id	sid	tid	token	lemma	pos
eurjchem-496	1	1	untitled	untitle	VERB
eurjchem-496	1	2	european	european	PROPN
eurjchem-496	1	3	journal	journal	PROPN
eurjchem-496	1	4	of	of	ADP
eurjchem-496	1	5	chemistry	chemistry	NOUN
eurjchem-496	1	6	2	2	NUM
eurjchem-496	1	7	(	(	PUNCT
eurjchem-496	1	8	4	4	NUM
eurjchem-496	1	9	)	)	PUNCT
eurjchem-496	1	10	(	(	PUNCT
eurjchem-496	1	11	2011	2011	NUM
eurjchem-496	1	12	)	)	PUNCT
eurjchem-496	1	13	469‐474	469‐474	PROPN
eurjchem-496	1	14	european	european	PROPN
eurjchem-496	1	15	journal	journal	PROPN
eurjchem-496	1	16	of	of	ADP
eurjchem-496	1	17	chemistry	chemistry	NOUN
eurjchem-496	1	18	issn	issn	PROPN
eurjchem-496	1	19	2153‐2249	2153‐2249	PROPN
eurjchem-496	1	20	(	(	PUNCT
eurjchem-496	1	21	print	print	NOUN
eurjchem-496	1	22	)	)	PUNCT
eurjchem-496	1	23	/	/	SYM
eurjchem-496	1	24	issn	issn	PROPN
eurjchem-496	1	25	2153‐2257	2153‐2257	NUM
eurjchem-496	1	26	(	(	PUNCT
eurjchem-496	1	27	online	online	ADJ
eurjchem-496	1	28	)	)	PUNCT
eurjchem-496	1	29			NOUN
eurjchem-496	1	30	2011	2011	NUM
eurjchem-496	1	31	eurjchem	eurjchem	PROPN
eurjchem-496	1	32	doi:10.5155	doi:10.5155	PROPN
eurjchem-496	1	33	/	/	SYM
eurjchem-496	1	34	eurjchem.2.4.469‐474.496	eurjchem.2.4.469‐474.496	NOUN
eurjchem-496	1	35	european	european	ADJ
eurjchem-496	1	36	journal	journal	PROPN
eurjchem-496	1	37	of	of	ADP
eurjchem-496	1	38	chemistry	chemistry	PROPN
eurjchem-496	1	39	journal	journal	PROPN
eurjchem-496	1	40	homepage	homepage	NOUN
eurjchem-496	1	41	:	:	PUNCT
eurjchem-496	1	42	www.eurjchem.com	www.eurjchem.com	X
eurjchem-496	1	43	a	a	DET
eurjchem-496	1	44	dft	dft	PROPN
eurjchem-496	1	45	study	study	NOUN
eurjchem-496	1	46	for	for	ADP
eurjchem-496	1	47	the	the	DET
eurjchem-496	1	48	structures	structure	NOUN
eurjchem-496	1	49	and	and	CCONJ
eurjchem-496	1	50	electronic	electronic	ADJ
eurjchem-496	1	51	spectra	spectra	NOUN
eurjchem-496	1	52	of	of	ADP
eurjchem-496	1	53	2,3‐dihydropyridine‐4‐ones	2,3‐dihydropyridine‐4‐one	NOUN
eurjchem-496	1	54	bahjat	bahjat	PROPN
eurjchem-496	1	55	ali	ali	PROPN
eurjchem-496	1	56	saeeda	saeeda	NOUN
eurjchem-496	1	57	,	,	PUNCT
eurjchem-496	1	58	*	*	PUNCT
eurjchem-496	1	59	and	and	CCONJ
eurjchem-496	1	60	rita	rita	PROPN
eurjchem-496	1	61	sabah	sabah	PROPN
eurjchem-496	1	62	eliasb	eliasb	PROPN
eurjchem-496	1	63	a	a	DET
eurjchem-496	1	64	department	department	NOUN
eurjchem-496	1	65	of	of	ADP
eurjchem-496	1	66	chemistry	chemistry	NOUN
eurjchem-496	1	67	,	,	PUNCT
eurjchem-496	1	68	college	college	NOUN
eurjchem-496	1	69	of	of	ADP
eurjchem-496	1	70	education	education	NOUN
eurjchem-496	1	71	,	,	PUNCT
eurjchem-496	1	72	university	university	NOUN
eurjchem-496	1	73	of	of	ADP
eurjchem-496	1	74	basrah	basrah	PROPN
eurjchem-496	1	75	,	,	PUNCT
eurjchem-496	1	76	basrah‐16001	basrah‐16001	PROPN
eurjchem-496	1	77	,	,	PUNCT
eurjchem-496	1	78	iraq	iraq	PROPN
eurjchem-496	1	79	b	b	PROPN
eurjchem-496	1	80	department	department	PROPN
eurjchem-496	1	81	of	of	ADP
eurjchem-496	1	82	pharmaceutical	pharmaceutical	ADJ
eurjchem-496	1	83	chemistry	chemistry	NOUN
eurjchem-496	1	84	,	,	PUNCT
eurjchem-496	1	85	college	college	NOUN
eurjchem-496	1	86	of	of	ADP
eurjchem-496	1	87	pharmacy	pharmacy	NOUN
eurjchem-496	1	88	,	,	PUNCT
eurjchem-496	1	89	university	university	NOUN
eurjchem-496	1	90	of	of	ADP
eurjchem-496	1	91	basrah	basrah	PROPN
eurjchem-496	1	92	,	,	PUNCT
eurjchem-496	1	93	basrah‐16001	basrah‐16001	PROPN
eurjchem-496	1	94	,	,	PUNCT
eurjchem-496	1	95	iraq	iraq	PROPN
eurjchem-496	1	96	*	*	PUNCT
eurjchem-496	1	97	corresponding	correspond	VERB
eurjchem-496	1	98	author	author	NOUN
eurjchem-496	1	99	at	at	ADP
eurjchem-496	1	100	:	:	PUNCT
eurjchem-496	1	101	department	department	NOUN
eurjchem-496	1	102	of	of	ADP
eurjchem-496	1	103	chemistry	chemistry	NOUN
eurjchem-496	1	104	,	,	PUNCT
eurjchem-496	1	105	college	college	NOUN
eurjchem-496	1	106	of	of	ADP
eurjchem-496	1	107	education	education	NOUN
eurjchem-496	1	108	,	,	PUNCT
eurjchem-496	1	109	university	university	NOUN
eurjchem-496	1	110	of	of	ADP
eurjchem-496	1	111	basrah	basrah	PROPN
eurjchem-496	1	112	,	,	PUNCT
eurjchem-496	1	113	basrah‐16001	basrah‐16001	PROPN
eurjchem-496	1	114	,	,	PUNCT
eurjchem-496	1	115	iraq	iraq	PROPN
eurjchem-496	1	116	.	.	PUNCT
eurjchem-496	2	1	tel	tel	PROPN
eurjchem-496	2	2	.	.	PROPN
eurjchem-496	2	3	:	:	PUNCT
eurjchem-496	2	4	+7802410050	+7802410050	ADJ
eurjchem-496	2	5	;	;	PUNCT
eurjchem-496	2	6	fax	fax	NOUN
eurjchem-496	2	7	:	:	PUNCT
eurjchem-496	2	8	+4433274766	+4433274766	X
eurjchem-496	2	9	.	.	PUNCT
eurjchem-496	2	10	e‐mail	e‐mail	PUNCT
eurjchem-496	3	1	address	address	NOUN
eurjchem-496	3	2	:	:	PUNCT
eurjchem-496	3	3	bahjat.saeed@yahoo.com	bahjat.saeed@yahoo.com	X
eurjchem-496	3	4	(	(	PUNCT
eurjchem-496	3	5	b.a	b.a	PROPN
eurjchem-496	3	6	.	.	PROPN
eurjchem-496	3	7	saeed	saeed	PROPN
eurjchem-496	3	8	)	)	PUNCT
eurjchem-496	3	9	.	.	PUNCT
eurjchem-496	4	1	article	article	NOUN
eurjchem-496	4	2	information	information	PROPN
eurjchem-496	4	3	abstract	abstract	ADV
eurjchem-496	4	4	received	receive	VERB
eurjchem-496	4	5	:	:	PUNCT
eurjchem-496	4	6	29	29	NUM
eurjchem-496	4	7	july	july	NOUN
eurjchem-496	4	8	2011	2011	NUM
eurjchem-496	4	9	received	receive	VERB
eurjchem-496	4	10	in	in	ADP
eurjchem-496	4	11	revised	revise	VERB
eurjchem-496	4	12	form	form	NOUN
eurjchem-496	4	13	:	:	PUNCT
eurjchem-496	4	14	17	17	NUM
eurjchem-496	4	15	august	august	PROPN
eurjchem-496	4	16	2011	2011	NUM
eurjchem-496	4	17	accepted	accept	VERB
eurjchem-496	4	18	:	:	PUNCT
eurjchem-496	4	19	17	17	NUM
eurjchem-496	4	20	august	august	PROPN
eurjchem-496	4	21	2011	2011	NUM
eurjchem-496	4	22	online	online	NOUN
eurjchem-496	4	23	:	:	PUNCT
eurjchem-496	4	24	31	31	NUM
eurjchem-496	4	25	december	december	PROPN
eurjchem-496	4	26	2011	2011	NUM
eurjchem-496	4	27	keywords	keyword	VERB
eurjchem-496	4	28	the	the	DET
eurjchem-496	4	29	molecular	molecular	ADJ
eurjchem-496	4	30	structure	structure	NOUN
eurjchem-496	4	31	and	and	CCONJ
eurjchem-496	4	32	electronic	electronic	ADJ
eurjchem-496	4	33	spectra	spectra	NOUN
eurjchem-496	4	34	of	of	ADP
eurjchem-496	4	35	eleven	eleven	PROPN
eurjchem-496	4	36	dihydropyridones	dihydropyridone	NOUN
eurjchem-496	4	37	were	be	AUX
eurjchem-496	4	38	theoretically	theoretically	ADV
eurjchem-496	4	39	studied	study	VERB
eurjchem-496	4	40	utilizing	utilize	VERB
eurjchem-496	4	41	density	density	NOUN
eurjchem-496	4	42	functional	functional	ADJ
eurjchem-496	4	43	(	(	PUNCT
eurjchem-496	4	44	dft	dft	NOUN
eurjchem-496	4	45	)	)	PUNCT
eurjchem-496	4	46	method	method	NOUN
eurjchem-496	4	47	.	.	PUNCT
eurjchem-496	5	1	the	the	DET
eurjchem-496	5	2	structures	structure	NOUN
eurjchem-496	5	3	were	be	AUX
eurjchem-496	5	4	optimized	optimize	VERB
eurjchem-496	5	5	using	use	VERB
eurjchem-496	5	6	b3lyp/6‐31g(d	b3lyp/6‐31g(d	PROPN
eurjchem-496	5	7	,	,	PUNCT
eurjchem-496	5	8	p	p	NOUN
eurjchem-496	5	9	)	)	PUNCT
eurjchem-496	5	10	level	level	NOUN
eurjchem-496	5	11	of	of	ADP
eurjchem-496	5	12	theory	theory	NOUN
eurjchem-496	5	13	.	.	PUNCT
eurjchem-496	6	1	the	the	DET
eurjchem-496	6	2	conformations	conformation	NOUN
eurjchem-496	6	3	of	of	ADP
eurjchem-496	6	4	the	the	DET
eurjchem-496	6	5	molecules	molecule	NOUN
eurjchem-496	6	6	were	be	AUX
eurjchem-496	6	7	analyzed	analyze	VERB
eurjchem-496	6	8	with	with	ADP
eurjchem-496	6	9	respect	respect	NOUN
eurjchem-496	6	10	to	to	ADP
eurjchem-496	6	11	substituents	substituent	NOUN
eurjchem-496	6	12	.	.	PUNCT
eurjchem-496	7	1	the	the	DET
eurjchem-496	7	2	central	central	ADJ
eurjchem-496	7	3	six‐membered	six‐membere	VERB
eurjchem-496	7	4	dihydropyridone	dihydropyridone	NOUN
eurjchem-496	7	5	ring	ring	NOUN
eurjchem-496	7	6	adopted	adopt	VERB
eurjchem-496	7	7	a	a	DET
eurjchem-496	7	8	half‐chair	half‐chair	NOUN
eurjchem-496	7	9	conformation	conformation	NOUN
eurjchem-496	7	10	.	.	PUNCT
eurjchem-496	8	1	the	the	DET
eurjchem-496	8	2	geometries	geometry	NOUN
eurjchem-496	8	3	did	do	AUX
eurjchem-496	8	4	not	not	PART
eurjchem-496	8	5	differ	differ	VERB
eurjchem-496	8	6	significantly	significantly	ADV
eurjchem-496	8	7	except	except	SCONJ
eurjchem-496	8	8	for	for	ADP
eurjchem-496	8	9	conformations	conformation	NOUN
eurjchem-496	8	10	of	of	ADP
eurjchem-496	8	11	the	the	DET
eurjchem-496	8	12	phenyl	phenyl	NOUN
eurjchem-496	8	13	or	or	CCONJ
eurjchem-496	8	14	styryl	styryl	NOUN
eurjchem-496	8	15	substituents	substituent	NOUN
eurjchem-496	8	16	.	.	PUNCT
eurjchem-496	9	1	the	the	DET
eurjchem-496	9	2	only	only	ADJ
eurjchem-496	9	3	substituents	substituent	NOUN
eurjchem-496	9	4	that	that	PRON
eurjchem-496	9	5	affected	affect	VERB
eurjchem-496	9	6	the	the	DET
eurjchem-496	9	7	structure	structure	NOUN
eurjchem-496	9	8	of	of	ADP
eurjchem-496	9	9	the	the	DET
eurjchem-496	9	10	central	central	ADJ
eurjchem-496	9	11	ring	ring	NOUN
eurjchem-496	9	12	are	be	AUX
eurjchem-496	9	13	those	those	PRON
eurjchem-496	9	14	which	which	PRON
eurjchem-496	9	15	have	have	VERB
eurjchem-496	9	16	conjugation	conjugation	NOUN
eurjchem-496	9	17	overlap	overlap	NOUN
eurjchem-496	9	18	with	with	ADP
eurjchem-496	9	19	the	the	DET
eurjchem-496	9	20	‐c	‐c	PROPN
eurjchem-496	9	21	=	=	NOUN
eurjchem-496	9	22	c‐c	c‐c	PROPN
eurjchem-496	9	23	=	=	NOUN
eurjchem-496	9	24	o	o	NOUN
eurjchem-496	9	25	system	system	NOUN
eurjchem-496	9	26	within	within	ADP
eurjchem-496	9	27	the	the	DET
eurjchem-496	9	28	ring	ring	NOUN
eurjchem-496	9	29	.	.	PUNCT
eurjchem-496	10	1	dipole	dipole	NOUN
eurjchem-496	10	2	moments	moment	NOUN
eurjchem-496	10	3	and	and	CCONJ
eurjchem-496	10	4	natural	natural	ADJ
eurjchem-496	10	5	charges	charge	NOUN
eurjchem-496	10	6	were	be	AUX
eurjchem-496	10	7	calculated	calculate	VERB
eurjchem-496	10	8	and	and	CCONJ
eurjchem-496	10	9	it	it	PRON
eurjchem-496	10	10	was	be	AUX
eurjchem-496	10	11	found	find	VERB
eurjchem-496	10	12	that	that	SCONJ
eurjchem-496	10	13	in	in	ADP
eurjchem-496	10	14	most	most	ADJ
eurjchem-496	10	15	cases	case	NOUN
eurjchem-496	10	16	substitution	substitution	NOUN
eurjchem-496	10	17	leads	lead	VERB
eurjchem-496	10	18	to	to	ADP
eurjchem-496	10	19	higher	high	ADJ
eurjchem-496	10	20	dipoles	dipole	NOUN
eurjchem-496	10	21	,	,	PUNCT
eurjchem-496	10	22	and	and	CCONJ
eurjchem-496	10	23	both	both	PRON
eurjchem-496	10	24	methyl	methyl	NOUN
eurjchem-496	10	25	and	and	CCONJ
eurjchem-496	10	26	phenyl	phenyl	NOUN
eurjchem-496	10	27	substituents	substituent	NOUN
eurjchem-496	10	28	have	have	VERB
eurjchem-496	10	29	the	the	DET
eurjchem-496	10	30	same	same	ADJ
eurjchem-496	10	31	effect	effect	NOUN
eurjchem-496	10	32	on	on	ADP
eurjchem-496	10	33	the	the	DET
eurjchem-496	10	34	atomic	atomic	ADJ
eurjchem-496	10	35	charge	charge	NOUN
eurjchem-496	10	36	distribution	distribution	NOUN
eurjchem-496	10	37	leading	lead	VERB
eurjchem-496	10	38	to	to	PART
eurjchem-496	10	39	decrease	decrease	VERB
eurjchem-496	10	40	the	the	DET
eurjchem-496	10	41	atomic	atomic	ADJ
eurjchem-496	10	42	charge	charge	NOUN
eurjchem-496	10	43	on	on	ADP
eurjchem-496	10	44	the	the	DET
eurjchem-496	10	45	substitution	substitution	NOUN
eurjchem-496	10	46	site	site	NOUN
eurjchem-496	10	47	.	.	PUNCT
eurjchem-496	11	1	wiberg	wiberg	PROPN
eurjchem-496	11	2	bond	bond	NOUN
eurjchem-496	11	3	indices	index	NOUN
eurjchem-496	11	4	were	be	AUX
eurjchem-496	11	5	also	also	ADV
eurjchem-496	11	6	calculated	calculate	VERB
eurjchem-496	11	7	and	and	CCONJ
eurjchem-496	11	8	used	use	VERB
eurjchem-496	11	9	to	to	PART
eurjchem-496	11	10	analyze	analyze	VERB
eurjchem-496	11	11	the	the	DET
eurjchem-496	11	12	substitution	substitution	NOUN
eurjchem-496	11	13	effect	effect	NOUN
eurjchem-496	11	14	on	on	ADP
eurjchem-496	11	15	the	the	DET
eurjchem-496	11	16	electronic	electronic	ADJ
eurjchem-496	11	17	properties	property	NOUN
eurjchem-496	11	18	of	of	ADP
eurjchem-496	11	19	the	the	DET
eurjchem-496	11	20	molecules	molecule	NOUN
eurjchem-496	11	21	.	.	PUNCT
eurjchem-496	12	1	it	it	PRON
eurjchem-496	12	2	is	be	AUX
eurjchem-496	12	3	concluded	conclude	VERB
eurjchem-496	12	4	that	that	SCONJ
eurjchem-496	12	5	substitution	substitution	NOUN
eurjchem-496	12	6	on	on	ADP
eurjchem-496	12	7	atoms	atom	NOUN
eurjchem-496	12	8	that	that	PRON
eurjchem-496	12	9	are	be	AUX
eurjchem-496	12	10	not	not	PART
eurjchem-496	12	11	a	a	DET
eurjchem-496	12	12	part	part	NOUN
eurjchem-496	12	13	of	of	ADP
eurjchem-496	12	14	the	the	DET
eurjchem-496	12	15	n‐c	n‐c	PROPN
eurjchem-496	12	16	=	=	PROPN
eurjchem-496	12	17	c‐c	c‐c	PROPN
eurjchem-496	12	18	=	=	NOUN
eurjchem-496	12	19	o	o	NOUN
eurjchem-496	12	20	system	system	NOUN
eurjchem-496	12	21	have	have	VERB
eurjchem-496	12	22	practically	practically	ADV
eurjchem-496	12	23	no	no	DET
eurjchem-496	12	24	effect	effect	NOUN
eurjchem-496	12	25	on	on	ADP
eurjchem-496	12	26	both	both	CCONJ
eurjchem-496	12	27	structural	structural	ADJ
eurjchem-496	12	28	and	and	CCONJ
eurjchem-496	12	29	electronic	electronic	ADJ
eurjchem-496	12	30	properties	property	NOUN
eurjchem-496	12	31	of	of	ADP
eurjchem-496	12	32	the	the	DET
eurjchem-496	12	33	molecules	molecule	NOUN
eurjchem-496	12	34	.	.	PUNCT
eurjchem-496	13	1	the	the	DET
eurjchem-496	13	2	electronic	electronic	ADJ
eurjchem-496	13	3	spectra	spectra	NOUN
eurjchem-496	13	4	were	be	AUX
eurjchem-496	13	5	also	also	ADV
eurjchem-496	13	6	calculated	calculate	VERB
eurjchem-496	13	7	using	use	VERB
eurjchem-496	13	8	the	the	DET
eurjchem-496	13	9	zindo	zindo	PROPN
eurjchem-496	13	10	method	method	NOUN
eurjchem-496	13	11	.	.	PUNCT
eurjchem-496	14	1	the	the	DET
eurjchem-496	14	2	predicted	predict	VERB
eurjchem-496	14	3	spectra	spectra	NOUN
eurjchem-496	14	4	are	be	AUX
eurjchem-496	14	5	in	in	ADP
eurjchem-496	14	6	good	good	ADJ
eurjchem-496	14	7	agreement	agreement	NOUN
eurjchem-496	14	8	with	with	ADP
eurjchem-496	14	9	experimental	experimental	ADJ
eurjchem-496	14	10	spectra	spectra	NOUN
eurjchem-496	14	11	concerning	concern	VERB
eurjchem-496	14	12	the	the	DET
eurjchem-496	14	13	long	long	ADJ
eurjchem-496	14	14	wavelength	wavelength	NOUN
eurjchem-496	14	15	absorption	absorption	NOUN
eurjchem-496	14	16	band	band	NOUN
eurjchem-496	14	17	.	.	PUNCT
eurjchem-496	15	1	the	the	DET
eurjchem-496	15	2	electronic	electronic	ADJ
eurjchem-496	15	3	transitions	transition	NOUN
eurjchem-496	15	4	were	be	AUX
eurjchem-496	15	5	either	either	CCONJ
eurjchem-496	15	6	pure	pure	ADJ
eurjchem-496	15	7	homo	homo	NOUN
eurjchem-496	15	8	to	to	ADP
eurjchem-496	15	9	lumo	lumo	NOUN
eurjchem-496	15	10	transitions	transition	NOUN
eurjchem-496	15	11	or	or	CCONJ
eurjchem-496	15	12	comprises	comprise	VERB
eurjchem-496	15	13	components	component	NOUN
eurjchem-496	15	14	of	of	ADP
eurjchem-496	15	15	homo	homo	NOUN
eurjchem-496	15	16	to	to	ADP
eurjchem-496	15	17	lumo	lumo	NOUN
eurjchem-496	15	18	and	and	CCONJ
eurjchem-496	15	19	other	other	ADJ
eurjchem-496	15	20	transitions	transition	NOUN
eurjchem-496	15	21	like	like	ADP
eurjchem-496	15	22	h‐1	h‐1	PROPN
eurjchem-496	15	23	to	to	ADP
eurjchem-496	15	24	l	l	PROPN
eurjchem-496	15	25	,	,	PUNCT
eurjchem-496	15	26	h	h	NOUN
eurjchem-496	15	27	to	to	ADP
eurjchem-496	15	28	l+2	l+2	VERB
eurjchem-496	15	29	,	,	PUNCT
eurjchem-496	15	30	h‐1	h‐1	PROPN
eurjchem-496	15	31	to	to	ADP
eurjchem-496	15	32	l+1	l+1	PROPN
eurjchem-496	15	33	,	,	PUNCT
eurjchem-496	15	34	h‐2	h‐2	NOUN
eurjchem-496	15	35	to	to	ADP
eurjchem-496	15	36	l+1	l+1	PROPN
eurjchem-496	15	37	.	.	PUNCT
eurjchem-496	16	1	dft	dft	PROPN
eurjchem-496	16	2	electronic	electronic	ADJ
eurjchem-496	16	3	spectra	spectra	PROPN
eurjchem-496	16	4	wiberg	wiberg	PROPN
eurjchem-496	16	5	bond	bond	PROPN
eurjchem-496	16	6	index	index	NOUN
eurjchem-496	16	7	2,3‐dihydropyridones	2,3‐dihydropyridones	NUM
eurjchem-496	16	8	calcium	calcium	NOUN
eurjchem-496	16	9	channel	channel	NOUN
eurjchem-496	16	10	modulators	modulator	NOUN
eurjchem-496	16	11	isoelectronic	isoelectronic	ADJ
eurjchem-496	16	12	potential	potential	ADJ
eurjchem-496	16	13	surfaces	surface	NOUN
eurjchem-496	16	14	1	1	NUM
eurjchem-496	16	15	.	.	PUNCT
eurjchem-496	17	1	introduction	introduction	NOUN
eurjchem-496	17	2	dihydropyridones	dihydropyridone	NOUN
eurjchem-496	17	3	are	be	AUX
eurjchem-496	17	4	important	important	ADJ
eurjchem-496	17	5	intermediates	intermediate	NOUN
eurjchem-496	17	6	for	for	ADP
eurjchem-496	17	7	the	the	DET
eurjchem-496	17	8	synthesis	synthesis	NOUN
eurjchem-496	17	9	of	of	ADP
eurjchem-496	17	10	natural	natural	ADJ
eurjchem-496	17	11	products	product	NOUN
eurjchem-496	17	12	,	,	PUNCT
eurjchem-496	17	13	particularly	particularly	ADV
eurjchem-496	17	14	alkaloids	alkaloid	NOUN
eurjchem-496	17	15	,	,	PUNCT
eurjchem-496	17	16	and	and	CCONJ
eurjchem-496	17	17	have	have	AUX
eurjchem-496	17	18	been	be	AUX
eurjchem-496	17	19	investigated	investigate	VERB
eurjchem-496	17	20	extensively	extensively	ADV
eurjchem-496	17	21	as	as	ADP
eurjchem-496	17	22	valuable	valuable	ADJ
eurjchem-496	17	23	building	building	NOUN
eurjchem-496	17	24	blocks	block	NOUN
eurjchem-496	17	25	for	for	ADP
eurjchem-496	17	26	the	the	DET
eurjchem-496	17	27	construction	construction	NOUN
eurjchem-496	17	28	of	of	ADP
eurjchem-496	17	29	piperidines	piperidine	NOUN
eurjchem-496	17	30	,	,	PUNCT
eurjchem-496	17	31	perhydroquinolines	perhydroquinoline	NOUN
eurjchem-496	17	32	,	,	PUNCT
eurjchem-496	17	33	indolizidines	indolizidine	NOUN
eurjchem-496	17	34	,	,	PUNCT
eurjchem-496	17	35	and	and	CCONJ
eurjchem-496	17	36	other	other	ADJ
eurjchem-496	17	37	alkaloids	alkaloid	NOUN
eurjchem-496	17	38	ring	ring	NOUN
eurjchem-496	17	39	systems	system	NOUN
eurjchem-496	17	40	possessing	possess	VERB
eurjchem-496	17	41	a	a	DET
eurjchem-496	17	42	wide	wide	ADJ
eurjchem-496	17	43	range	range	NOUN
eurjchem-496	17	44	of	of	ADP
eurjchem-496	17	45	biological	biological	ADJ
eurjchem-496	17	46	and	and	CCONJ
eurjchem-496	17	47	pharmacological	pharmacological	ADJ
eurjchem-496	17	48	properties	property	NOUN
eurjchem-496	17	49	[	[	X
eurjchem-496	17	50	1	1	NUM
eurjchem-496	17	51	]	]	PUNCT
eurjchem-496	17	52	.	.	PUNCT
eurjchem-496	18	1	many	many	ADJ
eurjchem-496	18	2	synthetic	synthetic	ADJ
eurjchem-496	18	3	ways	way	NOUN
eurjchem-496	18	4	were	be	AUX
eurjchem-496	18	5	applied	apply	VERB
eurjchem-496	18	6	for	for	ADP
eurjchem-496	18	7	their	their	PRON
eurjchem-496	18	8	production	production	NOUN
eurjchem-496	18	9	,	,	PUNCT
eurjchem-496	18	10	which	which	PRON
eurjchem-496	18	11	includes	include	VERB
eurjchem-496	18	12	different	different	ADJ
eurjchem-496	18	13	routes	route	NOUN
eurjchem-496	18	14	like	like	ADP
eurjchem-496	18	15	hetero	hetero	NOUN
eurjchem-496	18	16	diels‐alder	diels‐alder	NOUN
eurjchem-496	18	17	reactions	reaction	NOUN
eurjchem-496	18	18	or	or	CCONJ
eurjchem-496	18	19	stepwise	stepwise	NOUN
eurjchem-496	18	20	,	,	PUNCT
eurjchem-496	18	21	formal	formal	ADJ
eurjchem-496	18	22	[	[	X
eurjchem-496	18	23	4	4	NUM
eurjchem-496	18	24	+	+	NOUN
eurjchem-496	18	25	2	2	NUM
eurjchem-496	18	26	]	]	PUNCT
eurjchem-496	18	27	transformation	transformation	NOUN
eurjchem-496	18	28	involving	involve	VERB
eurjchem-496	18	29	imines	imine	NOUN
eurjchem-496	18	30	[	[	X
eurjchem-496	18	31	2‐4	2‐4	NUM
eurjchem-496	18	32	]	]	PUNCT
eurjchem-496	18	33	.	.	PUNCT
eurjchem-496	19	1	comins	comin	NOUN
eurjchem-496	19	2	has	have	AUX
eurjchem-496	19	3	exploited	exploit	VERB
eurjchem-496	19	4	the	the	DET
eurjchem-496	19	5	addition	addition	NOUN
eurjchem-496	19	6	of	of	ADP
eurjchem-496	19	7	grignard	grignard	ADJ
eurjchem-496	19	8	reagents	reagent	NOUN
eurjchem-496	19	9	to	to	ADP
eurjchem-496	19	10	1‐	1‐	ADJ
eurjchem-496	19	11	acyl‐4‐methoxy	acyl‐4‐methoxy	ADJ
eurjchem-496	19	12	pyridimium	pyridimium	NOUN
eurjchem-496	19	13	salts	salt	NOUN
eurjchem-496	19	14	[	[	X
eurjchem-496	19	15	5‐9	5‐9	NOUN
eurjchem-496	19	16	]	]	PUNCT
eurjchem-496	19	17	.	.	PUNCT
eurjchem-496	20	1	they	they	PRON
eurjchem-496	20	2	have	have	AUX
eurjchem-496	20	3	been	be	AUX
eurjchem-496	20	4	also	also	ADV
eurjchem-496	20	5	synthesized	synthesize	VERB
eurjchem-496	20	6	via	via	ADP
eurjchem-496	20	7	cyclization	cyclization	NOUN
eurjchem-496	20	8	of	of	ADP
eurjchem-496	20	9	α	α	PROPN
eurjchem-496	20	10	,	,	PUNCT
eurjchem-496	20	11	β‐unsaturated	β‐unsaturated	NUM
eurjchem-496	20	12	1,3‐diketones	1,3‐diketone	NOUN
eurjchem-496	20	13	in	in	ADP
eurjchem-496	20	14	acidic	acidic	ADJ
eurjchem-496	20	15	medium	medium	NOUN
eurjchem-496	20	16	[	[	X
eurjchem-496	20	17	10	10	NUM
eurjchem-496	20	18	]	]	PUNCT
eurjchem-496	20	19	.	.	PUNCT
eurjchem-496	21	1	a	a	DET
eurjchem-496	21	2	facile	facile	ADJ
eurjchem-496	21	3	route	route	NOUN
eurjchem-496	21	4	to	to	ADP
eurjchem-496	21	5	functionalized	functionalized	ADJ
eurjchem-496	21	6	dihydropyridones	dihydropyridone	NOUN
eurjchem-496	21	7	has	have	AUX
eurjchem-496	21	8	been	be	AUX
eurjchem-496	21	9	developed	develop	VERB
eurjchem-496	21	10	via	via	ADP
eurjchem-496	21	11	formal	formal	ADJ
eurjchem-496	21	12	[	[	X
eurjchem-496	21	13	5c+1n	5c+1n	NUM
eurjchem-496	21	14	]	]	PUNCT
eurjchem-496	21	15	annulationsof	annulationsof	NOUN
eurjchem-496	21	16	α‐alkynoyl	α‐alkynoyl	X
eurjchem-496	21	17	ketene‐(s	ketene‐(s	PROPN
eurjchem-496	21	18	,	,	PUNCT
eurjchem-496	21	19	s)‐acetals	s)‐acetal	NOUN
eurjchem-496	21	20	with	with	ADP
eurjchem-496	21	21	aliphatic	aliphatic	ADJ
eurjchem-496	21	22	amines	amine	NOUN
eurjchem-496	21	23	[	[	X
eurjchem-496	21	24	11	11	NUM
eurjchem-496	21	25	]	]	PUNCT
eurjchem-496	21	26	.	.	PUNCT
eurjchem-496	22	1	we	we	PRON
eurjchem-496	22	2	previously	previously	ADV
eurjchem-496	22	3	reported	report	VERB
eurjchem-496	22	4	the	the	DET
eurjchem-496	22	5	microwave‐assisted	microwave‐assiste	VERB
eurjchem-496	22	6	formation	formation	NOUN
eurjchem-496	22	7	of	of	ADP
eurjchem-496	22	8	2,3‐dihydro‐4‐pyridinones	2,3‐dihydro‐4‐pyridinone	NOUN
eurjchem-496	22	9	from	from	ADP
eurjchem-496	22	10	curcumins	curcumin	NOUN
eurjchem-496	22	11	and	and	CCONJ
eurjchem-496	22	12	simple	simple	ADJ
eurjchem-496	22	13	primary	primary	ADJ
eurjchem-496	22	14	amines	amine	NOUN
eurjchem-496	22	15	[	[	X
eurjchem-496	22	16	1,12	1,12	NUM
eurjchem-496	22	17	]	]	PUNCT
eurjchem-496	22	18	.	.	PUNCT
eurjchem-496	23	1	dihydropyridones	dihydropyridone	NOUN
eurjchem-496	23	2	are	be	AUX
eurjchem-496	23	3	known	know	VERB
eurjchem-496	23	4	as	as	ADP
eurjchem-496	23	5	the	the	DET
eurjchem-496	23	6	most	most	ADV
eurjchem-496	23	7	important	important	ADJ
eurjchem-496	23	8	class	class	NOUN
eurjchem-496	23	9	of	of	ADP
eurjchem-496	23	10	calcium	calcium	NOUN
eurjchem-496	23	11	channels	channel	NOUN
eurjchem-496	23	12	modulators	modulator	NOUN
eurjchem-496	23	13	[	[	X
eurjchem-496	23	14	13	13	NUM
eurjchem-496	23	15	]	]	PUNCT
eurjchem-496	23	16	.	.	PUNCT
eurjchem-496	24	1	they	they	PRON
eurjchem-496	24	2	are	be	AUX
eurjchem-496	24	3	also	also	ADV
eurjchem-496	24	4	known	know	VERB
eurjchem-496	24	5	for	for	ADP
eurjchem-496	24	6	a	a	DET
eurjchem-496	24	7	variety	variety	NOUN
eurjchem-496	24	8	of	of	ADP
eurjchem-496	24	9	biological	biological	ADJ
eurjchem-496	24	10	activities	activity	NOUN
eurjchem-496	24	11	like	like	ADP
eurjchem-496	24	12	antiproliferative	antiproliferative	NOUN
eurjchem-496	24	13	and	and	CCONJ
eurjchem-496	24	14	antitubiolin	antitubiolin	NOUN
eurjchem-496	24	15	activities	activity	NOUN
eurjchem-496	24	16	[	[	X
eurjchem-496	24	17	14	14	NUM
eurjchem-496	24	18	]	]	PUNCT
eurjchem-496	24	19	,	,	PUNCT
eurjchem-496	24	20	and	and	CCONJ
eurjchem-496	24	21	as	as	ADP
eurjchem-496	24	22	potential	potential	ADJ
eurjchem-496	24	23	selective	selective	ADJ
eurjchem-496	24	24	inhibitors	inhibitor	NOUN
eurjchem-496	24	25	of	of	ADP
eurjchem-496	24	26	receptor	receptor	NOUN
eurjchem-496	24	27	tyrosin	tyrosin	PROPN
eurjchem-496	24	28	kinase	kinase	PROPN
eurjchem-496	25	1	[	[	X
eurjchem-496	25	2	15	15	NUM
eurjchem-496	25	3	]	]	PUNCT
eurjchem-496	25	4	.	.	PUNCT
eurjchem-496	26	1	in	in	ADP
eurjchem-496	26	2	addition	addition	NOUN
eurjchem-496	26	3	they	they	PRON
eurjchem-496	26	4	have	have	VERB
eurjchem-496	26	5	the	the	DET
eurjchem-496	26	6	ability	ability	NOUN
eurjchem-496	26	7	to	to	PART
eurjchem-496	26	8	induce	induce	VERB
eurjchem-496	26	9	leukaemic	leukaemic	ADJ
eurjchem-496	26	10	cell	cell	NOUN
eurjchem-496	26	11	differentiation	differentiation	NOUN
eurjchem-496	26	12	[	[	X
eurjchem-496	26	13	16	16	NUM
eurjchem-496	26	14	]	]	PUNCT
eurjchem-496	26	15	and	and	CCONJ
eurjchem-496	26	16	antimalarial	antimalarial	ADJ
eurjchem-496	26	17	activity	activity	NOUN
eurjchem-496	26	18	[	[	X
eurjchem-496	26	19	17	17	NUM
eurjchem-496	26	20	]	]	PUNCT
eurjchem-496	26	21	as	as	ADV
eurjchem-496	26	22	well	well	ADV
eurjchem-496	26	23	as	as	ADP
eurjchem-496	26	24	their	their	PRON
eurjchem-496	26	25	anticonvulsant	anticonvulsant	ADJ
eurjchem-496	26	26	activity	activity	NOUN
eurjchem-496	26	27	against	against	ADP
eurjchem-496	26	28	acutely	acutely	ADV
eurjchem-496	26	29	elicited	elicit	VERB
eurjchem-496	26	30	seizures	seizure	NOUN
eurjchem-496	26	31	[	[	X
eurjchem-496	26	32	18	18	NUM
eurjchem-496	26	33	]	]	PUNCT
eurjchem-496	26	34	.	.	PUNCT
eurjchem-496	27	1	theoretical	theoretical	ADJ
eurjchem-496	27	2	studies	study	NOUN
eurjchem-496	27	3	using	use	VERB
eurjchem-496	27	4	am1	am1	PROPN
eurjchem-496	27	5	semi	semi	ADV
eurjchem-496	27	6	empirical	empirical	ADJ
eurjchem-496	27	7	method	method	NOUN
eurjchem-496	27	8	[	[	X
eurjchem-496	27	9	13,19	13,19	NUM
eurjchem-496	27	10	]	]	PUNCT
eurjchem-496	27	11	depicted	depict	VERB
eurjchem-496	27	12	a	a	DET
eurjchem-496	27	13	twisted	twisted	ADJ
eurjchem-496	27	14	boat	boat	NOUN
eurjchem-496	27	15	conformation	conformation	NOUN
eurjchem-496	27	16	for	for	ADP
eurjchem-496	27	17	3,4‐	3,4‐	NUM
eurjchem-496	27	18	dihydropyridones	dihydropyridone	NOUN
eurjchem-496	27	19	and	and	CCONJ
eurjchem-496	27	20	that	that	SCONJ
eurjchem-496	27	21	the	the	DET
eurjchem-496	27	22	4‐phenyl	4‐phenyl	NUM
eurjchem-496	27	23	substituents	substituent	NOUN
eurjchem-496	27	24	in	in	ADP
eurjchem-496	27	25	these	these	DET
eurjchem-496	27	26	compounds	compound	NOUN
eurjchem-496	27	27	lies	lie	VERB
eurjchem-496	27	28	at	at	ADP
eurjchem-496	27	29	a	a	DET
eurjchem-496	27	30	pseudo‐axial	pseudo‐axial	ADJ
eurjchem-496	27	31	position	position	NOUN
eurjchem-496	27	32	.	.	PUNCT
eurjchem-496	28	1	this	this	PRON
eurjchem-496	28	2	was	be	AUX
eurjchem-496	28	3	confirmed	confirm	VERB
eurjchem-496	28	4	by	by	ADP
eurjchem-496	28	5	x‐ray	x‐ray	ADJ
eurjchem-496	28	6	analyses	analysis	NOUN
eurjchem-496	28	7	[	[	X
eurjchem-496	28	8	13,19	13,19	NOUN
eurjchem-496	28	9	]	]	PUNCT
eurjchem-496	28	10	which	which	PRON
eurjchem-496	28	11	showed	show	VERB
eurjchem-496	28	12	also	also	ADV
eurjchem-496	28	13	that	that	SCONJ
eurjchem-496	28	14	the	the	DET
eurjchem-496	28	15	4‐phenyl	4‐phenyl	NUM
eurjchem-496	28	16	ring	ring	NOUN
eurjchem-496	28	17	is	be	AUX
eurjchem-496	28	18	orthogonal	orthogonal	ADJ
eurjchem-496	28	19	to	to	ADP
eurjchem-496	28	20	the	the	DET
eurjchem-496	28	21	main	main	ADJ
eurjchem-496	28	22	plane	plane	NOUN
eurjchem-496	28	23	of	of	ADP
eurjchem-496	28	24	the	the	DET
eurjchem-496	28	25	molecule	molecule	NOUN
eurjchem-496	28	26	concerned	concern	VERB
eurjchem-496	28	27	.	.	PUNCT
eurjchem-496	29	1	the	the	DET
eurjchem-496	29	2	work	work	NOUN
eurjchem-496	29	3	presents	present	VERB
eurjchem-496	29	4	a	a	DET
eurjchem-496	29	5	theoretical	theoretical	ADJ
eurjchem-496	29	6	study	study	NOUN
eurjchem-496	29	7	for	for	ADP
eurjchem-496	29	8	the	the	DET
eurjchem-496	29	9	investigation	investigation	NOUN
eurjchem-496	29	10	of	of	ADP
eurjchem-496	29	11	the	the	DET
eurjchem-496	29	12	structural	structural	ADJ
eurjchem-496	29	13	and	and	CCONJ
eurjchem-496	29	14	electronic	electronic	ADJ
eurjchem-496	29	15	properties	property	NOUN
eurjchem-496	29	16	of	of	ADP
eurjchem-496	29	17	2,3‐dihydropyridin‐	2,3‐dihydropyridin‐	NUM
eurjchem-496	29	18	4‐ones	4‐one	NOUN
eurjchem-496	29	19	and	and	CCONJ
eurjchem-496	29	20	the	the	DET
eurjchem-496	29	21	effect	effect	NOUN
eurjchem-496	29	22	of	of	ADP
eurjchem-496	29	23	the	the	DET
eurjchem-496	29	24	substitutes	substitute	NOUN
eurjchem-496	29	25	on	on	ADP
eurjchem-496	29	26	these	these	DET
eurjchem-496	29	27	properties	property	NOUN
eurjchem-496	29	28	.	.	PUNCT
eurjchem-496	30	1	2	2	X
eurjchem-496	30	2	.	.	X
eurjchem-496	30	3	experimental	experimental	ADJ
eurjchem-496	30	4	uv‐visible	uv‐visible	ADJ
eurjchem-496	30	5	spectra	spectra	NOUN
eurjchem-496	30	6	of	of	ADP
eurjchem-496	30	7	compound	compound	NOUN
eurjchem-496	30	8	9	9	NUM
eurjchem-496	30	9	were	be	AUX
eurjchem-496	30	10	taken	take	VERB
eurjchem-496	30	11	from	from	ADP
eurjchem-496	30	12	previously	previously	ADV
eurjchem-496	30	13	published	publish	VERB
eurjchem-496	30	14	work	work	NOUN
eurjchem-496	30	15	[	[	X
eurjchem-496	30	16	20	20	NUM
eurjchem-496	30	17	]	]	PUNCT
eurjchem-496	30	18	,	,	PUNCT
eurjchem-496	30	19	while	while	SCONJ
eurjchem-496	30	20	those	those	PRON
eurjchem-496	30	21	of	of	ADP
eurjchem-496	30	22	the	the	DET
eurjchem-496	30	23	compounds	compound	NOUN
eurjchem-496	30	24	10	10	NUM
eurjchem-496	30	25	and	and	CCONJ
eurjchem-496	30	26	11	11	NUM
eurjchem-496	30	27	were	be	AUX
eurjchem-496	30	28	recorded	record	VERB
eurjchem-496	30	29	from	from	ADP
eurjchem-496	30	30	dilute	dilute	ADJ
eurjchem-496	30	31	solutions	solution	NOUN
eurjchem-496	30	32	[	[	X
eurjchem-496	30	33	5x10‐5	5x10‐5	NUM
eurjchem-496	30	34	m	m	NOUN
eurjchem-496	30	35	]	]	X
eurjchem-496	30	36	in	in	ADP
eurjchem-496	30	37	1	1	NUM
eurjchem-496	30	38	cm	cm	NOUN
eurjchem-496	30	39	quartz	quartz	NOUN
eurjchem-496	30	40	cuvettes	cuvette	NOUN
eurjchem-496	30	41	,	,	PUNCT
eurjchem-496	30	42	utilizing	utilize	VERB
eurjchem-496	30	43	a	a	DET
eurjchem-496	30	44	t80	t80	NOUN
eurjchem-496	30	45	+	+	CCONJ
eurjchem-496	30	46	uv	uv	NOUN
eurjchem-496	30	47	/	/	SYM
eurjchem-496	30	48	visible	visible	ADJ
eurjchem-496	30	49	spectrophoto‐	spectrophoto‐	NOUN
eurjchem-496	30	50	meter	meter	NOUN
eurjchem-496	30	51	.	.	PUNCT
eurjchem-496	31	1	the	the	DET
eurjchem-496	31	2	quantum	quantum	PROPN
eurjchem-496	31	3	chemical	chemical	NOUN
eurjchem-496	31	4	calculations	calculation	NOUN
eurjchem-496	31	5	were	be	AUX
eurjchem-496	31	6	performed	perform	VERB
eurjchem-496	31	7	for	for	ADP
eurjchem-496	31	8	11	11	NUM
eurjchem-496	31	9	dihydropyridones	dihydropyridone	NOUN
eurjchem-496	31	10	(	(	PUNCT
eurjchem-496	31	11	shown	show	VERB
eurjchem-496	31	12	in	in	ADP
eurjchem-496	31	13	figure	figure	NOUN
eurjchem-496	31	14	1	1	NUM
eurjchem-496	31	15	)	)	PUNCT
eurjchem-496	31	16	with	with	ADP
eurjchem-496	31	17	the	the	DET
eurjchem-496	31	18	firefly	firefly	PROPN
eurjchem-496	31	19	qc	qc	PROPN
eurjchem-496	31	20	package	package	PROPN
eurjchem-496	31	21	[	[	X
eurjchem-496	31	22	21	21	NUM
eurjchem-496	31	23	]	]	X
eurjchem-496	31	24	,	,	PUNCT
eurjchem-496	31	25	which	which	PRON
eurjchem-496	31	26	is	be	AUX
eurjchem-496	31	27	partially	partially	ADV
eurjchem-496	31	28	based	base	VERB
eurjchem-496	31	29	on	on	ADP
eurjchem-496	31	30	the	the	DET
eurjchem-496	31	31	gamess	gamess	NOUN
eurjchem-496	31	32	(	(	PUNCT
eurjchem-496	31	33	us	we	PRON
eurjchem-496	31	34	)	)	PUNCT
eurjchem-496	32	1	[	[	X
eurjchem-496	32	2	22	22	NUM
eurjchem-496	32	3	]	]	PUNCT
eurjchem-496	32	4	source	source	NOUN
eurjchem-496	32	5	code	code	NOUN
eurjchem-496	32	6	.	.	PUNCT
eurjchem-496	33	1	geometrical	geometrical	ADJ
eurjchem-496	33	2	optimizations	optimization	NOUN
eurjchem-496	33	3	were	be	AUX
eurjchem-496	33	4	carried	carry	VERB
eurjchem-496	33	5	out	out	ADP
eurjchem-496	33	6	using	use	VERB
eurjchem-496	33	7	density	density	NOUN
eurjchem-496	33	8	functional	functional	ADJ
eurjchem-496	33	9	theory	theory	NOUN
eurjchem-496	33	10	(	(	PUNCT
eurjchem-496	33	11	dft	dft	PROPN
eurjchem-496	33	12	)	)	PUNCT
eurjchem-496	33	13	method	method	NOUN
eurjchem-496	33	14	at	at	ADP
eurjchem-496	33	15	b3lyp/6‐31g(d	b3lyp/6‐31g(d	PROPN
eurjchem-496	33	16	,	,	PUNCT
eurjchem-496	33	17	p	p	NOUN
eurjchem-496	33	18	)	)	PUNCT
eurjchem-496	33	19	level	level	NOUN
eurjchem-496	33	20	of	of	ADP
eurjchem-496	33	21	theory	theory	NOUN
eurjchem-496	33	22	.	.	PUNCT
eurjchem-496	34	1	b3lyp	b3lyp	PROPN
eurjchem-496	34	2	refers	refer	VERB
eurjchem-496	34	3	to	to	ADP
eurjchem-496	34	4	the	the	DET
eurjchem-496	34	5	combination	combination	NOUN
eurjchem-496	34	6	of	of	ADP
eurjchem-496	34	7	functional	functional	ADJ
eurjchem-496	34	8	hybrid	hybrid	ADJ
eurjchem-496	34	9	exchange	exchange	NOUN
eurjchem-496	34	10	of	of	ADP
eurjchem-496	34	11	becke	becke	NOUN
eurjchem-496	35	1	[	[	X
eurjchem-496	35	2	23	23	NUM
eurjchem-496	35	3	]	]	PUNCT
eurjchem-496	35	4	with	with	ADP
eurjchem-496	35	5	functional	functional	ADJ
eurjchem-496	35	6	correlation	correlation	NOUN
eurjchem-496	35	7	gradient	gradient	NOUN
eurjchem-496	35	8	of	of	ADP
eurjchem-496	35	9	lee	lee	PROPN
eurjchem-496	35	10	and	and	CCONJ
eurjchem-496	35	11	yang	yang	PROPN
eurjchem-496	36	1	[	[	X
eurjchem-496	36	2	24	24	NUM
eurjchem-496	36	3	]	]	PUNCT
eurjchem-496	36	4	.	.	PUNCT
eurjchem-496	37	1	470	470	NUM
eurjchem-496	37	2	saeed	saeed	NOUN
eurjchem-496	37	3	and	and	CCONJ
eurjchem-496	37	4	elias	elias	PROPN
eurjchem-496	37	5	/	/	SYM
eurjchem-496	37	6	european	european	PROPN
eurjchem-496	37	7	journal	journal	PROPN
eurjchem-496	37	8	of	of	ADP
eurjchem-496	37	9	chemistry	chemistry	NOUN
eurjchem-496	37	10	2	2	NUM
eurjchem-496	37	11	(	(	PUNCT
eurjchem-496	37	12	4	4	NUM
eurjchem-496	37	13	)	)	PUNCT
eurjchem-496	37	14	(	(	PUNCT
eurjchem-496	37	15	2011	2011	NUM
eurjchem-496	37	16	)	)	PUNCT
eurjchem-496	37	17	469‐474	469‐474	NOUN
eurjchem-496	37	18	1	1	NUM
eurjchem-496	37	19	2	2	NUM
eurjchem-496	37	20	3	3	NUM
eurjchem-496	37	21	4	4	NUM
eurjchem-496	37	22	5	5	NUM
eurjchem-496	37	23	6	6	NUM
eurjchem-496	37	24	7	7	NUM
eurjchem-496	37	25	8	8	NUM
eurjchem-496	37	26	9	9	NUM
eurjchem-496	37	27	10	10	NUM
eurjchem-496	37	28	11	11	NUM
eurjchem-496	37	29	figure	figure	NOUN
eurjchem-496	37	30	1	1	NUM
eurjchem-496	37	31	.	.	PUNCT
eurjchem-496	38	1	the	the	DET
eurjchem-496	38	2	chemical	chemical	NOUN
eurjchem-496	38	3	structures	structure	NOUN
eurjchem-496	38	4	of	of	ADP
eurjchem-496	38	5	dihydropyridones	dihydropyridone	NOUN
eurjchem-496	38	6	studied	study	VERB
eurjchem-496	38	7	.	.	PUNCT
eurjchem-496	39	1	for	for	ADP
eurjchem-496	39	2	the	the	DET
eurjchem-496	39	3	same	same	ADJ
eurjchem-496	39	4	level	level	NOUN
eurjchem-496	39	5	of	of	ADP
eurjchem-496	39	6	theory	theory	NOUN
eurjchem-496	39	7	,	,	PUNCT
eurjchem-496	39	8	vibrational	vibrational	ADJ
eurjchem-496	39	9	frequencies	frequency	NOUN
eurjchem-496	39	10	for	for	ADP
eurjchem-496	39	11	all	all	DET
eurjchem-496	39	12	molecules	molecule	NOUN
eurjchem-496	39	13	were	be	AUX
eurjchem-496	39	14	calculated	calculate	VERB
eurjchem-496	39	15	to	to	PART
eurjchem-496	39	16	verify	verify	VERB
eurjchem-496	39	17	that	that	SCONJ
eurjchem-496	39	18	the	the	DET
eurjchem-496	39	19	structure	structure	NOUN
eurjchem-496	39	20	converged	converge	VERB
eurjchem-496	39	21	to	to	ADP
eurjchem-496	39	22	a	a	DET
eurjchem-496	39	23	minimum	minimum	NOUN
eurjchem-496	39	24	using	use	VERB
eurjchem-496	39	25	the	the	DET
eurjchem-496	39	26	zero	zero	NUM
eurjchem-496	39	27	imaginary	imaginary	ADJ
eurjchem-496	39	28	frequencies	frequency	NOUN
eurjchem-496	39	29	criterion	criterion	NOUN
eurjchem-496	39	30	.	.	PUNCT
eurjchem-496	40	1	molecular	molecular	ADJ
eurjchem-496	40	2	orbitals	orbital	NOUN
eurjchem-496	40	3	,	,	PUNCT
eurjchem-496	40	4	as	as	ADV
eurjchem-496	40	5	well	well	ADV
eurjchem-496	40	6	as	as	ADP
eurjchem-496	40	7	the	the	DET
eurjchem-496	40	8	charges	charge	NOUN
eurjchem-496	40	9	assigned	assign	VERB
eurjchem-496	40	10	to	to	ADP
eurjchem-496	40	11	each	each	DET
eurjchem-496	40	12	atom	atom	NOUN
eurjchem-496	40	13	,	,	PUNCT
eurjchem-496	40	14	were	be	AUX
eurjchem-496	40	15	made	make	VERB
eurjchem-496	40	16	by	by	ADP
eurjchem-496	40	17	natural	natural	ADJ
eurjchem-496	40	18	population	population	NOUN
eurjchem-496	40	19	analysis	analysis	NOUN
eurjchem-496	40	20	phase	phase	NOUN
eurjchem-496	40	21	of	of	ADP
eurjchem-496	40	22	the	the	DET
eurjchem-496	40	23	natural	natural	ADJ
eurjchem-496	40	24	bond	bond	NOUN
eurjchem-496	40	25	analysis	analysis	NOUN
eurjchem-496	40	26	[	[	X
eurjchem-496	40	27	25	25	NUM
eurjchem-496	40	28	]	]	PUNCT
eurjchem-496	40	29	,	,	PUNCT
eurjchem-496	40	30	using	use	VERB
eurjchem-496	40	31	nbo	nbo	PROPN
eurjchem-496	40	32	software	software	NOUN
eurjchem-496	40	33	version	version	NOUN
eurjchem-496	40	34	5	5	NUM
eurjchem-496	40	35	at	at	ADP
eurjchem-496	40	36	b3lyp/6‐31g(d	b3lyp/6‐31g(d	PROPN
eurjchem-496	40	37	,	,	PUNCT
eurjchem-496	40	38	p	p	NOUN
eurjchem-496	40	39	)	)	PUNCT
eurjchem-496	40	40	level	level	NOUN
eurjchem-496	40	41	of	of	ADP
eurjchem-496	40	42	theory	theory	NOUN
eurjchem-496	40	43	.	.	PUNCT
eurjchem-496	41	1	excited	excited	ADJ
eurjchem-496	41	2	states	state	NOUN
eurjchem-496	41	3	were	be	AUX
eurjchem-496	41	4	done	do	VERB
eurjchem-496	41	5	with	with	ADP
eurjchem-496	41	6	the	the	DET
eurjchem-496	41	7	semi	semi	ADJ
eurjchem-496	41	8	empirical	empirical	ADJ
eurjchem-496	41	9	zndo	zndo	NOUN
eurjchem-496	41	10	method	method	NOUN
eurjchem-496	41	11	using	use	VERB
eurjchem-496	41	12	the	the	DET
eurjchem-496	41	13	orca	orca	NOUN
eurjchem-496	41	14	program	program	NOUN
eurjchem-496	41	15	package	package	NOUN
eurjchem-496	41	16	[	[	X
eurjchem-496	41	17	26	26	NUM
eurjchem-496	41	18	]	]	PUNCT
eurjchem-496	41	19	.	.	PUNCT
eurjchem-496	42	1	3	3	X
eurjchem-496	42	2	.	.	NOUN
eurjchem-496	42	3	results	result	NOUN
eurjchem-496	42	4	and	and	CCONJ
eurjchem-496	42	5	discussion	discussion	NOUN
eurjchem-496	42	6	3.1	3.1	NUM
eurjchem-496	42	7	.	.	PUNCT
eurjchem-496	43	1	structures	structure	NOUN
eurjchem-496	43	2	of	of	ADP
eurjchem-496	43	3	dihydropyridones	dihydropyridone	NOUN
eurjchem-496	43	4	the	the	DET
eurjchem-496	43	5	structures	structure	NOUN
eurjchem-496	43	6	of	of	ADP
eurjchem-496	43	7	dihydropyridones	dihydropyridone	NOUN
eurjchem-496	43	8	studied	study	VERB
eurjchem-496	43	9	are	be	AUX
eurjchem-496	43	10	shown	show	VERB
eurjchem-496	43	11	in	in	ADP
eurjchem-496	43	12	figure	figure	NOUN
eurjchem-496	43	13	1	1	NUM
eurjchem-496	43	14	.	.	NUM
eurjchem-496	43	15	selected	select	VERB
eurjchem-496	43	16	structural	structural	ADJ
eurjchem-496	43	17	properties	property	NOUN
eurjchem-496	43	18	calculated	calculate	VERB
eurjchem-496	43	19	theoretically	theoretically	ADV
eurjchem-496	43	20	in	in	ADP
eurjchem-496	43	21	this	this	DET
eurjchem-496	43	22	study	study	NOUN
eurjchem-496	43	23	are	be	AUX
eurjchem-496	43	24	given	give	VERB
eurjchem-496	43	25	in	in	ADP
eurjchem-496	43	26	table	table	NOUN
eurjchem-496	43	27	1	1	NUM
eurjchem-496	43	28	.	.	PUNCT
eurjchem-496	44	1	some	some	PRON
eurjchem-496	44	2	of	of	ADP
eurjchem-496	44	3	representative	representative	ADJ
eurjchem-496	44	4	optimized	optimize	VERB
eurjchem-496	44	5	geometries	geometry	NOUN
eurjchem-496	44	6	are	be	AUX
eurjchem-496	44	7	given	give	VERB
eurjchem-496	44	8	in	in	ADP
eurjchem-496	44	9	figure	figure	NOUN
eurjchem-496	44	10	2	2	NUM
eurjchem-496	44	11	.	.	PUNCT
eurjchem-496	44	12	b3lyp	b3lyp	PROPN
eurjchem-496	44	13	has	have	AUX
eurjchem-496	44	14	long	long	ADV
eurjchem-496	44	15	been	be	AUX
eurjchem-496	44	16	recognized	recognize	VERB
eurjchem-496	44	17	as	as	ADP
eurjchem-496	44	18	a	a	DET
eurjchem-496	44	19	good	good	ADJ
eurjchem-496	44	20	tool	tool	NOUN
eurjchem-496	44	21	due	due	ADP
eurjchem-496	44	22	to	to	ADP
eurjchem-496	44	23	the	the	DET
eurjchem-496	44	24	fact	fact	NOUN
eurjchem-496	44	25	that	that	SCONJ
eurjchem-496	44	26	it	it	PRON
eurjchem-496	44	27	is	be	AUX
eurjchem-496	44	28	computationally	computationally	ADV
eurjchem-496	44	29	less	less	ADV
eurjchem-496	44	30	demanding	demanding	ADJ
eurjchem-496	44	31	for	for	ADP
eurjchem-496	44	32	inclusion	inclusion	NOUN
eurjchem-496	44	33	of	of	ADP
eurjchem-496	44	34	electron	electron	NOUN
eurjchem-496	44	35	correlation	correlation	NOUN
eurjchem-496	44	36	and	and	CCONJ
eurjchem-496	44	37	could	could	AUX
eurjchem-496	44	38	provide	provide	VERB
eurjchem-496	44	39	accurate	accurate	ADJ
eurjchem-496	44	40	geometries	geometry	NOUN
eurjchem-496	44	41	[	[	X
eurjchem-496	44	42	27	27	NUM
eurjchem-496	44	43	]	]	X
eurjchem-496	44	44	;	;	PUNCT
eurjchem-496	44	45	meanwhile	meanwhile	ADV
eurjchem-496	44	46	,	,	PUNCT
eurjchem-496	44	47	a	a	DET
eurjchem-496	44	48	previous	previous	ADJ
eurjchem-496	44	49	study	study	NOUN
eurjchem-496	44	50	[	[	X
eurjchem-496	44	51	28	28	NUM
eurjchem-496	44	52	]	]	PUNCT
eurjchem-496	44	53	also	also	ADV
eurjchem-496	44	54	indicated	indicate	VERB
eurjchem-496	44	55	,	,	PUNCT
eurjchem-496	44	56	that	that	SCONJ
eurjchem-496	44	57	for	for	ADP
eurjchem-496	44	58	pyridinthiones	pyridinthione	NOUN
eurjchem-496	44	59	,	,	PUNCT
eurjchem-496	44	60	a	a	DET
eurjchem-496	44	61	related	related	ADJ
eurjchem-496	44	62	compound	compound	NOUN
eurjchem-496	44	63	to	to	ADP
eurjchem-496	44	64	pyridines	pyridine	NOUN
eurjchem-496	44	65	,	,	PUNCT
eurjchem-496	44	66	the	the	DET
eurjchem-496	44	67	predicted	predict	VERB
eurjchem-496	44	68	structural	structural	ADJ
eurjchem-496	44	69	properties	property	NOUN
eurjchem-496	44	70	with	with	ADP
eurjchem-496	44	71	b3lyp	b3lyp	NUM
eurjchem-496	44	72	method	method	NOUN
eurjchem-496	44	73	were	be	AUX
eurjchem-496	44	74	agreed	agree	VERB
eurjchem-496	44	75	well	well	ADV
eurjchem-496	44	76	with	with	ADP
eurjchem-496	44	77	the	the	DET
eurjchem-496	44	78	experimental	experimental	ADJ
eurjchem-496	44	79	x‐ray	x‐ray	PROPN
eurjchem-496	44	80	data	data	PROPN
eurjchem-496	44	81	.	.	PUNCT
eurjchem-496	45	1	accordingly	accordingly	ADV
eurjchem-496	45	2	b3lyp	b3lyp	SYM
eurjchem-496	45	3	exchange‐correlation	exchange‐correlation	NOUN
eurjchem-496	45	4	functional	functional	NOUN
eurjchem-496	45	5	is	be	AUX
eurjchem-496	45	6	adopted	adopt	VERB
eurjchem-496	45	7	for	for	ADP
eurjchem-496	45	8	structural	structural	ADJ
eurjchem-496	45	9	analysis	analysis	NOUN
eurjchem-496	45	10	.	.	PUNCT
eurjchem-496	46	1	the	the	DET
eurjchem-496	46	2	geometries	geometry	NOUN
eurjchem-496	46	3	,	,	PUNCT
eurjchem-496	46	4	with	with	ADP
eurjchem-496	46	5	respect	respect	NOUN
eurjchem-496	46	6	to	to	ADP
eurjchem-496	46	7	molecule	molecule	NOUN
eurjchem-496	46	8	1	1	NUM
eurjchem-496	46	9	,	,	PUNCT
eurjchem-496	46	10	do	do	AUX
eurjchem-496	46	11	not	not	PART
eurjchem-496	46	12	differ	differ	VERB
eurjchem-496	46	13	significantly	significantly	ADV
eurjchem-496	46	14	,	,	PUNCT
eurjchem-496	46	15	except	except	SCONJ
eurjchem-496	46	16	for	for	ADP
eurjchem-496	46	17	the	the	DET
eurjchem-496	46	18	conformation	conformation	NOUN
eurjchem-496	46	19	of	of	ADP
eurjchem-496	46	20	the	the	DET
eurjchem-496	46	21	phenyl	phenyl	NOUN
eurjchem-496	46	22	rings	ring	NOUN
eurjchem-496	46	23	and	and	CCONJ
eurjchem-496	46	24	the	the	DET
eurjchem-496	46	25	styryl	styryl	ADJ
eurjchem-496	46	26	residue	residue	NOUN
eurjchem-496	46	27	at	at	ADP
eurjchem-496	46	28	the	the	DET
eurjchem-496	46	29	atoms	atom	NOUN
eurjchem-496	46	30	n1	n1	NOUN
eurjchem-496	46	31	,	,	PUNCT
eurjchem-496	46	32	c2	c2	PROPN
eurjchem-496	46	33	and	and	CCONJ
eurjchem-496	46	34	c6	c6	PROPN
eurjchem-496	46	35	.	.	PUNCT
eurjchem-496	47	1	the	the	DET
eurjchem-496	47	2	values	value	NOUN
eurjchem-496	47	3	obtained	obtain	VERB
eurjchem-496	47	4	for	for	ADP
eurjchem-496	47	5	the	the	DET
eurjchem-496	47	6	lengths	length	NOUN
eurjchem-496	47	7	of	of	ADP
eurjchem-496	47	8	bond	bond	NOUN
eurjchem-496	47	9	of	of	ADP
eurjchem-496	47	10	the	the	DET
eurjchem-496	47	11	same	same	ADJ
eurjchem-496	47	12	nature	nature	NOUN
eurjchem-496	47	13	do	do	AUX
eurjchem-496	47	14	not	not	PART
eurjchem-496	47	15	differ	differ	VERB
eurjchem-496	47	16	significantly	significantly	ADV
eurjchem-496	47	17	within	within	ADP
eurjchem-496	47	18	the	the	DET
eurjchem-496	47	19	molecules	molecule	NOUN
eurjchem-496	47	20	1‐4	1‐4	NOUN
eurjchem-496	47	21	.	.	PUNCT
eurjchem-496	48	1	in	in	ADP
eurjchem-496	48	2	these	these	DET
eurjchem-496	48	3	molecules	molecule	NOUN
eurjchem-496	48	4	the	the	DET
eurjchem-496	48	5	carbonyl	carbonyl	NOUN
eurjchem-496	48	6	bond	bond	NOUN
eurjchem-496	48	7	length	length	NOUN
eurjchem-496	48	8	is	be	AUX
eurjchem-496	48	9	1.226	1.226	NUM
eurjchem-496	48	10	å	å	NOUN
eurjchem-496	48	11	while	while	SCONJ
eurjchem-496	48	12	the	the	DET
eurjchem-496	48	13	bonds	bond	NOUN
eurjchem-496	48	14	c3‐c4	c3‐c4	VERB
eurjchem-496	48	15	and	and	CCONJ
eurjchem-496	48	16	c2‐c3	c2‐c3	NOUN
eurjchem-496	48	17	have	have	AUX
eurjchem-496	48	18	lengths	length	NOUN
eurjchem-496	48	19	within	within	ADP
eurjchem-496	48	20	the	the	DET
eurjchem-496	48	21	ranges	range	NOUN
eurjchem-496	48	22	1.454‐1.458	1.454‐1.458	NUM
eurjchem-496	48	23	and	and	CCONJ
eurjchem-496	48	24	1.360‐1.368	1.360‐1.368	NUM
eurjchem-496	48	25	å	å	NOUN
eurjchem-496	48	26	,	,	PUNCT
eurjchem-496	48	27	respectively	respectively	ADV
eurjchem-496	48	28	.	.	PUNCT
eurjchem-496	49	1	introducing	introduce	VERB
eurjchem-496	49	2	the	the	DET
eurjchem-496	49	3	styryl	styryl	NOUN
eurjchem-496	49	4	group	group	NOUN
eurjchem-496	49	5	at	at	ADP
eurjchem-496	49	6	the	the	DET
eurjchem-496	49	7	atom	atom	NOUN
eurjchem-496	49	8	c2	c2	PROPN
eurjchem-496	49	9	leads	lead	VERB
eurjchem-496	49	10	to	to	ADP
eurjchem-496	49	11	some	some	DET
eurjchem-496	49	12	changes	change	NOUN
eurjchem-496	49	13	in	in	ADP
eurjchem-496	49	14	the	the	DET
eurjchem-496	49	15	geometry	geometry	NOUN
eurjchem-496	49	16	,	,	PUNCT
eurjchem-496	49	17	for	for	ADP
eurjchem-496	49	18	example	example	NOUN
eurjchem-496	49	19	in	in	ADP
eurjchem-496	49	20	molecule	molecule	NOUN
eurjchem-496	49	21	8	8	NUM
eurjchem-496	49	22	the	the	DET
eurjchem-496	49	23	bonds	bond	NOUN
eurjchem-496	49	24	c	c	NOUN
eurjchem-496	49	25	=	=	SYM
eurjchem-496	49	26	o	o	NOUN
eurjchem-496	49	27	,	,	PUNCT
eurjchem-496	49	28	c4‐c3	c4‐c3	NOUN
eurjchem-496	49	29	and	and	CCONJ
eurjchem-496	49	30	c2‐c3	c2‐c3	NOUN
eurjchem-496	49	31	become	become	VERB
eurjchem-496	49	32	1.228	1.228	NUM
eurjchem-496	49	33	,	,	PUNCT
eurjchem-496	49	34	1.452	1.452	NUM
eurjchem-496	49	35	and	and	CCONJ
eurjchem-496	49	36	1.373	1.373	NUM
eurjchem-496	49	37	å	å	PROPN
eurjchem-496	49	38	in	in	ADP
eurjchem-496	49	39	length	length	NOUN
eurjchem-496	49	40	,	,	PUNCT
eurjchem-496	49	41	respectively	respectively	ADV
eurjchem-496	49	42	.	.	PUNCT
eurjchem-496	50	1	this	this	PRON
eurjchem-496	50	2	also	also	ADV
eurjchem-496	50	3	is	be	AUX
eurjchem-496	50	4	the	the	DET
eurjchem-496	50	5	case	case	NOUN
eurjchem-496	50	6	with	with	ADP
eurjchem-496	50	7	molecules	molecule	NOUN
eurjchem-496	50	8	9‐11	9‐11	NUM
eurjchem-496	50	9	.	.	PUNCT
eurjchem-496	51	1	in	in	ADP
eurjchem-496	51	2	general	general	ADJ
eurjchem-496	51	3	for	for	ADP
eurjchem-496	51	4	molecules	molecule	NOUN
eurjchem-496	51	5	8‐11	8‐11	NUM
eurjchem-496	51	6	the	the	DET
eurjchem-496	51	7	single	single	ADJ
eurjchem-496	51	8	bonds	bond	NOUN
eurjchem-496	51	9	become	become	VERB
eurjchem-496	51	10	shorter	short	ADJ
eurjchem-496	51	11	while	while	SCONJ
eurjchem-496	51	12	double	double	ADJ
eurjchem-496	51	13	bonds	bond	NOUN
eurjchem-496	51	14	become	become	VERB
eurjchem-496	51	15	longer	long	ADJ
eurjchem-496	51	16	which	which	PRON
eurjchem-496	51	17	presumably	presumably	ADV
eurjchem-496	51	18	due	due	ADP
eurjchem-496	51	19	to	to	ADP
eurjchem-496	51	20	conjugation	conjugation	NOUN
eurjchem-496	51	21	overlap	overlap	NOUN
eurjchem-496	51	22	.	.	PUNCT
eurjchem-496	52	1	the	the	DET
eurjchem-496	52	2	six‐membered	six‐membere	VERB
eurjchem-496	52	3	dihydropyridone	dihydropyridone	NOUN
eurjchem-496	52	4	ring	ring	NOUN
eurjchem-496	52	5	is	be	AUX
eurjchem-496	52	6	bent	bent	ADJ
eurjchem-496	52	7	at	at	ADP
eurjchem-496	52	8	the	the	DET
eurjchem-496	52	9	atoms	atom	NOUN
eurjchem-496	52	10	n1	n1	NOUN
eurjchem-496	52	11	and	and	CCONJ
eurjchem-496	52	12	c5	c5	PROPN
eurjchem-496	52	13	adopting	adopt	VERB
eurjchem-496	52	14	a	a	DET
eurjchem-496	52	15	half	half	NOUN
eurjchem-496	52	16	chair	chair	NOUN
eurjchem-496	52	17	conformation	conformation	NOUN
eurjchem-496	52	18	(	(	PUNCT
eurjchem-496	52	19	figure	figure	NOUN
eurjchem-496	52	20	2	2	NUM
eurjchem-496	52	21	)	)	PUNCT
eurjchem-496	52	22	in	in	ADP
eurjchem-496	52	23	which	which	PRON
eurjchem-496	52	24	n1	n1	NOUN
eurjchem-496	52	25	is	be	AUX
eurjchem-496	52	26	out	out	ADP
eurjchem-496	52	27	of	of	ADP
eurjchem-496	52	28	the	the	DET
eurjchem-496	52	29	main	main	ADJ
eurjchem-496	52	30	plane	plane	NOUN
eurjchem-496	52	31	of	of	ADP
eurjchem-496	52	32	the	the	DET
eurjchem-496	52	33	ring	ring	NOUN
eurjchem-496	52	34	.	.	PUNCT
eurjchem-496	53	1	the	the	DET
eurjchem-496	53	2	phenyl	phenyl	NOUN
eurjchem-496	53	3	rings	ring	NOUN
eurjchem-496	53	4	substituted	substitute	VERB
eurjchem-496	53	5	at	at	ADP
eurjchem-496	53	6	the	the	DET
eurjchem-496	53	7	atoms	atom	NOUN
eurjchem-496	53	8	n1	n1	NOUN
eurjchem-496	53	9	,	,	PUNCT
eurjchem-496	53	10	c2	c2	PROPN
eurjchem-496	53	11	and	and	CCONJ
eurjchem-496	53	12	c6	c6	PROPN
eurjchem-496	53	13	in	in	ADP
eurjchem-496	53	14	all	all	DET
eurjchem-496	53	15	cases	case	NOUN
eurjchem-496	53	16	have	have	VERB
eurjchem-496	53	17	their	their	PRON
eurjchem-496	53	18	planes	plane	NOUN
eurjchem-496	53	19	tilted	tilt	VERB
eurjchem-496	53	20	to	to	ADP
eurjchem-496	53	21	the	the	DET
eurjchem-496	53	22	plane	plane	NOUN
eurjchem-496	53	23	of	of	ADP
eurjchem-496	53	24	the	the	DET
eurjchem-496	53	25	dihydropyridone	dihydropyridone	NOUN
eurjchem-496	53	26	ring	ring	NOUN
eurjchem-496	53	27	by	by	ADP
eurjchem-496	53	28	dihedral	dihedral	ADJ
eurjchem-496	53	29	angles	angle	NOUN
eurjchem-496	53	30	within	within	ADP
eurjchem-496	53	31	the	the	DET
eurjchem-496	53	32	range	range	NOUN
eurjchem-496	53	33	36‐	36‐	NUM
eurjchem-496	53	34	77	77	NUM
eurjchem-496	53	35	°	°	NOUN
eurjchem-496	53	36	.	.	PUNCT
eurjchem-496	54	1	the	the	DET
eurjchem-496	54	2	values	value	NOUN
eurjchem-496	54	3	calculated	calculate	VERB
eurjchem-496	54	4	for	for	ADP
eurjchem-496	54	5	the	the	DET
eurjchem-496	54	6	bonds	bond	NOUN
eurjchem-496	54	7	c	c	NOUN
eurjchem-496	54	8	=	=	SYM
eurjchem-496	54	9	o	o	NOUN
eurjchem-496	54	10	,	,	PUNCT
eurjchem-496	54	11	n1‐c2	n1‐c2	PROPN
eurjchem-496	54	12	,	,	PUNCT
eurjchem-496	54	13	c2‐c3	c2‐c3	NOUN
eurjchem-496	54	14	and	and	CCONJ
eurjchem-496	54	15	c3‐c4	c3‐c4	NOUN
eurjchem-496	54	16	,	,	PUNCT
eurjchem-496	54	17	c4‐c5	c4‐c5	ADJ
eurjchem-496	54	18	and	and	CCONJ
eurjchem-496	54	19	c5‐c6	c5‐c6	VERB
eurjchem-496	54	20	in	in	ADP
eurjchem-496	54	21	molecule	molecule	NOUN
eurjchem-496	54	22	10	10	NUM
eurjchem-496	54	23	are	be	AUX
eurjchem-496	54	24	in	in	ADP
eurjchem-496	54	25	good	good	ADJ
eurjchem-496	54	26	agreement	agreement	NOUN
eurjchem-496	54	27	with	with	ADP
eurjchem-496	54	28	reported	report	VERB
eurjchem-496	54	29	experimental	experimental	ADJ
eurjchem-496	54	30	from	from	ADP
eurjchem-496	54	31	x‐ray	x‐ray	PROPN
eurjchem-496	54	32	data	datum	NOUN
eurjchem-496	54	33	[	[	X
eurjchem-496	54	34	29	29	NUM
eurjchem-496	54	35	]	]	PUNCT
eurjchem-496	54	36	which	which	PRON
eurjchem-496	54	37	were	be	AUX
eurjchem-496	54	38	1.218	1.218	NUM
eurjchem-496	54	39	,	,	PUNCT
eurjchem-496	54	40	1.390	1.390	NUM
eurjchem-496	54	41	,	,	PUNCT
eurjchem-496	54	42	1.365	1.365	NUM
eurjchem-496	54	43	,	,	PUNCT
eurjchem-496	54	44	1.456	1.456	NUM
eurjchem-496	54	45	,	,	PUNCT
eurjchem-496	54	46	1.488	1.488	NUM
eurjchem-496	54	47	and	and	CCONJ
eurjchem-496	54	48	1.511	1.511	NUM
eurjchem-496	54	49	å	å	NOUN
eurjchem-496	54	50	,	,	PUNCT
eurjchem-496	54	51	respectively	respectively	ADV
eurjchem-496	54	52	.	.	PUNCT
eurjchem-496	55	1	3.2	3.2	NUM
eurjchem-496	55	2	.	.	PUNCT
eurjchem-496	56	1	polarity	polarity	NOUN
eurjchem-496	56	2	and	and	CCONJ
eurjchem-496	56	3	charge	charge	NOUN
eurjchem-496	56	4	distribution	distribution	NOUN
eurjchem-496	56	5	the	the	DET
eurjchem-496	56	6	dipole	dipole	NOUN
eurjchem-496	56	7	moments	moment	NOUN
eurjchem-496	56	8	obtained	obtain	VERB
eurjchem-496	56	9	for	for	ADP
eurjchem-496	56	10	the	the	DET
eurjchem-496	56	11	studied	study	VERB
eurjchem-496	56	12	molecules	molecule	NOUN
eurjchem-496	56	13	are	be	AUX
eurjchem-496	56	14	given	give	VERB
eurjchem-496	56	15	in	in	ADP
eurjchem-496	56	16	table	table	NOUN
eurjchem-496	56	17	2	2	NUM
eurjchem-496	56	18	.	.	PUNCT
eurjchem-496	57	1	saeed	saeed	PROPN
eurjchem-496	57	2	and	and	CCONJ
eurjchem-496	57	3	elias	elias	PROPN
eurjchem-496	57	4	/	/	SYM
eurjchem-496	57	5	european	european	PROPN
eurjchem-496	57	6	journal	journal	PROPN
eurjchem-496	57	7	of	of	ADP
eurjchem-496	57	8	chemistry	chemistry	NOUN
eurjchem-496	57	9	2	2	NUM
eurjchem-496	57	10	(	(	PUNCT
eurjchem-496	57	11	4	4	NUM
eurjchem-496	57	12	)	)	PUNCT
eurjchem-496	57	13	(	(	PUNCT
eurjchem-496	57	14	2011	2011	NUM
eurjchem-496	57	15	)	)	PUNCT
eurjchem-496	57	16	469‐474	469‐474	PROPN
eurjchem-496	57	17	471	471	NUM
eurjchem-496	57	18	table	table	NOUN
eurjchem-496	57	19	1	1	NUM
eurjchem-496	57	20	.	.	PUNCT
eurjchem-496	57	21	calculated	calculate	VERB
eurjchem-496	57	22	bond	bond	NOUN
eurjchem-496	57	23	lengths	length	NOUN
eurjchem-496	57	24	,	,	PUNCT
eurjchem-496	57	25	valence	valence	NOUN
eurjchem-496	57	26	angles	angle	NOUN
eurjchem-496	57	27	and	and	CCONJ
eurjchem-496	57	28	dihedral	dihedral	ADJ
eurjchem-496	57	29	angles	angle	NOUN
eurjchem-496	57	30	of	of	ADP
eurjchem-496	57	31	dihydropyridones	dihydropyridone	NOUN
eurjchem-496	57	32	studied	study	VERB
eurjchem-496	57	33	.	.	PUNCT
eurjchem-496	58	1	molecule	molecule	NOUN
eurjchem-496	58	2	no	no	DET
eurjchem-496	58	3	1	1	NUM
eurjchem-496	58	4	2	2	NUM
eurjchem-496	58	5	3	3	NUM
eurjchem-496	58	6	4	4	NUM
eurjchem-496	58	7	5	5	NUM
eurjchem-496	58	8	6	6	NUM
eurjchem-496	58	9	7	7	NUM
eurjchem-496	58	10	8	8	NUM
eurjchem-496	58	11	9	9	NUM
eurjchem-496	58	12	10	10	NUM
eurjchem-496	58	13	11	11	NUM
eurjchem-496	58	14	bond	bond	NOUN
eurjchem-496	58	15	lengths	length	NOUN
eurjchem-496	58	16	n1‐c2	n1‐c2	VERB
eurjchem-496	58	17	1.368	1.368	NUM
eurjchem-496	58	18	1.367	1.367	NUM
eurjchem-496	58	19	1.368	1.368	NUM
eurjchem-496	58	20	1.375	1.375	NUM
eurjchem-496	58	21	1.370	1.370	NUM
eurjchem-496	58	22	1.380	1.380	NUM
eurjchem-496	58	23	1.369	1.369	NUM
eurjchem-496	58	24	1.382	1.382	NUM
eurjchem-496	58	25	1.404	1.404	NUM
eurjchem-496	58	26	1.406	1.406	NUM
eurjchem-496	58	27	1.407	1.407	NUM
eurjchem-496	58	28	c2‐c3	c2‐c3	VERB
eurjchem-496	58	29	1.361	1.361	NUM
eurjchem-496	58	30	1.363	1.363	NUM
eurjchem-496	58	31	1.360	1.360	NUM
eurjchem-496	58	32	1.366	1.366	NUM
eurjchem-496	58	33	1.363	1.363	NUM
eurjchem-496	58	34	1.370	1.370	NUM
eurjchem-496	58	35	1.360	1.360	NUM
eurjchem-496	58	36	1.373	1.373	NUM
eurjchem-496	58	37	1.372	1.372	NUM
eurjchem-496	58	38	1.371	1.371	NUM
eurjchem-496	58	39	1.372	1.372	NUM
eurjchem-496	58	40	c3‐c4	c3‐c4	NOUN
eurjchem-496	58	41	1.458	1.458	NUM
eurjchem-496	58	42	1.454	1.454	NUM
eurjchem-496	58	43	1.457	1.457	NUM
eurjchem-496	58	44	1.455	1.455	NUM
eurjchem-496	58	45	1.455	1.455	NUM
eurjchem-496	58	46	1.455	1.455	NUM
eurjchem-496	58	47	1.457	1.457	NUM
eurjchem-496	58	48	1.452	1.452	NUM
eurjchem-496	58	49	1.458	1.458	NUM
eurjchem-496	58	50	1.457	1.457	NUM
eurjchem-496	58	51	1.456	1.456	NUM
eurjchem-496	58	52	c4‐c5	c4‐c5	NOUN
eurjchem-496	58	53	1.536	1.536	NUM
eurjchem-496	58	54	1.534	1.534	NUM
eurjchem-496	58	55	1.535	1.535	NUM
eurjchem-496	58	56	1.535	1.535	NUM
eurjchem-496	58	57	1.533	1.533	NUM
eurjchem-496	58	58	1.533	1.533	NUM
eurjchem-496	58	59	1.536	1.536	NUM
eurjchem-496	58	60	1.533	1.533	NUM
eurjchem-496	58	61	1.529	1.529	NUM
eurjchem-496	58	62	1.531	1.531	NUM
eurjchem-496	58	63	1.529	1.529	NUM
eurjchem-496	58	64	c5‐c6	c5‐c6	NOUN
eurjchem-496	58	65	1.529	1.529	NUM
eurjchem-496	58	66	1.528	1.528	NUM
eurjchem-496	58	67	1.526	1.526	NUM
eurjchem-496	58	68	1.527	1.527	NUM
eurjchem-496	58	69	1.527	1.527	NUM
eurjchem-496	58	70	1.526	1.526	NUM
eurjchem-496	58	71	1.539	1.539	NUM
eurjchem-496	58	72	1.527	1.527	NUM
eurjchem-496	58	73	1.533	1.533	NUM
eurjchem-496	58	74	1.533	1.533	NUM
eurjchem-496	58	75	1.534	1.534	NUM
eurjchem-496	58	76	c6‐n1	c6‐n1	NOUN
eurjchem-496	58	77	1.463	1.463	NUM
eurjchem-496	58	78	1.465	1.465	NUM
eurjchem-496	58	79	1.468	1.468	NUM
eurjchem-496	58	80	1.462	1.462	NUM
eurjchem-496	58	81	1.475	1.475	NUM
eurjchem-496	58	82	1.463	1.463	NUM
eurjchem-496	58	83	1.468	1.468	NUM
eurjchem-496	58	84	1.462	1.462	NUM
eurjchem-496	58	85	1.504	1.504	NUM
eurjchem-496	58	86	1.490	1.490	NUM
eurjchem-496	58	87	1.507	1.507	NUM
eurjchem-496	58	88	valence	valence	NOUN
eurjchem-496	58	89	angles	angle	VERB
eurjchem-496	58	90	n1‐c2‐c3	n1‐c2‐c3	NOUN
eurjchem-496	58	91	123.8	123.8	NUM
eurjchem-496	58	92	124.9	124.9	NUM
eurjchem-496	58	93	123.8	123.8	NUM
eurjchem-496	58	94	121.7	121.7	NUM
eurjchem-496	58	95	124.6	124.6	NUM
eurjchem-496	58	96	121.6	121.6	NUM
eurjchem-496	58	97	123.9	123.9	NUM
eurjchem-496	58	98	121.2	121.2	NUM
eurjchem-496	58	99	121.4	121.4	NUM
eurjchem-496	58	100	121.5	121.5	NUM
eurjchem-496	58	101	121.3	121.3	NUM
eurjchem-496	58	102	c5‐c6‐n1	c5‐c6‐n1	PROPN
eurjchem-496	58	103	109.7	109.7	NUM
eurjchem-496	58	104	111.2	111.2	NUM
eurjchem-496	58	105	108.4	108.4	NUM
eurjchem-496	58	106	109.6	109.6	NUM
eurjchem-496	58	107	111.3	111.3	NUM
eurjchem-496	58	108	110.0	110.0	NUM
eurjchem-496	58	109	108.3	108.3	NUM
eurjchem-496	58	110	109.8	109.8	NUM
eurjchem-496	58	111	110.0	110.0	NUM
eurjchem-496	58	112	110.9	110.9	NUM
eurjchem-496	58	113	109.8	109.8	NUM
eurjchem-496	58	114	dihedral	dihedral	ADJ
eurjchem-496	58	115	angles	angle	NOUN
eurjchem-496	58	116	n1‐c2‐c3‐c4	n1‐c2‐c3‐c4	NOUN
eurjchem-496	58	117	‐4.4	‐4.4	NUM
eurjchem-496	58	118	‐5.0	‐5.0	AUX
eurjchem-496	58	119	‐4.2	‐4.2	NOUN
eurjchem-496	58	120	‐4.4	‐4.4	NOUN
eurjchem-496	58	121	‐7.1	‐7.1	X
eurjchem-496	58	122	‐4.2	‐4.2	ADJ
eurjchem-496	58	123	‐4.2	‐4.2	NOUN
eurjchem-496	58	124	‐3.4	‐3.4	NUM
eurjchem-496	58	125	‐10.7	‐10.7	ADP
eurjchem-496	58	126	‐10.3	‐10.3	PRON
eurjchem-496	58	127	‐10.4	‐10.4	X
eurjchem-496	58	128	c2‐c3‐c4‐c5	c2‐c3‐c4‐c5	ADJ
eurjchem-496	58	129	‐4.2	‐4.2	VERB
eurjchem-496	58	130	‐4.8	‐4.8	PRON
eurjchem-496	58	131	‐4.2	‐4.2	ADJ
eurjchem-496	58	132	‐3.3	‐3.3	NOUN
eurjchem-496	58	133	‐5.0	‐5.0	ADJ
eurjchem-496	59	1	‐3.9	‐3.9	NUM
eurjchem-496	59	2	‐4.2	‐4.2	NOUN
eurjchem-496	59	3	‐3.8	‐3.8	VERB
eurjchem-496	59	4	4.3	4.3	NUM
eurjchem-496	59	5	4.1	4.1	NUM
eurjchem-496	59	6	4.5	4.5	NUM
eurjchem-496	59	7	c3‐c4‐c5‐c6	c3‐c4‐c5‐c6	VERB
eurjchem-496	59	8	32.4	32.4	NUM
eurjchem-496	59	9	32.3	32.3	NUM
eurjchem-496	59	10	32.8	32.8	NUM
eurjchem-496	59	11	31.7	31.7	NUM
eurjchem-496	59	12	33.9	33.9	NUM
eurjchem-496	59	13	32.2	32.2	NUM
eurjchem-496	59	14	32.7	32.7	NUM
eurjchem-496	59	15	31.6	31.6	NUM
eurjchem-496	59	16	29.7	29.7	NUM
eurjchem-496	59	17	29.0	29.0	NUM
eurjchem-496	59	18	29.3	29.3	NUM
eurjchem-496	59	19	c4‐c5‐c6‐n1	c4‐c5‐c6‐n1	NOUN
eurjchem-496	59	20	‐51.6	‐51.6	X
eurjchem-496	59	21	‐50.7	‐50.7	NUM
eurjchem-496	59	22	‐51.5	‐51.5	NUM
eurjchem-496	59	23	‐51.8	‐51.8	NUM
eurjchem-496	59	24	‐51.7	‐51.7	CCONJ
eurjchem-496	59	25	‐52.2	‐52.2	NUM
eurjchem-496	59	26	‐51.6	‐51.6	NUM
eurjchem-496	59	27	‐52.0	‐52.0	PROPN
eurjchem-496	59	28	‐57.8	‐57.8	NUM
eurjchem-496	59	29	‐56.9	‐56.9	X
eurjchem-496	59	30	‐57.5	‐57.5	NOUN
eurjchem-496	59	31	c5‐c6‐n1‐c2	c5‐c6‐n1‐c2	VERB
eurjchem-496	59	32	45.2	45.2	NUM
eurjchem-496	59	33	42.6	42.6	NUM
eurjchem-496	59	34	45.3	45.3	NUM
eurjchem-496	59	35	46.9	46.9	NUM
eurjchem-496	59	36	41.4	41.4	NUM
eurjchem-496	59	37	46.8	46.8	NUM
eurjchem-496	59	38	45.5	45.5	NUM
eurjchem-496	59	39	47.7	47.7	NUM
eurjchem-496	59	40	53.6	53.6	NUM
eurjchem-496	59	41	53.0	53.0	NUM
eurjchem-496	59	42	53.7	53.7	NUM
eurjchem-496	59	43	c6‐n1‐c2‐c3	c6‐n1‐c2‐c3	NOUN
eurjchem-496	59	44	‐17.7	‐17.7	PUNCT
eurjchem-496	59	45	‐15.3	‐15.3	X
eurjchem-496	59	46	‐18.4	‐18.4	X
eurjchem-496	59	47	‐19.0	‐19.0	NUM
eurjchem-496	59	48	‐12.3	‐12.3	NUM
eurjchem-496	59	49	‐18.7	‐18.7	NUM
eurjchem-496	59	50	‐18.5	‐18.5	X
eurjchem-496	59	51	‐20.1	‐20.1	NOUN
eurjchem-496	59	52	‐19.3	‐19.3	CCONJ
eurjchem-496	59	53	‐19.1	‐19.1	NUM
eurjchem-496	59	54	‐19.8	‐19.8	NUM
eurjchem-496	59	55	1	1	NUM
eurjchem-496	59	56	3	3	NUM
eurjchem-496	59	57	5	5	NUM
eurjchem-496	59	58	figure	figure	NOUN
eurjchem-496	59	59	2	2	NUM
eurjchem-496	59	60	.	.	PUNCT
eurjchem-496	59	61	representation	representation	NOUN
eurjchem-496	59	62	of	of	ADP
eurjchem-496	59	63	molecules	molecule	NOUN
eurjchem-496	59	64	1	1	NUM
eurjchem-496	59	65	,	,	PUNCT
eurjchem-496	59	66	2	2	NUM
eurjchem-496	59	67	and	and	CCONJ
eurjchem-496	59	68	5	5	NUM
eurjchem-496	59	69	obtained	obtain	VERB
eurjchem-496	59	70	from	from	ADP
eurjchem-496	59	71	gas	gas	NOUN
eurjchem-496	59	72	geometry	geometry	NOUN
eurjchem-496	59	73	optimization	optimization	NOUN
eurjchem-496	59	74	carry	carry	VERB
eurjchem-496	59	75	out	out	ADP
eurjchem-496	59	76	b3lyp/6‐31g(d	b3lyp/6‐31g(d	PROPN
eurjchem-496	59	77	,	,	PUNCT
eurjchem-496	59	78	p	p	NOUN
eurjchem-496	59	79	)	)	PUNCT
eurjchem-496	59	80	level	level	NOUN
eurjchem-496	59	81	of	of	ADP
eurjchem-496	59	82	theory	theory	NOUN
eurjchem-496	59	83	.	.	PUNCT
eurjchem-496	60	1	the	the	DET
eurjchem-496	60	2	substituted	substitute	VERB
eurjchem-496	60	3	compounds	compound	NOUN
eurjchem-496	60	4	in	in	ADP
eurjchem-496	60	5	general	general	ADJ
eurjchem-496	60	6	are	be	AUX
eurjchem-496	60	7	more	more	ADV
eurjchem-496	60	8	polar	polar	ADJ
eurjchem-496	60	9	than	than	ADP
eurjchem-496	60	10	the	the	DET
eurjchem-496	60	11	parent	parent	NOUN
eurjchem-496	60	12	molecule	molecule	NOUN
eurjchem-496	60	13	.	.	PUNCT
eurjchem-496	61	1	in	in	ADP
eurjchem-496	61	2	all	all	DET
eurjchem-496	61	3	cases	case	NOUN
eurjchem-496	61	4	(	(	PUNCT
eurjchem-496	61	5	except	except	SCONJ
eurjchem-496	61	6	for	for	ADP
eurjchem-496	61	7	molecules	molecule	NOUN
eurjchem-496	61	8	4	4	NUM
eurjchem-496	61	9	and	and	CCONJ
eurjchem-496	61	10	8)	8)	NUM
eurjchem-496	61	11	the	the	DET
eurjchem-496	61	12	dipole	dipole	NOUN
eurjchem-496	61	13	moment	moment	NOUN
eurjchem-496	61	14	is	be	AUX
eurjchem-496	61	15	larger	large	ADJ
eurjchem-496	61	16	than	than	ADP
eurjchem-496	61	17	that	that	PRON
eurjchem-496	61	18	of	of	ADP
eurjchem-496	61	19	molecule	molecule	NOUN
eurjchem-496	61	20	1	1	NUM
eurjchem-496	61	21	.	.	PUNCT
eurjchem-496	61	22	when	when	SCONJ
eurjchem-496	61	23	the	the	DET
eurjchem-496	61	24	substituent	substituent	NOUN
eurjchem-496	61	25	is	be	AUX
eurjchem-496	61	26	a	a	DET
eurjchem-496	61	27	phenyl	phenyl	NOUN
eurjchem-496	61	28	group	group	NOUN
eurjchem-496	61	29	,	,	PUNCT
eurjchem-496	61	30	substitution	substitution	NOUN
eurjchem-496	61	31	on	on	ADP
eurjchem-496	61	32	c2	c2	PROPN
eurjchem-496	61	33	and	and	CCONJ
eurjchem-496	61	34	c6	c6	PROPN
eurjchem-496	61	35	leads	lead	VERB
eurjchem-496	61	36	to	to	ADP
eurjchem-496	61	37	higher	high	ADJ
eurjchem-496	61	38	dipole	dipole	NOUN
eurjchem-496	61	39	compared	compare	VERB
eurjchem-496	61	40	to	to	ADP
eurjchem-496	61	41	substitution	substitution	NOUN
eurjchem-496	61	42	on	on	ADP
eurjchem-496	61	43	n1	n1	PROPN
eurjchem-496	61	44	.	.	PUNCT
eurjchem-496	62	1	on	on	ADP
eurjchem-496	62	2	the	the	DET
eurjchem-496	62	3	other	other	ADJ
eurjchem-496	62	4	hand	hand	NOUN
eurjchem-496	62	5	when	when	SCONJ
eurjchem-496	62	6	the	the	DET
eurjchem-496	62	7	substituent	substituent	NOUN
eurjchem-496	62	8	is	be	AUX
eurjchem-496	62	9	methyl	methyl	NOUN
eurjchem-496	62	10	group	group	NOUN
eurjchem-496	62	11	the	the	DET
eurjchem-496	62	12	substitution	substitution	NOUN
eurjchem-496	62	13	at	at	ADP
eurjchem-496	62	14	n1	n1	NOUN
eurjchem-496	62	15	and	and	CCONJ
eurjchem-496	62	16	c2	c2	PROPN
eurjchem-496	62	17	leads	lead	VERB
eurjchem-496	62	18	to	to	ADP
eurjchem-496	62	19	higher	high	ADJ
eurjchem-496	62	20	dipole	dipole	NOUN
eurjchem-496	62	21	compared	compare	VERB
eurjchem-496	62	22	to	to	ADP
eurjchem-496	62	23	substitution	substitution	NOUN
eurjchem-496	62	24	at	at	ADP
eurjchem-496	62	25	c6	c6	PROPN
eurjchem-496	62	26	.	.	PUNCT
eurjchem-496	63	1	the	the	DET
eurjchem-496	63	2	situation	situation	NOUN
eurjchem-496	63	3	for	for	ADP
eurjchem-496	63	4	the	the	DET
eurjchem-496	63	5	aromatic	aromatic	ADJ
eurjchem-496	63	6	substituent	substituent	NOUN
eurjchem-496	63	7	is	be	AUX
eurjchem-496	63	8	that	that	DET
eurjchem-496	63	9	substitution	substitution	NOUN
eurjchem-496	63	10	that	that	PRON
eurjchem-496	63	11	leads	lead	VERB
eurjchem-496	63	12	to	to	ADP
eurjchem-496	63	13	less	less	ADV
eurjchem-496	63	14	symmetric	symmetric	ADJ
eurjchem-496	63	15	molecule	molecule	NOUN
eurjchem-496	63	16	gives	give	VERB
eurjchem-496	63	17	higher	high	ADJ
eurjchem-496	63	18	dipole	dipole	NOUN
eurjchem-496	63	19	,	,	PUNCT
eurjchem-496	63	20	while	while	SCONJ
eurjchem-496	63	21	in	in	ADP
eurjchem-496	63	22	the	the	DET
eurjchem-496	63	23	case	case	NOUN
eurjchem-496	63	24	of	of	ADP
eurjchem-496	63	25	methyl	methyl	NOUN
eurjchem-496	63	26	group	group	NOUN
eurjchem-496	63	27	mesomeric	mesomeric	NOUN
eurjchem-496	63	28	and	and	CCONJ
eurjchem-496	63	29	inductive	inductive	ADJ
eurjchem-496	63	30	effects	effect	NOUN
eurjchem-496	63	31	play	play	VERB
eurjchem-496	63	32	the	the	DET
eurjchem-496	63	33	main	main	ADJ
eurjchem-496	63	34	role	role	NOUN
eurjchem-496	63	35	in	in	ADP
eurjchem-496	63	36	determining	determine	VERB
eurjchem-496	63	37	the	the	DET
eurjchem-496	63	38	value	value	NOUN
eurjchem-496	63	39	of	of	ADP
eurjchem-496	63	40	dipole	dipole	NOUN
eurjchem-496	63	41	moment	moment	NOUN
eurjchem-496	63	42	.	.	PUNCT
eurjchem-496	64	1	the	the	DET
eurjchem-496	64	2	relative	relative	ADJ
eurjchem-496	64	3	distribution	distribution	NOUN
eurjchem-496	64	4	of	of	ADP
eurjchem-496	64	5	charges	charge	NOUN
eurjchem-496	64	6	may	may	AUX
eurjchem-496	64	7	indicate	indicate	VERB
eurjchem-496	64	8	preferential	preferential	ADJ
eurjchem-496	64	9	binding	bind	VERB
eurjchem-496	64	10	sites	site	NOUN
eurjchem-496	64	11	on	on	ADP
eurjchem-496	64	12	the	the	DET
eurjchem-496	64	13	hydrophilic	hydrophilic	ADJ
eurjchem-496	64	14	or	or	CCONJ
eurjchem-496	64	15	lipophilic	lipophilic	ADJ
eurjchem-496	64	16	regions	region	NOUN
eurjchem-496	64	17	of	of	ADP
eurjchem-496	64	18	the	the	DET
eurjchem-496	64	19	receptor	receptor	NOUN
eurjchem-496	64	20	and	and	CCONJ
eurjchem-496	64	21	can	can	AUX
eurjchem-496	64	22	also	also	ADV
eurjchem-496	64	23	determine	determine	VERB
eurjchem-496	64	24	sites	site	NOUN
eurjchem-496	64	25	of	of	ADP
eurjchem-496	64	26	receptor	receptor	NOUN
eurjchem-496	64	27	regions	region	NOUN
eurjchem-496	64	28	at	at	ADP
eurjchem-496	64	29	which	which	PRON
eurjchem-496	64	30	polarity	polarity	NOUN
eurjchem-496	64	31	could	could	AUX
eurjchem-496	64	32	be	be	AUX
eurjchem-496	64	33	more	more	ADV
eurjchem-496	64	34	easily	easily	ADV
eurjchem-496	64	35	induced	induce	VERB
eurjchem-496	64	36	.	.	PUNCT
eurjchem-496	65	1	the	the	DET
eurjchem-496	65	2	atomic	atomic	ADJ
eurjchem-496	65	3	charges	charge	NOUN
eurjchem-496	65	4	were	be	AUX
eurjchem-496	65	5	calculated	calculate	VERB
eurjchem-496	65	6	by	by	ADP
eurjchem-496	65	7	natural	natural	ADJ
eurjchem-496	65	8	population	population	NOUN
eurjchem-496	65	9	analysis	analysis	NOUN
eurjchem-496	65	10	using	use	VERB
eurjchem-496	65	11	the	the	DET
eurjchem-496	65	12	same	same	ADJ
eurjchem-496	65	13	level	level	NOUN
eurjchem-496	65	14	of	of	ADP
eurjchem-496	65	15	theory	theory	NOUN
eurjchem-496	65	16	as	as	ADP
eurjchem-496	65	17	for	for	ADP
eurjchem-496	65	18	the	the	DET
eurjchem-496	65	19	geometrical	geometrical	ADJ
eurjchem-496	65	20	optimizations	optimization	NOUN
eurjchem-496	65	21	.	.	PUNCT
eurjchem-496	66	1	the	the	DET
eurjchem-496	66	2	values	value	NOUN
eurjchem-496	66	3	obtained	obtain	VERB
eurjchem-496	66	4	for	for	ADP
eurjchem-496	66	5	selected	select	VERB
eurjchem-496	66	6	atoms	atom	NOUN
eurjchem-496	66	7	in	in	ADP
eurjchem-496	66	8	molecules	molecule	NOUN
eurjchem-496	66	9	studied	study	VERB
eurjchem-496	66	10	are	be	AUX
eurjchem-496	66	11	summarized	summarize	VERB
eurjchem-496	66	12	in	in	ADP
eurjchem-496	66	13	table	table	NOUN
eurjchem-496	66	14	2	2	NUM
eurjchem-496	66	15	.	.	PUNCT
eurjchem-496	67	1	the	the	DET
eurjchem-496	67	2	most	most	ADV
eurjchem-496	67	3	negative	negative	ADJ
eurjchem-496	67	4	atomic	atomic	ADJ
eurjchem-496	67	5	areas	area	NOUN
eurjchem-496	67	6	on	on	ADP
eurjchem-496	67	7	the	the	DET
eurjchem-496	67	8	molecule	molecule	NOUN
eurjchem-496	67	9	become	become	VERB
eurjchem-496	67	10	more	more	ADV
eurjchem-496	67	11	sensitive	sensitive	ADJ
eurjchem-496	67	12	to	to	ADP
eurjchem-496	67	13	acidic	acidic	ADJ
eurjchem-496	67	14	coordination	coordination	NOUN
eurjchem-496	67	15	.	.	PUNCT
eurjchem-496	68	1	four	four	NUM
eurjchem-496	68	2	sites	site	NOUN
eurjchem-496	68	3	have	have	VERB
eurjchem-496	68	4	importance	importance	NOUN
eurjchem-496	68	5	when	when	SCONJ
eurjchem-496	68	6	taking	take	VERB
eurjchem-496	68	7	charge	charge	NOUN
eurjchem-496	68	8	distribution	distribution	NOUN
eurjchem-496	68	9	into	into	ADP
eurjchem-496	68	10	account	account	NOUN
eurjchem-496	68	11	,	,	PUNCT
eurjchem-496	68	12	namely	namely	ADV
eurjchem-496	68	13	n1	n1	NOUN
eurjchem-496	68	14	,	,	PUNCT
eurjchem-496	68	15	c2	c2	PROPN
eurjchem-496	68	16	,	,	PUNCT
eurjchem-496	68	17	c	c	PROPN
eurjchem-496	68	18	=	=	SYM
eurjchem-496	68	19	o	o	X
eurjchem-496	68	20	and	and	CCONJ
eurjchem-496	68	21	c6	c6	PROPN
eurjchem-496	68	22	.	.	PUNCT
eurjchem-496	69	1	for	for	ADP
eurjchem-496	69	2	n1	n1	NOUN
eurjchem-496	69	3	,	,	PUNCT
eurjchem-496	69	4	both	both	CCONJ
eurjchem-496	69	5	phenyl	phenyl	NOUN
eurjchem-496	69	6	and	and	CCONJ
eurjchem-496	69	7	methyl	methyl	NOUN
eurjchem-496	69	8	groups	group	NOUN
eurjchem-496	69	9	have	have	VERB
eurjchem-496	69	10	the	the	DET
eurjchem-496	69	11	same	same	ADJ
eurjchem-496	69	12	effect	effect	NOUN
eurjchem-496	69	13	on	on	ADP
eurjchem-496	69	14	the	the	DET
eurjchem-496	69	15	atomic	atomic	ADJ
eurjchem-496	69	16	charge	charge	NOUN
eurjchem-496	69	17	distribution	distribution	NOUN
eurjchem-496	69	18	and	and	CCONJ
eurjchem-496	69	19	lead	lead	VERB
eurjchem-496	69	20	to	to	PART
eurjchem-496	69	21	decrease	decrease	VERB
eurjchem-496	69	22	the	the	DET
eurjchem-496	69	23	atomic	atomic	ADJ
eurjchem-496	69	24	charge	charge	NOUN
eurjchem-496	69	25	.	.	PUNCT
eurjchem-496	70	1	practically	practically	ADV
eurjchem-496	70	2	they	they	PRON
eurjchem-496	70	3	have	have	VERB
eurjchem-496	70	4	identical	identical	ADJ
eurjchem-496	70	5	effect	effect	NOUN
eurjchem-496	70	6	since	since	SCONJ
eurjchem-496	70	7	the	the	DET
eurjchem-496	70	8	atomic	atomic	ADJ
eurjchem-496	70	9	charge	charge	NOUN
eurjchem-496	70	10	decreases	decrease	VERB
eurjchem-496	70	11	from	from	ADP
eurjchem-496	70	12	‐0.630	‐0.630	PROPN
eurjchem-496	70	13	in	in	ADP
eurjchem-496	70	14	molecule	molecule	NOUN
eurjchem-496	70	15	1	1	NUM
eurjchem-496	70	16	to	to	ADP
eurjchem-496	70	17	‐0.475	‐0.475	NOUN
eurjchem-496	70	18	in	in	ADP
eurjchem-496	70	19	molecules	molecule	NOUN
eurjchem-496	70	20	2	2	NUM
eurjchem-496	70	21	and	and	CCONJ
eurjchem-496	70	22	3	3	NUM
eurjchem-496	70	23	.	.	PUNCT
eurjchem-496	71	1	the	the	DET
eurjchem-496	71	2	atoms	atom	NOUN
eurjchem-496	71	3	c2	c2	PROPN
eurjchem-496	71	4	and	and	CCONJ
eurjchem-496	71	5	c6	c6	PROPN
eurjchem-496	71	6	are	be	AUX
eurjchem-496	71	7	the	the	DET
eurjchem-496	71	8	most	most	ADV
eurjchem-496	71	9	feasible	feasible	ADJ
eurjchem-496	71	10	for	for	ADP
eurjchem-496	71	11	charge	charge	NOUN
eurjchem-496	71	12	alteration	alteration	NOUN
eurjchem-496	71	13	upon	upon	SCONJ
eurjchem-496	71	14	substitution	substitution	NOUN
eurjchem-496	71	15	change	change	NOUN
eurjchem-496	71	16	and	and	CCONJ
eurjchem-496	71	17	the	the	DET
eurjchem-496	71	18	charge	charge	NOUN
eurjchem-496	71	19	difference	difference	NOUN
eurjchem-496	71	20	is	be	AUX
eurjchem-496	71	21	within	within	ADP
eurjchem-496	71	22	0.191‐0.216	0.191‐0.216	NOUN
eurjchem-496	71	23	compared	compare	VERB
eurjchem-496	71	24	to	to	ADP
eurjchem-496	71	25	0.092	0.092	NUM
eurjchem-496	71	26	for	for	ADP
eurjchem-496	71	27	n1	n1	NOUN
eurjchem-496	71	28	.	.	PUNCT
eurjchem-496	72	1	as	as	SCONJ
eurjchem-496	72	2	is	be	AUX
eurjchem-496	72	3	the	the	DET
eurjchem-496	72	4	case	case	NOUN
eurjchem-496	72	5	for	for	ADP
eurjchem-496	72	6	n1	n1	NOUN
eurjchem-496	72	7	the	the	DET
eurjchem-496	72	8	phenyl	phenyl	NOUN
eurjchem-496	72	9	and	and	CCONJ
eurjchem-496	72	10	methyl	methyl	NOUN
eurjchem-496	72	11	groups	group	NOUN
eurjchem-496	72	12	have	have	VERB
eurjchem-496	72	13	the	the	DET
eurjchem-496	72	14	same	same	ADJ
eurjchem-496	72	15	decreasing	decrease	VERB
eurjchem-496	72	16	effect	effect	NOUN
eurjchem-496	72	17	on	on	ADP
eurjchem-496	72	18	the	the	DET
eurjchem-496	72	19	charge	charge	NOUN
eurjchem-496	72	20	at	at	ADP
eurjchem-496	72	21	c2	c2	PROPN
eurjchem-496	72	22	and	and	CCONJ
eurjchem-496	72	23	c6	c6	PROPN
eurjchem-496	72	24	atoms	atom	NOUN
eurjchem-496	72	25	.	.	PUNCT
eurjchem-496	73	1	the	the	DET
eurjchem-496	73	2	charge	charge	NOUN
eurjchem-496	73	3	on	on	ADP
eurjchem-496	73	4	the	the	DET
eurjchem-496	73	5	carbonyl	carbonyl	NOUN
eurjchem-496	73	6	oxygen	oxygen	NOUN
eurjchem-496	73	7	is	be	AUX
eurjchem-496	73	8	substantially	substantially	ADV
eurjchem-496	73	9	constant	constant	ADJ
eurjchem-496	73	10	with	with	ADP
eurjchem-496	73	11	changing	change	VERB
eurjchem-496	73	12	substituent	substituent	NOUN
eurjchem-496	73	13	.	.	PUNCT
eurjchem-496	74	1	3.3	3.3	NUM
eurjchem-496	74	2	.	.	PUNCT
eurjchem-496	75	1	wiberg	wiberg	PROPN
eurjchem-496	75	2	bond	bond	PROPN
eurjchem-496	75	3	index	index	PROPN
eurjchem-496	75	4	wiberg	wiberg	PROPN
eurjchem-496	75	5	bond	bond	NOUN
eurjchem-496	75	6	index	index	NOUN
eurjchem-496	75	7	affords	afford	VERB
eurjchem-496	75	8	a	a	DET
eurjchem-496	75	9	numerical	numerical	ADJ
eurjchem-496	75	10	picture	picture	NOUN
eurjchem-496	75	11	about	about	ADP
eurjchem-496	75	12	the	the	DET
eurjchem-496	75	13	kind	kind	NOUN
eurjchem-496	75	14	of	of	ADP
eurjchem-496	75	15	the	the	DET
eurjchem-496	75	16	bond	bond	NOUN
eurjchem-496	75	17	and	and	CCONJ
eurjchem-496	75	18	could	could	AUX
eurjchem-496	75	19	be	be	AUX
eurjchem-496	75	20	used	use	VERB
eurjchem-496	75	21	to	to	PART
eurjchem-496	75	22	trace	trace	VERB
eurjchem-496	75	23	the	the	DET
eurjchem-496	75	24	electronic	electronic	ADJ
eurjchem-496	75	25	conjugation	conjugation	NOUN
eurjchem-496	75	26	in	in	ADP
eurjchem-496	75	27	molecules	molecule	NOUN
eurjchem-496	75	28	and	and	CCONJ
eurjchem-496	75	29	interpreting	interpret	VERB
eurjchem-496	75	30	changes	change	NOUN
eurjchem-496	75	31	in	in	ADP
eurjchem-496	75	32	electronic	electronic	ADJ
eurjchem-496	75	33	structures	structure	NOUN
eurjchem-496	75	34	and	and	CCONJ
eurjchem-496	75	35	electronic	electronic	ADJ
eurjchem-496	75	36	spectra	spectra	NOUN
eurjchem-496	75	37	upon	upon	SCONJ
eurjchem-496	75	38	changing	change	VERB
eurjchem-496	75	39	the	the	DET
eurjchem-496	75	40	substituent	substituent	NOUN
eurjchem-496	75	41	.	.	PUNCT
eurjchem-496	76	1	the	the	DET
eurjchem-496	76	2	calculated	calculate	VERB
eurjchem-496	76	3	wiberg	wiberg	PROPN
eurjchem-496	76	4	bond	bond	NOUN
eurjchem-496	76	5	indices	index	NOUN
eurjchem-496	76	6	are	be	AUX
eurjchem-496	76	7	gathered	gather	VERB
eurjchem-496	76	8	in	in	ADP
eurjchem-496	76	9	table	table	NOUN
eurjchem-496	76	10	3	3	NUM
eurjchem-496	76	11	.	.	PUNCT
eurjchem-496	77	1	as	as	SCONJ
eurjchem-496	77	2	could	could	AUX
eurjchem-496	77	3	be	be	AUX
eurjchem-496	77	4	seen	see	VERB
eurjchem-496	77	5	from	from	ADP
eurjchem-496	77	6	table	table	NOUN
eurjchem-496	77	7	4	4	NUM
eurjchem-496	77	8	the	the	DET
eurjchem-496	77	9	most	most	ADV
eurjchem-496	77	10	affected	affect	VERB
eurjchem-496	77	11	bonds	bond	NOUN
eurjchem-496	77	12	by	by	ADP
eurjchem-496	77	13	changing	change	VERB
eurjchem-496	77	14	substitution	substitution	NOUN
eurjchem-496	77	15	are	be	AUX
eurjchem-496	77	16	those	those	PRON
eurjchem-496	77	17	directly	directly	ADV
eurjchem-496	77	18	connected	connect	VERB
eurjchem-496	77	19	to	to	ADP
eurjchem-496	77	20	the	the	DET
eurjchem-496	77	21	atoms	atom	NOUN
eurjchem-496	77	22	at	at	ADP
eurjchem-496	77	23	which	which	PRON
eurjchem-496	77	24	substitution	substitution	NOUN
eurjchem-496	77	25	takes	take	VERB
eurjchem-496	77	26	place	place	NOUN
eurjchem-496	77	27	.	.	PUNCT
eurjchem-496	78	1	these	these	DET
eurjchem-496	78	2	bonds	bond	NOUN
eurjchem-496	78	3	are	be	AUX
eurjchem-496	78	4	n1‐c2	n1‐c2	ADJ
eurjchem-496	78	5	,	,	PUNCT
eurjchem-496	78	6	c2‐	c2‐	NOUN
eurjchem-496	78	7	c3	c3	NOUN
eurjchem-496	78	8	and	and	CCONJ
eurjchem-496	78	9	c6‐n1	c6‐n1	ADJ
eurjchem-496	78	10	.	.	PUNCT
eurjchem-496	79	1	substitution	substitution	NOUN
eurjchem-496	79	2	on	on	ADP
eurjchem-496	79	3	n1	n1	NOUN
eurjchem-496	79	4	by	by	ADP
eurjchem-496	79	5	phenyl	phenyl	NOUN
eurjchem-496	79	6	or	or	CCONJ
eurjchem-496	79	7	methyl	methyl	NOUN
eurjchem-496	79	8	group	group	NOUN
eurjchem-496	79	9	decreases	decrease	VERB
eurjchem-496	79	10	wiberg	wiberg	PROPN
eurjchem-496	79	11	bond	bond	NOUN
eurjchem-496	79	12	index	index	NOUN
eurjchem-496	79	13	of	of	ADP
eurjchem-496	79	14	the	the	DET
eurjchem-496	79	15	bond	bond	NOUN
eurjchem-496	79	16	n1‐c2	n1‐c2	NOUN
eurjchem-496	79	17	.	.	PUNCT
eurjchem-496	80	1	this	this	PRON
eurjchem-496	80	2	means	mean	VERB
eurjchem-496	80	3	that	that	SCONJ
eurjchem-496	80	4	substitutions	substitution	NOUN
eurjchem-496	80	5	lead	lead	VERB
eurjchem-496	80	6	to	to	PART
eurjchem-496	80	7	transfer	transfer	VERB
eurjchem-496	80	8	the	the	DET
eurjchem-496	80	9	electron	electron	NOUN
eurjchem-496	80	10	density	density	NOUN
eurjchem-496	80	11	from	from	ADP
eurjchem-496	80	12	the	the	DET
eurjchem-496	80	13	substituent	substituent	NOUN
eurjchem-496	80	14	to	to	ADP
eurjchem-496	80	15	n1	n1	NOUN
eurjchem-496	80	16	by	by	ADP
eurjchem-496	80	17	the	the	DET
eurjchem-496	80	18	inductive	inductive	ADJ
eurjchem-496	80	19	or	or	CCONJ
eurjchem-496	80	20	mesomeric	mesomeric	ADJ
eurjchem-496	80	21	effect	effect	NOUN
eurjchem-496	80	22	.	.	PUNCT
eurjchem-496	81	1	this	this	PRON
eurjchem-496	81	2	is	be	AUX
eurjchem-496	81	3	more	more	ADV
eurjchem-496	81	4	noticeable	noticeable	ADJ
eurjchem-496	81	5	if	if	SCONJ
eurjchem-496	81	6	the	the	DET
eurjchem-496	81	7	atoms	atom	NOUN
eurjchem-496	81	8	n1	n1	NOUN
eurjchem-496	81	9	and	and	CCONJ
eurjchem-496	81	10	c2	c2	PROPN
eurjchem-496	81	11	are	be	AUX
eurjchem-496	81	12	both	both	PRON
eurjchem-496	81	13	substituted	substitute	VERB
eurjchem-496	81	14	.	.	PUNCT
eurjchem-496	82	1	substitution	substitution	NOUN
eurjchem-496	82	2	on	on	ADP
eurjchem-496	82	3	c2	c2	PROPN
eurjchem-496	82	4	affects	affect	VERB
eurjchem-496	82	5	both	both	PRON
eurjchem-496	82	6	n1‐c2	n1‐c2	NOUN
eurjchem-496	82	7	and	and	CCONJ
eurjchem-496	82	8	c2‐c3	c2‐c3	VERB
eurjchem-496	82	9	bonds	bond	NOUN
eurjchem-496	82	10	.	.	PUNCT
eurjchem-496	83	1	according	accord	VERB
eurjchem-496	83	2	to	to	ADP
eurjchem-496	83	3	wiberg	wiberg	PROPN
eurjchem-496	83	4	bond	bond	PROPN
eurjchem-496	83	5	index	index	PROPN
eurjchem-496	83	6	,	,	PUNCT
eurjchem-496	83	7	c2‐c3	c2‐c3	VERB
eurjchem-496	83	8	is	be	AUX
eurjchem-496	83	9	not	not	PART
eurjchem-496	83	10	a	a	DET
eurjchem-496	83	11	pure	pure	ADJ
eurjchem-496	83	12	double	double	ADJ
eurjchem-496	83	13	bond	bond	NOUN
eurjchem-496	83	14	due	due	ADP
eurjchem-496	83	15	to	to	ADP
eurjchem-496	83	16	its	its	PRON
eurjchem-496	83	17	conjugation	conjugation	NOUN
eurjchem-496	83	18	with	with	ADP
eurjchem-496	83	19	the	the	DET
eurjchem-496	83	20	carbonyl	carbonyl	NOUN
eurjchem-496	83	21	group	group	NOUN
eurjchem-496	83	22	and	and	CCONJ
eurjchem-496	83	23	the	the	DET
eurjchem-496	83	24	unsaturated	unsaturated	ADJ
eurjchem-496	83	25	substituent	substituent	NOUN
eurjchem-496	83	26	on	on	ADP
eurjchem-496	83	27	c2	c2	PROPN
eurjchem-496	83	28	.	.	PUNCT
eurjchem-496	84	1	it	it	PRON
eurjchem-496	84	2	is	be	AUX
eurjchem-496	84	3	clear	clear	ADJ
eurjchem-496	84	4	from	from	ADP
eurjchem-496	84	5	table	table	NOUN
eurjchem-496	84	6	4	4	NUM
eurjchem-496	84	7	that	that	DET
eurjchem-496	84	8	noticeable	noticeable	ADJ
eurjchem-496	84	9	change	change	NOUN
eurjchem-496	84	10	in	in	ADP
eurjchem-496	84	11	wiberg	wiberg	PROPN
eurjchem-496	84	12	bond	bond	NOUN
eurjchem-496	84	13	index	index	NOUN
eurjchem-496	84	14	of	of	ADP
eurjchem-496	84	15	this	this	DET
eurjchem-496	84	16	bond	bond	NOUN
eurjchem-496	84	17	appears	appear	VERB
eurjchem-496	84	18	with	with	ADP
eurjchem-496	84	19	substituent	substituent	NOUN
eurjchem-496	84	20	that	that	PRON
eurjchem-496	84	21	conjugate	conjugate	VERB
eurjchem-496	84	22	with	with	ADP
eurjchem-496	84	23	it	it	PRON
eurjchem-496	84	24	leading	lead	VERB
eurjchem-496	84	25	to	to	ADP
eurjchem-496	84	26	a	a	DET
eurjchem-496	84	27	decrease	decrease	NOUN
eurjchem-496	84	28	in	in	ADP
eurjchem-496	84	29	its	its	PRON
eurjchem-496	84	30	double	double	ADJ
eurjchem-496	84	31	bond	bond	NOUN
eurjchem-496	84	32	character	character	NOUN
eurjchem-496	84	33	.	.	PUNCT
eurjchem-496	85	1	472	472	NUM
eurjchem-496	85	2	saeed	saeed	NOUN
eurjchem-496	85	3	and	and	CCONJ
eurjchem-496	85	4	elias	elias	PROPN
eurjchem-496	85	5	/	/	SYM
eurjchem-496	85	6	european	european	PROPN
eurjchem-496	85	7	journal	journal	PROPN
eurjchem-496	85	8	of	of	ADP
eurjchem-496	85	9	chemistry	chemistry	NOUN
eurjchem-496	85	10	2	2	NUM
eurjchem-496	85	11	(	(	PUNCT
eurjchem-496	85	12	4	4	NUM
eurjchem-496	85	13	)	)	PUNCT
eurjchem-496	85	14	(	(	PUNCT
eurjchem-496	85	15	2011	2011	NUM
eurjchem-496	85	16	)	)	PUNCT
eurjchem-496	85	17	469‐474	469‐474	PROPN
eurjchem-496	85	18	table	table	NOUN
eurjchem-496	85	19	2	2	NUM
eurjchem-496	85	20	.	.	PUNCT
eurjchem-496	85	21	calculated	calculate	VERB
eurjchem-496	85	22	dipole	dipole	NOUN
eurjchem-496	85	23	moments	moment	NOUN
eurjchem-496	85	24	(	(	PUNCT
eurjchem-496	85	25	deby	deby	ADJ
eurjchem-496	85	26	)	)	PUNCT
eurjchem-496	85	27	and	and	CCONJ
eurjchem-496	85	28	atomic	atomic	ADJ
eurjchem-496	85	29	charges	charge	NOUN
eurjchem-496	85	30	for	for	ADP
eurjchem-496	85	31	dihydropyridones	dihydropyridone	NOUN
eurjchem-496	85	32	studied	study	VERB
eurjchem-496	85	33	obtained	obtain	VERB
eurjchem-496	85	34	at	at	ADP
eurjchem-496	85	35	b3lyp/6‐31g(d	b3lyp/6‐31g(d	PROPN
eurjchem-496	85	36	,	,	PUNCT
eurjchem-496	85	37	p	p	NOUN
eurjchem-496	85	38	)	)	PUNCT
eurjchem-496	85	39	level	level	NOUN
eurjchem-496	85	40	of	of	ADP
eurjchem-496	85	41	theory	theory	NOUN
eurjchem-496	85	42	.	.	PUNCT
eurjchem-496	86	1	molecule	molecule	NOUN
eurjchem-496	86	2	dipole	dipole	NOUN
eurjchem-496	86	3	moment	moment	NOUN
eurjchem-496	86	4	atomic	atomic	ADJ
eurjchem-496	86	5	charge	charge	NOUN
eurjchem-496	86	6	n1	n1	PROPN
eurjchem-496	86	7	c2	c2	PROPN
eurjchem-496	86	8	c3	c3	PROPN
eurjchem-496	86	9	c4	c4	PROPN
eurjchem-496	86	10	c5	c5	PROPN
eurjchem-496	86	11	c6	c6	PROPN
eurjchem-496	87	1	c	c	PROPN
eurjchem-496	87	2	=	=	NOUN
eurjchem-496	87	3	o	o	NOUN
eurjchem-496	87	4	1	1	NUM
eurjchem-496	87	5	5.375	5.375	NUM
eurjchem-496	87	6	‐0.630	‐0.630	PROPN
eurjchem-496	87	7	0.043	0.043	NUM
eurjchem-496	87	8	‐0.442	‐0.442	VERB
eurjchem-496	87	9	0.542	0.542	NUM
eurjchem-496	87	10	‐0.562	‐0.562	PROPN
eurjchem-496	87	11	‐0.269	‐0.269	PROPN
eurjchem-496	88	1	‐0.567	‐0.567	ADJ
eurjchem-496	88	2	2	2	NUM
eurjchem-496	88	3	6.080	6.080	NUM
eurjchem-496	88	4	‐0.475	‐0.475	NOUN
eurjchem-496	88	5	0.104	0.104	DET
eurjchem-496	88	6	‐0.407	‐0.407	NOUN
eurjchem-496	88	7	0.515	0.515	NUM
eurjchem-496	88	8	‐0.476	‐0.476	NOUN
eurjchem-496	88	9	‐0.167	‐0.167	ADJ
eurjchem-496	88	10	‐0.584	‐0.584	NOUN
eurjchem-496	88	11	3	3	NUM
eurjchem-496	88	12	5.365	5.365	NUM
eurjchem-496	88	13	‐0.635	‐0.635	NOUN
eurjchem-496	88	14	0.047	0.047	NUM
eurjchem-496	88	15	‐0.440	‐0.440	NOUN
eurjchem-496	88	16	0.528	0.528	NUM
eurjchem-496	88	17	‐0.559	‐0.559	VERB
eurjchem-496	88	18	‐0.060	‐0.060	NOUN
eurjchem-496	88	19	‐0.567	‐0.567	ADP
eurjchem-496	88	20	4	4	NUM
eurjchem-496	88	21	5.598	5.598	NUM
eurjchem-496	88	22	‐0.634	‐0.634	NOUN
eurjchem-496	88	23	0.250	0.250	NUM
eurjchem-496	88	24	‐0.436	‐0.436	NOUN
eurjchem-496	88	25	0.527	0.527	NUM
eurjchem-496	88	26	‐0.560	‐0.560	ADV
eurjchem-496	88	27	‐0.265	‐0.265	NOUN
eurjchem-496	88	28	‐0.572	‐0.572	NOUN
eurjchem-496	88	29	5	5	NUM
eurjchem-496	88	30	5.350	5.350	NUM
eurjchem-496	88	31	‐0.430	‐0.430	PROPN
eurjchem-496	88	32	0.045	0.045	NUM
eurjchem-496	88	33	‐0.431	‐0.431	NOUN
eurjchem-496	88	34	0.522	0.522	NUM
eurjchem-496	88	35	‐0.561	‐0.561	NOUN
eurjchem-496	88	36	‐0.257	‐0.257	NOUN
eurjchem-496	88	37	‐0.565	‐0.565	PROPN
eurjchem-496	88	38	6	6	NUM
eurjchem-496	88	39	5.507	5.507	NUM
eurjchem-496	88	40	‐0.529	‐0.529	ADV
eurjchem-496	88	41	0.234	0.234	NUM
eurjchem-496	88	42	‐0.417	‐0.417	NOUN
eurjchem-496	88	43	0.525	0.525	NUM
eurjchem-496	88	44	‐0.560	‐0.560	ADV
eurjchem-496	88	45	‐0.265	‐0.265	NOUN
eurjchem-496	88	46	‐0.568	‐0.568	ADJ
eurjchem-496	88	47	7	7	NUM
eurjchem-496	88	48	5.376	5.376	NUM
eurjchem-496	88	49	‐0.534	‐0.534	NOUN
eurjchem-496	88	50	0.047	0.047	NUM
eurjchem-496	88	51	‐0.439	‐0.439	NOUN
eurjchem-496	88	52	0.527	0.527	NUM
eurjchem-496	88	53	‐0.548	‐0.548	NOUN
eurjchem-496	88	54	‐0.068	‐0.068	ADJ
eurjchem-496	88	55	‐0.564	‐0.564	ADP
eurjchem-496	88	56	8	8	NUM
eurjchem-496	88	57	5.822	5.822	NUM
eurjchem-496	88	58	‐0.624	‐0.624	NOUN
eurjchem-496	88	59	0.213	0.213	NUM
eurjchem-496	88	60	‐0.414	‐0.414	NOUN
eurjchem-496	88	61	0.521	0.521	NUM
eurjchem-496	88	62	‐0.559	‐0.559	VERB
eurjchem-496	88	63	‐0.265	‐0.265	NOUN
eurjchem-496	88	64	‐0.572	‐0.572	NOUN
eurjchem-496	88	65	9	9	NUM
eurjchem-496	88	66	5.289	5.289	NUM
eurjchem-496	88	67	‐0.477	‐0.477	NOUN
eurjchem-496	88	68	0.204	0.204	NUM
eurjchem-496	88	69	‐0.378	‐0.378	NUM
eurjchem-496	88	70	0.528	0.528	NUM
eurjchem-496	88	71	‐0.559	‐0.559	VERB
eurjchem-496	88	72	‐0.062	‐0.062	NOUN
eurjchem-496	88	73	‐0.557	‐0.557	NOUN
eurjchem-496	88	74	10	10	NUM
eurjchem-496	88	75	5.373	5.373	NUM
eurjchem-496	88	76	‐0.481	‐0.481	NOUN
eurjchem-496	88	77	0.208	0.208	NUM
eurjchem-496	88	78	‐0.382	‐0.382	NOUN
eurjchem-496	88	79	0.531	0.531	NUM
eurjchem-496	88	80	‐0.565	‐0.565	PROPN
eurjchem-496	88	81	‐0.070	‐0.070	PROPN
eurjchem-496	88	82	‐0.562	‐0.562	PROPN
eurjchem-496	88	83	11	11	NUM
eurjchem-496	88	84	6.838	6.838	NUM
eurjchem-496	88	85	‐0.474	‐0.474	ADJ
eurjchem-496	88	86	0.204	0.204	NUM
eurjchem-496	88	87	‐0.382	‐0.382	NOUN
eurjchem-496	88	88	0.526	0.526	NUM
eurjchem-496	88	89	‐0.557	‐0.557	NOUN
eurjchem-496	88	90	‐0.060	‐0.060	X
eurjchem-496	88	91	‐0.562	‐0.562	NOUN
eurjchem-496	88	92	table	table	NOUN
eurjchem-496	88	93	3	3	NUM
eurjchem-496	88	94	.	.	X
eurjchem-496	89	1	wiberg	wiberg	PROPN
eurjchem-496	89	2	bond	bond	NOUN
eurjchem-496	89	3	indices	indice	VERB
eurjchem-496	89	4	for	for	ADP
eurjchem-496	89	5	dihydropyridones	dihydropyridone	NOUN
eurjchem-496	89	6	studied	study	VERB
eurjchem-496	89	7	obtained	obtain	VERB
eurjchem-496	89	8	at	at	ADP
eurjchem-496	89	9	b3lyp/31g(d	b3lyp/31g(d	PROPN
eurjchem-496	89	10	,	,	PUNCT
eurjchem-496	89	11	p	p	NOUN
eurjchem-496	89	12	)	)	PUNCT
eurjchem-496	89	13	level	level	NOUN
eurjchem-496	89	14	of	of	ADP
eurjchem-496	89	15	theory	theory	NOUN
eurjchem-496	89	16	.	.	PUNCT
eurjchem-496	90	1	molecule	molecule	NOUN
eurjchem-496	90	2	wiberg	wiberg	PROPN
eurjchem-496	90	3	bond	bond	NOUN
eurjchem-496	90	4	index	index	PROPN
eurjchem-496	90	5	n1‐c2	n1‐c2	NOUN
eurjchem-496	90	6	c2‐c3	c2‐c3	VERB
eurjchem-496	90	7	c3‐c4	c3‐c4	PROPN
eurjchem-496	90	8	c4‐c5	c4‐c5	PROPN
eurjchem-496	90	9	c5‐c6	c5‐c6	PROPN
eurjchem-496	90	10	c6‐n1	c6‐n1	NOUN
eurjchem-496	90	11	c	c	PROPN
eurjchem-496	90	12	=	=	NOUN
eurjchem-496	90	13	o	o	NOUN
eurjchem-496	90	14	1	1	NUM
eurjchem-496	90	15	1.2014	1.2014	NUM
eurjchem-496	90	16	1.6451	1.6451	NUM
eurjchem-496	90	17	1.1307	1.1307	NUM
eurjchem-496	90	18	0.9688	0.9688	NUM
eurjchem-496	90	19	1.0110	1.0110	NUM
eurjchem-496	90	20	0.9639	0.9639	NUM
eurjchem-496	90	21	1.7290	1.7290	NUM
eurjchem-496	90	22	2	2	NUM
eurjchem-496	90	23	1.1874	1.1874	NUM
eurjchem-496	90	24	1.6306	1.6306	NUM
eurjchem-496	90	25	1.1365	1.1365	NUM
eurjchem-496	90	26	0.9720	0.9720	NUM
eurjchem-496	90	27	1.0176	1.0176	NUM
eurjchem-496	90	28	0.9446	0.9446	NUM
eurjchem-496	90	29	1.7165	1.7165	NUM
eurjchem-496	90	30	3	3	NUM
eurjchem-496	90	31	1.1991	1.1991	NUM
eurjchem-496	90	32	1.6466	1.6466	NUM
eurjchem-496	90	33	1.1302	1.1302	NUM
eurjchem-496	90	34	0.9695	0.9695	NUM
eurjchem-496	90	35	0.9958	0.9958	NUM
eurjchem-496	90	36	0.9475	0.9475	NUM
eurjchem-496	90	37	1.7290	1.7290	NUM
eurjchem-496	90	38	4	4	NUM
eurjchem-496	90	39	1.1774	1.1774	NUM
eurjchem-496	90	40	1.6013	1.6013	NUM
eurjchem-496	90	41	1.1367	1.1367	NUM
eurjchem-496	90	42	0.9687	0.9687	NUM
eurjchem-496	90	43	1.0109	1.0109	NUM
eurjchem-496	90	44	0.9636	0.9636	NUM
eurjchem-496	90	45	1.7230	1.7230	NUM
eurjchem-496	90	46	5	5	NUM
eurjchem-496	90	47	1.1686	1.1686	NUM
eurjchem-496	90	48	1.6392	1.6392	NUM
eurjchem-496	90	49	1.1317	1.1317	NUM
eurjchem-496	90	50	0.9682	0.9682	NUM
eurjchem-496	90	51	1.0140	1.0140	NUM
eurjchem-496	90	52	0.9293	0.9293	NUM
eurjchem-496	90	53	1.7279	1.7279	NUM
eurjchem-496	90	54	6	6	NUM
eurjchem-496	90	55	1.1948	1.1948	NUM
eurjchem-496	90	56	1.6491	1.6491	NUM
eurjchem-496	90	57	1.1291	1.1291	NUM
eurjchem-496	90	58	0.9681	0.9681	NUM
eurjchem-496	90	59	0.9834	0.9834	NUM
eurjchem-496	90	60	0.9503	0.9503	NUM
eurjchem-496	90	61	1.7302	1.7302	NUM
eurjchem-496	90	62	7	7	NUM
eurjchem-496	90	63	1.1948	1.1948	NUM
eurjchem-496	90	64	1.6491	1.6491	NUM
eurjchem-496	90	65	1.1291	1.1291	NUM
eurjchem-496	90	66	0.9681	0.9681	NUM
eurjchem-496	90	67	0.9834	0.9834	NUM
eurjchem-496	90	68	0.9503	0.9503	NUM
eurjchem-496	90	69	1.7302	1.7302	NUM
eurjchem-496	90	70	8	8	NUM
eurjchem-496	90	71	1.1586	1.1586	NUM
eurjchem-496	90	72	1.5471	1.5471	NUM
eurjchem-496	90	73	1.1475	1.1475	NUM
eurjchem-496	90	74	0.9694	0.9694	NUM
eurjchem-496	90	75	1.0108	1.0108	NUM
eurjchem-496	90	76	0.9667	0.9667	NUM
eurjchem-496	90	77	1.7120	1.7120	NUM
eurjchem-496	90	78	9	9	NUM
eurjchem-496	90	79	1.0799	1.0799	NUM
eurjchem-496	90	80	1.5806	1.5806	NUM
eurjchem-496	90	81	1.1253	1.1253	NUM
eurjchem-496	90	82	0.9707	0.9707	NUM
eurjchem-496	90	83	0.9926	0.9926	NUM
eurjchem-496	90	84	0.9082	0.9082	NUM
eurjchem-496	90	85	1.7294	1.7294	NUM
eurjchem-496	90	86	10	10	NUM
eurjchem-496	90	87	1.0827	1.0827	NUM
eurjchem-496	90	88	1.5826	1.5826	NUM
eurjchem-496	90	89	1.1292	1.1292	NUM
eurjchem-496	90	90	0.9686	0.9686	NUM
eurjchem-496	90	91	0.9950	0.9950	NUM
eurjchem-496	90	92	0.9317	0.9317	NUM
eurjchem-496	90	93	1.7259	1.7259	NUM
eurjchem-496	90	94	11	11	NUM
eurjchem-496	90	95	1.0757	1.0757	NUM
eurjchem-496	90	96	1.5747	1.5747	NUM
eurjchem-496	90	97	1.1305	1.1305	NUM
eurjchem-496	90	98	0.9703	0.9703	NUM
eurjchem-496	90	99	0.9922	0.9922	NUM
eurjchem-496	90	100	0.9036	0.9036	NUM
eurjchem-496	90	101	1.7236	1.7236	NUM
eurjchem-496	90	102	table	table	NOUN
eurjchem-496	90	103	4	4	NUM
eurjchem-496	90	104	.	.	PUNCT
eurjchem-496	90	105	calculated	calculate	VERB
eurjchem-496	90	106	and	and	CCONJ
eurjchem-496	90	107	observed	observed	ADJ
eurjchem-496	90	108	band	band	NOUN
eurjchem-496	90	109	maxima	maxima	NOUN
eurjchem-496	90	110	,	,	PUNCT
eurjchem-496	90	111	intensities	intensity	NOUN
eurjchem-496	90	112	of	of	ADP
eurjchem-496	90	113	the	the	DET
eurjchem-496	90	114	dihydropyridones	dihydropyridone	NOUN
eurjchem-496	90	115	studied	study	VERB
eurjchem-496	90	116	.	.	PUNCT
eurjchem-496	91	1	molecule	molecule	NOUN
eurjchem-496	91	2	excited	excited	ADJ
eurjchem-496	91	3	state	state	NOUN
eurjchem-496	91	4	coefficient	coefficient	NOUN
eurjchem-496	91	5	theoretical	theoretical	ADJ
eurjchem-496	91	6	λ	λ	PROPN
eurjchem-496	91	7	,	,	PUNCT
eurjchem-496	91	8	nm	nm	ADJ
eurjchem-496	91	9	oscillator	oscillator	NOUN
eurjchem-496	91	10	strength	strength	NOUN
eurjchem-496	91	11	experimental	experimental	PROPN
eurjchem-496	91	12	λ	λ	PROPN
eurjchem-496	91	13	,	,	PUNCT
eurjchem-496	91	14	nm	nm	ADJ
eurjchem-496	91	15	1	1	NUM
eurjchem-496	91	16	h	h	NOUN
eurjchem-496	91	17	→	→	SYM
eurjchem-496	91	18	l	l	NOUN
eurjchem-496	91	19	0.69152	0.69152	NUM
eurjchem-496	91	20	272	272	NUM
eurjchem-496	91	21	0.4834	0.4834	NUM
eurjchem-496	91	22	‐‐‐	‐‐‐	NUM
eurjchem-496	91	23	a	a	DET
eurjchem-496	91	24	2	2	NUM
eurjchem-496	91	25	h	h	NOUN
eurjchem-496	91	26	→	→	SYM
eurjchem-496	91	27	l	l	NOUN
eurjchem-496	91	28	0.69251	0.69251	NUM
eurjchem-496	91	29	283	283	NUM
eurjchem-496	91	30	0.4773	0.4773	NUM
eurjchem-496	91	31	‐‐‐	‐‐‐	NUM
eurjchem-496	91	32	3	3	NUM
eurjchem-496	91	33	h	h	NOUN
eurjchem-496	91	34	→	→	SYM
eurjchem-496	91	35	l	l	NOUN
eurjchem-496	91	36	0.69065	0.69065	NUM
eurjchem-496	92	1	275	275	NUM
eurjchem-496	92	2	0.5061	0.5061	NUM
eurjchem-496	92	3	‐‐‐	‐‐‐	NUM
eurjchem-496	92	4	4	4	NUM
eurjchem-496	92	5	h	h	NOUN
eurjchem-496	92	6	→	→	SYM
eurjchem-496	92	7	l	l	NOUN
eurjchem-496	92	8	0.69065	0.69065	NUM
eurjchem-496	92	9	275	275	NUM
eurjchem-496	92	10	0.5061	0.5061	NUM
eurjchem-496	92	11	‐‐‐	‐‐‐	NUM
eurjchem-496	92	12	5	5	NUM
eurjchem-496	92	13	h	h	NOUN
eurjchem-496	92	14	→	→	SYM
eurjchem-496	92	15	l	l	NOUN
eurjchem-496	92	16	0.67326	0.67326	NUM
eurjchem-496	92	17	301	301	NUM
eurjchem-496	92	18	0.6857	0.6857	NUM
eurjchem-496	92	19	‐‐‐	‐‐‐	NUM
eurjchem-496	92	20	6	6	NUM
eurjchem-496	92	21	h	h	NOUN
eurjchem-496	92	22	→	→	SYM
eurjchem-496	92	23	l	l	X
eurjchem-496	92	24	h‐1	h‐1	PROPN
eurjchem-496	92	25	→	→	SYM
eurjchem-496	92	26	l	l	NOUN
eurjchem-496	92	27	0.61457	0.61457	NUM
eurjchem-496	92	28	0.30324	0.30324	NUM
eurjchem-496	92	29	274	274	NUM
eurjchem-496	92	30	0.4764	0.4764	NUM
eurjchem-496	92	31	‐‐‐	‐‐‐	NUM
eurjchem-496	92	32	7	7	NUM
eurjchem-496	92	33	h	h	NOUN
eurjchem-496	92	34	→	→	SYM
eurjchem-496	92	35	l	l	NOUN
eurjchem-496	92	36	h	h	NOUN
eurjchem-496	92	37	→	→	SYM
eurjchem-496	92	38	l+2	l+2	NOUN
eurjchem-496	92	39	0.67685	0.67685	NUM
eurjchem-496	92	40	‐0.10338	‐0.10338	NUM
eurjchem-496	92	41	299	299	NUM
eurjchem-496	92	42	0.6836	0.6836	NUM
eurjchem-496	92	43	‐‐‐	‐‐‐	NUM
eurjchem-496	92	44	8	8	NUM
eurjchem-496	92	45	h	h	NOUN
eurjchem-496	92	46	→	→	SYM
eurjchem-496	92	47	l	l	X
eurjchem-496	92	48	h‐1	h‐1	PROPN
eurjchem-496	92	49	→	→	SYM
eurjchem-496	92	50	l+1	l+1	X
eurjchem-496	92	51	0.67819	0.67819	NUM
eurjchem-496	92	52	0.14204	0.14204	NUM
eurjchem-496	92	53	337	337	NUM
eurjchem-496	92	54	0.8999	0.8999	NUM
eurjchem-496	92	55	‐‐‐	‐‐‐	PRON
eurjchem-496	92	56	9	9	NUM
eurjchem-496	92	57	h	h	NOUN
eurjchem-496	92	58	→	→	SYM
eurjchem-496	92	59	l	l	NOUN
eurjchem-496	92	60	0.67263	0.67263	NUM
eurjchem-496	92	61	335	335	NUM
eurjchem-496	92	62	1.1508	1.1508	NUM
eurjchem-496	92	63	353	353	NUM
eurjchem-496	92	64	10	10	NUM
eurjchem-496	92	65	h	h	NOUN
eurjchem-496	92	66	→	→	SYM
eurjchem-496	92	67	l	l	NOUN
eurjchem-496	92	68	h‐2	h‐2	NOUN
eurjchem-496	92	69	→	→	X
eurjchem-496	92	70	l+1	l+1	X
eurjchem-496	92	71	0.66998	0.66998	NUM
eurjchem-496	92	72	0.13266	0.13266	NUM
eurjchem-496	92	73	347	347	NUM
eurjchem-496	92	74	1.1586	1.1586	NUM
eurjchem-496	92	75	348	348	NUM
eurjchem-496	92	76	11	11	NUM
eurjchem-496	92	77	h	h	NOUN
eurjchem-496	92	78	→	→	SYM
eurjchem-496	92	79	l	l	NOUN
eurjchem-496	92	80	0.66843	0.66843	NUM
eurjchem-496	92	81	349	349	NUM
eurjchem-496	92	82	1.1453	1.1453	NUM
eurjchem-496	92	83	358	358	NUM
eurjchem-496	92	84	a	a	DET
eurjchem-496	92	85	data	datum	NOUN
eurjchem-496	92	86	not	not	PART
eurjchem-496	92	87	available	available	ADJ
eurjchem-496	92	88	.	.	PUNCT
eurjchem-496	93	1	wiberg	wiberg	PROPN
eurjchem-496	93	2	bond	bond	NOUN
eurjchem-496	93	3	index	index	NOUN
eurjchem-496	93	4	decreases	decrease	VERB
eurjchem-496	93	5	from	from	ADP
eurjchem-496	93	6	1.645	1.645	NUM
eurjchem-496	93	7	in	in	ADP
eurjchem-496	93	8	molecule	molecule	NOUN
eurjchem-496	93	9	1	1	NUM
eurjchem-496	93	10	to	to	ADP
eurjchem-496	93	11	1.183	1.183	NUM
eurjchem-496	93	12	,	,	PUNCT
eurjchem-496	93	13	1.159	1.159	NUM
eurjchem-496	93	14	,	,	PUNCT
eurjchem-496	93	15	1.083	1.083	NUM
eurjchem-496	93	16	,	,	PUNCT
eurjchem-496	93	17	1.080	1.080	NUM
eurjchem-496	93	18	and	and	CCONJ
eurjchem-496	93	19	1.076	1.076	NUM
eurjchem-496	93	20	in	in	ADP
eurjchem-496	93	21	molecules	molecule	NOUN
eurjchem-496	93	22	7‐11	7‐11	NUM
eurjchem-496	93	23	,	,	PUNCT
eurjchem-496	93	24	respectively	respectively	ADV
eurjchem-496	93	25	.	.	PUNCT
eurjchem-496	94	1	this	this	PRON
eurjchem-496	94	2	suggests	suggest	VERB
eurjchem-496	94	3	that	that	SCONJ
eurjchem-496	94	4	an	an	DET
eurjchem-496	94	5	electron	electron	NOUN
eurjchem-496	94	6	charge	charge	NOUN
eurjchem-496	94	7	transfer	transfer	NOUN
eurjchem-496	94	8	occurs	occur	VERB
eurjchem-496	94	9	from	from	ADP
eurjchem-496	94	10	the	the	DET
eurjchem-496	94	11	substituent	substituent	NOUN
eurjchem-496	94	12	to	to	ADP
eurjchem-496	94	13	this	this	DET
eurjchem-496	94	14	bond	bond	NOUN
eurjchem-496	94	15	.	.	PUNCT
eurjchem-496	95	1	in	in	ADP
eurjchem-496	95	2	this	this	DET
eurjchem-496	95	3	case	case	NOUN
eurjchem-496	95	4	the	the	DET
eurjchem-496	95	5	styryl	styryl	PROPN
eurjchem-496	95	6	group	group	NOUN
eurjchem-496	95	7	has	have	VERB
eurjchem-496	95	8	more	more	ADJ
eurjchem-496	95	9	effect	effect	NOUN
eurjchem-496	95	10	than	than	ADP
eurjchem-496	95	11	the	the	DET
eurjchem-496	95	12	phenyl	phenyl	NOUN
eurjchem-496	95	13	group	group	NOUN
eurjchem-496	95	14	.	.	PUNCT
eurjchem-496	96	1	concerning	concern	VERB
eurjchem-496	96	2	c6	c6	PROPN
eurjchem-496	96	3	,	,	PUNCT
eurjchem-496	96	4	substitution	substitution	NOUN
eurjchem-496	96	5	effect	effect	NOUN
eurjchem-496	96	6	is	be	AUX
eurjchem-496	96	7	less	less	ADV
eurjchem-496	96	8	pronounced	pronounced	ADJ
eurjchem-496	96	9	and	and	CCONJ
eurjchem-496	96	10	although	although	SCONJ
eurjchem-496	96	11	it	it	PRON
eurjchem-496	96	12	leads	lead	VERB
eurjchem-496	96	13	to	to	ADP
eurjchem-496	96	14	some	some	DET
eurjchem-496	96	15	change	change	NOUN
eurjchem-496	96	16	on	on	ADP
eurjchem-496	96	17	the	the	DET
eurjchem-496	96	18	bond	bond	NOUN
eurjchem-496	96	19	c6‐n1	c6‐n1	NOUN
eurjchem-496	96	20	,	,	PUNCT
eurjchem-496	96	21	it	it	PRON
eurjchem-496	96	22	has	have	VERB
eurjchem-496	96	23	practically	practically	ADV
eurjchem-496	96	24	no	no	DET
eurjchem-496	96	25	effect	effect	NOUN
eurjchem-496	96	26	on	on	ADP
eurjchem-496	96	27	the	the	DET
eurjchem-496	96	28	other	other	ADJ
eurjchem-496	96	29	sites	site	NOUN
eurjchem-496	96	30	of	of	ADP
eurjchem-496	96	31	the	the	DET
eurjchem-496	96	32	molecule	molecule	NOUN
eurjchem-496	96	33	.	.	PUNCT
eurjchem-496	97	1	this	this	PRON
eurjchem-496	97	2	is	be	AUX
eurjchem-496	97	3	of	of	ADP
eurjchem-496	97	4	importance	importance	NOUN
eurjchem-496	97	5	sequence	sequence	NOUN
eurjchem-496	97	6	when	when	SCONJ
eurjchem-496	97	7	trying	try	VERB
eurjchem-496	97	8	to	to	PART
eurjchem-496	97	9	discuss	discuss	VERB
eurjchem-496	97	10	the	the	DET
eurjchem-496	97	11	electronic	electronic	ADJ
eurjchem-496	97	12	spectra	spectra	NOUN
eurjchem-496	97	13	of	of	ADP
eurjchem-496	97	14	the	the	DET
eurjchem-496	97	15	molecules	molecule	NOUN
eurjchem-496	97	16	studied	study	VERB
eurjchem-496	97	17	as	as	SCONJ
eurjchem-496	97	18	it	it	PRON
eurjchem-496	97	19	implies	imply	VERB
eurjchem-496	97	20	that	that	DET
eurjchem-496	97	21	substitution	substitution	NOUN
eurjchem-496	97	22	at	at	ADP
eurjchem-496	97	23	c6	c6	PROPN
eurjchem-496	97	24	has	have	VERB
eurjchem-496	97	25	practically	practically	ADV
eurjchem-496	97	26	no	no	DET
eurjchem-496	97	27	effect	effect	NOUN
eurjchem-496	97	28	on	on	ADP
eurjchem-496	97	29	these	these	DET
eurjchem-496	97	30	spectra	spectra	NOUN
eurjchem-496	97	31	.	.	PUNCT
eurjchem-496	98	1	3.4	3.4	NUM
eurjchem-496	98	2	.	.	PUNCT
eurjchem-496	98	3	electronic	electronic	ADJ
eurjchem-496	98	4	spectra	spectra	NOUN
eurjchem-496	98	5	and	and	CCONJ
eurjchem-496	98	6	electronic	electronic	ADJ
eurjchem-496	98	7	structure	structure	NOUN
eurjchem-496	98	8	the	the	DET
eurjchem-496	98	9	uv‐visible	uv‐visible	ADJ
eurjchem-496	98	10	spectra	spectra	NOUN
eurjchem-496	98	11	of	of	ADP
eurjchem-496	98	12	the	the	DET
eurjchem-496	98	13	molecules	molecule	NOUN
eurjchem-496	98	14	9	9	NUM
eurjchem-496	98	15	,	,	PUNCT
eurjchem-496	98	16	10	10	NUM
eurjchem-496	98	17	and	and	CCONJ
eurjchem-496	98	18	11	11	NUM
eurjchem-496	98	19	have	have	VERB
eurjchem-496	98	20	main	main	ADJ
eurjchem-496	98	21	bands	band	NOUN
eurjchem-496	98	22	at	at	ADP
eurjchem-496	98	23	353	353	NUM
eurjchem-496	98	24	,	,	PUNCT
eurjchem-496	98	25	348	348	NUM
eurjchem-496	98	26	and	and	CCONJ
eurjchem-496	98	27	358	358	NUM
eurjchem-496	98	28	nm	nm	ADV
eurjchem-496	98	29	respectively	respectively	ADV
eurjchem-496	98	30	in	in	ADP
eurjchem-496	98	31	ethanol	ethanol	NOUN
eurjchem-496	98	32	.	.	PUNCT
eurjchem-496	99	1	the	the	DET
eurjchem-496	99	2	uv‐vis	uv‐vis	PROPN
eurjchem-496	99	3	spectrum	spectrum	NOUN
eurjchem-496	99	4	of	of	ADP
eurjchem-496	99	5	compound	compound	NOUN
eurjchem-496	99	6	10	10	NUM
eurjchem-496	99	7	is	be	AUX
eurjchem-496	99	8	presented	present	VERB
eurjchem-496	99	9	in	in	ADP
eurjchem-496	99	10	figure	figure	NOUN
eurjchem-496	99	11	3	3	NUM
eurjchem-496	99	12	.	.	PUNCT
eurjchem-496	100	1	despite	despite	SCONJ
eurjchem-496	100	2	their	their	PRON
eurjchem-496	100	3	expanded	expand	VERB
eurjchem-496	100	4	structures	structure	NOUN
eurjchem-496	100	5	,	,	PUNCT
eurjchem-496	100	6	the	the	DET
eurjchem-496	100	7	electronic	electronic	ADJ
eurjchem-496	100	8	spectra	spectra	NOUN
eurjchem-496	100	9	of	of	ADP
eurjchem-496	100	10	these	these	DET
eurjchem-496	100	11	molecules	molecule	NOUN
eurjchem-496	100	12	are	be	AUX
eurjchem-496	100	13	not	not	PART
eurjchem-496	100	14	differing	differ	VERB
eurjchem-496	100	15	considerably	considerably	ADV
eurjchem-496	100	16	from	from	ADP
eurjchem-496	100	17	the	the	DET
eurjchem-496	100	18	spectrum	spectrum	NOUN
eurjchem-496	100	19	of	of	ADP
eurjchem-496	100	20	the	the	DET
eurjchem-496	100	21	less	less	ADV
eurjchem-496	100	22	structurally	structurally	ADV
eurjchem-496	100	23	expanded	expand	VERB
eurjchem-496	100	24	molecule	molecule	NOUN
eurjchem-496	100	25	named	name	VERB
eurjchem-496	100	26	half	half	NOUN
eurjchem-496	100	27	curcumin	curcumin	NOUN
eurjchem-496	100	28	.	.	PUNCT
eurjchem-496	101	1	this	this	DET
eurjchem-496	101	2	molecule	molecule	NOUN
eurjchem-496	101	3	which	which	PRON
eurjchem-496	101	4	has	have	VERB
eurjchem-496	101	5	isoelctronic	isoelctronic	ADJ
eurjchem-496	101	6	structure	structure	NOUN
eurjchem-496	101	7	to	to	ADP
eurjchem-496	101	8	the	the	DET
eurjchem-496	101	9	styryl	styryl	ADJ
eurjchem-496	101	10	part	part	NOUN
eurjchem-496	101	11	of	of	ADP
eurjchem-496	101	12	the	the	DET
eurjchem-496	101	13	molecules	molecule	NOUN
eurjchem-496	101	14	9	9	NUM
eurjchem-496	101	15	,	,	PUNCT
eurjchem-496	101	16	10	10	NUM
eurjchem-496	101	17	and	and	CCONJ
eurjchem-496	101	18	11	11	NUM
eurjchem-496	101	19	has	have	VERB
eurjchem-496	101	20	an	an	DET
eurjchem-496	101	21	absorption	absorption	NOUN
eurjchem-496	101	22	band	band	NOUN
eurjchem-496	101	23	at	at	ADP
eurjchem-496	101	24	340	340	NUM
eurjchem-496	101	25	nm	nm	NOUN
eurjchem-496	101	26	in	in	ADP
eurjchem-496	101	27	ethanol	ethanol	NOUN
eurjchem-496	101	28	.	.	PUNCT
eurjchem-496	102	1	to	to	PART
eurjchem-496	102	2	discuss	discuss	VERB
eurjchem-496	102	3	the	the	DET
eurjchem-496	102	4	origin	origin	NOUN
eurjchem-496	102	5	of	of	ADP
eurjchem-496	102	6	the	the	DET
eurjchem-496	102	7	spectra	spectra	PROPN
eurjchem-496	102	8	,	,	PUNCT
eurjchem-496	102	9	singlet	singlet	ADJ
eurjchem-496	102	10	excited‐state	excited‐state	ADJ
eurjchem-496	102	11	calculations	calculation	NOUN
eurjchem-496	102	12	were	be	AUX
eurjchem-496	102	13	performed	perform	VERB
eurjchem-496	102	14	on	on	ADP
eurjchem-496	102	15	b3lyp/6‐31g(d	b3lyp/6‐31g(d	PROPN
eurjchem-496	102	16	,	,	PUNCT
eurjchem-496	102	17	p	p	NOUN
eurjchem-496	102	18	)	)	PUNCT
eurjchem-496	102	19	optimized	optimize	VERB
eurjchem-496	102	20	geometries	geometry	NOUN
eurjchem-496	102	21	using	use	VERB
eurjchem-496	102	22	the	the	DET
eurjchem-496	102	23	semi	semi	ADJ
eurjchem-496	102	24	empirical	empirical	ADJ
eurjchem-496	102	25	zindo	zindo	NOUN
eurjchem-496	102	26	method	method	NOUN
eurjchem-496	102	27	for	for	ADP
eurjchem-496	102	28	the	the	DET
eurjchem-496	102	29	molecules	molecule	NOUN
eurjchem-496	102	30	9	9	NUM
eurjchem-496	102	31	,	,	PUNCT
eurjchem-496	102	32	10	10	NUM
eurjchem-496	102	33	and	and	CCONJ
eurjchem-496	102	34	11	11	NUM
eurjchem-496	102	35	.	.	PUNCT
eurjchem-496	103	1	the	the	DET
eurjchem-496	103	2	spectra	spectra	NOUN
eurjchem-496	103	3	of	of	ADP
eurjchem-496	103	4	molecules	molecule	NOUN
eurjchem-496	103	5	1	1	NUM
eurjchem-496	103	6	to	to	PART
eurjchem-496	103	7	8	8	NUM
eurjchem-496	103	8	were	be	AUX
eurjchem-496	103	9	also	also	ADV
eurjchem-496	103	10	calculated	calculate	VERB
eurjchem-496	103	11	for	for	ADP
eurjchem-496	103	12	comparison	comparison	NOUN
eurjchem-496	103	13	.	.	PUNCT
eurjchem-496	104	1	the	the	DET
eurjchem-496	104	2	results	result	NOUN
eurjchem-496	104	3	are	be	AUX
eurjchem-496	104	4	listed	list	VERB
eurjchem-496	104	5	in	in	ADP
eurjchem-496	104	6	table	table	NOUN
eurjchem-496	104	7	4	4	NUM
eurjchem-496	104	8	.	.	PUNCT
eurjchem-496	105	1	the	the	DET
eurjchem-496	105	2	predicted	predict	VERB
eurjchem-496	105	3	spectra	spectra	NOUN
eurjchem-496	105	4	are	be	AUX
eurjchem-496	105	5	in	in	ADP
eurjchem-496	105	6	good	good	ADJ
eurjchem-496	105	7	agreement	agreement	NOUN
eurjchem-496	105	8	with	with	ADP
eurjchem-496	105	9	the	the	DET
eurjchem-496	105	10	experimental	experimental	ADJ
eurjchem-496	105	11	spectra	spectra	NOUN
eurjchem-496	105	12	.	.	PUNCT
eurjchem-496	106	1	the	the	DET
eurjchem-496	106	2	electronic	electronic	ADJ
eurjchem-496	106	3	transitions	transition	NOUN
eurjchem-496	106	4	are	be	AUX
eurjchem-496	106	5	either	either	CCONJ
eurjchem-496	106	6	pure	pure	ADJ
eurjchem-496	106	7	homo	homo	NOUN
eurjchem-496	106	8	to	to	ADP
eurjchem-496	106	9	lumo	lumo	NOUN
eurjchem-496	106	10	transitions	transition	NOUN
eurjchem-496	106	11	as	as	SCONJ
eurjchem-496	106	12	is	be	AUX
eurjchem-496	106	13	the	the	DET
eurjchem-496	106	14	case	case	NOUN
eurjchem-496	106	15	with	with	ADP
eurjchem-496	106	16	molecules	molecule	NOUN
eurjchem-496	106	17	1	1	NUM
eurjchem-496	106	18	,	,	PUNCT
eurjchem-496	106	19	2	2	NUM
eurjchem-496	106	20	,	,	PUNCT
eurjchem-496	106	21	3	3	NUM
eurjchem-496	106	22	,	,	PUNCT
eurjchem-496	106	23	4	4	NUM
eurjchem-496	106	24	,	,	PUNCT
eurjchem-496	106	25	5	5	NUM
eurjchem-496	106	26	,	,	PUNCT
eurjchem-496	106	27	9	9	NUM
eurjchem-496	106	28	and	and	CCONJ
eurjchem-496	106	29	11	11	NUM
eurjchem-496	106	30	or	or	CCONJ
eurjchem-496	106	31	comprises	comprise	VERB
eurjchem-496	106	32	components	component	NOUN
eurjchem-496	106	33	of	of	ADP
eurjchem-496	106	34	homo	homo	NOUN
eurjchem-496	106	35	to	to	ADP
eurjchem-496	106	36	lumo	lumo	NOUN
eurjchem-496	106	37	and	and	CCONJ
eurjchem-496	106	38	other	other	ADJ
eurjchem-496	106	39	transitions	transition	NOUN
eurjchem-496	106	40	like	like	ADP
eurjchem-496	106	41	h‐1	h‐1	PROPN
eurjchem-496	106	42	to	to	ADP
eurjchem-496	106	43	l	l	PROPN
eurjchem-496	106	44	,	,	PUNCT
eurjchem-496	106	45	h	h	NOUN
eurjchem-496	106	46	to	to	ADP
eurjchem-496	106	47	l+2	l+2	VERB
eurjchem-496	106	48	,	,	PUNCT
eurjchem-496	106	49	h‐1	h‐1	PROPN
eurjchem-496	106	50	to	to	ADP
eurjchem-496	106	51	l+1	l+1	PROPN
eurjchem-496	106	52	,	,	PUNCT
eurjchem-496	106	53	h‐2	h‐2	NOUN
eurjchem-496	106	54	to	to	ADP
eurjchem-496	106	55	l+1	l+1	PRON
eurjchem-496	106	56	as	as	SCONJ
eurjchem-496	106	57	is	be	AUX
eurjchem-496	106	58	the	the	DET
eurjchem-496	106	59	case	case	NOUN
eurjchem-496	106	60	of	of	ADP
eurjchem-496	106	61	the	the	DET
eurjchem-496	106	62	molecules	molecule	NOUN
eurjchem-496	106	63	6	6	NUM
eurjchem-496	106	64	,	,	PUNCT
eurjchem-496	106	65	7	7	NUM
eurjchem-496	106	66	,	,	PUNCT
eurjchem-496	106	67	8	8	NUM
eurjchem-496	106	68	and	and	CCONJ
eurjchem-496	106	69	10	10	NUM
eurjchem-496	106	70	,	,	PUNCT
eurjchem-496	106	71	respectively	respectively	ADV
eurjchem-496	106	72	.	.	PUNCT
eurjchem-496	106	73	figure	figure	NOUN
eurjchem-496	106	74	3	3	NUM
eurjchem-496	106	75	.	.	PUNCT
eurjchem-496	107	1	the	the	DET
eurjchem-496	107	2	uv‐vis	uv‐vis	PROPN
eurjchem-496	107	3	spectrum	spectrum	NOUN
eurjchem-496	107	4	of	of	ADP
eurjchem-496	107	5	compound	compound	NOUN
eurjchem-496	107	6	10	10	NUM
eurjchem-496	107	7	in	in	ADP
eurjchem-496	107	8	ethanol	ethanol	NOUN
eurjchem-496	107	9	.	.	PUNCT
eurjchem-496	108	1	saeed	saeed	PROPN
eurjchem-496	108	2	and	and	CCONJ
eurjchem-496	108	3	elias	elias	PROPN
eurjchem-496	108	4	/	/	SYM
eurjchem-496	108	5	european	european	PROPN
eurjchem-496	108	6	journal	journal	PROPN
eurjchem-496	108	7	of	of	ADP
eurjchem-496	108	8	chemistry	chemistry	NOUN
eurjchem-496	108	9	2	2	NUM
eurjchem-496	108	10	(	(	PUNCT
eurjchem-496	108	11	4	4	NUM
eurjchem-496	108	12	)	)	PUNCT
eurjchem-496	108	13	(	(	PUNCT
eurjchem-496	108	14	2011	2011	NUM
eurjchem-496	108	15	)	)	PUNCT
eurjchem-496	108	16	469‐474	469‐474	NOUN
eurjchem-496	108	17	473	473	NUM
eurjchem-496	108	18	figure	figure	NOUN
eurjchem-496	108	19	4	4	NUM
eurjchem-496	108	20	.	.	PUNCT
eurjchem-496	108	21	representation	representation	NOUN
eurjchem-496	108	22	of	of	ADP
eurjchem-496	108	23	the	the	DET
eurjchem-496	108	24	homo	homo	NOUN
eurjchem-496	108	25	and	and	CCONJ
eurjchem-496	108	26	lumo	lumo	NOUN
eurjchem-496	108	27	orbitals	orbital	NOUN
eurjchem-496	108	28	of	of	ADP
eurjchem-496	108	29	molecule	molecule	NOUN
eurjchem-496	108	30	10	10	NUM
eurjchem-496	108	31	determined	determine	VERB
eurjchem-496	108	32	by	by	ADP
eurjchem-496	108	33	b3lyp/6‐31g(d	b3lyp/6‐31g(d	PROPN
eurjchem-496	108	34	,	,	PUNCT
eurjchem-496	108	35	p	p	NOUN
eurjchem-496	108	36	)	)	PUNCT
eurjchem-496	108	37	level	level	NOUN
eurjchem-496	108	38	of	of	ADP
eurjchem-496	108	39	theory	theory	NOUN
eurjchem-496	108	40	.	.	PUNCT
eurjchem-496	109	1	1	1	NUM
eurjchem-496	109	2	2	2	NUM
eurjchem-496	109	3	5	5	NUM
eurjchem-496	109	4	7	7	NUM
eurjchem-496	109	5	9	9	NUM
eurjchem-496	109	6	10	10	NUM
eurjchem-496	109	7	figure	figure	NOUN
eurjchem-496	109	8	5	5	NUM
eurjchem-496	109	9	.	.	PUNCT
eurjchem-496	110	1	the	the	DET
eurjchem-496	110	2	electrostatic	electrostatic	ADJ
eurjchem-496	110	3	potential	potential	NOUN
eurjchem-496	110	4	(	(	PUNCT
eurjchem-496	110	5	esp	esp	ADJ
eurjchem-496	110	6	)	)	PUNCT
eurjchem-496	110	7	,	,	PUNCT
eurjchem-496	110	8	mapped	map	VERB
eurjchem-496	110	9	on	on	ADP
eurjchem-496	110	10	an	an	DET
eurjchem-496	110	11	electron	electron	NOUN
eurjchem-496	110	12	density	density	NOUN
eurjchem-496	110	13	surface	surface	NOUN
eurjchem-496	110	14	that	that	PRON
eurjchem-496	110	15	was	be	AUX
eurjchem-496	110	16	given	give	VERB
eurjchem-496	110	17	by	by	ADP
eurjchem-496	110	18	(	(	PUNCT
eurjchem-496	110	19	scf	scf	PROPN
eurjchem-496	110	20	)	)	PUNCT
eurjchem-496	110	21	for	for	ADP
eurjchem-496	110	22	the	the	DET
eurjchem-496	110	23	molecules	molecule	NOUN
eurjchem-496	110	24	1	1	NUM
eurjchem-496	110	25	,	,	PUNCT
eurjchem-496	110	26	2	2	NUM
eurjchem-496	110	27	,	,	PUNCT
eurjchem-496	110	28	3	3	NUM
eurjchem-496	110	29	,	,	PUNCT
eurjchem-496	110	30	9	9	NUM
eurjchem-496	110	31	and	and	CCONJ
eurjchem-496	110	32	10	10	NUM
eurjchem-496	110	33	.	.	PUNCT
eurjchem-496	111	1	the	the	DET
eurjchem-496	111	2	positively	positively	ADV
eurjchem-496	111	3	charged	charge	VERB
eurjchem-496	111	4	regions	region	NOUN
eurjchem-496	111	5	are	be	AUX
eurjchem-496	111	6	blue	blue	ADJ
eurjchem-496	111	7	and	and	CCONJ
eurjchem-496	111	8	green	green	ADJ
eurjchem-496	111	9	while	while	SCONJ
eurjchem-496	111	10	regions	region	NOUN
eurjchem-496	111	11	with	with	ADP
eurjchem-496	111	12	higher	high	ADJ
eurjchem-496	111	13	electron	electron	NOUN
eurjchem-496	111	14	density	density	NOUN
eurjchem-496	111	15	are	be	AUX
eurjchem-496	111	16	mapped	map	VERB
eurjchem-496	111	17	from	from	ADP
eurjchem-496	111	18	red	red	ADJ
eurjchem-496	111	19	to	to	ADP
eurjchem-496	111	20	blue	blue	VERB
eurjchem-496	111	21	.	.	PUNCT
eurjchem-496	112	1	3.5	3.5	NUM
eurjchem-496	112	2	.	.	PUNCT
eurjchem-496	112	3	effect	effect	NOUN
eurjchem-496	112	4	of	of	ADP
eurjchem-496	112	5	substituent	substituent	NOUN
eurjchem-496	112	6	on	on	ADP
eurjchem-496	112	7	the	the	DET
eurjchem-496	112	8	electronic	electronic	ADJ
eurjchem-496	112	9	spectra	spectra	NOUN
eurjchem-496	112	10	for	for	ADP
eurjchem-496	112	11	methyl	methyl	NOUN
eurjchem-496	112	12	as	as	ADP
eurjchem-496	112	13	substituent	substituent	NOUN
eurjchem-496	112	14	,	,	PUNCT
eurjchem-496	112	15	it	it	PRON
eurjchem-496	112	16	has	have	VERB
eurjchem-496	112	17	the	the	DET
eurjchem-496	112	18	largest	large	ADJ
eurjchem-496	112	19	effect	effect	NOUN
eurjchem-496	112	20	when	when	SCONJ
eurjchem-496	112	21	the	the	DET
eurjchem-496	112	22	substitution	substitution	NOUN
eurjchem-496	112	23	occurs	occur	VERB
eurjchem-496	112	24	at	at	ADP
eurjchem-496	112	25	n1	n1	NOUN
eurjchem-496	112	26	,	,	PUNCT
eurjchem-496	112	27	so	so	ADV
eurjchem-496	112	28	the	the	DET
eurjchem-496	112	29	calculated	calculate	VERB
eurjchem-496	112	30	band	band	NOUN
eurjchem-496	112	31	is	be	AUX
eurjchem-496	112	32	shifted	shift	VERB
eurjchem-496	112	33	from	from	ADP
eurjchem-496	112	34	272	272	NUM
eurjchem-496	112	35	in	in	ADP
eurjchem-496	112	36	molecule	molecule	NOUN
eurjchem-496	112	37	1	1	NUM
eurjchem-496	112	38	to	to	ADP
eurjchem-496	112	39	283	283	NUM
eurjchem-496	112	40	nm	nm	NOUN
eurjchem-496	112	41	in	in	ADP
eurjchem-496	112	42	molecule	molecule	NOUN
eurjchem-496	112	43	2	2	NUM
eurjchem-496	112	44	.	.	X
eurjchem-496	112	45	substitution	substitution	NOUN
eurjchem-496	112	46	by	by	ADP
eurjchem-496	112	47	methyl	methyl	NOUN
eurjchem-496	112	48	at	at	ADP
eurjchem-496	112	49	the	the	DET
eurjchem-496	112	50	atoms	atom	NOUN
eurjchem-496	112	51	c2	c2	PROPN
eurjchem-496	112	52	and	and	CCONJ
eurjchem-496	112	53	c6	c6	PROPN
eurjchem-496	112	54	essentially	essentially	ADV
eurjchem-496	112	55	has	have	VERB
eurjchem-496	112	56	no	no	DET
eurjchem-496	112	57	important	important	ADJ
eurjchem-496	112	58	effect	effect	NOUN
eurjchem-496	112	59	and	and	CCONJ
eurjchem-496	112	60	the	the	DET
eurjchem-496	112	61	predicted	predict	VERB
eurjchem-496	112	62	bands	band	NOUN
eurjchem-496	112	63	in	in	ADP
eurjchem-496	112	64	molecules	molecule	NOUN
eurjchem-496	112	65	3	3	NUM
eurjchem-496	112	66	and	and	CCONJ
eurjchem-496	112	67	4	4	NUM
eurjchem-496	112	68	are	be	AUX
eurjchem-496	112	69	275	275	NUM
eurjchem-496	112	70	nm	nm	NOUN
eurjchem-496	112	71	.	.	PUNCT
eurjchem-496	113	1	as	as	SCONJ
eurjchem-496	113	2	it	it	PRON
eurjchem-496	113	3	is	be	AUX
eurjchem-496	113	4	the	the	DET
eurjchem-496	113	5	case	case	NOUN
eurjchem-496	113	6	with	with	ADP
eurjchem-496	113	7	the	the	DET
eurjchem-496	113	8	methyl	methyl	NOUN
eurjchem-496	113	9	group	group	NOUN
eurjchem-496	113	10	the	the	DET
eurjchem-496	113	11	phenyl	phenyl	NOUN
eurjchem-496	113	12	group	group	NOUN
eurjchem-496	113	13	has	have	VERB
eurjchem-496	113	14	its	its	PRON
eurjchem-496	113	15	largest	large	ADJ
eurjchem-496	113	16	effect	effect	NOUN
eurjchem-496	113	17	at	at	ADP
eurjchem-496	113	18	the	the	DET
eurjchem-496	113	19	position	position	NOUN
eurjchem-496	113	20	n1	n1	NOUN
eurjchem-496	113	21	compared	compare	VERB
eurjchem-496	113	22	to	to	ADP
eurjchem-496	113	23	c2	c2	PROPN
eurjchem-496	113	24	and	and	CCONJ
eurjchem-496	113	25	c6	c6	PROPN
eurjchem-496	113	26	positions	position	NOUN
eurjchem-496	113	27	.	.	PUNCT
eurjchem-496	114	1	substitution	substitution	NOUN
eurjchem-496	114	2	with	with	ADP
eurjchem-496	114	3	phenyl	phenyl	NOUN
eurjchem-496	114	4	ring	ring	NOUN
eurjchem-496	114	5	at	at	ADP
eurjchem-496	114	6	n1	n1	PROPN
eurjchem-496	114	7	leads	lead	VERB
eurjchem-496	114	8	to	to	ADP
eurjchem-496	114	9	much	much	ADV
eurjchem-496	114	10	more	more	ADJ
eurjchem-496	114	11	red	red	ADJ
eurjchem-496	114	12	shift	shift	NOUN
eurjchem-496	114	13	and	and	CCONJ
eurjchem-496	114	14	the	the	DET
eurjchem-496	114	15	band	band	NOUN
eurjchem-496	114	16	occurs	occur	VERB
eurjchem-496	114	17	at	at	ADP
eurjchem-496	114	18	301	301	NUM
eurjchem-496	114	19	nm	nm	NOUN
eurjchem-496	114	20	.	.	PUNCT
eurjchem-496	114	21	substitution	substitution	NOUN
eurjchem-496	114	22	at	at	ADP
eurjchem-496	114	23	c2	c2	PROPN
eurjchem-496	114	24	has	have	VERB
eurjchem-496	114	25	essentially	essentially	ADV
eurjchem-496	114	26	the	the	DET
eurjchem-496	114	27	same	same	ADJ
eurjchem-496	114	28	effect	effect	NOUN
eurjchem-496	114	29	and	and	CCONJ
eurjchem-496	114	30	the	the	DET
eurjchem-496	114	31	band	band	NOUN
eurjchem-496	114	32	appears	appear	VERB
eurjchem-496	114	33	at	at	ADP
eurjchem-496	114	34	299.5	299.5	NUM
eurjchem-496	114	35	nm	nm	NOUN
eurjchem-496	114	36	.	.	PUNCT
eurjchem-496	115	1	this	this	DET
eurjchem-496	115	2	red	red	ADJ
eurjchem-496	115	3	shift	shift	NOUN
eurjchem-496	115	4	is	be	AUX
eurjchem-496	115	5	a	a	DET
eurjchem-496	115	6	result	result	NOUN
eurjchem-496	115	7	of	of	ADP
eurjchem-496	115	8	the	the	DET
eurjchem-496	115	9	conjugation	conjugation	NOUN
eurjchem-496	115	10	through	through	ADP
eurjchem-496	115	11	the	the	DET
eurjchem-496	115	12	electronic	electronic	ADJ
eurjchem-496	115	13	systems	system	NOUN
eurjchem-496	115	14	n1‐c2‐c3‐c4	n1‐c2‐c3‐c4	NOUN
eurjchem-496	115	15	=	=	NOUN
eurjchem-496	115	16	o	o	X
eurjchem-496	115	17	and	and	CCONJ
eurjchem-496	115	18	c2‐c3‐c4	c2‐c3‐c4	PROPN
eurjchem-496	115	19	=	=	SYM
eurjchem-496	115	20	o	o	NOUN
eurjchem-496	115	21	,	,	PUNCT
eurjchem-496	115	22	respectively	respectively	ADV
eurjchem-496	115	23	,	,	PUNCT
eurjchem-496	115	24	in	in	ADP
eurjchem-496	115	25	which	which	PRON
eurjchem-496	115	26	the	the	DET
eurjchem-496	115	27	electron	electron	NOUN
eurjchem-496	115	28	density	density	NOUN
eurjchem-496	115	29	transferred	transfer	VERB
eurjchem-496	115	30	from	from	ADP
eurjchem-496	115	31	the	the	DET
eurjchem-496	115	32	phenyl	phenyl	NOUN
eurjchem-496	115	33	groups	group	NOUN
eurjchem-496	115	34	to	to	ADP
eurjchem-496	115	35	these	these	DET
eurjchem-496	115	36	electronic	electronic	ADJ
eurjchem-496	115	37	systems	system	NOUN
eurjchem-496	115	38	.	.	PUNCT
eurjchem-496	116	1	wiberg	wiberg	PROPN
eurjchem-496	116	2	bond	bond	NOUN
eurjchem-496	116	3	index	index	NOUN
eurjchem-496	116	4	values	value	NOUN
eurjchem-496	116	5	supported	support	VERB
eurjchem-496	116	6	this	this	DET
eurjchem-496	116	7	conclusion	conclusion	NOUN
eurjchem-496	116	8	.	.	PUNCT
eurjchem-496	117	1	in	in	ADP
eurjchem-496	117	2	accordance	accordance	NOUN
eurjchem-496	117	3	with	with	ADP
eurjchem-496	117	4	the	the	DET
eurjchem-496	117	5	conclusion	conclusion	NOUN
eurjchem-496	117	6	based	base	VERB
eurjchem-496	117	7	on	on	ADP
eurjchem-496	117	8	wiberg	wiberg	PROPN
eurjchem-496	117	9	bond	bond	PROPN
eurjchem-496	117	10	index	index	NOUN
eurjchem-496	117	11	,	,	PUNCT
eurjchem-496	117	12	substitution	substitution	NOUN
eurjchem-496	117	13	of	of	ADP
eurjchem-496	117	14	phenyl	phenyl	NOUN
eurjchem-496	117	15	group	group	NOUN
eurjchem-496	117	16	at	at	ADP
eurjchem-496	117	17	position	position	NOUN
eurjchem-496	117	18	c6	c6	PROPN
eurjchem-496	117	19	has	have	VERB
eurjchem-496	117	20	negligible	negligible	ADJ
eurjchem-496	117	21	effect	effect	NOUN
eurjchem-496	117	22	on	on	ADP
eurjchem-496	117	23	the	the	DET
eurjchem-496	117	24	spectra	spectra	NOUN
eurjchem-496	117	25	and	and	CCONJ
eurjchem-496	117	26	the	the	DET
eurjchem-496	117	27	band	band	NOUN
eurjchem-496	117	28	in	in	ADP
eurjchem-496	117	29	molecule	molecule	NOUN
eurjchem-496	117	30	7	7	NUM
eurjchem-496	117	31	occurs	occur	VERB
eurjchem-496	117	32	at	at	ADP
eurjchem-496	117	33	274	274	NUM
eurjchem-496	117	34	nm	nm	NOUN
eurjchem-496	117	35	.	.	PUNCT
eurjchem-496	117	36	substitution	substitution	PROPN
eurjchem-496	117	37	a	a	DET
eurjchem-496	117	38	styryl	styryl	NOUN
eurjchem-496	117	39	group	group	NOUN
eurjchem-496	117	40	at	at	ADP
eurjchem-496	117	41	c2	c2	PROPN
eurjchem-496	117	42	has	have	VERB
eurjchem-496	117	43	more	more	ADV
eurjchem-496	117	44	pronounced	pronounced	ADJ
eurjchem-496	117	45	effect	effect	NOUN
eurjchem-496	117	46	on	on	ADP
eurjchem-496	117	47	the	the	DET
eurjchem-496	117	48	spectra	spectra	NOUN
eurjchem-496	117	49	and	and	CCONJ
eurjchem-496	117	50	molecule	molecule	NOUN
eurjchem-496	117	51	8	8	NUM
eurjchem-496	117	52	has	have	VERB
eurjchem-496	117	53	its	its	PRON
eurjchem-496	117	54	main	main	ADJ
eurjchem-496	117	55	absorption	absorption	NOUN
eurjchem-496	117	56	band	band	NOUN
eurjchem-496	117	57	at	at	ADP
eurjchem-496	117	58	337	337	NUM
eurjchem-496	117	59	nm	nm	NOUN
eurjchem-496	117	60	(	(	PUNCT
eurjchem-496	117	61	table	table	NOUN
eurjchem-496	117	62	4	4	NUM
eurjchem-496	117	63	)	)	PUNCT
eurjchem-496	117	64	474	474	NUM
eurjchem-496	117	65	saeed	saeed	NOUN
eurjchem-496	117	66	and	and	CCONJ
eurjchem-496	117	67	elias	elias	PROPN
eurjchem-496	117	68	/	/	SYM
eurjchem-496	117	69	european	european	PROPN
eurjchem-496	117	70	journal	journal	PROPN
eurjchem-496	117	71	of	of	ADP
eurjchem-496	117	72	chemistry	chemistry	NOUN
eurjchem-496	117	73	2	2	NUM
eurjchem-496	117	74	(	(	PUNCT
eurjchem-496	117	75	4	4	NUM
eurjchem-496	117	76	)	)	PUNCT
eurjchem-496	117	77	(	(	PUNCT
eurjchem-496	117	78	2011	2011	NUM
eurjchem-496	117	79	)	)	PUNCT
eurjchem-496	117	80	469‐474	469‐474	NOUN
eurjchem-496	117	81	which	which	PRON
eurjchem-496	117	82	is	be	AUX
eurjchem-496	117	83	comparable	comparable	ADJ
eurjchem-496	117	84	in	in	ADP
eurjchem-496	117	85	position	position	NOUN
eurjchem-496	117	86	to	to	ADP
eurjchem-496	117	87	that	that	PRON
eurjchem-496	117	88	predicted	predict	VERB
eurjchem-496	117	89	for	for	ADP
eurjchem-496	117	90	molecule	molecule	NOUN
eurjchem-496	117	91	9	9	NUM
eurjchem-496	117	92	.	.	PUNCT
eurjchem-496	118	1	in	in	ADP
eurjchem-496	118	2	molecule	molecule	NOUN
eurjchem-496	118	3	10	10	NUM
eurjchem-496	118	4	the	the	DET
eurjchem-496	118	5	predicted	predict	VERB
eurjchem-496	118	6	band	band	NOUN
eurjchem-496	118	7	red	red	NOUN
eurjchem-496	118	8	shifted	shift	VERB
eurjchem-496	118	9	with	with	ADP
eurjchem-496	118	10	respect	respect	NOUN
eurjchem-496	118	11	to	to	ADP
eurjchem-496	118	12	that	that	PRON
eurjchem-496	118	13	of	of	ADP
eurjchem-496	118	14	molecule	molecule	NOUN
eurjchem-496	118	15	9	9	NUM
eurjchem-496	118	16	as	as	ADP
eurjchem-496	118	17	result	result	NOUN
eurjchem-496	118	18	of	of	ADP
eurjchem-496	118	19	the	the	DET
eurjchem-496	118	20	presence	presence	NOUN
eurjchem-496	118	21	of	of	ADP
eurjchem-496	118	22	the	the	DET
eurjchem-496	118	23	hydroxyl	hydroxyl	NOUN
eurjchem-496	118	24	group	group	NOUN
eurjchem-496	118	25	in	in	ADP
eurjchem-496	118	26	the	the	DET
eurjchem-496	118	27	styryl	styryl	PROPN
eurjchem-496	118	28	substituent	substituent	NOUN
eurjchem-496	118	29	which	which	PRON
eurjchem-496	118	30	expands	expand	VERB
eurjchem-496	118	31	the	the	DET
eurjchem-496	118	32	electronic	electronic	ADJ
eurjchem-496	118	33	structure	structure	NOUN
eurjchem-496	118	34	even	even	ADV
eurjchem-496	118	35	more	more	ADV
eurjchem-496	118	36	leading	lead	VERB
eurjchem-496	118	37	to	to	ADP
eurjchem-496	118	38	more	more	ADJ
eurjchem-496	118	39	conjugation	conjugation	NOUN
eurjchem-496	118	40	effect	effect	NOUN
eurjchem-496	118	41	.	.	PUNCT
eurjchem-496	119	1	the	the	DET
eurjchem-496	119	2	frontier	frontier	NOUN
eurjchem-496	119	3	orbitals	orbital	NOUN
eurjchem-496	119	4	,	,	PUNCT
eurjchem-496	119	5	namely	namely	ADV
eurjchem-496	119	6	the	the	DET
eurjchem-496	119	7	homo	homo	NOUN
eurjchem-496	119	8	and	and	CCONJ
eurjchem-496	119	9	the	the	DET
eurjchem-496	119	10	lumo	lumo	NOUN
eurjchem-496	119	11	of	of	ADP
eurjchem-496	119	12	molecule	molecule	NOUN
eurjchem-496	119	13	10	10	NUM
eurjchem-496	119	14	calculated	calculate	VERB
eurjchem-496	119	15	for	for	ADP
eurjchem-496	119	16	optimized	optimize	VERB
eurjchem-496	119	17	b3lyp/6‐31g(d	b3lyp/6‐31g(d	PROPN
eurjchem-496	119	18	,	,	PUNCT
eurjchem-496	119	19	p	p	NOUN
eurjchem-496	119	20	)	)	PUNCT
eurjchem-496	119	21	level	level	NOUN
eurjchem-496	119	22	of	of	ADP
eurjchem-496	119	23	theory	theory	NOUN
eurjchem-496	119	24	are	be	AUX
eurjchem-496	119	25	shown	show	VERB
eurjchem-496	119	26	in	in	ADP
eurjchem-496	119	27	figure	figure	NOUN
eurjchem-496	119	28	4	4	NUM
eurjchem-496	119	29	.	.	PUNCT
eurjchem-496	120	1	the	the	DET
eurjchem-496	120	2	homo	homo	NOUN
eurjchem-496	120	3	orbital	orbital	NOUN
eurjchem-496	120	4	is	be	AUX
eurjchem-496	120	5	spread	spread	VERB
eurjchem-496	120	6	over	over	ADP
eurjchem-496	120	7	the	the	DET
eurjchem-496	120	8	whole	whole	ADJ
eurjchem-496	120	9	skeleton	skeleton	NOUN
eurjchem-496	120	10	of	of	ADP
eurjchem-496	120	11	the	the	DET
eurjchem-496	120	12	molecule	molecule	NOUN
eurjchem-496	120	13	and	and	CCONJ
eurjchem-496	120	14	is	be	AUX
eurjchem-496	120	15	antibonding	antibonde	VERB
eurjchem-496	120	16	at	at	ADP
eurjchem-496	120	17	the	the	DET
eurjchem-496	120	18	bond	bond	NOUN
eurjchem-496	120	19	c5‐c6	c5‐c6	NOUN
eurjchem-496	120	20	while	while	SCONJ
eurjchem-496	120	21	the	the	DET
eurjchem-496	120	22	lumo	lumo	ADJ
eurjchem-496	120	23	orbital	orbital	NOUN
eurjchem-496	120	24	spreads	spread	NOUN
eurjchem-496	120	25	over	over	ADP
eurjchem-496	120	26	the	the	DET
eurjchem-496	120	27	styryl	styryl	ADJ
eurjchem-496	120	28	side	side	NOUN
eurjchem-496	120	29	only	only	ADV
eurjchem-496	120	30	.	.	PUNCT
eurjchem-496	121	1	this	this	PRON
eurjchem-496	121	2	may	may	AUX
eurjchem-496	121	3	accounts	account	VERB
eurjchem-496	121	4	for	for	ADP
eurjchem-496	121	5	the	the	DET
eurjchem-496	121	6	finding	finding	NOUN
eurjchem-496	121	7	that	that	SCONJ
eurjchem-496	121	8	the	the	DET
eurjchem-496	121	9	aromatic	aromatic	ADJ
eurjchem-496	121	10	substituent	substituent	NOUN
eurjchem-496	121	11	at	at	ADP
eurjchem-496	121	12	c6	c6	PROPN
eurjchem-496	121	13	has	have	AUX
eurjchem-496	121	14	negligible	negligible	ADJ
eurjchem-496	121	15	effect	effect	NOUN
eurjchem-496	121	16	on	on	ADP
eurjchem-496	121	17	the	the	DET
eurjchem-496	121	18	main	main	ADJ
eurjchem-496	121	19	absorption	absorption	NOUN
eurjchem-496	121	20	band	band	NOUN
eurjchem-496	121	21	in	in	ADP
eurjchem-496	121	22	the	the	DET
eurjchem-496	121	23	electronic	electronic	ADJ
eurjchem-496	121	24	spectra	spectra	NOUN
eurjchem-496	121	25	of	of	ADP
eurjchem-496	121	26	the	the	DET
eurjchem-496	121	27	molecules	molecule	NOUN
eurjchem-496	121	28	studies	study	NOUN
eurjchem-496	121	29	.	.	PUNCT
eurjchem-496	122	1	3.6	3.6	NUM
eurjchem-496	122	2	.	.	PUNCT
eurjchem-496	123	1	isoelectronic	isoelectronic	ADJ
eurjchem-496	123	2	potential	potential	ADJ
eurjchem-496	123	3	surfaces	surface	NOUN
eurjchem-496	123	4	the	the	DET
eurjchem-496	123	5	electronic	electronic	ADJ
eurjchem-496	123	6	potential	potential	ADJ
eurjchem-496	123	7	surfaces	surface	NOUN
eurjchem-496	123	8	obtained	obtain	VERB
eurjchem-496	123	9	for	for	ADP
eurjchem-496	123	10	some	some	DET
eurjchem-496	123	11	representative	representative	ADJ
eurjchem-496	123	12	molecules	molecule	NOUN
eurjchem-496	123	13	are	be	AUX
eurjchem-496	123	14	depicted	depict	VERB
eurjchem-496	123	15	in	in	ADP
eurjchem-496	123	16	figure	figure	NOUN
eurjchem-496	123	17	5	5	NUM
eurjchem-496	123	18	.	.	PUNCT
eurjchem-496	124	1	the	the	DET
eurjchem-496	124	2	large	large	ADJ
eurjchem-496	124	3	red	red	ADJ
eurjchem-496	124	4	region	region	NOUN
eurjchem-496	124	5	around	around	ADP
eurjchem-496	124	6	the	the	DET
eurjchem-496	124	7	carbonyl	carbonyl	NOUN
eurjchem-496	124	8	,	,	PUNCT
eurjchem-496	124	9	hydroxyl	hydroxyl	NOUN
eurjchem-496	124	10	and	and	CCONJ
eurjchem-496	124	11	alkoxyl	alkoxyl	NOUN
eurjchem-496	124	12	groups	group	NOUN
eurjchem-496	124	13	and	and	CCONJ
eurjchem-496	124	14	n1	n1	NOUN
eurjchem-496	124	15	is	be	AUX
eurjchem-496	124	16	indicative	indicative	ADJ
eurjchem-496	124	17	of	of	ADP
eurjchem-496	124	18	the	the	DET
eurjchem-496	124	19	existence	existence	NOUN
eurjchem-496	124	20	of	of	ADP
eurjchem-496	124	21	higher	high	ADJ
eurjchem-496	124	22	negative	negative	ADJ
eurjchem-496	124	23	electrostatic	electrostatic	ADJ
eurjchem-496	124	24	potential	potential	NOUN
eurjchem-496	124	25	indicating	indicate	VERB
eurjchem-496	124	26	favorable	favorable	ADJ
eurjchem-496	124	27	interaction	interaction	NOUN
eurjchem-496	124	28	energy	energy	NOUN
eurjchem-496	124	29	with	with	ADP
eurjchem-496	124	30	electronic	electronic	ADJ
eurjchem-496	124	31	density	density	NOUN
eurjchem-496	124	32	acceptors	acceptor	NOUN
eurjchem-496	124	33	.	.	PUNCT
eurjchem-496	125	1	this	this	PRON
eurjchem-496	125	2	suggest	suggest	VERB
eurjchem-496	125	3	that	that	SCONJ
eurjchem-496	125	4	dihydropyridones	dihydropyridone	NOUN
eurjchem-496	125	5	that	that	PRON
eurjchem-496	125	6	are	be	AUX
eurjchem-496	125	7	derived	derive	VERB
eurjchem-496	125	8	from	from	ADP
eurjchem-496	125	9	curcumin	curcumin	NOUN
eurjchem-496	125	10	(	(	PUNCT
eurjchem-496	125	11	molecules	molecule	NOUN
eurjchem-496	125	12	10	10	NUM
eurjchem-496	125	13	and	and	CCONJ
eurjchem-496	125	14	11	11	NUM
eurjchem-496	125	15	)	)	PUNCT
eurjchem-496	125	16	are	be	AUX
eurjchem-496	125	17	probably	probably	ADV
eurjchem-496	125	18	more	more	ADV
eurjchem-496	125	19	active	active	ADJ
eurjchem-496	125	20	compare	compare	NOUN
eurjchem-496	125	21	to	to	ADP
eurjchem-496	125	22	the	the	DET
eurjchem-496	125	23	other	other	ADJ
eurjchem-496	125	24	studied	study	VERB
eurjchem-496	125	25	dihydropyridones	dihydropyridone	NOUN
eurjchem-496	125	26	due	due	ADP
eurjchem-496	125	27	to	to	ADP
eurjchem-496	125	28	the	the	DET
eurjchem-496	125	29	presence	presence	NOUN
eurjchem-496	125	30	of	of	ADP
eurjchem-496	125	31	sites	site	NOUN
eurjchem-496	125	32	that	that	PRON
eurjchem-496	125	33	are	be	AUX
eurjchem-496	125	34	strong	strong	ADJ
eurjchem-496	125	35	attractors	attractor	NOUN
eurjchem-496	125	36	of	of	ADP
eurjchem-496	125	37	electron	electron	NOUN
eurjchem-496	125	38	density	density	NOUN
eurjchem-496	125	39	.	.	PUNCT
eurjchem-496	126	1	4	4	X
eurjchem-496	126	2	.	.	X
eurjchem-496	126	3	conclusion	conclusion	NOUN
eurjchem-496	126	4	the	the	DET
eurjchem-496	126	5	results	result	NOUN
eurjchem-496	126	6	obtained	obtain	VERB
eurjchem-496	126	7	in	in	ADP
eurjchem-496	126	8	this	this	DET
eurjchem-496	126	9	work	work	NOUN
eurjchem-496	126	10	lead	lead	NOUN
eurjchem-496	126	11	to	to	ADP
eurjchem-496	126	12	the	the	DET
eurjchem-496	126	13	conclusion	conclusion	NOUN
eurjchem-496	126	14	that	that	SCONJ
eurjchem-496	126	15	for	for	SCONJ
eurjchem-496	126	16	substitution	substitution	NOUN
eurjchem-496	126	17	to	to	PART
eurjchem-496	126	18	be	be	AUX
eurjchem-496	126	19	affective	affective	ADJ
eurjchem-496	126	20	in	in	ADP
eurjchem-496	126	21	compounds	compound	NOUN
eurjchem-496	126	22	studied	study	VERB
eurjchem-496	126	23	it	it	PRON
eurjchem-496	126	24	must	must	AUX
eurjchem-496	126	25	be	be	AUX
eurjchem-496	126	26	occurring	occur	VERB
eurjchem-496	126	27	at	at	ADP
eurjchem-496	126	28	the	the	DET
eurjchem-496	126	29	atoms	atom	NOUN
eurjchem-496	126	30	n1	n1	NOUN
eurjchem-496	126	31	and	and	CCONJ
eurjchem-496	126	32	c2	c2	PROPN
eurjchem-496	126	33	.	.	PUNCT
eurjchem-496	126	34	substitution	substitution	NOUN
eurjchem-496	126	35	on	on	ADP
eurjchem-496	126	36	c6	c6	PROPN
eurjchem-496	126	37	practically	practically	ADV
eurjchem-496	126	38	has	have	VERB
eurjchem-496	126	39	no	no	DET
eurjchem-496	126	40	effects	effect	NOUN
eurjchem-496	126	41	on	on	ADP
eurjchem-496	126	42	the	the	DET
eurjchem-496	126	43	structural	structural	NOUN
eurjchem-496	126	44	or	or	CCONJ
eurjchem-496	126	45	the	the	DET
eurjchem-496	126	46	electronic	electronic	ADJ
eurjchem-496	126	47	properties	property	NOUN
eurjchem-496	126	48	.	.	PUNCT
eurjchem-496	127	1	accordingly	accordingly	ADV
eurjchem-496	127	2	the	the	DET
eurjchem-496	127	3	electronic	electronic	ADJ
eurjchem-496	127	4	spectra	spectra	NOUN
eurjchem-496	127	5	are	be	AUX
eurjchem-496	127	6	solely	solely	ADV
eurjchem-496	127	7	affected	affect	VERB
eurjchem-496	127	8	by	by	ADP
eurjchem-496	127	9	substituent	substituent	NOUN
eurjchem-496	127	10	on	on	ADP
eurjchem-496	127	11	n1	n1	PROPN
eurjchem-496	127	12	and	and	CCONJ
eurjchem-496	127	13	c2	c2	PROPN
eurjchem-496	127	14	.	.	PUNCT
eurjchem-496	128	1	according	accord	VERB
eurjchem-496	128	2	to	to	ADP
eurjchem-496	128	3	isoelectronic	isoelectronic	ADJ
eurjchem-496	128	4	potential	potential	ADJ
eurjchem-496	128	5	surfaces	surface	NOUN
eurjchem-496	128	6	dihydrpiridones	dihydrpiridone	NOUN
eurjchem-496	128	7	seem	seem	VERB
eurjchem-496	128	8	to	to	PART
eurjchem-496	128	9	be	be	AUX
eurjchem-496	128	10	more	more	ADV
eurjchem-496	128	11	active	active	ADJ
eurjchem-496	128	12	compared	compare	VERB
eurjchem-496	128	13	to	to	ADP
eurjchem-496	128	14	the	the	DET
eurjchem-496	128	15	other	other	ADJ
eurjchem-496	128	16	molecules	molecule	NOUN
eurjchem-496	128	17	due	due	ADP
eurjchem-496	128	18	to	to	ADP
eurjchem-496	128	19	the	the	DET
eurjchem-496	128	20	presence	presence	NOUN
eurjchem-496	128	21	of	of	ADP
eurjchem-496	128	22	sites	site	NOUN
eurjchem-496	128	23	that	that	PRON
eurjchem-496	128	24	are	be	AUX
eurjchem-496	128	25	strong	strong	ADJ
eurjchem-496	128	26	attractors	attractor	NOUN
eurjchem-496	128	27	of	of	ADP
eurjchem-496	128	28	electron	electron	NOUN
eurjchem-496	128	29	density	density	NOUN
eurjchem-496	128	30	.	.	PUNCT
eurjchem-496	129	1	references	reference	NOUN
eurjchem-496	129	2	[	[	X
eurjchem-496	129	3	1	1	NUM
eurjchem-496	129	4	]	]	PUNCT
eurjchem-496	129	5	.	.	PUNCT
eurjchem-496	130	1	saeed	saeed	PROPN
eurjchem-496	130	2	,	,	PUNCT
eurjchem-496	130	3	b.	b.	PROPN
eurjchem-496	130	4	a.	a.	PROPN
eurjchem-496	130	5	;	;	PUNCT
eurjchem-496	130	6	radhi	radhi	PROPN
eurjchem-496	130	7	,	,	PUNCT
eurjchem-496	130	8	w.	w.	PROPN
eurjchem-496	130	9	a.	a.	PROPN
eurjchem-496	130	10	;	;	PUNCT
eurjchem-496	130	11	elias	elias	PROPN
eurjchem-496	130	12	,	,	PUNCT
eurjchem-496	130	13	r.	r.	PROPN
eurjchem-496	130	14	s.	s.	PROPN
eurjchem-496	130	15	tetrahedron	tetrahedron	PROPN
eurjchem-496	130	16	lett	lett	PROPN
eurjchem-496	130	17	.	.	PUNCT
eurjchem-496	131	1	2010	2010	NUM
eurjchem-496	131	2	,	,	PUNCT
eurjchem-496	131	3	51	51	NUM
eurjchem-496	131	4	,	,	PUNCT
eurjchem-496	131	5	2798‐	2798‐	NUM
eurjchem-496	131	6	2880	2880	NUM
eurjchem-496	131	7	.	.	PUNCT
eurjchem-496	132	1	[	[	X
eurjchem-496	132	2	2	2	NUM
eurjchem-496	132	3	]	]	PUNCT
eurjchem-496	132	4	.	.	PUNCT
eurjchem-496	133	1	waldman	waldman	PROPN
eurjchem-496	133	2	,	,	PUNCT
eurjchem-496	133	3	h.	h.	PROPN
eurjchem-496	133	4	;	;	PUNCT
eurjchem-496	133	5	braun	braun	NOUN
eurjchem-496	133	6	,	,	PUNCT
eurjchem-496	133	7	m.	m.	NOUN
eurjchem-496	133	8	j.	j.	PROPN
eurjchem-496	133	9	org	org	PROPN
eurjchem-496	133	10	.	.	PUNCT
eurjchem-496	133	11	chem	chem	PROPN
eurjchem-496	133	12	.	.	PUNCT
eurjchem-496	134	1	1992	1992	NUM
eurjchem-496	134	2	,	,	PUNCT
eurjchem-496	134	3	57	57	NUM
eurjchem-496	134	4	,	,	PUNCT
eurjchem-496	134	5	4444‐4451	4444‐4451	NUM
eurjchem-496	134	6	.	.	PUNCT
eurjchem-496	135	1	[	[	X
eurjchem-496	135	2	3	3	NUM
eurjchem-496	135	3	]	]	PUNCT
eurjchem-496	135	4	.	.	PUNCT
eurjchem-496	136	1	huang	huang	PROPN
eurjchem-496	136	2	,	,	PUNCT
eurjchem-496	136	3	y	y	PROPN
eurjchem-496	136	4	;	;	PUNCT
eurjchem-496	136	5	rawal	rawal	PROPN
eurjchem-496	136	6	,	,	PUNCT
eurjchem-496	136	7	v.	v.	PROPN
eurjchem-496	136	8	h.	h.	PROPN
eurjchem-496	136	9	org	org	PROPN
eurjchem-496	136	10	.	.	PUNCT
eurjchem-496	137	1	lett	lett	PROPN
eurjchem-496	137	2	.	.	PROPN
eurjchem-496	138	1	2000	2000	NUM
eurjchem-496	138	2	,	,	PUNCT
eurjchem-496	138	3	2	2	NUM
eurjchem-496	138	4	,	,	PUNCT
eurjchem-496	138	5	3321‐3323	3321‐3323	NUM
eurjchem-496	138	6	.	.	PUNCT
eurjchem-496	139	1	[	[	X
eurjchem-496	139	2	4	4	NUM
eurjchem-496	139	3	]	]	PUNCT
eurjchem-496	139	4	.	.	PUNCT
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eurjchem-496	140	5	;	;	PUNCT
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eurjchem-496	141	2	,	,	PUNCT
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eurjchem-496	141	4	;	;	PUNCT
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eurjchem-496	141	7	a.	a.	PROPN
eurjchem-496	141	8	w.	w.	PROPN
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eurjchem-496	141	12	s.	s.	PROPN
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eurjchem-496	141	15	o’brien	o’brien	PROPN
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eurjchem-496	141	17	j.	j.	PROPN
eurjchem-496	141	18	m.	m.	PROPN
eurjchem-496	141	19	org	org	PROPN
eurjchem-496	141	20	.	.	PUNCT
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eurjchem-496	142	2	.	.	PROPN
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eurjchem-496	142	4	,	,	PUNCT
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eurjchem-496	142	6	,	,	PUNCT
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eurjchem-496	142	8	.	.	PUNCT
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eurjchem-496	143	2	5	5	NUM
eurjchem-496	143	3	]	]	PUNCT
eurjchem-496	143	4	.	.	PUNCT
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eurjchem-496	144	2	,	,	PUNCT
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eurjchem-496	144	7	,	,	PUNCT
eurjchem-496	144	8	y.	y.	PROPN
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eurjchem-496	144	12	s.	s.	PROPN
eurjchem-496	144	13	p.	p.	PROPN
eurjchem-496	144	14	j.	j.	PROPN
eurjchem-496	144	15	org	org	PROPN
eurjchem-496	144	16	.	.	PUNCT
eurjchem-496	144	17	chem	chem	PROPN
eurjchem-496	144	18	.	.	PUNCT
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eurjchem-496	145	2	,	,	PUNCT
eurjchem-496	145	3	1	1	NUM
eurjchem-496	145	4	,	,	PUNCT
eurjchem-496	145	5	657‐659	657‐659	NOUN
eurjchem-496	145	6	.	.	PUNCT
eurjchem-496	146	1	[	[	X
eurjchem-496	146	2	6	6	NUM
eurjchem-496	146	3	]	]	PUNCT
eurjchem-496	146	4	.	.	PUNCT
eurjchem-496	146	5	comins	comin	NOUN
eurjchem-496	146	6	,	,	PUNCT
eurjchem-496	146	7	d.	d.	PROPN
eurjchem-496	146	8	l.	l.	PROPN
eurjchem-496	146	9	;	;	PUNCT
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eurjchem-496	146	11	,	,	PUNCT
eurjchem-496	146	12	j.	j.	PROPN
eurjchem-496	146	13	t.	t.	PROPN
eurjchem-496	146	14	;	;	PUNCT
eurjchem-496	146	15	hong	hong	PROPN
eurjchem-496	146	16	,	,	PUNCT
eurjchem-496	146	17	h.	h.	PROPN
eurjchem-496	146	18	;	;	PUNCT
eurjchem-496	146	19	lakner	lakner	NOUN
eurjchem-496	146	20	,	,	PUNCT
eurjchem-496	146	21	f.	f.	PROPN
eurjchem-496	146	22	j.	j.	PROPN
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eurjchem-496	146	25	.	.	PUNCT
eurjchem-496	147	1	chem	chem	PROPN
eurjchem-496	147	2	.	.	PUNCT
eurjchem-496	148	1	soc	soc	PROPN
eurjchem-496	148	2	.	.	PUNCT
eurjchem-496	149	1	1999	1999	NUM
eurjchem-496	149	2	,	,	PUNCT
eurjchem-496	149	3	121	121	NUM
eurjchem-496	149	4	,	,	PUNCT
eurjchem-496	149	5	2651‐2651	2651‐2651	NOUN
eurjchem-496	149	6	.	.	PUNCT
eurjchem-496	150	1	[	[	X
eurjchem-496	150	2	7	7	NUM
eurjchem-496	150	3	]	]	PUNCT
eurjchem-496	150	4	.	.	PUNCT
eurjchem-496	150	5	comins	comin	NOUN
eurjchem-496	150	6	,	,	PUNCT
eurjchem-496	150	7	d.	d.	PROPN
eurjchem-496	150	8	l.	l.	PROPN
eurjchem-496	150	9	;	;	PUNCT
eurjchem-496	150	10	ollinger	ollinger	PROPN
eurjchem-496	150	11	,	,	PUNCT
eurjchem-496	150	12	g.	g.	PROPN
eurjchem-496	150	13	c.	c.	PROPN
eurjchem-496	150	14	tetrahedron	tetrahedron	PROPN
eurjchem-496	150	15	lett	lett	PROPN
eurjchem-496	150	16	.	.	PUNCT
eurjchem-496	151	1	2001	2001	NUM
eurjchem-496	151	2	,	,	PUNCT
eurjchem-496	151	3	42	42	NUM
eurjchem-496	151	4	,	,	PUNCT
eurjchem-496	151	5	4115‐4118	4115‐4118	NUM
eurjchem-496	151	6	.	.	PUNCT
eurjchem-496	152	1	[	[	X
eurjchem-496	152	2	8	8	NUM
eurjchem-496	152	3	]	]	PUNCT
eurjchem-496	152	4	.	.	PUNCT
eurjchem-496	153	1	young	young	PROPN
eurjchem-496	153	2	,	,	PUNCT
eurjchem-496	153	3	d.	d.	PROPN
eurjchem-496	153	4	w.	w.	PROPN
eurjchem-496	153	5	;	;	PUNCT
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eurjchem-496	153	7	,	,	PUNCT
eurjchem-496	153	8	d.	d.	PROPN
eurjchem-496	153	9	l.	l.	PROPN
eurjchem-496	153	10	org	org	PROPN
eurjchem-496	153	11	.	.	PUNCT
eurjchem-496	154	1	lett	lett	PROPN
eurjchem-496	154	2	.	.	PUNCT
eurjchem-496	155	1	2005	2005	NUM
eurjchem-496	155	2	,	,	PUNCT
eurjchem-496	155	3	7	7	NUM
eurjchem-496	155	4	,	,	PUNCT
eurjchem-496	155	5	5661‐5664	5661‐5664	NUM
eurjchem-496	155	6	.	.	PUNCT
eurjchem-496	156	1	[	[	X
eurjchem-496	156	2	9	9	NUM
eurjchem-496	156	3	]	]	PUNCT
eurjchem-496	156	4	.	.	PUNCT
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eurjchem-496	157	2	,	,	PUNCT
eurjchem-496	157	3	w.	w.	PROPN
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eurjchem-496	157	5	;	;	PUNCT
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eurjchem-496	157	7	,	,	PUNCT
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eurjchem-496	157	10	;	;	PUNCT
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eurjchem-496	157	12	,	,	PUNCT
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eurjchem-496	157	15	j.	j.	PROPN
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eurjchem-496	157	17	.	.	PUNCT
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eurjchem-496	157	19	.	.	PUNCT
eurjchem-496	158	1	2008	2008	NUM
eurjchem-496	158	2	,	,	PUNCT
eurjchem-496	158	3	73	73	NUM
eurjchem-496	158	4	,	,	PUNCT
eurjchem-496	158	5	9744‐	9744‐	NUM
eurjchem-496	158	6	9751	9751	NUM
eurjchem-496	158	7	.	.	PUNCT
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eurjchem-496	159	2	10	10	NUM
eurjchem-496	159	3	]	]	PUNCT
eurjchem-496	159	4	.	.	PUNCT
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eurjchem-496	160	3	,	,	PUNCT
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eurjchem-496	160	10	j.	j.	PROPN
eurjchem-496	160	11	j.	j.	PROPN
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eurjchem-496	160	13	.	.	PUNCT
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eurjchem-496	161	2	,	,	PUNCT
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eurjchem-496	161	4	,	,	PUNCT
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eurjchem-496	161	6	.	.	PUNCT
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eurjchem-496	162	2	11	11	NUM
eurjchem-496	162	3	]	]	PUNCT
eurjchem-496	162	4	.	.	PUNCT
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eurjchem-496	162	6	,	,	PUNCT
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eurjchem-496	162	8	;	;	PUNCT
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eurjchem-496	162	14	,	,	PUNCT
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eurjchem-496	162	18	,	,	PUNCT
eurjchem-496	162	19	f.	f.	PROPN
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eurjchem-496	162	21	.	.	PUNCT
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eurjchem-496	163	2	.	.	PUNCT
eurjchem-496	164	1	2005	2005	NUM
eurjchem-496	164	2	,	,	PUNCT
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eurjchem-496	164	4	.	.	PUNCT
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eurjchem-496	165	3	]	]	PUNCT
eurjchem-496	165	4	.	.	PUNCT
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eurjchem-496	166	2	,	,	PUNCT
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eurjchem-496	166	5	;	;	PUNCT
eurjchem-496	166	6	saeed	saeed	PROPN
eurjchem-496	166	7	,	,	PUNCT
eurjchem-496	166	8	b.	b.	PROPN
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eurjchem-496	166	10	;	;	PUNCT
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eurjchem-496	166	12	,	,	PUNCT
eurjchem-496	166	13	k.	k.	PROPN
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eurjchem-496	166	15	;	;	PUNCT
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eurjchem-496	166	17	,	,	PUNCT
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eurjchem-496	166	24	,	,	PUNCT
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eurjchem-496	166	26	,	,	PUNCT
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eurjchem-496	166	28	.	.	PUNCT
eurjchem-496	167	1	[	[	X
eurjchem-496	167	2	13	13	NUM
eurjchem-496	167	3	]	]	PUNCT
eurjchem-496	167	4	.	.	PUNCT
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eurjchem-496	168	2	,	,	PUNCT
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eurjchem-496	168	7	,	,	PUNCT
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eurjchem-496	168	9	;	;	PUNCT
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eurjchem-496	168	28	,	,	PUNCT
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eurjchem-496	168	47	,	,	PUNCT
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eurjchem-496	169	3	]	]	SYM
eurjchem-496	169	4	.	.	PUNCT
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eurjchem-496	170	5	;	;	PUNCT
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eurjchem-496	170	17	a.	a.	PROPN
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eurjchem-496	170	21	,	,	PUNCT
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eurjchem-496	170	25	.	.	PROPN
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eurjchem-496	170	27	.	.	PUNCT
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eurjchem-496	171	2	,	,	PUNCT
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eurjchem-496	171	4	,	,	PUNCT
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eurjchem-496	171	6	.	.	PUNCT
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eurjchem-496	172	3	]	]	PUNCT
eurjchem-496	172	4	.	.	PUNCT
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eurjchem-496	173	2	,	,	PUNCT
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eurjchem-496	173	4	;	;	PUNCT
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eurjchem-496	174	2	,	,	PUNCT
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eurjchem-496	174	4	,	,	PUNCT
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eurjchem-496	174	6	.	.	PUNCT
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eurjchem-496	175	4	.	.	PUNCT
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eurjchem-496	176	19	.	.	PUNCT
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eurjchem-496	177	2	,	,	PUNCT
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eurjchem-496	177	4	,	,	PUNCT
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eurjchem-496	177	7	.	.	PUNCT
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eurjchem-496	178	2	17	17	NUM
eurjchem-496	178	3	]	]	PUNCT
eurjchem-496	178	4	.	.	PUNCT
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eurjchem-496	178	17	e.	e.	PROPN
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eurjchem-496	178	22	n.	n.	PROPN
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eurjchem-496	179	2	,	,	PUNCT
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eurjchem-496	179	4	,	,	PUNCT
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eurjchem-496	179	6	.	.	PUNCT
eurjchem-496	180	1	[	[	X
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eurjchem-496	180	3	]	]	PUNCT
eurjchem-496	180	4	.	.	PUNCT
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eurjchem-496	181	13	l.	l.	PROPN
eurjchem-496	181	14	;	;	PUNCT
eurjchem-496	181	15	edwanker	edwanker	PROPN
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eurjchem-496	181	20	edwanker	edwanker	PROPN
eurjchem-496	181	21	,	,	PUNCT
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eurjchem-496	181	24	j.	j.	PROPN
eurjchem-496	181	25	med	med	PROPN
eurjchem-496	181	26	.	.	PROPN
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eurjchem-496	181	28	.	.	PUNCT
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eurjchem-496	182	2	,	,	PUNCT
eurjchem-496	182	3	52	52	NUM
eurjchem-496	182	4	,	,	PUNCT
eurjchem-496	182	5	1795‐1798	1795‐1798	NUM
eurjchem-496	182	6	.	.	PUNCT
eurjchem-496	183	1	[	[	X
eurjchem-496	183	2	19	19	NUM
eurjchem-496	183	3	]	]	PUNCT
eurjchem-496	183	4	.	.	PUNCT
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eurjchem-496	184	2	,	,	PUNCT
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eurjchem-496	184	4	;	;	PUNCT
eurjchem-496	184	5	suarez	suarez	PROPN
eurjchem-496	184	6	,	,	PUNCT
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eurjchem-496	184	25	seoane	seoane	PROPN
eurjchem-496	184	26	,	,	PUNCT
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eurjchem-496	184	31	j.	j.	PROPN
eurjchem-496	184	32	l.	l.	PROPN
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eurjchem-496	184	35	.	.	PUNCT
eurjchem-496	185	1	chem	chem	PROPN
eurjchem-496	185	2	.	.	PUNCT
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eurjchem-496	186	2	,	,	PUNCT
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eurjchem-496	186	4	,	,	PUNCT
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eurjchem-496	186	6	.	.	PUNCT
eurjchem-496	187	1	[	[	X
eurjchem-496	187	2	20	20	NUM
eurjchem-496	187	3	]	]	PUNCT
eurjchem-496	187	4	.	.	PUNCT
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eurjchem-496	187	8	;	;	PUNCT
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eurjchem-496	189	2	.	.	PUNCT
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eurjchem-496	190	4	,	,	PUNCT
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eurjchem-496	190	6	,	,	PUNCT
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eurjchem-496	190	8	.	.	PUNCT
eurjchem-496	191	1	[	[	X
eurjchem-496	191	2	21	21	NUM
eurjchem-496	191	3	]	]	PUNCT
eurjchem-496	191	4	.	.	PUNCT
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eurjchem-496	192	4	,	,	PUNCT
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eurjchem-496	192	9	1	1	NUM
eurjchem-496	192	10	.	.	X
eurjchem-496	193	1	g	g	NOUN
eurjchem-496	193	2	,	,	PUNCT
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eurjchem-496	194	3	]	]	PUNCT
eurjchem-496	194	4	.	.	PUNCT
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eurjchem-496	195	2	,	,	PUNCT
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eurjchem-496	195	5	;	;	PUNCT
eurjchem-496	195	6	baldridge	baldridge	PROPN
eurjchem-496	195	7	,	,	PUNCT
eurjchem-496	195	8	k.	k.	PROPN
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eurjchem-496	195	10	;	;	PUNCT
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eurjchem-496	196	2	,	,	PUNCT
eurjchem-496	196	3	j.	j.	PROPN
eurjchem-496	196	4	a.	a.	PROPN
eurjchem-496	196	5	;	;	PUNCT
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eurjchem-496	196	7	,	,	PUNCT
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eurjchem-496	196	20	;	;	PUNCT
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eurjchem-496	196	22	,	,	PUNCT
eurjchem-496	196	23	s.	s.	PROPN
eurjchem-496	196	24	;	;	PUNCT
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eurjchem-496	196	26	,	,	PUNCT
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eurjchem-496	196	28	;	;	PUNCT
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eurjchem-496	196	30	,	,	PUNCT
eurjchem-496	196	31	k.	k.	PROPN
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eurjchem-496	197	2	.	.	PUNCT
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eurjchem-496	198	2	,	,	PUNCT
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eurjchem-496	198	4	,	,	PUNCT
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eurjchem-496	198	7	.	.	PUNCT
eurjchem-496	199	1	[	[	X
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eurjchem-496	199	3	]	]	PUNCT
eurjchem-496	199	4	.	.	PUNCT
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eurjchem-496	200	7	.	.	PUNCT
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eurjchem-496	201	2	.	.	PUNCT
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eurjchem-496	202	2	,	,	PUNCT
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eurjchem-496	202	4	,	,	PUNCT
eurjchem-496	202	5	8554‐8560	8554‐8560	NUM
eurjchem-496	202	6	.	.	PUNCT
eurjchem-496	203	1	[	[	X
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eurjchem-496	203	3	]	]	PUNCT
eurjchem-496	203	4	.	.	PUNCT
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eurjchem-496	204	2	,	,	PUNCT
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eurjchem-496	204	4	;	;	PUNCT
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eurjchem-496	204	6	,	,	PUNCT
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eurjchem-496	204	8	;	;	PUNCT
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eurjchem-496	205	2	.	.	PROPN
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eurjchem-496	206	4	.	.	PUNCT
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eurjchem-496	207	3	.	.	PUNCT
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eurjchem-496	208	2	.	.	PUNCT
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eurjchem-496	209	2	,	,	PUNCT
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eurjchem-496	209	4	,	,	PUNCT
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eurjchem-496	209	6	.	.	PUNCT
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eurjchem-496	210	3	]	]	PUNCT
eurjchem-496	210	4	.	.	PUNCT
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eurjchem-496	213	2	,	,	PUNCT
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eurjchem-496	213	4	,	,	PUNCT
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eurjchem-496	214	3	]	]	PUNCT
eurjchem-496	214	4	.	.	PUNCT
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eurjchem-496	217	2	,	,	PUNCT
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eurjchem-496	217	5	;	;	PUNCT
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eurjchem-496	217	17	y.	y.	PROPN
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eurjchem-496	217	21	,	,	PUNCT
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eurjchem-496	217	24	;	;	PUNCT
eurjchem-496	217	25	yu	yu	PROPN
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eurjchem-496	218	2	.	.	PUNCT
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eurjchem-496	219	2	,	,	PUNCT
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eurjchem-496	219	4	,	,	PUNCT
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eurjchem-496	220	3	]	]	PUNCT
eurjchem-496	220	4	.	.	PUNCT
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eurjchem-496	221	20	.	.	PUNCT
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eurjchem-496	222	2	.	.	PUNCT
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eurjchem-496	223	5	,	,	PUNCT
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eurjchem-496	223	7	.	.	PUNCT
eurjchem-496	224	1	[	[	X
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eurjchem-496	224	3	]	]	PUNCT
eurjchem-496	224	4	.	.	PUNCT
eurjchem-496	224	5	saeed	saeed	PROPN
eurjchem-496	224	6	,	,	PUNCT
eurjchem-496	224	7	b.	b.	PROPN
eurjchem-496	224	8	a.	a.	PROPN
eurjchem-496	224	9	;	;	PUNCT
eurjchem-496	224	10	saour	saour	PROPN
eurjchem-496	224	11	,	,	PUNCT
eurjchem-496	224	12	k.	k.	PROPN
eurjchem-496	224	13	y.	y.	PROPN
eurjchem-496	224	14	;	;	PUNCT
eurjchem-496	224	15	elias	elias	PROPN
eurjchem-496	224	16	,	,	PUNCT
eurjchem-496	224	17	r.	r.	PROPN
eurjchem-496	224	18	s.	s.	PROPN
eurjchem-496	224	19	;	;	PUNCT
eurjchem-496	224	20	xiaodi	xiaodi	PROPN
eurjchem-496	224	21	,	,	PUNCT
eurjchem-496	224	22	d.	d.	PROPN
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eurjchem-496	224	24	.	.	PUNCT
eurjchem-496	225	1	j.	j.	PROPN
eurjchem-496	225	2	appl	appl	PROPN
eurjchem-496	225	3	.	.	PUNCT
eurjchem-496	226	1	sci	sci	PROPN
eurjchem-496	226	2	.	.	PROPN
eurjchem-496	226	3	2010	2010	NUM
eurjchem-496	226	4	,	,	PUNCT
eurjchem-496	226	5	7	7	NUM
eurjchem-496	226	6	,	,	PUNCT
eurjchem-496	226	7	916‐	916‐	NUM
eurjchem-496	226	8	919	919	NUM
eurjchem-496	226	9	.	.	PUNCT