	NOUN
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american_scientific_journal-5341	178	10	to	to	ADP
american_scientific_journal-5341	178	11	organic	organic	ADJ
american_scientific_journal-5341	178	12	chemistry	chemistry	NOUN
american_scientific_journal-5341	178	13	reactivity	reactivity	NOUN
american_scientific_journal-5341	178	14	'	'	PUNCT
american_scientific_journal-5341	178	15	.	.	PUNCT
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american_scientific_journal-5341	179	2	,	,	PUNCT
american_scientific_journal-5341	179	3	21(6),748	21(6),748	NOUN
american_scientific_journal-5341	179	4	-	-	SYM
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american_scientific_journal-5341	179	6	,	,	PUNCT
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american_scientific_journal-5341	179	8	.	.	PUNCT
american_scientific_journal-5341	180	1	[	[	X
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american_scientific_journal-5341	180	3	]	]	PUNCT
american_scientific_journal-5341	180	4	.	.	PUNCT
american_scientific_journal-5341	181	1	l.r	l.r	PROPN
american_scientific_journal-5341	181	2	.	.	PROPN
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american_scientific_journal-5341	181	4	.	.	PUNCT
american_scientific_journal-5341	182	1	"	"	PUNCT
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american_scientific_journal-5341	182	3	electron	electron	NOUN
american_scientific_journal-5341	182	4	density	density	NOUN
american_scientific_journal-5341	182	5	theory	theory	NOUN
american_scientific_journal-5341	182	6	:	:	PUNCT
american_scientific_journal-5341	182	7	a	a	DET
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american_scientific_journal-5341	182	10	of	of	ADP
american_scientific_journal-5341	182	11	reactivity	reactivity	NOUN
american_scientific_journal-5341	182	12	in	in	ADP
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american_scientific_journal-5341	182	14	chemistry	chemistry	NOUN
american_scientific_journal-5341	182	15	"	"	PUNCT
american_scientific_journal-5341	182	16	.	.	PUNCT
american_scientific_journal-5341	183	1	molecules	molecule	NOUN
american_scientific_journal-5341	183	2	,	,	PUNCT
american_scientific_journal-5341	183	3	21(10),1319	21(10),1319	NUM
american_scientific_journal-5341	183	4	-	-	SYM
american_scientific_journal-5341	183	5	1333	1333	NUM
american_scientific_journal-5341	183	6	,	,	PUNCT
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american_scientific_journal-5341	183	8	.	.	PUNCT
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american_scientific_journal-5341	184	2	16	16	NUM
american_scientific_journal-5341	184	3	]	]	PUNCT
american_scientific_journal-5341	184	4	.	.	PUNCT
american_scientific_journal-5341	185	1	thom	thom	PROPN
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american_scientific_journal-5341	185	5	.	.	PUNCT
american_scientific_journal-5341	186	1	"	"	PUNCT
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american_scientific_journal-5341	186	5	for	for	ADP
american_scientific_journal-5341	186	6	use	use	NOUN
american_scientific_journal-5341	186	7	in	in	ADP
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american_scientific_journal-5341	186	10	.	.	PUNCT
american_scientific_journal-5341	187	1	i.	i.	PROPN
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american_scientific_journal-5341	187	4	(	(	PUNCT
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american_scientific_journal-5341	187	6	)	)	PUNCT
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american_scientific_journal-5341	187	8	basis	basis	NOUN
american_scientific_journal-5341	187	9	sets	set	NOUN
american_scientific_journal-5341	187	10	for	for	ADP
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american_scientific_journal-5341	187	12	first‐	first‐	NOUN
american_scientific_journal-5341	187	13	row	row	NOUN
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american_scientific_journal-5341	187	16	.	.	PUNCT
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american_scientific_journal-5341	188	4	.	.	PUNCT
american_scientific_journal-5341	188	5	,	,	PUNCT
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american_scientific_journal-5341	188	7	,	,	PUNCT
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american_scientific_journal-5341	188	9	,	,	PUNCT
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american_scientific_journal-5341	188	14	american	american	ADJ
american_scientific_journal-5341	188	15	scientific	scientific	ADJ
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american_scientific_journal-5341	188	17	journal	journal	NOUN
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american_scientific_journal-5341	188	19	engineering	engineering	NOUN
american_scientific_journal-5341	188	20	,	,	PUNCT
american_scientific_journal-5341	188	21	technology	technology	NOUN
american_scientific_journal-5341	188	22	,	,	PUNCT
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american_scientific_journal-5341	188	25	(	(	PUNCT
american_scientific_journal-5341	188	26	asrjets	asrjet	NOUN
american_scientific_journal-5341	188	27	)	)	PUNCT
american_scientific_journal-5341	188	28	(	(	PUNCT
american_scientific_journal-5341	188	29	2019	2019	NUM
american_scientific_journal-5341	188	30	)	)	PUNCT
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american_scientific_journal-5341	188	32	61	61	NUM
american_scientific_journal-5341	188	33	,	,	PUNCT
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american_scientific_journal-5341	188	35	1	1	NUM
american_scientific_journal-5341	188	36	,	,	PUNCT
american_scientific_journal-5341	188	37	pp	pp	ADV
american_scientific_journal-5341	188	38	75	75	NUM
american_scientific_journal-5341	188	39	-	-	SYM
american_scientific_journal-5341	188	40	91	91	NUM
american_scientific_journal-5341	188	41	90	90	NUM
american_scientific_journal-5341	188	42	1970	1970	NUM
american_scientific_journal-5341	188	43	.	.	PUNCT
american_scientific_journal-5341	189	1	https://doi.org/10.1063/1.1674408	https://doi.org/10.1063/1.1674408	PROPN
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american_scientific_journal-5341	190	2	17	17	NUM
american_scientific_journal-5341	190	3	]	]	PUNCT
american_scientific_journal-5341	190	4	.	.	PUNCT
american_scientific_journal-5341	191	1	b.	b.	PROPN
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american_scientific_journal-5341	191	3	,	,	PUNCT
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american_scientific_journal-5341	191	5	.	.	PROPN
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american_scientific_journal-5341	191	7	.	.	PUNCT
american_scientific_journal-5341	192	1	"	"	PUNCT
american_scientific_journal-5341	192	2	accurate	accurate	ADJ
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american_scientific_journal-5341	192	4	of	of	ADP
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american_scientific_journal-5341	192	6	attractive	attractive	ADJ
american_scientific_journal-5341	192	7	interaction	interaction	NOUN
american_scientific_journal-5341	192	8	of	of	ADP
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american_scientific_journal-5341	192	10	ground	ground	NOUN
american_scientific_journal-5341	192	11	state	state	NOUN
american_scientific_journal-5341	192	12	helium	helium	NOUN
american_scientific_journal-5341	192	13	atoms	atom	NOUN
american_scientific_journal-5341	192	14	"	"	PUNCT
american_scientific_journal-5341	192	15	.	.	PUNCT
american_scientific_journal-5341	193	1	j	j	PROPN
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american_scientific_journal-5341	193	4	.	.	PUNCT
american_scientific_journal-5341	193	5	,	,	PUNCT
american_scientific_journal-5341	193	6	59	59	NUM
american_scientific_journal-5341	193	7	,	,	PUNCT
american_scientific_journal-5341	193	8	4557	4557	NUM
american_scientific_journal-5341	193	9	,	,	PUNCT
american_scientific_journal-5341	193	10	1973	1973	NUM
american_scientific_journal-5341	193	11	.	.	PUNCT
american_scientific_journal-5341	194	1	https://doi.org/10.1063/1.1680654	https://doi.org/10.1063/1.1680654	NOUN
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american_scientific_journal-5341	195	2	18	18	NUM
american_scientific_journal-5341	195	3	]	]	PUNCT
american_scientific_journal-5341	195	4	.	.	PUNCT
american_scientific_journal-5341	196	1	m.a	m.a	PROPN
american_scientific_journal-5341	196	2	.	.	PROPN
american_scientific_journal-5341	196	3	thompson	thompson	PROPN
american_scientific_journal-5341	196	4	.	.	PUNCT
american_scientific_journal-5341	197	1	argus	argus	PROPN
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american_scientific_journal-5341	197	4	.	.	PUNCT
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american_scientific_journal-5341	197	10	,	,	PUNCT
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american_scientific_journal-5341	197	14	.	.	PUNCT
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american_scientific_journal-5341	198	2	19	19	NUM
american_scientific_journal-5341	198	3	]	]	PUNCT
american_scientific_journal-5341	198	4	.	.	PUNCT
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american_scientific_journal-5341	199	3	,	,	PUNCT
american_scientific_journal-5341	199	4	r.	r.	PROPN
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american_scientific_journal-5341	199	6	,	,	PUNCT
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american_scientific_journal-5341	199	10	.	.	PUNCT
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american_scientific_journal-5341	200	2	of	of	ADP
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american_scientific_journal-5341	200	6	.	.	PUNCT
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american_scientific_journal-5341	201	3	:	:	PUNCT
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american_scientific_journal-5341	201	5	,	,	PUNCT
american_scientific_journal-5341	201	6	2007	2007	NUM
american_scientific_journal-5341	201	7	.	.	PUNCT
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american_scientific_journal-5341	202	2	110	110	NUM
american_scientific_journal-5341	202	3	]	]	PUNCT
american_scientific_journal-5341	202	4	.	.	PUNCT
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american_scientific_journal-5341	203	2	.	.	PROPN
american_scientific_journal-5341	203	3	el	el	PROPN
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american_scientific_journal-5341	203	5	,	,	PUNCT
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american_scientific_journal-5341	203	9	,	,	PUNCT
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american_scientific_journal-5341	203	13	.	.	PUNCT
american_scientific_journal-5341	204	1	"	"	PUNCT
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american_scientific_journal-5341	204	3	on	on	ADP
american_scientific_journal-5341	204	4	dehydro	dehydro	NOUN
american_scientific_journal-5341	204	5	-	-	PUNCT
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american_scientific_journal-5341	204	7	-	-	ADJ
american_scientific_journal-5341	204	8	ascorbic	ascorbic	ADJ
american_scientific_journal-5341	204	9	acid	acid	NOUN
american_scientific_journal-5341	204	10	and	and	CCONJ
american_scientific_journal-5341	204	11	dehydro	dehydro	NOUN
american_scientific_journal-5341	204	12	-	-	PUNCT
american_scientific_journal-5341	204	13	disoascorbic	disoascorbic	ADJ
american_scientific_journal-5341	204	14	acid	acid	NOUN
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american_scientific_journal-5341	204	16	"	"	PUNCT
american_scientific_journal-5341	204	17	.	.	PUNCT
american_scientific_journal-5341	205	1	journal	journal	PROPN
american_scientific_journal-5341	205	2	of	of	ADP
american_scientific_journal-5341	205	3	chemical	chemical	PROPN
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american_scientific_journal-5341	205	5	,	,	PUNCT
american_scientific_journal-5341	205	6	4	4	NUM
american_scientific_journal-5341	205	7	,	,	PUNCT
american_scientific_journal-5341	205	8	296	296	NUM
american_scientific_journal-5341	205	9	-	-	SYM
american_scientific_journal-5341	205	10	297	297	NUM
american_scientific_journal-5341	205	11	,	,	PUNCT
american_scientific_journal-5341	205	12	1999	1999	NUM
american_scientific_journal-5341	205	13	.	.	PUNCT
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american_scientific_journal-5341	206	2	111	111	NUM
american_scientific_journal-5341	206	3	]	]	PUNCT
american_scientific_journal-5341	206	4	.	.	PUNCT
american_scientific_journal-5341	207	1	m.a	m.a	PROPN
american_scientific_journal-5341	207	2	.	.	PROPN
american_scientific_journal-5341	207	3	el	el	PROPN
american_scientific_journal-5341	207	4	sekily	sekily	PROPN
american_scientific_journal-5341	207	5	,	,	PUNCT
american_scientific_journal-5341	207	6	m.e	m.e	PROPN
american_scientific_journal-5341	207	7	.	.	PROPN
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american_scientific_journal-5341	207	9	,	,	PUNCT
american_scientific_journal-5341	207	10	f.	f.	PROPN
american_scientific_journal-5341	207	11	s.	s.	PROPN
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american_scientific_journal-5341	207	13	.	.	PUNCT
american_scientific_journal-5341	208	1	"	"	PUNCT
american_scientific_journal-5341	208	2	some	some	DET
american_scientific_journal-5341	208	3	heterocycles	heterocycle	NOUN
american_scientific_journal-5341	208	4	from	from	ADP
american_scientific_journal-5341	208	5	dehydro	dehydro	NOUN
american_scientific_journal-5341	208	6	-	-	PUNCT
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american_scientific_journal-5341	208	8	-	-	ADJ
american_scientific_journal-5341	208	9	ascorbic	ascorbic	ADJ
american_scientific_journal-5341	208	10	acid	acid	NOUN
american_scientific_journal-5341	208	11	and	and	CCONJ
american_scientific_journal-5341	208	12	dehydro	dehydro	NOUN
american_scientific_journal-5341	208	13	-	-	PUNCT
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american_scientific_journal-5341	208	15	-	-	ADJ
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american_scientific_journal-5341	208	18	"	"	PUNCT
american_scientific_journal-5341	208	19	.	.	PUNCT
american_scientific_journal-5341	209	1	journal	journal	PROPN
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american_scientific_journal-5341	209	5	chemical	chemical	PROPN
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american_scientific_journal-5341	209	7	,	,	PUNCT
american_scientific_journal-5341	209	8	77	77	NUM
american_scientific_journal-5341	209	9	,	,	PUNCT
american_scientific_journal-5341	209	10	168	168	NUM
american_scientific_journal-5341	209	11	-	-	SYM
american_scientific_journal-5341	209	12	171	171	NUM
american_scientific_journal-5341	209	13	,	,	PUNCT
american_scientific_journal-5341	209	14	2000	2000	NUM
american_scientific_journal-5341	209	15	.	.	PUNCT
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american_scientific_journal-5341	210	2	112	112	NUM
american_scientific_journal-5341	210	3	]	]	PUNCT
american_scientific_journal-5341	210	4	.	.	PUNCT
american_scientific_journal-5341	211	1	m.a	m.a	PROPN
american_scientific_journal-5341	211	2	.	.	PROPN
american_scientific_journal-5341	211	3	el	el	PROPN
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american_scientific_journal-5341	211	5	,	,	PUNCT
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american_scientific_journal-5341	211	7	.	.	PROPN
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american_scientific_journal-5341	211	9	,	,	PUNCT
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american_scientific_journal-5341	211	11	.	.	PROPN
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american_scientific_journal-5341	211	13	.	.	PUNCT
american_scientific_journal-5341	212	1	"	"	PUNCT
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american_scientific_journal-5341	212	3	,	,	PUNCT
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american_scientific_journal-5341	212	5	,	,	PUNCT
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american_scientific_journal-5341	212	11	-	-	PUNCT
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american_scientific_journal-5341	212	13	-	-	PUNCT
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american_scientific_journal-5341	212	15	,	,	PUNCT
american_scientific_journal-5341	212	16	pyrazole	pyrazole	NOUN
american_scientific_journal-5341	212	17	and	and	CCONJ
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american_scientific_journal-5341	212	21	.	.	PUNCT
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american_scientific_journal-5341	213	2	.	.	PUNCT
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american_scientific_journal-5341	214	3	.	.	PUNCT
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american_scientific_journal-5341	215	2	,	,	PUNCT
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american_scientific_journal-5341	215	4	,	,	PUNCT
american_scientific_journal-5341	215	5	(	(	PUNCT
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american_scientific_journal-5341	215	8	,	,	PUNCT
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american_scientific_journal-5341	215	10	-	-	SYM
american_scientific_journal-5341	215	11	5570	5570	NUM
american_scientific_journal-5341	215	12	,	,	PUNCT
american_scientific_journal-5341	215	13	2019	2019	NUM
american_scientific_journal-5341	215	14	.	.	PUNCT
american_scientific_journal-5341	216	1	doi	doi	NOUN
american_scientific_journal-5341	216	2	:	:	PUNCT
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american_scientific_journal-5341	217	2	113	113	NUM
american_scientific_journal-5341	217	3	]	]	PUNCT
american_scientific_journal-5341	217	4	.	.	PUNCT
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american_scientific_journal-5341	218	4	,	,	PUNCT
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american_scientific_journal-5341	218	8	,	,	PUNCT
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american_scientific_journal-5341	218	11	,	,	PUNCT
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american_scientific_journal-5341	218	15	.	.	PUNCT
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american_scientific_journal-5341	219	3	:	:	PUNCT
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american_scientific_journal-5341	220	3	.	.	PUNCT
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american_scientific_journal-5341	221	2	.	.	PUNCT
american_scientific_journal-5341	221	3	,	,	PUNCT
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american_scientific_journal-5341	221	5	,	,	PUNCT
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american_scientific_journal-5341	221	7	-	-	SYM
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american_scientific_journal-5341	221	9	,	,	PUNCT
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american_scientific_journal-5341	221	11	.	.	PUNCT
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american_scientific_journal-5341	222	4	.	.	PUNCT
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american_scientific_journal-5341	226	3	,	,	PUNCT
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american_scientific_journal-5341	226	5	,	,	PUNCT
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american_scientific_journal-5341	226	7	-	-	SYM
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american_scientific_journal-5341	227	2	115	115	NUM
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american_scientific_journal-5341	227	4	.	.	PUNCT
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american_scientific_journal-5341	232	2	.	.	PUNCT
american_scientific_journal-5341	232	3	,	,	PUNCT
american_scientific_journal-5341	232	4	105	105	NUM
american_scientific_journal-5341	232	5	,	,	PUNCT
american_scientific_journal-5341	232	6	7512	7512	NUM
american_scientific_journal-5341	232	7	-	-	SYM
american_scientific_journal-5341	232	8	7516	7516	NUM
american_scientific_journal-5341	232	9	,	,	PUNCT
american_scientific_journal-5341	232	10	1983	1983	NUM
american_scientific_journal-5341	232	11	.	.	PUNCT
american_scientific_journal-5341	233	1	[	[	X
american_scientific_journal-5341	233	2	116	116	NUM
american_scientific_journal-5341	233	3	]	]	PUNCT
american_scientific_journal-5341	233	4	.	.	PUNCT
american_scientific_journal-5341	234	1	r.g	r.g	PROPN
american_scientific_journal-5341	234	2	.	.	PROPN
american_scientific_journal-5341	234	3	parr	parr	PROPN
american_scientific_journal-5341	234	4	,	,	PUNCT
american_scientific_journal-5341	234	5	p.k	p.k	PROPN
american_scientific_journal-5341	234	6	.	.	PROPN
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american_scientific_journal-5341	234	8	.	.	PUNCT
american_scientific_journal-5341	235	1	"	"	PUNCT
american_scientific_journal-5341	235	2	principle	principle	NOUN
american_scientific_journal-5341	235	3	of	of	ADP
american_scientific_journal-5341	235	4	maximum	maximum	ADJ
american_scientific_journal-5341	235	5	hardness	hardness	NOUN
american_scientific_journal-5341	235	6	"	"	PUNCT
american_scientific_journal-5341	235	7	.	.	PUNCT
american_scientific_journal-5341	236	1	j.	j.	PROPN
american_scientific_journal-5341	236	2	am	am	PROPN
american_scientific_journal-5341	236	3	.	.	PUNCT
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american_scientific_journal-5341	237	2	.	.	PUNCT
american_scientific_journal-5341	238	1	soc	soc	PROPN
american_scientific_journal-5341	238	2	.	.	PUNCT
american_scientific_journal-5341	238	3	,	,	PUNCT
american_scientific_journal-5341	238	4	113	113	NUM
american_scientific_journal-5341	238	5	,	,	PUNCT
american_scientific_journal-5341	238	6	1854	1854	NUM
american_scientific_journal-5341	238	7	-	-	SYM
american_scientific_journal-5341	238	8	1855	1855	NUM
american_scientific_journal-5341	238	9	,	,	PUNCT
american_scientific_journal-5341	238	10	1991	1991	NUM
american_scientific_journal-5341	238	11	.	.	PUNCT
american_scientific_journal-5341	239	1	[	[	X
american_scientific_journal-5341	239	2	117	117	NUM
american_scientific_journal-5341	239	3	]	]	PUNCT
american_scientific_journal-5341	239	4	.	.	PUNCT
american_scientific_journal-5341	240	1	w.p	w.p	PROPN
american_scientific_journal-5341	240	2	.	.	PUNCT
american_scientific_journal-5341	241	1	ozimin'ski	ozimin'ski	PROPN
american_scientific_journal-5341	241	2	,	,	PUNCT
american_scientific_journal-5341	241	3	j.c	j.c	PROPN
american_scientific_journal-5341	241	4	.	.	PROPN
american_scientific_journal-5341	241	5	dobrowolski	dobrowolski	PROPN
american_scientific_journal-5341	241	6	,	,	PUNCT
american_scientific_journal-5341	241	7	a.p	a.p	PROPN
american_scientific_journal-5341	241	8	.	.	PROPN
american_scientific_journal-5341	241	9	mazurek	mazurek	PROPN
american_scientific_journal-5341	241	10	.	.	PUNCT
american_scientific_journal-5341	242	1	"	"	PUNCT
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american_scientific_journal-5341	242	4	on	on	ADP
american_scientific_journal-5341	242	5	tautomerism	tautomerism	NOUN
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american_scientific_journal-5341	242	7	c5	c5	PROPN
american_scientific_journal-5341	242	8	-	-	PUNCT
american_scientific_journal-5341	242	9	substituted	substitute	VERB
american_scientific_journal-5341	242	10	1,2,3	1,2,3	NUM
american_scientific_journal-5341	242	11	-	-	PUNCT
american_scientific_journal-5341	242	12	triazoles	triazole	NOUN
american_scientific_journal-5341	242	13	"	"	PUNCT
american_scientific_journal-5341	242	14	.	.	PUNCT
american_scientific_journal-5341	243	1	j.	j.	PROPN
american_scientific_journal-5341	243	2	mol	mol	PROPN
american_scientific_journal-5341	243	3	.	.	PROPN
american_scientific_journal-5341	243	4	struct	struct	NOUN
american_scientific_journal-5341	243	5	.	.	PUNCT
american_scientific_journal-5341	243	6	,	,	PUNCT
american_scientific_journal-5341	243	7	651	651	NUM
american_scientific_journal-5341	243	8	-	-	SYM
american_scientific_journal-5341	243	9	653	653	NUM
american_scientific_journal-5341	243	10	,	,	PUNCT
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american_scientific_journal-5341	243	12	-	-	SYM
american_scientific_journal-5341	243	13	704	704	NUM
american_scientific_journal-5341	243	14	,	,	PUNCT
american_scientific_journal-5341	243	15	2003	2003	NUM
american_scientific_journal-5341	243	16	.	.	PUNCT
american_scientific_journal-5341	244	1	[	[	X
american_scientific_journal-5341	244	2	118	118	NUM
american_scientific_journal-5341	244	3	]	]	PUNCT
american_scientific_journal-5341	244	4	.	.	PUNCT
american_scientific_journal-5341	245	1	r.g	r.g	PROPN
american_scientific_journal-5341	245	2	.	.	PROPN
american_scientific_journal-5341	245	3	parr	parr	PROPN
american_scientific_journal-5341	245	4	,	,	PUNCT
american_scientific_journal-5341	245	5	w.	w.	PROPN
american_scientific_journal-5341	245	6	yang	yang	PROPN
american_scientific_journal-5341	245	7	.	.	PUNCT
american_scientific_journal-5341	246	1	"	"	PUNCT
american_scientific_journal-5341	246	2	density	density	NOUN
american_scientific_journal-5341	246	3	functional	functional	ADJ
american_scientific_journal-5341	246	4	theory	theory	NOUN
american_scientific_journal-5341	246	5	of	of	ADP
american_scientific_journal-5341	246	6	atoms	atom	NOUN
american_scientific_journal-5341	246	7	and	and	CCONJ
american_scientific_journal-5341	246	8	molecules	molecule	NOUN
american_scientific_journal-5341	246	9	"	"	PUNCT
american_scientific_journal-5341	246	10	.	.	PUNCT
american_scientific_journal-5341	247	1	international	international	ADJ
american_scientific_journal-5341	247	2	series	series	NOUN
american_scientific_journal-5341	247	3	of	of	ADP
american_scientific_journal-5341	247	4	monographs	monograph	NOUN
american_scientific_journal-5341	247	5	on	on	ADP
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american_scientific_journal-5341	247	7	,	,	PUNCT
american_scientific_journal-5341	247	8	oxford	oxford	PROPN
american_scientific_journal-5341	247	9	university	university	PROPN
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american_scientific_journal-5341	247	11	,	,	PUNCT
american_scientific_journal-5341	247	12	new	new	PROPN
american_scientific_journal-5341	247	13	york	york	PROPN
american_scientific_journal-5341	247	14	,	,	PUNCT
american_scientific_journal-5341	247	15	16	16	NUM
american_scientific_journal-5341	247	16	,	,	PUNCT
american_scientific_journal-5341	247	17	1989	1989	NUM
american_scientific_journal-5341	247	18	.	.	PUNCT
american_scientific_journal-5341	248	1	[	[	X
american_scientific_journal-5341	248	2	119	119	NUM
american_scientific_journal-5341	248	3	]	]	PUNCT
american_scientific_journal-5341	248	4	.	.	PUNCT
american_scientific_journal-5341	249	1	s.	s.	PROPN
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american_scientific_journal-5341	249	3	,	,	PUNCT
american_scientific_journal-5341	249	4	a.	a.	PROPN
american_scientific_journal-5341	249	5	bouchoucha	bouchoucha	PROPN
american_scientific_journal-5341	249	6	,	,	PUNCT
american_scientific_journal-5341	249	7	s.	s.	PROPN
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american_scientific_journal-5341	249	9	,	,	PUNCT
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american_scientific_journal-5341	249	12	.	.	PUNCT
american_scientific_journal-5341	250	1	"	"	PUNCT
american_scientific_journal-5341	250	2	structure	structure	NOUN
american_scientific_journal-5341	250	3	,	,	PUNCT
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american_scientific_journal-5341	250	6	,	,	PUNCT
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american_scientific_journal-5341	250	8	properties	property	NOUN
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american_scientific_journal-5341	250	12	of	of	ADP
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american_scientific_journal-5341	250	14	benzoxazole	benzoxazole	NOUN
american_scientific_journal-5341	250	15	derivatives	derivative	NOUN
american_scientific_journal-5341	250	16	:	:	PUNCT
american_scientific_journal-5341	250	17	functional	functional	ADJ
american_scientific_journal-5341	250	18	density	density	NOUN
american_scientific_journal-5341	250	19	theory	theory	NOUN
american_scientific_journal-5341	250	20	study	study	NOUN
american_scientific_journal-5341	250	21	"	"	PUNCT
american_scientific_journal-5341	250	22	.	.	PUNCT
american_scientific_journal-5341	251	1	journal	journal	NOUN
american_scientific_journal-5341	251	2	of	of	ADP
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american_scientific_journal-5341	251	4	structure	structure	NOUN
american_scientific_journal-5341	251	5	,	,	PUNCT
american_scientific_journal-5341	251	6	1123	1123	NUM
american_scientific_journal-5341	251	7	,	,	PUNCT
american_scientific_journal-5341	251	8	344–354	344–354	NUM
american_scientific_journal-5341	251	9	,	,	PUNCT
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american_scientific_journal-5341	251	11	.	.	PUNCT
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american_scientific_journal-5341	252	2	30	30	NUM
american_scientific_journal-5341	252	3	]	]	PUNCT
american_scientific_journal-5341	252	4	.	.	PUNCT
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american_scientific_journal-5341	253	4	.	.	PUNCT
american_scientific_journal-5341	254	1	"	"	PUNCT
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american_scientific_journal-5341	254	4	thermochemistry	thermochemistry	NOUN
american_scientific_journal-5341	254	5	.	.	PUNCT
american_scientific_journal-5341	255	1	the	the	DET
american_scientific_journal-5341	255	2	rôle	rôle	NOUN
american_scientific_journal-5341	255	3	of	of	ADP
american_scientific_journal-5341	255	4	exact	exact	ADJ
american_scientific_journal-5341	255	5	exchange	exchange	NOUN
american_scientific_journal-5341	255	6	"	"	PUNCT
american_scientific_journal-5341	255	7	.	.	PUNCT
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american_scientific_journal-5341	256	3	,	,	PUNCT
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american_scientific_journal-5341	256	5	,	,	PUNCT
american_scientific_journal-5341	256	6	5648	5648	NUM
american_scientific_journal-5341	256	7	-	-	SYM
american_scientific_journal-5341	256	8	5652	5652	NUM
american_scientific_journal-5341	256	9	.	.	PUNCT
american_scientific_journal-5341	257	1	1993	1993	NUM
american_scientific_journal-5341	257	2	.	.	PUNCT
american_scientific_journal-5341	258	1	https://doi.org/10.1063/1.464913	https://doi.org/10.1063/1.464913	PROPN
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american_scientific_journal-5341	259	2	31	31	NUM
american_scientific_journal-5341	259	3	]	]	PUNCT
american_scientific_journal-5341	259	4	.	.	PUNCT
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american_scientific_journal-5341	260	3	,	,	PUNCT
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american_scientific_journal-5341	260	6	,	,	PUNCT
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american_scientific_journal-5341	260	8	.	.	PROPN
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american_scientific_journal-5341	260	10	.	.	PUNCT
american_scientific_journal-5341	261	1	"	"	PUNCT
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american_scientific_journal-5341	261	3	of	of	ADP
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american_scientific_journal-5341	261	6	-	-	PUNCT
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american_scientific_journal-5341	261	9	-	-	PUNCT
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american_scientific_journal-5341	261	15	of	of	ADP
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american_scientific_journal-5341	261	19	"	"	PUNCT
american_scientific_journal-5341	261	20	.	.	PUNCT
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american_scientific_journal-5341	262	2	.	.	PUNCT
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american_scientific_journal-5341	263	2	.	.	PROPN
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american_scientific_journal-5341	263	4	,	,	PUNCT
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american_scientific_journal-5341	263	6	,	,	PUNCT
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american_scientific_journal-5341	263	8	,	,	PUNCT
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american_scientific_journal-5341	263	10	.	.	PUNCT
american_scientific_journal-5341	264	1	https://doi.org/10.1103/physrevb.37.785	https://doi.org/10.1103/physrevb.37.785	PROPN
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american_scientific_journal-5341	265	3	]	]	PUNCT
american_scientific_journal-5341	265	4	.	.	PUNCT
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american_scientific_journal-5341	266	2	.	.	PROPN
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american_scientific_journal-5341	266	4	,	,	PUNCT
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american_scientific_journal-5341	266	7	,	,	PUNCT
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american_scientific_journal-5341	266	10	,	,	PUNCT
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american_scientific_journal-5341	266	13	,	,	PUNCT
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american_scientific_journal-5341	266	16	,	,	PUNCT
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american_scientific_journal-5341	266	20	,	,	PUNCT
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american_scientific_journal-5341	266	22	.	.	PUNCT
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american_scientific_journal-5341	267	4	.	.	PUNCT
american_scientific_journal-5341	268	1	r.	r.	PROPN
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american_scientific_journal-5341	268	4	,	,	PUNCT
american_scientific_journal-5341	268	5	t.	t.	PROPN
american_scientific_journal-5341	268	6	keith	keith	PROPN
american_scientific_journal-5341	268	7	,	,	PUNCT
american_scientific_journal-5341	268	8	j.	j.	PROPN
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american_scientific_journal-5341	268	10	,	,	PUNCT
american_scientific_journal-5341	268	11	gauss	gauss	ADJ
american_scientific_journal-5341	268	12	view	view	NOUN
american_scientific_journal-5341	268	13	,	,	PUNCT
american_scientific_journal-5341	268	14	version	version	NOUN
american_scientific_journal-5341	268	15	5	5	NUM
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american_scientific_journal-5341	268	20	,	,	PUNCT
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american_scientific_journal-5341	269	3	]	]	PUNCT
american_scientific_journal-5341	269	4	.	.	PUNCT
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american_scientific_journal-5341	270	7	,	,	PUNCT
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american_scientific_journal-5341	270	13	;	;	PUNCT
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american_scientific_journal-5341	270	17	:	:	PUNCT
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american_scientific_journal-5341	271	4	,	,	PUNCT
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american_scientific_journal-5341	271	6	,	,	PUNCT
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american_scientific_journal-5341	271	8	.	.	PUNCT
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american_scientific_journal-5341	272	4	/	/	SYM
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american_scientific_journal-5341	272	8	american	american	ADJ
american_scientific_journal-5341	272	9	scientific	scientific	ADJ
american_scientific_journal-5341	272	10	research	research	PROPN
american_scientific_journal-5341	272	11	journal	journal	NOUN
american_scientific_journal-5341	272	12	for	for	ADP
american_scientific_journal-5341	272	13	engineering	engineering	NOUN
american_scientific_journal-5341	272	14	,	,	PUNCT
american_scientific_journal-5341	272	15	technology	technology	NOUN
american_scientific_journal-5341	272	16	,	,	PUNCT
american_scientific_journal-5341	272	17	and	and	CCONJ
american_scientific_journal-5341	272	18	sciences	science	NOUN
american_scientific_journal-5341	272	19	(	(	PUNCT
american_scientific_journal-5341	272	20	asrjets	asrjet	NOUN
american_scientific_journal-5341	272	21	)	)	PUNCT
american_scientific_journal-5341	272	22	(	(	PUNCT
american_scientific_journal-5341	272	23	2019	2019	NUM
american_scientific_journal-5341	272	24	)	)	PUNCT
american_scientific_journal-5341	272	25	volume	volume	NOUN
american_scientific_journal-5341	272	26	61	61	NUM
american_scientific_journal-5341	272	27	,	,	PUNCT
american_scientific_journal-5341	272	28	no	no	DET
american_scientific_journal-5341	272	29	1	1	NUM
american_scientific_journal-5341	272	30	,	,	PUNCT
american_scientific_journal-5341	272	31	pp	pp	ADV
american_scientific_journal-5341	272	32	75	75	NUM
american_scientific_journal-5341	272	33	-	-	SYM
american_scientific_journal-5341	272	34	91	91	NUM
american_scientific_journal-5341	272	35	91	91	NUM
american_scientific_journal-5341	273	1	[	[	X
american_scientific_journal-5341	273	2	35	35	NUM
american_scientific_journal-5341	273	3	]	]	PUNCT
american_scientific_journal-5341	273	4	.	.	PUNCT
american_scientific_journal-5341	274	1	o.	o.	PROPN
american_scientific_journal-5341	274	2	tamer	tamer	PROPN
american_scientific_journal-5341	274	3	,	,	PUNCT
american_scientific_journal-5341	274	4	b.s	b.s	PROPN
american_scientific_journal-5341	274	5	.	.	PROPN
american_scientific_journal-5341	274	6	arslan	arslan	PROPN
american_scientific_journal-5341	274	7	,	,	PUNCT
american_scientific_journal-5341	274	8	d.	d.	PROPN
american_scientific_journal-5341	274	9	avcı	avcı	PROPN
american_scientific_journal-5341	274	10	,	,	PUNCT
american_scientific_journal-5341	274	11	m.	m.	NOUN
american_scientific_journal-5341	274	12	nebioglu	nebioglu	PROPN
american_scientific_journal-5341	274	13	,	,	PUNCT
american_scientific_journal-5341	274	14	y.	y.	PROPN
american_scientific_journal-5341	274	15	atalay	atalay	PROPN
american_scientific_journal-5341	274	16	,	,	PUNCT
american_scientific_journal-5341	274	17	b.	b.	PROPN
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american_scientific_journal-5341	274	19	.	.	PUNCT
american_scientific_journal-5341	275	1	"	"	PUNCT
american_scientific_journal-5341	275	2	synthesis	synthesis	NOUN
american_scientific_journal-5341	275	3	,	,	PUNCT
american_scientific_journal-5341	275	4	molecular	molecular	ADJ
american_scientific_journal-5341	275	5	structure	structure	NOUN
american_scientific_journal-5341	275	6	,	,	PUNCT
american_scientific_journal-5341	275	7	spectral	spectral	ADJ
american_scientific_journal-5341	275	8	analysis	analysis	NOUN
american_scientific_journal-5341	275	9	,	,	PUNCT
american_scientific_journal-5341	275	10	and	and	CCONJ
american_scientific_journal-5341	275	11	nonlinear	nonlinear	ADJ
american_scientific_journal-5341	275	12	optical	optical	ADJ
american_scientific_journal-5341	275	13	studies	study	NOUN
american_scientific_journal-5341	275	14	on	on	ADP
american_scientific_journal-5341	275	15	4-(4	4-(4	PROPN
american_scientific_journal-5341	275	16	-	-	PUNCT
american_scientific_journal-5341	275	17	bromophenyl)-1	bromophenyl)-1	PROPN
american_scientific_journal-5341	275	18	-	-	PUNCT
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american_scientific_journal-5341	275	20	-	-	PUNCT
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american_scientific_journal-5341	275	22	-	-	PUNCT
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american_scientific_journal-5341	275	24	-	-	NOUN
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american_scientific_journal-5341	275	26	:	:	PUNCT
american_scientific_journal-5341	275	27	a	a	DET
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american_scientific_journal-5341	275	29	experimental	experimental	ADJ
american_scientific_journal-5341	275	30	and	and	CCONJ
american_scientific_journal-5341	275	31	dft	dft	PROPN
american_scientific_journal-5341	275	32	approach	approach	NOUN
american_scientific_journal-5341	275	33	"	"	PUNCT
american_scientific_journal-5341	275	34	.	.	PUNCT
american_scientific_journal-5341	276	1	j.	j.	PROPN
american_scientific_journal-5341	276	2	mol	mol	PROPN
american_scientific_journal-5341	276	3	.	.	PROPN
american_scientific_journal-5341	276	4	struct	struct	NOUN
american_scientific_journal-5341	276	5	.	.	PUNCT
american_scientific_journal-5341	276	6	,	,	PUNCT
american_scientific_journal-5341	276	7	1106	1106	NUM
american_scientific_journal-5341	276	8	,	,	PUNCT
american_scientific_journal-5341	276	9	89	89	NUM
american_scientific_journal-5341	276	10	-	-	SYM
american_scientific_journal-5341	276	11	97	97	NUM
american_scientific_journal-5341	276	12	,	,	PUNCT
american_scientific_journal-5341	276	13	2016	2016	NUM
american_scientific_journal-5341	276	14	.	.	PUNCT
american_scientific_journal-5341	277	1	[	[	X
american_scientific_journal-5341	277	2	36	36	NUM
american_scientific_journal-5341	277	3	]	]	PUNCT
american_scientific_journal-5341	277	4	.	.	PUNCT
american_scientific_journal-5341	278	1	n.m.m	n.m.m	PROPN
american_scientific_journal-5341	278	2	.	.	PROPN
american_scientific_journal-5341	278	3	hamada	hamada	PROPN
american_scientific_journal-5341	278	4	.	.	PUNCT
american_scientific_journal-5341	279	1	"	"	PUNCT
american_scientific_journal-5341	279	2	synthesis	synthesis	NOUN
american_scientific_journal-5341	279	3	,	,	PUNCT
american_scientific_journal-5341	279	4	spectroscopic	spectroscopic	ADJ
american_scientific_journal-5341	279	5	characterization	characterization	NOUN
american_scientific_journal-5341	279	6	,	,	PUNCT
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american_scientific_journal-5341	279	9	dependent	dependent	ADJ
american_scientific_journal-5341	279	10	dft	dft	PROPN
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american_scientific_journal-5341	279	12	of	of	ADP
american_scientific_journal-5341	279	13	1	1	NUM
american_scientific_journal-5341	279	14	-	-	PUNCT
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american_scientific_journal-5341	279	16	-	-	PUNCT
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american_scientific_journal-5341	279	18	-	-	PUNCT
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american_scientific_journal-5341	279	20	-	-	PUNCT
american_scientific_journal-5341	279	21	a	a	X
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american_scientific_journal-5341	279	24	-	-	NOUN
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american_scientific_journal-5341	279	26	and	and	CCONJ
american_scientific_journal-5341	279	27	its	its	PRON
american_scientific_journal-5341	279	28	starting	start	VERB
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american_scientific_journal-5341	279	30	in	in	ADP
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american_scientific_journal-5341	279	33	"	"	PUNCT
american_scientific_journal-5341	279	34	.	.	PUNCT
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american_scientific_journal-5341	280	3	,	,	PUNCT
american_scientific_journal-5341	280	4	7	7	NUM
american_scientific_journal-5341	280	5	,	,	PUNCT
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american_scientific_journal-5341	280	7	.	.	NOUN
american_scientific_journal-5341	280	8	2018	2018	NUM
american_scientific_journal-5341	280	9	.	.	PUNCT
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american_scientific_journal-5341	281	2	:	:	PUNCT
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american_scientific_journal-5341	281	4	/	/	SYM
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american_scientific_journal-5341	282	2	37	37	NUM
american_scientific_journal-5341	282	3	]	]	PUNCT
american_scientific_journal-5341	282	4	.	.	PUNCT
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american_scientific_journal-5341	283	5	.	.	PUNCT
american_scientific_journal-5341	284	1	"	"	PUNCT
american_scientific_journal-5341	284	2	a	a	DET
american_scientific_journal-5341	284	3	further	further	ADJ
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american_scientific_journal-5341	284	5	of	of	ADP
american_scientific_journal-5341	284	6	a	a	DET
american_scientific_journal-5341	284	7	nucleophilicity	nucleophilicity	NOUN
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american_scientific_journal-5341	284	13	-	-	PUNCT
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american_scientific_journal-5341	284	18	.	.	PUNCT
american_scientific_journal-5341	285	1	j.	j.	PROPN
american_scientific_journal-5341	285	2	mol	mol	PROPN
american_scientific_journal-5341	285	3	.	.	PROPN
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american_scientific_journal-5341	285	5	.	.	PUNCT
american_scientific_journal-5341	285	6	:	:	PUNCT
american_scientific_journal-5341	286	1	theochem	theochem	NOUN
american_scientific_journal-5341	286	2	,	,	PUNCT
american_scientific_journal-5341	286	3	865(1	865(1	NOUN
american_scientific_journal-5341	286	4	-	-	SYM
american_scientific_journal-5341	286	5	3	3	NUM
american_scientific_journal-5341	286	6	)	)	PUNCT
american_scientific_journal-5341	286	7	,	,	PUNCT
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american_scientific_journal-5341	286	9	-	-	SYM
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american_scientific_journal-5341	286	13	.	.	PUNCT
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american_scientific_journal-5341	287	2	38	38	NUM
american_scientific_journal-5341	287	3	]	]	PUNCT
american_scientific_journal-5341	287	4	.	.	PUNCT
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american_scientific_journal-5341	287	7	,	,	PUNCT
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american_scientific_journal-5341	287	10	.	.	PUNCT
american_scientific_journal-5341	288	1	"	"	PUNCT
american_scientific_journal-5341	288	2	a	a	DET
american_scientific_journal-5341	288	3	dft	dft	PROPN
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american_scientific_journal-5341	288	5	on	on	ADP
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american_scientific_journal-5341	288	7	and	and	CCONJ
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american_scientific_journal-5341	288	14	.	.	PUNCT
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american_scientific_journal-5341	289	2	and	and	CCONJ
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american_scientific_journal-5341	289	5	,	,	PUNCT
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american_scientific_journal-5341	289	7	,	,	PUNCT
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american_scientific_journal-5341	289	9	-	-	SYM
american_scientific_journal-5341	289	10	55	55	NUM
american_scientific_journal-5341	289	11	,	,	PUNCT
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american_scientific_journal-5341	289	13	.	.	PUNCT
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american_scientific_journal-5341	290	2	39	39	NUM
american_scientific_journal-5341	290	3	]	]	PUNCT
american_scientific_journal-5341	290	4	.	.	PUNCT
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american_scientific_journal-5341	291	4	,	,	PUNCT
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american_scientific_journal-5341	291	7	,	,	PUNCT
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american_scientific_journal-5341	291	13	.	.	PUNCT
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american_scientific_journal-5341	292	15	:	:	PUNCT
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american_scientific_journal-5341	292	19	.	.	PUNCT
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american_scientific_journal-5341	294	2	.	.	PUNCT
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american_scientific_journal-5341	295	2	,	,	PUNCT
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american_scientific_journal-5341	295	4	,	,	PUNCT
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american_scientific_journal-5341	295	6	,	,	PUNCT
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american_scientific_journal-5341	295	8	.	.	PUNCT
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american_scientific_journal-5341	296	4	.	.	PUNCT
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american_scientific_journal-5341	297	4	,	,	PUNCT
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american_scientific_journal-5341	297	7	.	.	PUNCT
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american_scientific_journal-5341	298	4	in	in	ADP
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american_scientific_journal-5341	298	6	-	-	PUNCT
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american_scientific_journal-5341	298	9	:	:	PUNCT
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american_scientific_journal-5341	298	17	.	.	PUNCT
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american_scientific_journal-5341	300	2	.	.	PUNCT
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american_scientific_journal-5341	301	2	,	,	PUNCT
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american_scientific_journal-5341	301	4	,	,	PUNCT
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american_scientific_journal-5341	301	6	,	,	PUNCT
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american_scientific_journal-5341	301	8	.	.	PUNCT
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american_scientific_journal-5341	302	2	41	41	NUM
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american_scientific_journal-5341	302	4	.	.	PUNCT
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american_scientific_journal-5341	303	3	,	,	PUNCT
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american_scientific_journal-5341	303	5	.	.	PROPN
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american_scientific_journal-5341	303	7	.	.	PUNCT
american_scientific_journal-5341	304	1	"	"	PUNCT
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american_scientific_journal-5341	304	4	(	(	PUNCT
american_scientific_journal-5341	304	5	ft	ft	NOUN
american_scientific_journal-5341	304	6	-	-	PUNCT
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american_scientific_journal-5341	304	8	,	,	PUNCT
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american_scientific_journal-5341	304	10	-	-	PUNCT
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american_scientific_journal-5341	304	12	and	and	CCONJ
american_scientific_journal-5341	304	13	nmr	nmr	NOUN
american_scientific_journal-5341	304	14	)	)	PUNCT
american_scientific_journal-5341	304	15	,	,	PUNCT
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american_scientific_journal-5341	304	17	order	order	NOUN
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american_scientific_journal-5341	304	25	2	2	NUM
american_scientific_journal-5341	304	26	-	-	PUNCT
american_scientific_journal-5341	304	27	mercapto-4(3h)-quinazolinone	mercapto-4(3h)-quinazolinone	NUM
american_scientific_journal-5341	304	28	"	"	PUNCT
american_scientific_journal-5341	304	29	.	.	PUNCT
american_scientific_journal-5341	305	1	spectrochimica	spectrochimica	PROPN
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american_scientific_journal-5341	305	5	:	:	PUNCT
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american_scientific_journal-5341	305	8	biomolecular	biomolecular	ADJ
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american_scientific_journal-5341	305	10	,	,	PUNCT
american_scientific_journal-5341	305	11	129	129	NUM
american_scientific_journal-5341	305	12	,	,	PUNCT
american_scientific_journal-5341	305	13	572–583	572–583	NUM
american_scientific_journal-5341	305	14	,	,	PUNCT
american_scientific_journal-5341	305	15	2014	2014	NUM
american_scientific_journal-5341	305	16	.	.	PUNCT
american_scientific_journal-5341	306	1	https://doi.org/10.1016/j.saa.2014.04.041	https://doi.org/10.1016/j.saa.2014.04.041	X
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american_scientific_journal-5341	307	2	42	42	NUM
american_scientific_journal-5341	307	3	]	]	PUNCT
american_scientific_journal-5341	307	4	.	.	PUNCT
american_scientific_journal-5341	308	1	m.v.s	m.v.s	PROPN
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american_scientific_journal-5341	308	4	,	,	PUNCT
american_scientific_journal-5341	308	5	k.	k.	PROPN
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american_scientific_journal-5341	308	8	s.n	s.n	PROPN
american_scientific_journal-5341	308	9	.	.	PROPN
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american_scientific_journal-5341	308	11	,	,	PUNCT
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american_scientific_journal-5341	308	14	.	.	PUNCT
american_scientific_journal-5341	309	1	"	"	PUNCT
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american_scientific_journal-5341	309	7	,	,	PUNCT
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american_scientific_journal-5341	309	12	and	and	CCONJ
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american_scientific_journal-5341	309	19	-	-	PUNCT
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american_scientific_journal-5341	309	27	"	"	PUNCT
american_scientific_journal-5341	309	28	.	.	PUNCT
american_scientific_journal-5341	310	1	j.	j.	PROPN
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american_scientific_journal-5341	310	5	.	.	PUNCT
american_scientific_journal-5341	310	6	,	,	PUNCT
american_scientific_journal-5341	310	7	1047	1047	NUM
american_scientific_journal-5341	310	8	,	,	PUNCT
american_scientific_journal-5341	310	9	216–228	216–228	NUM
american_scientific_journal-5341	310	10	,	,	PUNCT
american_scientific_journal-5341	310	11	2013	2013	NUM
american_scientific_journal-5341	310	12	.	.	PUNCT
american_scientific_journal-5341	311	1	https://doi.org/10.1016/j.molstruc.2013.04.066	https://doi.org/10.1016/j.molstruc.2013.04.066	PROPN
american_scientific_journal-5341	312	1	[	[	X
american_scientific_journal-5341	312	2	43	43	NUM
american_scientific_journal-5341	312	3	]	]	PUNCT
american_scientific_journal-5341	312	4	.	.	PUNCT
american_scientific_journal-5341	313	1	s.	s.	PROPN
american_scientific_journal-5341	313	2	fatma	fatma	PROPN
american_scientific_journal-5341	313	3	,	,	PUNCT
american_scientific_journal-5341	313	4	a.	a.	PROPN
american_scientific_journal-5341	313	5	bishnoi	bishnoi	PROPN
american_scientific_journal-5341	313	6	,	,	PUNCT
american_scientific_journal-5341	313	7	a.k	a.k	PROPN
american_scientific_journal-5341	313	8	.	.	PROPN
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american_scientific_journal-5341	313	10	.	.	PUNCT
american_scientific_journal-5341	314	1	"	"	PUNCT
american_scientific_journal-5341	314	2	synthesis	synthesis	NOUN
american_scientific_journal-5341	314	3	,	,	PUNCT
american_scientific_journal-5341	314	4	spectral	spectral	ADJ
american_scientific_journal-5341	314	5	analysis	analysis	NOUN
american_scientific_journal-5341	314	6	(	(	PUNCT
american_scientific_journal-5341	314	7	ft	ft	NOUN
american_scientific_journal-5341	314	8	-	-	PUNCT
american_scientific_journal-5341	314	9	ir	ir	NOUN
american_scientific_journal-5341	314	10	,	,	PUNCT
american_scientific_journal-5341	314	11	1	1	NUM
american_scientific_journal-5341	314	12	h	h	NOUN
american_scientific_journal-5341	314	13	nmr	nmr	NOUN
american_scientific_journal-5341	314	14	,	,	PUNCT
american_scientific_journal-5341	314	15	13	13	NUM
american_scientific_journal-5341	314	16	c	c	NOUN
american_scientific_journal-5341	314	17	nmr	nmr	NOUN
american_scientific_journal-5341	314	18	and	and	CCONJ
american_scientific_journal-5341	314	19	uv	uv	NOUN
american_scientific_journal-5341	314	20	–	–	PUNCT
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american_scientific_journal-5341	314	22	)	)	PUNCT
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american_scientific_journal-5341	314	24	quantum	quantum	ADJ
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american_scientific_journal-5341	314	41	novel	novel	ADJ
american_scientific_journal-5341	314	42	2	2	NUM
american_scientific_journal-5341	314	43	-	-	PUNCT
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american_scientific_journal-5341	314	51	-	-	PUNCT
american_scientific_journal-5341	314	52	c]quinoline-3	c]quinoline-3	NOUN
american_scientific_journal-5341	314	53	-	-	ADJ
american_scientific_journal-5341	314	54	carbonitrile	carbonitrile	NOUN
american_scientific_journal-5341	314	55	"	"	PUNCT
american_scientific_journal-5341	314	56	.	.	PUNCT
american_scientific_journal-5341	315	1	j.	j.	PROPN
american_scientific_journal-5341	315	2	mol	mol	PROPN
american_scientific_journal-5341	315	3	.	.	PROPN
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american_scientific_journal-5341	315	5	.	.	PUNCT
american_scientific_journal-5341	315	6	,	,	PUNCT
american_scientific_journal-5341	315	7	1095	1095	NUM
american_scientific_journal-5341	315	8	,	,	PUNCT
american_scientific_journal-5341	315	9	112–124	112–124	NUM
american_scientific_journal-5341	315	10	,	,	PUNCT
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american_scientific_journal-5341	315	12	.	.	PUNCT
american_scientific_journal-5341	316	1	https://doi.org/10.1016/j.molstruc.2015.04.026	https://doi.org/10.1016/j.molstruc.2015.04.026	PROPN
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american_scientific_journal-5341	317	2	44	44	NUM
american_scientific_journal-5341	317	3	]	]	PUNCT
american_scientific_journal-5341	317	4	.	.	PUNCT
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american_scientific_journal-5341	318	4	.	.	PUNCT
american_scientific_journal-5341	319	1	"	"	PUNCT
american_scientific_journal-5341	319	2	measuring	measure	VERB
american_scientific_journal-5341	319	3	aromaticity	aromaticity	NOUN
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american_scientific_journal-5341	319	5	nmr	nmr	NOUN
american_scientific_journal-5341	319	6	"	"	PUNCT
american_scientific_journal-5341	319	7	.	.	PUNCT
american_scientific_journal-5341	320	1	chem	chem	PROPN
american_scientific_journal-5341	320	2	.	.	PUNCT
american_scientific_journal-5341	321	1	rev	rev	PROPN
american_scientific_journal-5341	321	2	.	.	PROPN
american_scientific_journal-5341	321	3	,	,	PUNCT
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american_scientific_journal-5341	321	5	-	-	PUNCT
american_scientific_journal-5341	321	6	1315	1315	NUM
american_scientific_journal-5341	321	7	,	,	PUNCT
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american_scientific_journal-5341	321	9	.	.	PUNCT
american_scientific_journal-5341	322	1	https://doi.org/10.1021/cr990359	https://doi.org/10.1021/cr990359	PROPN
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american_scientific_journal-5341	323	2	45	45	NUM
american_scientific_journal-5341	323	3	]	]	PUNCT
american_scientific_journal-5341	323	4	.	.	PUNCT
american_scientific_journal-5341	324	1	e.	e.	PROPN
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american_scientific_journal-5341	324	3	,	,	PUNCT
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american_scientific_journal-5341	324	5	.	.	PROPN
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american_scientific_journal-5341	324	7	,	,	PUNCT
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american_scientific_journal-5341	325	11	.	.	PUNCT
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american_scientific_journal-5341	326	5	,	,	PUNCT
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american_scientific_journal-5341	326	7	-	-	SYM
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american_scientific_journal-5341	326	9	,	,	PUNCT
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american_scientific_journal-5341	326	11	.	.	PUNCT
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