id	sid	tid	token	lemma	pos
eurjchem-1713	1	1	application	application	NOUN
eurjchem-1713	1	2	of	of	ADP
eurjchem-1713	1	3	hammett	hammett	PROPN
eurjchem-1713	1	4	equation	equation	NOUN
eurjchem-1713	1	5	to	to	ADP
eurjchem-1713	1	6	intramolecular	intramolecular	ADJ
eurjchem-1713	1	7	hydrogen	hydrogen	NOUN
eurjchem-1713	1	8	bond	bond	NOUN
eurjchem-1713	1	9	strength	strength	NOUN
eurjchem-1713	1	10	in	in	ADP
eurjchem-1713	1	11	para	para	NOUN
eurjchem-1713	1	12	-	-	PUNCT
eurjchem-1713	1	13	substituted	substitute	VERB
eurjchem-1713	1	14	phenyl	phenyl	NOUN
eurjchem-1713	1	15	ring	ring	NOUN
eurjchem-1713	1	16	of	of	ADP
eurjchem-1713	1	17	trifluorobenzoylacetone	trifluorobenzoylacetone	NOUN
eurjchem-1713	1	18	and	and	CCONJ
eurjchem-1713	1	19	1	1	NUM
eurjchem-1713	1	20	-	-	PUNCT
eurjchem-1713	1	21	aryl-1,3	aryl-1,3	ADJ
eurjchem-1713	1	22	-	-	PUNCT
eurjchem-1713	1	23	diketone	diketone	NOUN
eurjchem-1713	1	24	malonates	malonate	NOUN
eurjchem-1713	1	25	european	european	PROPN
eurjchem-1713	1	26	journal	journal	PROPN
eurjchem-1713	1	27	of	of	ADP
eurjchem-1713	1	28	chemistry	chemistry	NOUN
eurjchem-1713	1	29	9	9	NUM
eurjchem-1713	1	30	(	(	PUNCT
eurjchem-1713	1	31	3	3	NUM
eurjchem-1713	1	32	)	)	PUNCT
eurjchem-1713	1	33	(	(	PUNCT
eurjchem-1713	1	34	2018	2018	NUM
eurjchem-1713	1	35	)	)	PUNCT
eurjchem-1713	1	36	213	213	NUM
eurjchem-1713	1	37	-	-	SYM
eurjchem-1713	1	38	221	221	NUM
eurjchem-1713	1	39	european	european	ADJ
eurjchem-1713	1	40	journal	journal	NOUN
eurjchem-1713	1	41	of	of	ADP
eurjchem-1713	1	42	chemistry	chemistry	NOUN
eurjchem-1713	1	43	view	view	NOUN
eurjchem-1713	1	44	journal	journal	PROPN
eurjchem-1713	1	45	online	online	PROPN
eurjchem-1713	1	46	view	view	NOUN
eurjchem-1713	1	47	article	article	NOUN
eurjchem-1713	1	48	online	online	ADJ
eurjchem-1713	1	49	application	application	NOUN
eurjchem-1713	1	50	of	of	ADP
eurjchem-1713	1	51	hammett	hammett	PROPN
eurjchem-1713	1	52	equation	equation	NOUN
eurjchem-1713	1	53	to	to	ADP
eurjchem-1713	1	54	intramolecular	intramolecular	ADJ
eurjchem-1713	1	55	hydrogen	hydrogen	NOUN
eurjchem-1713	1	56	bond	bond	NOUN
eurjchem-1713	1	57	strength	strength	NOUN
eurjchem-1713	1	58	in	in	ADP
eurjchem-1713	1	59	para	para	NOUN
eurjchem-1713	1	60	-	-	PUNCT
eurjchem-1713	1	61	substituted	substitute	VERB
eurjchem-1713	1	62	phenyl	phenyl	NOUN
eurjchem-1713	1	63	ring	ring	NOUN
eurjchem-1713	1	64	of	of	ADP
eurjchem-1713	1	65	trifluorobenzoylacetone	trifluorobenzoylacetone	NOUN
eurjchem-1713	1	66	and	and	CCONJ
eurjchem-1713	1	67	1	1	NUM
eurjchem-1713	1	68	-	-	PUNCT
eurjchem-1713	1	69	aryl-1,3diketone	aryl-1,3diketone	NOUN
eurjchem-1713	1	70	malonates	malonate	NOUN
eurjchem-1713	1	71	vahidreza	vahidreza	ADP
eurjchem-1713	1	72	darugar	darugar	NOUN
eurjchem-1713	1	73	1	1	NUM
eurjchem-1713	1	74	,	,	PUNCT
eurjchem-1713	1	75	*	*	PUNCT
eurjchem-1713	1	76	,	,	PUNCT
eurjchem-1713	1	77	mohammad	mohammad	PROPN
eurjchem-1713	1	78	vakili	vakili	PROPN
eurjchem-1713	1	79	1	1	NUM
eurjchem-1713	1	80	,	,	PUNCT
eurjchem-1713	1	81	*	*	PUNCT
eurjchem-1713	1	82	,	,	PUNCT
eurjchem-1713	1	83	sayyed	sayyed	PROPN
eurjchem-1713	1	84	faramarz	faramarz	PROPN
eurjchem-1713	1	85	tayyari	tayyari	PROPN
eurjchem-1713	1	86	1	1	NUM
eurjchem-1713	1	87	,	,	PUNCT
eurjchem-1713	1	88	fadhil	fadhil	NOUN
eurjchem-1713	1	89	suleiman	suleiman	PROPN
eurjchem-1713	1	90	kamounah	kamounah	PROPN
eurjchem-1713	1	91	2	2	NUM
eurjchem-1713	1	92	and	and	CCONJ
eurjchem-1713	1	93	raheleh	raheleh	NOUN
eurjchem-1713	1	94	afzali	afzali	ADJ
eurjchem-1713	1	95	1	1	NUM
eurjchem-1713	1	96	1	1	NUM
eurjchem-1713	1	97	department	department	NOUN
eurjchem-1713	1	98	of	of	ADP
eurjchem-1713	1	99	chemistry	chemistry	NOUN
eurjchem-1713	1	100	,	,	PUNCT
eurjchem-1713	1	101	faculty	faculty	NOUN
eurjchem-1713	1	102	of	of	ADP
eurjchem-1713	1	103	science	science	NOUN
eurjchem-1713	1	104	,	,	PUNCT
eurjchem-1713	1	105	ferdowsi	ferdowsi	NOUN
eurjchem-1713	1	106	university	university	PROPN
eurjchem-1713	1	107	of	of	ADP
eurjchem-1713	1	108	mashhad	mashhad	PROPN
eurjchem-1713	1	109	,	,	PUNCT
eurjchem-1713	1	110	mashhad	mashhad	PROPN
eurjchem-1713	1	111	91775	91775	NUM
eurjchem-1713	1	112	-	-	SYM
eurjchem-1713	1	113	1436	1436	NUM
eurjchem-1713	1	114	,	,	PUNCT
eurjchem-1713	1	115	iran	iran	PROPN
eurjchem-1713	1	116	vahidrezadarugar@mail.um.ac.ir	vahidrezadarugar@mail.um.ac.ir	NUM
eurjchem-1713	1	117	(	(	PUNCT
eurjchem-1713	1	118	v.d	v.d	PROPN
eurjchem-1713	1	119	.	.	PROPN
eurjchem-1713	1	120	)	)	PUNCT
eurjchem-1713	1	121	,	,	PUNCT
eurjchem-1713	1	122	vakili-m@um.ac.ir	vakili-m@um.ac.ir	ADP
eurjchem-1713	1	123	(	(	PUNCT
eurjchem-1713	1	124	m.v	m.v	PROPN
eurjchem-1713	1	125	.	.	PROPN
eurjchem-1713	1	126	)	)	PUNCT
eurjchem-1713	1	127	,	,	PUNCT
eurjchem-1713	1	128	sftayyari@yahoo.com	sftayyari@yahoo.com	X
eurjchem-1713	1	129	(	(	PUNCT
eurjchem-1713	1	130	s.f.t	s.f.t	PROPN
eurjchem-1713	1	131	.	.	PUNCT
eurjchem-1713	1	132	)	)	PUNCT
eurjchem-1713	1	133	,	,	PUNCT
eurjchem-1713	1	134	afzalimona@yahoo.com	afzalimona@yahoo.com	X
eurjchem-1713	1	135	(	(	PUNCT
eurjchem-1713	1	136	r.a	r.a	PROPN
eurjchem-1713	1	137	.	.	PROPN
eurjchem-1713	1	138	)	)	PUNCT
eurjchem-1713	1	139	2	2	NUM
eurjchem-1713	1	140	department	department	NOUN
eurjchem-1713	1	141	of	of	ADP
eurjchem-1713	1	142	chemistry	chemistry	NOUN
eurjchem-1713	1	143	,	,	PUNCT
eurjchem-1713	1	144	university	university	PROPN
eurjchem-1713	1	145	of	of	ADP
eurjchem-1713	1	146	copenhagen	copenhagen	PROPN
eurjchem-1713	1	147	,	,	PUNCT
eurjchem-1713	1	148	universitetsparken	universitetsparken	ADJ
eurjchem-1713	1	149	5	5	NUM
eurjchem-1713	1	150	,	,	PUNCT
eurjchem-1713	1	151	dk-2100	dk-2100	PROPN
eurjchem-1713	1	152	,	,	PUNCT
eurjchem-1713	1	153	copenhagen	copenhagen	PROPN
eurjchem-1713	1	154	,	,	PUNCT
eurjchem-1713	1	155	denmark	denmark	PROPN
eurjchem-1713	1	156	fadil@chem.ku.dk	fadil@chem.ku.dk	NOUN
eurjchem-1713	1	157	(	(	PUNCT
eurjchem-1713	1	158	f.s.k	f.s.k	NOUN
eurjchem-1713	1	159	.	.	PUNCT
eurjchem-1713	1	160	)	)	PUNCT
eurjchem-1713	2	1	*	*	PUNCT
eurjchem-1713	2	2	corresponding	correspond	VERB
eurjchem-1713	2	3	author	author	NOUN
eurjchem-1713	2	4	at	at	ADP
eurjchem-1713	2	5	:	:	PUNCT
eurjchem-1713	2	6	department	department	NOUN
eurjchem-1713	2	7	of	of	ADP
eurjchem-1713	2	8	chemistry	chemistry	NOUN
eurjchem-1713	2	9	,	,	PUNCT
eurjchem-1713	2	10	faculty	faculty	NOUN
eurjchem-1713	2	11	of	of	ADP
eurjchem-1713	2	12	science	science	NOUN
eurjchem-1713	2	13	,	,	PUNCT
eurjchem-1713	2	14	ferdowsi	ferdowsi	NOUN
eurjchem-1713	2	15	university	university	PROPN
eurjchem-1713	2	16	of	of	ADP
eurjchem-1713	2	17	mashhad	mashhad	PROPN
eurjchem-1713	2	18	,	,	PUNCT
eurjchem-1713	2	19	mashhad	mashhad	PROPN
eurjchem-1713	2	20	91775	91775	NUM
eurjchem-1713	2	21	-	-	SYM
eurjchem-1713	2	22	1436	1436	NUM
eurjchem-1713	2	23	,	,	PUNCT
eurjchem-1713	2	24	iran	iran	PROPN
eurjchem-1713	2	25	.	.	PUNCT
eurjchem-1713	3	1	tel	tel	ADP
eurjchem-1713	3	2	:	:	PUNCT
eurjchem-1713	3	3	+98.051.38805551	+98.051.38805551	NUM
eurjchem-1713	3	4	fax	fax	NOUN
eurjchem-1713	3	5	:	:	PUNCT
eurjchem-1713	3	6	+98.051.38796416	+98.051.38796416	NUM
eurjchem-1713	3	7	e	e	NOUN
eurjchem-1713	3	8	-	-	NOUN
eurjchem-1713	3	9	mail	mail	NOUN
eurjchem-1713	3	10	:	:	PUNCT
eurjchem-1713	3	11	vakili-m@um.ac.ir	vakili-m@um.ac.ir	ADP
eurjchem-1713	3	12	(	(	PUNCT
eurjchem-1713	3	13	m.	m.	NOUN
eurjchem-1713	3	14	vakili	vakili	PROPN
eurjchem-1713	3	15	)	)	PUNCT
eurjchem-1713	3	16	,	,	PUNCT
eurjchem-1713	3	17	vahidrezadarugar@mail.um.ac.ir	vahidrezadarugar@mail.um.ac.ir	PROPN
eurjchem-1713	3	18	(	(	PUNCT
eurjchem-1713	3	19	v.	v.	ADP
eurjchem-1713	3	20	darugar	darugar	NOUN
eurjchem-1713	3	21	)	)	PUNCT
eurjchem-1713	3	22	.	.	PUNCT
eurjchem-1713	4	1	10.5155	10.5155	NUM
eurjchem-1713	4	2	/	/	SYM
eurjchem-1713	4	3	eurjchem.9.3.213	eurjchem.9.3.213	PROPN
eurjchem-1713	4	4	-	-	SYM
eurjchem-1713	4	5	221.1713	221.1713	NUM
eurjchem-1713	4	6	received	receive	VERB
eurjchem-1713	4	7	:	:	PUNCT
eurjchem-1713	4	8	13	13	NUM
eurjchem-1713	4	9	april	april	PROPN
eurjchem-1713	4	10	2018	2018	NUM
eurjchem-1713	4	11	received	receive	VERB
eurjchem-1713	4	12	in	in	ADP
eurjchem-1713	4	13	revised	revise	VERB
eurjchem-1713	4	14	form	form	NOUN
eurjchem-1713	4	15	:	:	PUNCT
eurjchem-1713	4	16	29	29	NUM
eurjchem-1713	4	17	may	may	AUX
eurjchem-1713	4	18	2018	2018	NUM
eurjchem-1713	4	19	accepted	accept	VERB
eurjchem-1713	4	20	:	:	PUNCT
eurjchem-1713	4	21	02	02	NUM
eurjchem-1713	4	22	june	june	PROPN
eurjchem-1713	4	23	2018	2018	NUM
eurjchem-1713	4	24	published	publish	VERB
eurjchem-1713	4	25	online	online	ADV
eurjchem-1713	4	26	:	:	PUNCT
eurjchem-1713	4	27	30	30	NUM
eurjchem-1713	4	28	september	september	PROPN
eurjchem-1713	4	29	2018	2018	NUM
eurjchem-1713	4	30	printed	print	VERB
eurjchem-1713	4	31	:	:	PUNCT
eurjchem-1713	4	32	30	30	NUM
eurjchem-1713	4	33	september	september	PROPN
eurjchem-1713	4	34	2018	2018	NUM
eurjchem-1713	4	35	the	the	DET
eurjchem-1713	4	36	stability	stability	NOUN
eurjchem-1713	4	37	of	of	ADP
eurjchem-1713	4	38	two	two	NUM
eurjchem-1713	4	39	stable	stable	ADJ
eurjchem-1713	4	40	cis	cis	NOUN
eurjchem-1713	4	41	-	-	PUNCT
eurjchem-1713	4	42	enol	enol	NOUN
eurjchem-1713	4	43	forms	form	NOUN
eurjchem-1713	4	44	in	in	ADP
eurjchem-1713	4	45	two	two	NUM
eurjchem-1713	4	46	categories	category	NOUN
eurjchem-1713	4	47	of	of	ADP
eurjchem-1713	4	48	β	β	NOUN
eurjchem-1713	4	49	-	-	NOUN
eurjchem-1713	4	50	diketones	diketone	NOUN
eurjchem-1713	4	51	,	,	PUNCT
eurjchem-1713	4	52	including	include	VERB
eurjchem-1713	4	53	parasubstituted	parasubstitute	VERB
eurjchem-1713	4	54	of	of	ADP
eurjchem-1713	4	55	trifluorobenzoylacetone	trifluorobenzoylacetone	NOUN
eurjchem-1713	4	56	(	(	PUNCT
eurjchem-1713	4	57	x	x	NOUN
eurjchem-1713	4	58	-	-	PUNCT
eurjchem-1713	4	59	tfba	tfba	ADJ
eurjchem-1713	4	60	)	)	PUNCT
eurjchem-1713	4	61	and	and	CCONJ
eurjchem-1713	4	62	1	1	NUM
eurjchem-1713	4	63	-	-	PUNCT
eurjchem-1713	4	64	aryl-1,3	aryl-1,3	ADJ
eurjchem-1713	4	65	-	-	PUNCT
eurjchem-1713	4	66	diketone	diketone	NOUN
eurjchem-1713	4	67	malonates	malonate	NOUN
eurjchem-1713	4	68	(	(	PUNCT
eurjchem-1713	4	69	x	x	NOUN
eurjchem-1713	4	70	-	-	PUNCT
eurjchem-1713	4	71	adm	adm	PROPN
eurjchem-1713	4	72	,	,	PUNCT
eurjchem-1713	4	73	x	x	NOUN
eurjchem-1713	4	74	:	:	PUNCT
eurjchem-1713	4	75	h	h	NOUN
eurjchem-1713	4	76	,	,	PUNCT
eurjchem-1713	4	77	no2	no2	NOUN
eurjchem-1713	4	78	,	,	PUNCT
eurjchem-1713	4	79	och3	och3	ADJ
eurjchem-1713	4	80	,	,	PUNCT
eurjchem-1713	4	81	ch3	ch3	PROPN
eurjchem-1713	4	82	,	,	PUNCT
eurjchem-1713	4	83	oh	oh	INTJ
eurjchem-1713	4	84	,	,	PUNCT
eurjchem-1713	4	85	cf3	cf3	PROPN
eurjchem-1713	4	86	,	,	PUNCT
eurjchem-1713	4	87	f	f	PROPN
eurjchem-1713	4	88	,	,	PUNCT
eurjchem-1713	4	89	cl	cl	NOUN
eurjchem-1713	4	90	,	,	PUNCT
eurjchem-1713	4	91	and	and	CCONJ
eurjchem-1713	4	92	nh2	nh2	PROPN
eurjchem-1713	4	93	)	)	PUNCT
eurjchem-1713	4	94	has	have	AUX
eurjchem-1713	4	95	been	be	AUX
eurjchem-1713	4	96	obtained	obtain	VERB
eurjchem-1713	4	97	by	by	ADP
eurjchem-1713	4	98	different	different	ADJ
eurjchem-1713	4	99	theoretical	theoretical	ADJ
eurjchem-1713	4	100	methods	method	NOUN
eurjchem-1713	4	101	.	.	PUNCT
eurjchem-1713	5	1	according	accord	VERB
eurjchem-1713	5	2	to	to	ADP
eurjchem-1713	5	3	our	our	PRON
eurjchem-1713	5	4	results	result	NOUN
eurjchem-1713	5	5	,	,	PUNCT
eurjchem-1713	5	6	the	the	DET
eurjchem-1713	5	7	energy	energy	NOUN
eurjchem-1713	5	8	difference	difference	NOUN
eurjchem-1713	5	9	between	between	ADP
eurjchem-1713	5	10	the	the	DET
eurjchem-1713	5	11	mentioned	mention	VERB
eurjchem-1713	5	12	stable	stable	ADJ
eurjchem-1713	5	13	chelated	chelated	ADJ
eurjchem-1713	5	14	enol	enol	NOUN
eurjchem-1713	5	15	forms	form	NOUN
eurjchem-1713	5	16	for	for	ADP
eurjchem-1713	5	17	the	the	DET
eurjchem-1713	5	18	titled	title	VERB
eurjchem-1713	5	19	compounds	compound	NOUN
eurjchem-1713	5	20	is	be	AUX
eurjchem-1713	5	21	negligible	negligible	ADJ
eurjchem-1713	5	22	.	.	PUNCT
eurjchem-1713	6	1	the	the	DET
eurjchem-1713	6	2	theoretical	theoretical	ADJ
eurjchem-1713	6	3	equilibrium	equilibrium	NOUN
eurjchem-1713	6	4	constants	constant	NOUN
eurjchem-1713	6	5	between	between	ADP
eurjchem-1713	6	6	the	the	DET
eurjchem-1713	6	7	two	two	NUM
eurjchem-1713	6	8	stable	stable	ADJ
eurjchem-1713	6	9	cis	cis	NOUN
eurjchem-1713	6	10	-	-	PUNCT
eurjchem-1713	6	11	enol	enol	NOUN
eurjchem-1713	6	12	of	of	ADP
eurjchem-1713	6	13	the	the	DET
eurjchem-1713	6	14	mentioned	mention	VERB
eurjchem-1713	6	15	molecules	molecule	NOUN
eurjchem-1713	6	16	are	be	AUX
eurjchem-1713	6	17	in	in	ADP
eurjchem-1713	6	18	excellent	excellent	ADJ
eurjchem-1713	6	19	agreement	agreement	NOUN
eurjchem-1713	6	20	with	with	ADP
eurjchem-1713	6	21	the	the	DET
eurjchem-1713	6	22	reported	report	VERB
eurjchem-1713	6	23	experimental	experimental	ADJ
eurjchem-1713	6	24	equilibrium	equilibrium	NOUN
eurjchem-1713	6	25	constant	constant	ADJ
eurjchem-1713	6	26	.	.	PUNCT
eurjchem-1713	7	1	in	in	ADP
eurjchem-1713	7	2	addition	addition	NOUN
eurjchem-1713	7	3	,	,	PUNCT
eurjchem-1713	7	4	the	the	DET
eurjchem-1713	7	5	effect	effect	NOUN
eurjchem-1713	7	6	of	of	ADP
eurjchem-1713	7	7	different	different	ADJ
eurjchem-1713	7	8	substitutions	substitution	NOUN
eurjchem-1713	7	9	on	on	ADP
eurjchem-1713	7	10	the	the	DET
eurjchem-1713	7	11	intramolecular	intramolecular	ADJ
eurjchem-1713	7	12	hydrogen	hydrogen	NOUN
eurjchem-1713	7	13	bond	bond	NOUN
eurjchem-1713	7	14	strength	strength	NOUN
eurjchem-1713	7	15	has	have	AUX
eurjchem-1713	7	16	been	be	AUX
eurjchem-1713	7	17	evaluated	evaluate	VERB
eurjchem-1713	7	18	.	.	PUNCT
eurjchem-1713	8	1	the	the	DET
eurjchem-1713	8	2	correlation	correlation	NOUN
eurjchem-1713	8	3	between	between	ADP
eurjchem-1713	8	4	hammett	hammett	PROPN
eurjchem-1713	8	5	para	para	PROPN
eurjchem-1713	8	6	-	-	PUNCT
eurjchem-1713	8	7	substituent	substituent	NOUN
eurjchem-1713	8	8	constants	constant	NOUN
eurjchem-1713	8	9	,	,	PUNCT
eurjchem-1713	8	10	σp	σp	PROPN
eurjchem-1713	8	11	.	.	PUNCT
eurjchem-1713	8	12	with	with	ADP
eurjchem-1713	8	13	the	the	DET
eurjchem-1713	8	14	theoretical	theoretical	ADJ
eurjchem-1713	8	15	and	and	CCONJ
eurjchem-1713	8	16	experimental	experimental	ADJ
eurjchem-1713	8	17	parameters	parameter	NOUN
eurjchem-1713	8	18	related	relate	VERB
eurjchem-1713	8	19	to	to	ADP
eurjchem-1713	8	20	the	the	DET
eurjchem-1713	8	21	strength	strength	NOUN
eurjchem-1713	8	22	of	of	ADP
eurjchem-1713	8	23	hydrogen	hydrogen	NOUN
eurjchem-1713	8	24	bond	bond	NOUN
eurjchem-1713	8	25	in	in	ADP
eurjchem-1713	8	26	p	p	PROPN
eurjchem-1713	8	27	-	-	PUNCT
eurjchem-1713	8	28	x	x	NOUN
eurjchem-1713	8	29	-	-	PUNCT
eurjchem-1713	8	30	tfba	tfba	ADJ
eurjchem-1713	8	31	and	and	CCONJ
eurjchem-1713	8	32	p	p	ADJ
eurjchem-1713	8	33	-	-	PUNCT
eurjchem-1713	8	34	xadm	xadm	NOUN
eurjchem-1713	8	35	molecules	molecule	NOUN
eurjchem-1713	8	36	also	also	ADV
eurjchem-1713	8	37	investigated	investigate	VERB
eurjchem-1713	8	38	by	by	ADP
eurjchem-1713	8	39	means	mean	NOUN
eurjchem-1713	8	40	of	of	ADP
eurjchem-1713	8	41	density	density	NOUN
eurjchem-1713	8	42	functional	functional	ADJ
eurjchem-1713	8	43	theory	theory	NOUN
eurjchem-1713	8	44	calculations	calculation	NOUN
eurjchem-1713	8	45	.	.	PUNCT
eurjchem-1713	9	1	the	the	DET
eurjchem-1713	9	2	electronic	electronic	ADJ
eurjchem-1713	9	3	effects	effect	NOUN
eurjchem-1713	9	4	of	of	ADP
eurjchem-1713	9	5	para	para	NOUN
eurjchem-1713	9	6	-	-	PUNCT
eurjchem-1713	9	7	substitutions	substitution	NOUN
eurjchem-1713	9	8	on	on	ADP
eurjchem-1713	9	9	the	the	DET
eurjchem-1713	9	10	intramolecular	intramolecular	ADJ
eurjchem-1713	9	11	hydrogen	hydrogen	NOUN
eurjchem-1713	9	12	bond	bond	NOUN
eurjchem-1713	9	13	strength	strength	NOUN
eurjchem-1713	9	14	were	be	AUX
eurjchem-1713	9	15	determined	determine	VERB
eurjchem-1713	9	16	by	by	ADP
eurjchem-1713	9	17	nmr	nmr	NOUN
eurjchem-1713	9	18	and	and	CCONJ
eurjchem-1713	9	19	ir	ir	PROPN
eurjchem-1713	9	20	data	datum	NOUN
eurjchem-1713	9	21	related	relate	VERB
eurjchem-1713	9	22	to	to	ADP
eurjchem-1713	9	23	intramolecular	intramolecular	ADJ
eurjchem-1713	9	24	hydrogen	hydrogen	NOUN
eurjchem-1713	9	25	bond	bond	NOUN
eurjchem-1713	9	26	strength	strength	NOUN
eurjchem-1713	9	27	,	,	PUNCT
eurjchem-1713	9	28	geometry	geometry	NOUN
eurjchem-1713	9	29	,	,	PUNCT
eurjchem-1713	9	30	natural	natural	ADJ
eurjchem-1713	9	31	bond	bond	NOUN
eurjchem-1713	9	32	orbital	orbital	ADJ
eurjchem-1713	9	33	results	result	NOUN
eurjchem-1713	9	34	,	,	PUNCT
eurjchem-1713	9	35	and	and	CCONJ
eurjchem-1713	9	36	topological	topological	ADJ
eurjchem-1713	9	37	parameters	parameter	NOUN
eurjchem-1713	9	38	.	.	PUNCT
eurjchem-1713	10	1	these	these	DET
eurjchem-1713	10	2	parameters	parameter	NOUN
eurjchem-1713	10	3	were	be	AUX
eurjchem-1713	10	4	correlated	correlate	VERB
eurjchem-1713	10	5	with	with	ADP
eurjchem-1713	10	6	the	the	DET
eurjchem-1713	10	7	hammett	hammett	PROPN
eurjchem-1713	10	8	para	para	PROPN
eurjchem-1713	10	9	-	-	PUNCT
eurjchem-1713	10	10	substituent	substituent	NOUN
eurjchem-1713	10	11	constants	constant	NOUN
eurjchem-1713	10	12	,	,	PUNCT
eurjchem-1713	10	13	σp	σp	PROPN
eurjchem-1713	10	14	.	.	PUNCT
eurjchem-1713	10	15	good	good	ADJ
eurjchem-1713	10	16	linear	linear	PROPN
eurjchem-1713	10	17	correlations	correlation	NOUN
eurjchem-1713	10	18	between	between	ADP
eurjchem-1713	10	19	σp	σp	NOUN
eurjchem-1713	10	20	and	and	CCONJ
eurjchem-1713	10	21	the	the	DET
eurjchem-1713	10	22	several	several	ADJ
eurjchem-1713	10	23	parameters	parameter	NOUN
eurjchem-1713	10	24	related	relate	VERB
eurjchem-1713	10	25	to	to	ADP
eurjchem-1713	10	26	the	the	DET
eurjchem-1713	10	27	hydrogen	hydrogen	NOUN
eurjchem-1713	10	28	bond	bond	NOUN
eurjchem-1713	10	29	strength	strength	NOUN
eurjchem-1713	10	30	,	,	PUNCT
eurjchem-1713	10	31	in	in	ADP
eurjchem-1713	10	32	this	this	DET
eurjchem-1713	10	33	study	study	NOUN
eurjchem-1713	10	34	were	be	AUX
eurjchem-1713	10	35	obtained	obtain	VERB
eurjchem-1713	10	36	.	.	PUNCT
eurjchem-1713	11	1	aim	aim	PROPN
eurjchem-1713	11	2	dft	dft	PROPN
eurjchem-1713	11	3	nbo	nbo	PROPN
eurjchem-1713	11	4	hammett	hammett	PROPN
eurjchem-1713	11	5	lfer	lfer	PROPN
eurjchem-1713	11	6	substituent	substituent	NOUN
eurjchem-1713	11	7	effect	effect	NOUN
eurjchem-1713	11	8	intramolecular	intramolecular	ADJ
eurjchem-1713	11	9	hydrogen	hydrogen	NOUN
eurjchem-1713	11	10	bond	bond	NOUN
eurjchem-1713	11	11	cite	cite	VERB
eurjchem-1713	11	12	this	this	PRON
eurjchem-1713	11	13	:	:	PUNCT
eurjchem-1713	11	14	eur	eur	PROPN
eurjchem-1713	11	15	.	.	PUNCT
eurjchem-1713	12	1	j.	j.	PROPN
eurjchem-1713	12	2	chem	chem	PROPN
eurjchem-1713	12	3	.	.	PUNCT
eurjchem-1713	13	1	2018	2018	NUM
eurjchem-1713	13	2	,	,	PUNCT
eurjchem-1713	13	3	9(3	9(3	NUM
eurjchem-1713	13	4	)	)	PUNCT
eurjchem-1713	13	5	,	,	PUNCT
eurjchem-1713	13	6	213	213	NUM
eurjchem-1713	13	7	-	-	SYM
eurjchem-1713	13	8	221	221	NUM
eurjchem-1713	13	9	journal	journal	NOUN
eurjchem-1713	13	10	website	website	NOUN
eurjchem-1713	13	11	:	:	PUNCT
eurjchem-1713	13	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-1713	13	13	1	1	X
eurjchem-1713	13	14	.	.	X
eurjchem-1713	13	15	introduction	introduction	NOUN
eurjchem-1713	13	16	a	a	DET
eurjchem-1713	13	17	hydrogen	hydrogen	NOUN
eurjchem-1713	13	18	bond	bond	NOUN
eurjchem-1713	13	19	is	be	AUX
eurjchem-1713	13	20	an	an	DET
eurjchem-1713	13	21	associative	associative	ADJ
eurjchem-1713	13	22	interaction	interaction	NOUN
eurjchem-1713	13	23	between	between	ADP
eurjchem-1713	13	24	molecules	molecule	NOUN
eurjchem-1713	13	25	containing	contain	VERB
eurjchem-1713	13	26	a	a	DET
eurjchem-1713	13	27	polar	polar	ADJ
eurjchem-1713	13	28	h	h	NOUN
eurjchem-1713	13	29	-	-	PUNCT
eurjchem-1713	13	30	a	a	DET
eurjchem-1713	13	31	bond	bond	NOUN
eurjchem-1713	13	32	and	and	CCONJ
eurjchem-1713	13	33	an	an	DET
eurjchem-1713	13	34	electron	electron	NOUN
eurjchem-1713	13	35	donor	donor	NOUN
eurjchem-1713	13	36	b.	b.	PROPN
eurjchem-1713	13	37	a	a	PROPN
eurjchem-1713	13	38	and	and	CCONJ
eurjchem-1713	13	39	b	b	NOUN
eurjchem-1713	13	40	are	be	AUX
eurjchem-1713	13	41	atoms	atom	NOUN
eurjchem-1713	13	42	with	with	ADP
eurjchem-1713	13	43	greater	great	ADJ
eurjchem-1713	13	44	electronegativity	electronegativity	NOUN
eurjchem-1713	13	45	than	than	ADP
eurjchem-1713	13	46	hydrogen	hydrogen	NOUN
eurjchem-1713	13	47	and	and	CCONJ
eurjchem-1713	13	48	if	if	SCONJ
eurjchem-1713	13	49	a	a	PRON
eurjchem-1713	13	50	and	and	CCONJ
eurjchem-1713	13	51	b	b	NOUN
eurjchem-1713	13	52	belong	belong	VERB
eurjchem-1713	13	53	to	to	ADP
eurjchem-1713	13	54	the	the	DET
eurjchem-1713	13	55	same	same	ADJ
eurjchem-1713	13	56	molecule	molecule	NOUN
eurjchem-1713	13	57	intramolecular	intramolecular	ADJ
eurjchem-1713	13	58	hydrogen	hydrogen	NOUN
eurjchem-1713	13	59	bonding	bonding	NOUN
eurjchem-1713	13	60	the	the	DET
eurjchem-1713	13	61	intramolecular	intramolecular	ADJ
eurjchem-1713	13	62	hydrogen	hydrogen	NOUN
eurjchem-1713	13	63	bond	bond	NOUN
eurjchem-1713	13	64	(	(	PUNCT
eurjchem-1713	13	65	ihb	ihb	NOUN
eurjchem-1713	13	66	)	)	PUNCT
eurjchem-1713	13	67	occurs	occur	VERB
eurjchem-1713	13	68	if	if	SCONJ
eurjchem-1713	13	69	the	the	DET
eurjchem-1713	13	70	spatial	spatial	ADJ
eurjchem-1713	13	71	configuration	configuration	NOUN
eurjchem-1713	13	72	is	be	AUX
eurjchem-1713	13	73	favorable	favorable	ADJ
eurjchem-1713	13	74	.	.	PUNCT
eurjchem-1713	14	1	in	in	ADP
eurjchem-1713	14	2	1919	1919	NUM
eurjchem-1713	14	3	,	,	PUNCT
eurjchem-1713	14	4	the	the	DET
eurjchem-1713	14	5	concept	concept	NOUN
eurjchem-1713	14	6	of	of	ADP
eurjchem-1713	14	7	hydrogen	hydrogen	NOUN
eurjchem-1713	14	8	bond	bond	NOUN
eurjchem-1713	14	9	had	have	AUX
eurjchem-1713	14	10	been	be	AUX
eurjchem-1713	14	11	proposed	propose	VERB
eurjchem-1713	14	12	by	by	ADP
eurjchem-1713	14	13	huggins	huggins	PROPN
eurjchem-1713	14	14	[	[	X
eurjchem-1713	14	15	1	1	NUM
eurjchem-1713	14	16	]	]	PUNCT
eurjchem-1713	14	17	.	.	PUNCT
eurjchem-1713	15	1	after	after	ADP
eurjchem-1713	15	2	that	that	PRON
eurjchem-1713	15	3	,	,	PUNCT
eurjchem-1713	15	4	the	the	DET
eurjchem-1713	15	5	properties	property	NOUN
eurjchem-1713	15	6	of	of	ADP
eurjchem-1713	15	7	intramolecular	intramolecular	ADJ
eurjchem-1713	15	8	and	and	CCONJ
eurjchem-1713	15	9	intermolecular	intermolecular	ADJ
eurjchem-1713	15	10	hydrogen	hydrogen	NOUN
eurjchem-1713	15	11	bonded	bond	VERB
eurjchem-1713	15	12	systems	system	NOUN
eurjchem-1713	15	13	have	have	AUX
eurjchem-1713	15	14	been	be	AUX
eurjchem-1713	15	15	studied	study	VERB
eurjchem-1713	15	16	theoretically	theoretically	ADV
eurjchem-1713	15	17	and	and	CCONJ
eurjchem-1713	15	18	experimentally	experimentally	ADV
eurjchem-1713	15	19	by	by	ADP
eurjchem-1713	15	20	several	several	ADJ
eurjchem-1713	15	21	workers	worker	NOUN
eurjchem-1713	15	22	[	[	X
eurjchem-1713	15	23	2	2	NUM
eurjchem-1713	15	24	-	-	SYM
eurjchem-1713	15	25	6	6	NUM
eurjchem-1713	15	26	]	]	PUNCT
eurjchem-1713	15	27	.	.	PUNCT
eurjchem-1713	16	1	the	the	DET
eurjchem-1713	16	2	cis	cis	NOUN
eurjchem-1713	16	3	-	-	PUNCT
eurjchem-1713	16	4	enol	enol	NOUN
eurjchem-1713	16	5	forms	form	NOUN
eurjchem-1713	16	6	of	of	ADP
eurjchem-1713	16	7	β	β	NOUN
eurjchem-1713	16	8	-	-	NOUN
eurjchem-1713	16	9	diketones	diketone	NOUN
eurjchem-1713	16	10	are	be	AUX
eurjchem-1713	16	11	engaged	engage	VERB
eurjchem-1713	16	12	in	in	ADP
eurjchem-1713	16	13	an	an	DET
eurjchem-1713	16	14	intramolecular	intramolecular	ADJ
eurjchem-1713	16	15	hydrogen	hydrogen	NOUN
eurjchem-1713	16	16	bond	bond	NOUN
eurjchem-1713	16	17	,	,	PUNCT
eurjchem-1713	16	18	ihb	ihb	ADP
eurjchem-1713	16	19	,	,	PUNCT
eurjchem-1713	16	20	system	system	NOUN
eurjchem-1713	16	21	[	[	X
eurjchem-1713	16	22	7,8	7,8	NUM
eurjchem-1713	16	23	]	]	PUNCT
eurjchem-1713	16	24	,	,	PUNCT
eurjchem-1713	16	25	which	which	PRON
eurjchem-1713	16	26	,	,	PUNCT
eurjchem-1713	16	27	as	as	SCONJ
eurjchem-1713	16	28	resulted	result	VERB
eurjchem-1713	16	29	by	by	ADP
eurjchem-1713	16	30	gilli	gilli	PROPN
eurjchem-1713	16	31	et	et	PROPN
eurjchem-1713	16	32	al	al	PROPN
eurjchem-1713	16	33	.	.	PUNCT
eurjchem-1713	17	1	[	[	X
eurjchem-1713	17	2	9	9	NUM
eurjchem-1713	17	3	-	-	SYM
eurjchem-1713	17	4	12	12	NUM
eurjchem-1713	17	5	]	]	PUNCT
eurjchem-1713	17	6	,	,	PUNCT
eurjchem-1713	17	7	the	the	DET
eurjchem-1713	17	8	π	π	PROPN
eurjchem-1713	17	9	-	-	NOUN
eurjchem-1713	17	10	electron	electron	NOUN
eurjchem-1713	17	11	delocalization	delocalization	NOUN
eurjchem-1713	17	12	between	between	ADP
eurjchem-1713	17	13	the	the	DET
eurjchem-1713	17	14	donor	donor	NOUN
eurjchem-1713	17	15	and	and	CCONJ
eurjchem-1713	17	16	acceptor	acceptor	NOUN
eurjchem-1713	17	17	atoms	atom	NOUN
eurjchem-1713	17	18	is	be	AUX
eurjchem-1713	17	19	responsible	responsible	ADJ
eurjchem-1713	17	20	to	to	PART
eurjchem-1713	17	21	increase	increase	VERB
eurjchem-1713	17	22	the	the	DET
eurjchem-1713	17	23	intramolecular	intramolecular	ADJ
eurjchem-1713	17	24	hb	hb	NOUN
eurjchem-1713	17	25	strength	strength	NOUN
eurjchem-1713	17	26	in	in	ADP
eurjchem-1713	17	27	malonaldehyde	malonaldehyde	PROPN
eurjchem-1713	17	28	,	,	PUNCT
eurjchem-1713	17	29	βdiketones	βdiketone	NOUN
eurjchem-1713	17	30	and	and	CCONJ
eurjchem-1713	17	31	derivatives	derivative	NOUN
eurjchem-1713	17	32	.	.	PUNCT
eurjchem-1713	18	1	formation	formation	NOUN
eurjchem-1713	18	2	of	of	ADP
eurjchem-1713	18	3	ihb	ihb	PRON
eurjchem-1713	18	4	causes	cause	VERB
eurjchem-1713	18	5	an	an	DET
eurjchem-1713	18	6	obvious	obvious	ADJ
eurjchem-1713	18	7	affinity	affinity	NOUN
eurjchem-1713	18	8	for	for	ADP
eurjchem-1713	18	9	equalization	equalization	NOUN
eurjchem-1713	18	10	of	of	ADP
eurjchem-1713	18	11	the	the	DET
eurjchem-1713	18	12	valence	valence	NOUN
eurjchem-1713	18	13	bonds	bond	NOUN
eurjchem-1713	18	14	in	in	ADP
eurjchem-1713	18	15	the	the	DET
eurjchem-1713	18	16	resulting	result	VERB
eurjchem-1713	18	17	chelated	chelated	ADJ
eurjchem-1713	18	18	ring	ring	NOUN
eurjchem-1713	18	19	.	.	PUNCT
eurjchem-1713	19	1	thus	thus	ADV
eurjchem-1713	19	2	,	,	PUNCT
eurjchem-1713	19	3	any	any	DET
eurjchem-1713	19	4	parameter	parameter	NOUN
eurjchem-1713	19	5	that	that	PRON
eurjchem-1713	19	6	affects	affect	VERB
eurjchem-1713	19	7	the	the	DET
eurjchem-1713	19	8	electron	electron	NOUN
eurjchem-1713	19	9	density	density	NOUN
eurjchem-1713	19	10	of	of	ADP
eurjchem-1713	19	11	the	the	DET
eurjchem-1713	19	12	chelating	chelating	NOUN
eurjchem-1713	19	13	ring	ring	NOUN
eurjchem-1713	19	14	will	will	AUX
eurjchem-1713	19	15	change	change	VERB
eurjchem-1713	19	16	the	the	DET
eurjchem-1713	19	17	ihb	ihb	NOUN
eurjchem-1713	19	18	strength	strength	NOUN
eurjchem-1713	19	19	,	,	PUNCT
eurjchem-1713	19	20	ehb	ehb	PROPN
eurjchem-1713	19	21	.	.	PUNCT
eurjchem-1713	20	1	two	two	NUM
eurjchem-1713	20	2	stable	stable	ADJ
eurjchem-1713	20	3	cis	cis	NOUN
eurjchem-1713	20	4	-	-	PUNCT
eurjchem-1713	20	5	enol	enol	NOUN
eurjchem-1713	20	6	forms	form	NOUN
eurjchem-1713	20	7	of	of	ADP
eurjchem-1713	20	8	4,4,4	4,4,4	PROPN
eurjchem-1713	20	9	-	-	PUNCT
eurjchem-1713	20	10	trifluoro-1	trifluoro-1	NOUN
eurjchem-1713	20	11	-	-	PUNCT
eurjchem-1713	20	12	phenyl-1,3butanedione	phenyl-1,3butanedione	NOUN
eurjchem-1713	20	13	,	,	PUNCT
eurjchem-1713	20	14	known	know	VERB
eurjchem-1713	20	15	as	as	ADP
eurjchem-1713	20	16	trifluorobenzoylacetone	trifluorobenzoylacetone	NOUN
eurjchem-1713	20	17	(	(	PUNCT
eurjchem-1713	20	18	tfba	tfba	PROPN
eurjchem-1713	20	19	)	)	PUNCT
eurjchem-1713	20	20	,	,	PUNCT
eurjchem-1713	20	21	and	and	CCONJ
eurjchem-1713	20	22	1	1	NUM
eurjchem-1713	20	23	-	-	PUNCT
eurjchem-1713	20	24	aryl-1,3	aryl-1,3	ADJ
eurjchem-1713	20	25	-	-	PUNCT
eurjchem-1713	20	26	diketone	diketone	NOUN
eurjchem-1713	20	27	malonates	malonate	NOUN
eurjchem-1713	20	28	(	(	PUNCT
eurjchem-1713	20	29	adm	adm	PROPN
eurjchem-1713	20	30	)	)	PUNCT
eurjchem-1713	20	31	as	as	ADP
eurjchem-1713	20	32	asymmetric	asymmetric	ADJ
eurjchem-1713	20	33	βdiketones	βdiketone	NOUN
eurjchem-1713	20	34	,	,	PUNCT
eurjchem-1713	20	35	were	be	AUX
eurjchem-1713	20	36	characterized	characterize	VERB
eurjchem-1713	20	37	by	by	ADP
eurjchem-1713	20	38	the	the	DET
eurjchem-1713	20	39	position	position	NOUN
eurjchem-1713	20	40	of	of	ADP
eurjchem-1713	20	41	the	the	DET
eurjchem-1713	20	42	phenyl	phenyl	NOUN
eurjchem-1713	20	43	group	group	NOUN
eurjchem-1713	20	44	,	,	PUNCT
eurjchem-1713	20	45	which	which	PRON
eurjchem-1713	20	46	can	can	AUX
eurjchem-1713	20	47	be	be	AUX
eurjchem-1713	20	48	attached	attach	VERB
eurjchem-1713	20	49	at	at	ADP
eurjchem-1713	20	50	c2	c2	PROPN
eurjchem-1713	20	51	or	or	CCONJ
eurjchem-1713	20	52	at	at	ADP
eurjchem-1713	20	53	c4	c4	NOUN
eurjchem-1713	20	54	(	(	PUNCT
eurjchem-1713	20	55	i.e.	i.e.	X
eurjchem-1713	20	56	adjacent	adjacent	ADJ
eurjchem-1713	20	57	to	to	ADP
eurjchem-1713	20	58	c	c	NOUN
eurjchem-1713	20	59	=	=	NOUN
eurjchem-1713	20	60	o	o	NOUN
eurjchem-1713	20	61	and	and	CCONJ
eurjchem-1713	20	62	c	c	NOUN
eurjchem-1713	20	63	-	-	PUNCT
eurjchem-1713	20	64	o	o	NOUN
eurjchem-1713	20	65	bonds	bond	NOUN
eurjchem-1713	20	66	)	)	PUNCT
eurjchem-1713	20	67	,	,	PUNCT
eurjchem-1713	20	68	respectively	respectively	ADV
eurjchem-1713	20	69	(	(	PUNCT
eurjchem-1713	20	70	figure	figure	NOUN
eurjchem-1713	20	71	1	1	NUM
eurjchem-1713	20	72	)	)	PUNCT
eurjchem-1713	20	73	.	.	PUNCT
eurjchem-1713	21	1	these	these	DET
eurjchem-1713	21	2	tautomers	tautomer	NOUN
eurjchem-1713	21	3	are	be	AUX
eurjchem-1713	21	4	labeled	label	VERB
eurjchem-1713	21	5	as	as	ADP
eurjchem-1713	21	6	x	x	NOUN
eurjchem-1713	21	7	-	-	PUNCT
eurjchem-1713	21	8	tfba-2	tfba-2	ADJ
eurjchem-1713	21	9	,	,	PUNCT
eurjchem-1713	21	10	x	x	X
eurjchem-1713	21	11	-	-	PUNCT
eurjchem-1713	21	12	tfba-4	tfba-4	VERB
eurjchem-1713	21	13	,	,	PUNCT
eurjchem-1713	21	14	x	x	NOUN
eurjchem-1713	21	15	-	-	PUNCT
eurjchem-1713	21	16	adm-2	adm-2	NOUN
eurjchem-1713	21	17	,	,	PUNCT
eurjchem-1713	21	18	and	and	CCONJ
eurjchem-1713	21	19	x	x	NOUN
eurjchem-1713	21	20	-	-	PUNCT
eurjchem-1713	21	21	adm-4	adm-4	NUM
eurjchem-1713	21	22	,	,	PUNCT
eurjchem-1713	21	23	respectively	respectively	ADV
eurjchem-1713	21	24	.	.	PUNCT
eurjchem-1713	22	1	replacing	replace	VERB
eurjchem-1713	22	2	the	the	DET
eurjchem-1713	22	3	hydrogen	hydrogen	NOUN
eurjchem-1713	22	4	atom	atom	NOUN
eurjchem-1713	22	5	in	in	ADP
eurjchem-1713	22	6	the	the	DET
eurjchem-1713	22	7	para	para	NOUN
eurjchem-1713	22	8	position	position	NOUN
eurjchem-1713	22	9	of	of	ADP
eurjchem-1713	22	10	phenyl	phenyl	NOUN
eurjchem-1713	22	11	ring	ring	NOUN
eurjchem-1713	22	12	with	with	ADP
eurjchem-1713	22	13	an	an	DET
eurjchem-1713	22	14	electron	electron	NOUN
eurjchem-1713	22	15	-	-	PUNCT
eurjchem-1713	22	16	withdrawing	withdraw	VERB
eurjchem-1713	22	17	group	group	NOUN
eurjchem-1713	22	18	(	(	PUNCT
eurjchem-1713	22	19	ewg	ewg	PROPN
eurjchem-1713	22	20	)	)	PUNCT
eurjchem-1713	22	21	or	or	CCONJ
eurjchem-1713	22	22	electron	electron	NOUN
eurjchem-1713	22	23	donating	donate	VERB
eurjchem-1713	22	24	group	group	NOUN
eurjchem-1713	22	25	(	(	PUNCT
eurjchem-1713	22	26	edg	edg	PROPN
eurjchem-1713	22	27	)	)	PUNCT
eurjchem-1713	22	28	causes	cause	VERB
eurjchem-1713	22	29	a	a	DET
eurjchem-1713	22	30	charge	charge	NOUN
eurjchem-1713	22	31	redistribution	redistribution	NOUN
eurjchem-1713	22	32	in	in	ADP
eurjchem-1713	22	33	the	the	DET
eurjchem-1713	22	34	π	π	NOUN
eurjchem-1713	22	35	-	-	NOUN
eurjchem-1713	22	36	electrons	electron	NOUN
eurjchem-1713	22	37	of	of	ADP
eurjchem-1713	22	38	the	the	DET
eurjchem-1713	22	39	chelated	chelated	ADJ
eurjchem-1713	22	40	ring	ring	NOUN
eurjchem-1713	22	41	.	.	PUNCT
eurjchem-1713	23	1	therefore	therefore	ADV
eurjchem-1713	23	2	,	,	PUNCT
eurjchem-1713	23	3	the	the	DET
eurjchem-1713	23	4	ihb	ihb	NOUN
eurjchem-1713	23	5	of	of	ADP
eurjchem-1713	23	6	these	these	DET
eurjchem-1713	23	7	molecules	molecule	NOUN
eurjchem-1713	23	8	is	be	AUX
eurjchem-1713	23	9	affected	affect	VERB
eurjchem-1713	23	10	by	by	ADP
eurjchem-1713	23	11	the	the	DET
eurjchem-1713	23	12	substitution	substitution	NOUN
eurjchem-1713	23	13	on	on	ADP
eurjchem-1713	23	14	the	the	DET
eurjchem-1713	23	15	para	para	NOUN
eurjchem-1713	23	16	position	position	NOUN
eurjchem-1713	23	17	of	of	ADP
eurjchem-1713	23	18	the	the	DET
eurjchem-1713	23	19	phenyl	phenyl	NOUN
eurjchem-1713	23	20	group	group	NOUN
eurjchem-1713	23	21	[	[	X
eurjchem-1713	23	22	13	13	NUM
eurjchem-1713	23	23	-	-	SYM
eurjchem-1713	23	24	16	16	NUM
eurjchem-1713	23	25	]	]	PUNCT
eurjchem-1713	23	26	.	.	PUNCT
eurjchem-1713	24	1	hammett	hammett	PROPN
eurjchem-1713	24	2	quantified	quantify	VERB
eurjchem-1713	24	3	the	the	DET
eurjchem-1713	24	4	effects	effect	NOUN
eurjchem-1713	24	5	of	of	ADP
eurjchem-1713	24	6	substituents	substituent	NOUN
eurjchem-1713	24	7	by	by	ADP
eurjchem-1713	24	8	considering	consider	VERB
eurjchem-1713	24	9	an	an	DET
eurjchem-1713	24	10	empirical	empirical	ADJ
eurjchem-1713	24	11	electronic	electronic	ADJ
eurjchem-1713	24	12	substituent	substituent	NOUN
eurjchem-1713	24	13	parameter	parameter	NOUN
eurjchem-1713	24	14	(	(	PUNCT
eurjchem-1713	24	15	σ	σ	PROPN
eurjchem-1713	24	16	)	)	PUNCT
eurjchem-1713	24	17	,	,	PUNCT
eurjchem-1713	24	18	which	which	PRON
eurjchem-1713	24	19	obtained	obtain	VERB
eurjchem-1713	24	20	from	from	ADP
eurjchem-1713	24	21	the	the	DET
eurjchem-1713	24	22	acid	acid	PROPN
eurjchem-1713	24	23	dissociation	dissociation	NOUN
eurjchem-1713	24	24	constants	constant	NOUN
eurjchem-1713	24	25	,	,	PUNCT
eurjchem-1713	24	26	ka	ka	PROPN
eurjchem-1713	24	27	’s	’s	ADV
eurjchem-1713	24	28	of	of	ADP
eurjchem-1713	24	29	substituted	substitute	VERB
eurjchem-1713	24	30	benzoic	benzoic	NOUN
eurjchem-1713	24	31	acids	acid	NOUN
eurjchem-1713	24	32	[	[	X
eurjchem-1713	24	33	17,18	17,18	NUM
eurjchem-1713	24	34	]	]	PUNCT
eurjchem-1713	24	35	.	.	PUNCT
eurjchem-1713	25	1	abstract	abstract	ADJ
eurjchem-1713	25	2	research	research	NOUN
eurjchem-1713	25	3	article	article	NOUN
eurjchem-1713	25	4	keywords	keyword	VERB
eurjchem-1713	25	5	european	european	PROPN
eurjchem-1713	25	6	journal	journal	PROPN
eurjchem-1713	25	7	of	of	ADP
eurjchem-1713	25	8	chemistry	chemistry	NOUN
eurjchem-1713	25	9	issn	issn	VERB
eurjchem-1713	25	10	2153	2153	NUM
eurjchem-1713	25	11	-	-	SYM
eurjchem-1713	25	12	2249	2249	NUM
eurjchem-1713	25	13	(	(	PUNCT
eurjchem-1713	25	14	print	print	NOUN
eurjchem-1713	25	15	)	)	PUNCT
eurjchem-1713	25	16	/	/	PUNCT
eurjchem-1713	25	17	issn	issn	PROPN
eurjchem-1713	25	18	2153	2153	NUM
eurjchem-1713	25	19	-	-	SYM
eurjchem-1713	25	20	2257	2257	NUM
eurjchem-1713	25	21	(	(	PUNCT
eurjchem-1713	25	22	online	online	ADJ
eurjchem-1713	25	23	)	)	PUNCT
eurjchem-1713	25	24	–	–	PUNCT
eurjchem-1713	26	1	copyright	copyright	NOUN
eurjchem-1713	26	2	©	©	PROPN
eurjchem-1713	26	3	2018	2018	NUM
eurjchem-1713	26	4	the	the	DET
eurjchem-1713	26	5	authors	author	NOUN
eurjchem-1713	26	6	–	–	PUNCT
eurjchem-1713	26	7	atlanta	atlanta	PROPN
eurjchem-1713	26	8	publishing	publishing	PROPN
eurjchem-1713	26	9	house	house	PROPN
eurjchem-1713	26	10	llc	llc	PROPN
eurjchem-1713	26	11	–	–	PUNCT
eurjchem-1713	26	12	printed	print	VERB
eurjchem-1713	26	13	in	in	ADP
eurjchem-1713	26	14	the	the	DET
eurjchem-1713	26	15	usa	usa	PROPN
eurjchem-1713	26	16	.	.	PUNCT
eurjchem-1713	27	1	this	this	DET
eurjchem-1713	27	2	work	work	NOUN
eurjchem-1713	27	3	is	be	AUX
eurjchem-1713	27	4	published	publish	VERB
eurjchem-1713	27	5	and	and	CCONJ
eurjchem-1713	27	6	licensed	license	VERB
eurjchem-1713	27	7	by	by	ADP
eurjchem-1713	27	8	atlanta	atlanta	PROPN
eurjchem-1713	27	9	publishing	publishing	PROPN
eurjchem-1713	27	10	house	house	PROPN
eurjchem-1713	27	11	llc	llc	PROPN
eurjchem-1713	27	12	–	–	PUNCT
eurjchem-1713	27	13	cc	cc	PROPN
eurjchem-1713	27	14	by	by	ADP
eurjchem-1713	27	15	nc	nc	PROPN
eurjchem-1713	27	16	–	–	PUNCT
eurjchem-1713	27	17	some	some	DET
eurjchem-1713	27	18	rights	right	NOUN
eurjchem-1713	27	19	reserved	reserve	VERB
eurjchem-1713	27	20	.	.	PUNCT
eurjchem-1713	28	1	http://dx.doi.org/10.5155/eurjchem.9.3.213-221.1713	http://dx.doi.org/10.5155/eurjchem.9.3.213-221.1713	PRON
eurjchem-1713	28	2	http://dx.doi.org/10.5155/eurjchem.9.3.213-221.1713	http://dx.doi.org/10.5155/eurjchem.9.3.213-221.1713	NOUN
eurjchem-1713	28	3	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.9.3.213-221.1713&domain=pdf&date_stamp=2018-09-30	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.9.3.213-221.1713&domain=pdf&date_stamp=2018-09-30	NOUN
eurjchem-1713	28	4	http://www.eurjchem.com/	http://www.eurjchem.com/	NOUN
eurjchem-1713	28	5	http://dx.doi.org/10.5155/eurjchem.9.3.213-221.1713	http://dx.doi.org/10.5155/eurjchem.9.3.213-221.1713	NOUN
eurjchem-1713	28	6	mailto:vahidrezadarugar@mail.um.ac.ir	mailto:vahidrezadarugar@mail.um.ac.ir	ADV
eurjchem-1713	28	7	mailto:vakili-m@um.ac.ir	mailto:vakili-m@um.ac.ir	ADJ
eurjchem-1713	28	8	mailto:sftayyari@yahoo.com	mailto:sftayyari@yahoo.com	X
eurjchem-1713	29	1	mailto:afzalimona@yahoo.com	mailto:afzalimona@yahoo.com	PROPN
eurjchem-1713	29	2	mailto:fadil@chem.ku.dk	mailto:fadil@chem.ku.dk	PROPN
eurjchem-1713	29	3	mailto:vakili-m@um.ac.ir	mailto:vakili-m@um.ac.ir	PROPN
eurjchem-1713	29	4	mailto:vahidrezadarugar@mail.um.ac.ir	mailto:vahidrezadarugar@mail.um.ac.ir	ADJ
eurjchem-1713	29	5	http://www.eurjchem.com/	http://www.eurjchem.com/	NOUN
eurjchem-1713	29	6	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.9.3.213-221.1713&domain=pdf&date_stamp=2018-09-30	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.9.3.213-221.1713&domain=pdf&date_stamp=2018-09-30	PROPN
eurjchem-1713	29	7	�	�	PROPN
eurjchem-1713	29	8	214	214	NUM
eurjchem-1713	29	9	darugar	darugar	NOUN
eurjchem-1713	29	10	et	et	PROPN
eurjchem-1713	29	11	al	al	PROPN
eurjchem-1713	29	12	.	.	PUNCT
eurjchem-1713	29	13	/	/	SYM
eurjchem-1713	29	14	european	european	PROPN
eurjchem-1713	29	15	journal	journal	PROPN
eurjchem-1713	29	16	of	of	ADP
eurjchem-1713	29	17	chemistry	chemistry	NOUN
eurjchem-1713	29	18	9	9	NUM
eurjchem-1713	29	19	(	(	PUNCT
eurjchem-1713	29	20	3	3	NUM
eurjchem-1713	29	21	)	)	PUNCT
eurjchem-1713	29	22	(	(	PUNCT
eurjchem-1713	29	23	2018	2018	NUM
eurjchem-1713	29	24	)	)	PUNCT
eurjchem-1713	29	25	213	213	NUM
eurjchem-1713	29	26	-	-	SYM
eurjchem-1713	29	27	221	221	NUM
eurjchem-1713	29	28	table	table	NOUN
eurjchem-1713	29	29	1	1	NUM
eurjchem-1713	29	30	.	.	PUNCT
eurjchem-1713	29	31	calculated	calculate	VERB
eurjchem-1713	29	32	relative	relative	ADJ
eurjchem-1713	29	33	energies	energy	NOUN
eurjchem-1713	29	34	of	of	ADP
eurjchem-1713	29	35	x	x	NOUN
eurjchem-1713	29	36	-	-	PUNCT
eurjchem-1713	29	37	tfba-2	tfba-2	NOUN
eurjchem-1713	29	38	with	with	ADP
eurjchem-1713	29	39	respect	respect	NOUN
eurjchem-1713	29	40	to	to	ADP
eurjchem-1713	29	41	x	x	NOUN
eurjchem-1713	29	42	-	-	PUNCT
eurjchem-1713	29	43	tfba-4	tfba-4	VERB
eurjchem-1713	29	44	,	,	PUNCT
eurjchem-1713	29	45	as	as	ADP
eurjchem-1713	29	46	the	the	DET
eurjchem-1713	29	47	most	most	ADV
eurjchem-1713	29	48	stable	stable	ADJ
eurjchem-1713	29	49	form	form	NOUN
eurjchem-1713	29	50	,	,	PUNCT
eurjchem-1713	29	51	in	in	ADP
eurjchem-1713	29	52	gas	gas	NOUN
eurjchem-1713	29	53	phase	phase	NOUN
eurjchem-1713	29	54	and	and	CCONJ
eurjchem-1713	29	55	in	in	ADP
eurjchem-1713	29	56	solution	solution	NOUN
eurjchem-1713	29	57	(	(	PUNCT
eurjchem-1713	29	58	in	in	ADP
eurjchem-1713	29	59	kcal	kcal	PROPN
eurjchem-1713	29	60	/	/	SYM
eurjchem-1713	29	61	mol	mol	NOUN
eurjchem-1713	29	62	)	)	PUNCT
eurjchem-1713	29	63	,	,	PUNCT
eurjchem-1713	29	64	and	and	CCONJ
eurjchem-1713	29	65	theoretical	theoretical	ADJ
eurjchem-1713	29	66	and	and	CCONJ
eurjchem-1713	29	67	experimental	experimental	ADJ
eurjchem-1713	29	68	equilibrium	equilibrium	NOUN
eurjchem-1713	29	69	constants	constant	NOUN
eurjchem-1713	29	70	between	between	ADP
eurjchem-1713	29	71	x	x	NOUN
eurjchem-1713	29	72	-	-	PUNCT
eurjchem-1713	29	73	tfba-4	tfba-4	VERB
eurjchem-1713	29	74	⇌	⇌	NOUN
eurjchem-1713	29	75	x	x	X
eurjchem-1713	29	76	-	-	PUNCT
eurjchem-1713	29	77	tfba-2	tfba-2	NUM
eurjchem-1713	29	78	a.	a.	NOUN
eurjchem-1713	29	79	calculation	calculation	NOUN
eurjchem-1713	29	80	level	level	NOUN
eurjchem-1713	29	81	tfba-2	tfba-2	NUM
eurjchem-1713	29	82	f	f	X
eurjchem-1713	29	83	-	-	PUNCT
eurjchem-1713	29	84	tfba-2	tfba-2	PROPN
eurjchem-1713	29	85	ch3	ch3	PROPN
eurjchem-1713	29	86	-	-	PUNCT
eurjchem-1713	29	87	tfba-2	tfba-2	PROPN
eurjchem-1713	29	88	och3	och3	ADJ
eurjchem-1713	29	89	-	-	PUNCT
eurjchem-1713	29	90	tfba-2	tfba-2	NUM
eurjchem-1713	29	91	nh2	nh2	PROPN
eurjchem-1713	29	92	-	-	PUNCT
eurjchem-1713	29	93	tfba-2	tfba-2	NOUN
eurjchem-1713	29	94	no2	no2	NOUN
eurjchem-1713	29	95	-	-	PUNCT
eurjchem-1713	29	96	tfba-2	tfba-2	NUM
eurjchem-1713	29	97	cf3	cf3	NOUN
eurjchem-1713	29	98	-	-	PUNCT
eurjchem-1713	29	99	tfba-2	tfba-2	PROPN
eurjchem-1713	29	100	oh	oh	NUM
eurjchem-1713	29	101	-	-	PUNCT
eurjchem-1713	29	102	tfba-2	tfba-2	NOUN
eurjchem-1713	29	103	a/6	a/6	NOUN
eurjchem-1713	29	104	-	-	SYM
eurjchem-1713	29	105	311++g	311++g	NOUN
eurjchem-1713	29	106	*	*	NOUN
eurjchem-1713	29	107	*	*	NOUN
eurjchem-1713	29	108	0.99	0.99	NUM
eurjchem-1713	29	109	(	(	PUNCT
eurjchem-1713	29	110	0.89	0.89	NUM
eurjchem-1713	29	111	)	)	PUNCT
eurjchem-1713	29	112	0.79	0.79	NUM
eurjchem-1713	29	113	(	(	PUNCT
eurjchem-1713	29	114	0.72	0.72	NUM
eurjchem-1713	29	115	)	)	PUNCT
eurjchem-1713	29	116	1.01	1.01	NUM
eurjchem-1713	29	117	(	(	PUNCT
eurjchem-1713	29	118	0.86	0.86	NUM
eurjchem-1713	29	119	)	)	PUNCT
eurjchem-1713	29	120	0.80	0.80	NUM
eurjchem-1713	29	121	(	(	PUNCT
eurjchem-1713	29	122	0.93	0.93	NUM
eurjchem-1713	29	123	)	)	PUNCT
eurjchem-1713	29	124	1.03	1.03	NUM
eurjchem-1713	29	125	(	(	PUNCT
eurjchem-1713	29	126	1.08	1.08	NUM
eurjchem-1713	29	127	)	)	PUNCT
eurjchem-1713	29	128	0.79	0.79	NUM
eurjchem-1713	29	129	(	(	PUNCT
eurjchem-1713	29	130	0.71	0.71	NUM
eurjchem-1713	29	131	)	)	PUNCT
eurjchem-1713	29	132	0.78	0.78	NUM
eurjchem-1713	29	133	(	(	PUNCT
eurjchem-1713	29	134	0.69	0.69	NUM
eurjchem-1713	29	135	)	)	PUNCT
eurjchem-1713	29	136	0.72	0.72	NUM
eurjchem-1713	29	137	(	(	PUNCT
eurjchem-1713	29	138	0.74	0.74	NUM
eurjchem-1713	29	139	)	)	PUNCT
eurjchem-1713	29	140	a	a	DET
eurjchem-1713	29	141	/6	/6	NOUN
eurjchem-1713	29	142	-	-	PUNCT
eurjchem-1713	29	143	311	311	NUM
eurjchem-1713	29	144	g	g	NOUN
eurjchem-1713	29	145	*	*	PROPN
eurjchem-1713	29	146	*	*	NOUN
eurjchem-1713	29	147	0.63	0.63	NUM
eurjchem-1713	29	148	(	(	PUNCT
eurjchem-1713	29	149	0.60	0.60	NUM
eurjchem-1713	29	150	)	)	PUNCT
eurjchem-1713	29	151	0.45	0.45	NUM
eurjchem-1713	29	152	(	(	PUNCT
eurjchem-1713	29	153	0.44	0.44	NUM
eurjchem-1713	29	154	)	)	PUNCT
eurjchem-1713	29	155	0.67	0.67	NUM
eurjchem-1713	29	156	(	(	PUNCT
eurjchem-1713	29	157	0.62	0.62	NUM
eurjchem-1713	29	158	)	)	PUNCT
eurjchem-1713	29	159	0.74	0.74	NUM
eurjchem-1713	29	160	(	(	PUNCT
eurjchem-1713	29	161	0.80	0.80	NUM
eurjchem-1713	29	162	)	)	PUNCT
eurjchem-1713	29	163	0.76	0.76	NUM
eurjchem-1713	29	164	(	(	PUNCT
eurjchem-1713	29	165	0.70	0.70	NUM
eurjchem-1713	29	166	)	)	PUNCT
eurjchem-1713	29	167	0.46	0.46	NUM
eurjchem-1713	29	168	(	(	PUNCT
eurjchem-1713	29	169	0.46	0.46	NUM
eurjchem-1713	29	170	)	)	PUNCT
eurjchem-1713	29	171	0.48	0.48	NUM
eurjchem-1713	29	172	(	(	PUNCT
eurjchem-1713	29	173	0.48	0.48	NUM
eurjchem-1713	29	174	)	)	PUNCT
eurjchem-1713	29	175	0.47	0.47	NUM
eurjchem-1713	29	176	(	(	PUNCT
eurjchem-1713	29	177	0.45	0.45	NUM
eurjchem-1713	29	178	)	)	PUNCT
eurjchem-1713	29	179	a	a	DET
eurjchem-1713	29	180	/6	/6	NOUN
eurjchem-1713	29	181	-	-	PUNCT
eurjchem-1713	29	182	31	31	NUM
eurjchem-1713	29	183	g	g	NOUN
eurjchem-1713	29	184	*	*	PROPN
eurjchem-1713	29	185	*	*	NOUN
eurjchem-1713	29	186	0.55	0.55	NUM
eurjchem-1713	29	187	(	(	PUNCT
eurjchem-1713	29	188	0.50	0.50	NUM
eurjchem-1713	29	189	)	)	PUNCT
eurjchem-1713	29	190	0.39	0.39	NUM
eurjchem-1713	29	191	(	(	PUNCT
eurjchem-1713	29	192	0.38	0.38	NUM
eurjchem-1713	29	193	)	)	PUNCT
eurjchem-1713	29	194	0.60	0.60	NUM
eurjchem-1713	29	195	(	(	PUNCT
eurjchem-1713	29	196	0.54	0.54	NUM
eurjchem-1713	29	197	)	)	PUNCT
eurjchem-1713	29	198	0.66	0.66	NUM
eurjchem-1713	29	199	(	(	PUNCT
eurjchem-1713	29	200	0.60	0.60	NUM
eurjchem-1713	29	201	)	)	PUNCT
eurjchem-1713	29	202	0.66	0.66	NUM
eurjchem-1713	29	203	(	(	PUNCT
eurjchem-1713	29	204	0.59	0.59	NUM
eurjchem-1713	29	205	)	)	PUNCT
eurjchem-1713	29	206	0.39	0.39	NUM
eurjchem-1713	29	207	(	(	PUNCT
eurjchem-1713	29	208	0.39	0.39	NUM
eurjchem-1713	29	209	)	)	PUNCT
eurjchem-1713	29	210	0.43	0.43	NUM
eurjchem-1713	29	211	(	(	PUNCT
eurjchem-1713	29	212	0.40	0.40	NUM
eurjchem-1713	29	213	)	)	PUNCT
eurjchem-1713	29	214	0.38	0.38	NUM
eurjchem-1713	29	215	(	(	PUNCT
eurjchem-1713	29	216	0.36	0.36	NUM
eurjchem-1713	29	217	)	)	PUNCT
eurjchem-1713	29	218	b	b	NOUN
eurjchem-1713	29	219	/6	/6	NOUN
eurjchem-1713	29	220	-	-	PUNCT
eurjchem-1713	29	221	31	31	NUM
eurjchem-1713	29	222	g	g	NOUN
eurjchem-1713	29	223	*	*	PROPN
eurjchem-1713	29	224	*	*	NOUN
eurjchem-1713	29	225	0.08	0.08	NUM
eurjchem-1713	29	226	0.09	0.09	NUM
eurjchem-1713	29	227	0.22	0.22	NUM
eurjchem-1713	29	228	0.98	0.98	NUM
eurjchem-1713	29	229	0.35	0.35	NUM
eurjchem-1713	29	230	0.04	0.04	NUM
eurjchem-1713	29	231	0.16	0.16	NUM
eurjchem-1713	29	232	0.75	0.75	NUM
eurjchem-1713	29	233	c	c	NOUN
eurjchem-1713	29	234	/6	/6	PUNCT
eurjchem-1713	29	235	-	-	PUNCT
eurjchem-1713	29	236	311++g	311++g	NOUN
eurjchem-1713	29	237	*	*	NOUN
eurjchem-1713	29	238	*	*	NOUN
eurjchem-1713	29	239	1.07	1.07	NUM
eurjchem-1713	29	240	0.88	0.88	NUM
eurjchem-1713	29	241	1.11	1.11	NUM
eurjchem-1713	29	242	1.18	1.18	NUM
eurjchem-1713	29	243	1.19	1.19	NUM
eurjchem-1713	29	244	0.89	0.89	NUM
eurjchem-1713	29	245	0.89	0.89	NUM
eurjchem-1713	29	246	0.89	0.89	NUM
eurjchem-1713	29	247	ccl4	ccl4	PROPN
eurjchem-1713	29	248	b	b	PROPN
eurjchem-1713	29	249	1.23	1.23	NUM
eurjchem-1713	29	250	(	(	PUNCT
eurjchem-1713	29	251	1.15	1.15	NUM
eurjchem-1713	29	252	)	)	PUNCT
eurjchem-1713	29	253	1.06	1.06	NUM
eurjchem-1713	29	254	(	(	PUNCT
eurjchem-1713	29	255	0.96	0.96	NUM
eurjchem-1713	29	256	)	)	PUNCT
eurjchem-1713	29	257	1.21	1.21	NUM
eurjchem-1713	29	258	(	(	PUNCT
eurjchem-1713	29	259	1.18	1.18	NUM
eurjchem-1713	29	260	)	)	PUNCT
eurjchem-1713	29	261	1.15	1.15	NUM
eurjchem-1713	29	262	(	(	PUNCT
eurjchem-1713	29	263	1.19	1.19	NUM
eurjchem-1713	29	264	)	)	PUNCT
eurjchem-1713	29	265	1.39	1.39	NUM
eurjchem-1713	29	266	(	(	PUNCT
eurjchem-1713	29	267	1.31	1.31	NUM
eurjchem-1713	29	268	)	)	PUNCT
eurjchem-1713	29	269	1.01	1.01	NUM
eurjchem-1713	29	270	(	(	PUNCT
eurjchem-1713	29	271	0.94	0.94	NUM
eurjchem-1713	29	272	)	)	PUNCT
eurjchem-1713	29	273	1.01	1.01	NUM
eurjchem-1713	29	274	(	(	PUNCT
eurjchem-1713	29	275	0.93	0.93	NUM
eurjchem-1713	29	276	)	)	PUNCT
eurjchem-1713	29	277	1.07	1.07	NUM
eurjchem-1713	29	278	(	(	PUNCT
eurjchem-1713	29	279	1.02	1.02	NUM
eurjchem-1713	29	280	)	)	PUNCT
eurjchem-1713	29	281	ch3cn	ch3cn	PROPN
eurjchem-1713	29	282	b	b	NUM
eurjchem-1713	29	283	1.49	1.49	NUM
eurjchem-1713	29	284	(	(	PUNCT
eurjchem-1713	29	285	1.35	1.35	NUM
eurjchem-1713	29	286	)	)	PUNCT
eurjchem-1713	29	287	1.39	1.39	NUM
eurjchem-1713	29	288	(	(	PUNCT
eurjchem-1713	29	289	1.18	1.18	NUM
eurjchem-1713	29	290	)	)	PUNCT
eurjchem-1713	29	291	1.58	1.58	NUM
eurjchem-1713	29	292	(	(	PUNCT
eurjchem-1713	29	293	1.41	1.41	NUM
eurjchem-1713	29	294	)	)	PUNCT
eurjchem-1713	29	295	1.58	1.58	NUM
eurjchem-1713	29	296	(	(	PUNCT
eurjchem-1713	29	297	1.43	1.43	NUM
eurjchem-1713	29	298	)	)	PUNCT
eurjchem-1713	29	299	2.27	2.27	NUM
eurjchem-1713	29	300	(	(	PUNCT
eurjchem-1713	29	301	1.72	1.72	NUM
eurjchem-1713	29	302	)	)	PUNCT
eurjchem-1713	29	303	1.28	1.28	NUM
eurjchem-1713	29	304	(	(	PUNCT
eurjchem-1713	29	305	1.18	1.18	NUM
eurjchem-1713	29	306	)	)	PUNCT
eurjchem-1713	29	307	1.31	1.31	NUM
eurjchem-1713	29	308	(	(	PUNCT
eurjchem-1713	29	309	1.17	1.17	NUM
eurjchem-1713	29	310	)	)	PUNCT
eurjchem-1713	29	311	1.50	1.50	NUM
eurjchem-1713	29	312	(	(	PUNCT
eurjchem-1713	29	313	1.42	1.42	NUM
eurjchem-1713	29	314	)	)	PUNCT
eurjchem-1713	29	315	c2h5oh	c2h5oh	PROPN
eurjchem-1713	29	316	b	b	PROPN
eurjchem-1713	29	317	1.48	1.48	NUM
eurjchem-1713	29	318	(	(	PUNCT
eurjchem-1713	29	319	1.62	1.62	NUM
eurjchem-1713	29	320	)	)	PUNCT
eurjchem-1713	29	321	1.37	1.37	NUM
eurjchem-1713	29	322	(	(	PUNCT
eurjchem-1713	29	323	1.18	1.18	NUM
eurjchem-1713	29	324	)	)	PUNCT
eurjchem-1713	29	325	1.50	1.50	NUM
eurjchem-1713	29	326	(	(	PUNCT
eurjchem-1713	29	327	1.40	1.40	NUM
eurjchem-1713	29	328	)	)	PUNCT
eurjchem-1713	29	329	1.56	1.56	NUM
eurjchem-1713	29	330	(	(	PUNCT
eurjchem-1713	29	331	1.43	1.43	NUM
eurjchem-1713	29	332	)	)	PUNCT
eurjchem-1713	29	333	1.82	1.82	NUM
eurjchem-1713	29	334	(	(	PUNCT
eurjchem-1713	29	335	1.71	1.71	NUM
eurjchem-1713	29	336	)	)	PUNCT
eurjchem-1713	29	337	1.27	1.27	NUM
eurjchem-1713	29	338	(	(	PUNCT
eurjchem-1713	29	339	1.17	1.17	NUM
eurjchem-1713	29	340	)	)	PUNCT
eurjchem-1713	29	341	1.30	1.30	NUM
eurjchem-1713	29	342	(	(	PUNCT
eurjchem-1713	29	343	1.17	1.17	NUM
eurjchem-1713	29	344	)	)	PUNCT
eurjchem-1713	29	345	1.48	1.48	NUM
eurjchem-1713	29	346	(	(	PUNCT
eurjchem-1713	29	347	1.41	1.41	NUM
eurjchem-1713	29	348	)	)	PUNCT
eurjchem-1713	29	349	keq	keq	PROPN
eurjchem-1713	29	350	(	(	PUNCT
eurjchem-1713	29	351	exp	exp	NOUN
eurjchem-1713	29	352	.	.	PUNCT
eurjchem-1713	29	353	)	)	PUNCT
eurjchem-1713	30	1	c	c	NOUN
eurjchem-1713	30	2	1.03	1.03	NUM
eurjchem-1713	30	3	(	(	PUNCT
eurjchem-1713	30	4	1.02	1.02	NUM
eurjchem-1713	30	5	)	)	PUNCT
eurjchem-1713	30	6	1.04	1.04	NUM
eurjchem-1713	30	7	(	(	PUNCT
eurjchem-1713	30	8	-	-	SYM
eurjchem-1713	30	9	)	)	PUNCT
eurjchem-1713	30	10	1.03	1.03	NUM
eurjchem-1713	30	11	(	(	PUNCT
eurjchem-1713	30	12	-	-	SYM
eurjchem-1713	30	13	)	)	PUNCT
eurjchem-1713	30	14	1.04	1.04	NUM
eurjchem-1713	30	15	(	(	PUNCT
eurjchem-1713	30	16	-	-	SYM
eurjchem-1713	30	17	)	)	PUNCT
eurjchem-1713	30	18	1.03	1.03	NUM
eurjchem-1713	30	19	(	(	PUNCT
eurjchem-1713	30	20	-	-	SYM
eurjchem-1713	30	21	)	)	PUNCT
eurjchem-1713	30	22	1.01	1.01	NUM
eurjchem-1713	30	23	(	(	PUNCT
eurjchem-1713	30	24	0.99	0.99	NUM
eurjchem-1713	30	25	)	)	PUNCT
eurjchem-1713	30	26	1.01	1.01	NUM
eurjchem-1713	30	27	(	(	PUNCT
eurjchem-1713	30	28	-	-	SYM
eurjchem-1713	30	29	)	)	PUNCT
eurjchem-1713	30	30	1.06	1.06	NUM
eurjchem-1713	30	31	(	(	PUNCT
eurjchem-1713	30	32	-	-	PUNCT
eurjchem-1713	30	33	)	)	PUNCT
eurjchem-1713	30	34	a	a	DET
eurjchem-1713	30	35	a	a	NOUN
eurjchem-1713	30	36	,	,	PUNCT
eurjchem-1713	30	37	b	b	NOUN
eurjchem-1713	30	38	,	,	PUNCT
eurjchem-1713	30	39	and	and	CCONJ
eurjchem-1713	30	40	c	c	NOUN
eurjchem-1713	30	41	are	be	AUX
eurjchem-1713	30	42	the	the	DET
eurjchem-1713	30	43	calculated	calculated	ADJ
eurjchem-1713	30	44	relative	relative	ADJ
eurjchem-1713	30	45	energies	energy	NOUN
eurjchem-1713	30	46	in	in	ADP
eurjchem-1713	30	47	gas	gas	NOUN
eurjchem-1713	30	48	phase	phase	NOUN
eurjchem-1713	30	49	at	at	ADP
eurjchem-1713	30	50	b3lyp	b3lyp	PROPN
eurjchem-1713	30	51	,	,	PUNCT
eurjchem-1713	30	52	mp2	mp2	PROPN
eurjchem-1713	30	53	,	,	PUNCT
eurjchem-1713	30	54	and	and	CCONJ
eurjchem-1713	30	55	tpssh	tpssh	NOUN
eurjchem-1713	30	56	levels	level	NOUN
eurjchem-1713	30	57	,	,	PUNCT
eurjchem-1713	30	58	respectively	respectively	ADV
eurjchem-1713	30	59	,	,	PUNCT
eurjchem-1713	30	60	the	the	DET
eurjchem-1713	30	61	values	value	NOUN
eurjchem-1713	30	62	of	of	ADP
eurjchem-1713	30	63	zpe	zpe	PROPN
eurjchem-1713	30	64	are	be	AUX
eurjchem-1713	30	65	in	in	ADP
eurjchem-1713	30	66	parentheses	parenthesis	NOUN
eurjchem-1713	30	67	.	.	PUNCT
eurjchem-1713	31	1	b	b	NUM
eurjchem-1713	31	2	calculated	calculate	VERB
eurjchem-1713	31	3	relative	relative	ADJ
eurjchem-1713	31	4	energies	energy	NOUN
eurjchem-1713	31	5	in	in	ADP
eurjchem-1713	31	6	various	various	ADJ
eurjchem-1713	31	7	solvents	solvent	NOUN
eurjchem-1713	31	8	at	at	ADP
eurjchem-1713	31	9	b3lyp/6	b3lyp/6	NOUN
eurjchem-1713	31	10	-	-	X
eurjchem-1713	31	11	311++g	311++g	ADJ
eurjchem-1713	31	12	*	*	NOUN
eurjchem-1713	31	13	*	*	NOUN
eurjchem-1713	31	14	level	level	NOUN
eurjchem-1713	31	15	of	of	ADP
eurjchem-1713	31	16	theory	theory	NOUN
eurjchem-1713	31	17	.	.	PUNCT
eurjchem-1713	32	1	c	c	PROPN
eurjchem-1713	32	2	calculated	calculate	VERB
eurjchem-1713	32	3	equilibrium	equilibrium	NOUN
eurjchem-1713	32	4	constants	constant	NOUN
eurjchem-1713	32	5	are	be	AUX
eurjchem-1713	32	6	in	in	ADP
eurjchem-1713	32	7	gas	gas	NOUN
eurjchem-1713	32	8	phase	phase	NOUN
eurjchem-1713	32	9	at	at	ADP
eurjchem-1713	32	10	b3lyp/6	b3lyp/6	NOUN
eurjchem-1713	32	11	-	-	X
eurjchem-1713	32	12	311++g	311++g	ADJ
eurjchem-1713	32	13	*	*	NOUN
eurjchem-1713	32	14	*	*	NOUN
eurjchem-1713	32	15	level	level	NOUN
eurjchem-1713	32	16	of	of	ADP
eurjchem-1713	32	17	theory	theory	NOUN
eurjchem-1713	32	18	and	and	CCONJ
eurjchem-1713	32	19	experimental	experimental	ADJ
eurjchem-1713	32	20	equilibrium	equilibrium	NOUN
eurjchem-1713	32	21	constants	constant	NOUN
eurjchem-1713	32	22	are	be	AUX
eurjchem-1713	32	23	in	in	ADP
eurjchem-1713	32	24	parentheses	parenthesis	NOUN
eurjchem-1713	32	25	from	from	ADP
eurjchem-1713	32	26	ref	ref	NOUN
eurjchem-1713	32	27	.	.	PUNCT
eurjchem-1713	33	1	[	[	X
eurjchem-1713	33	2	40	40	NUM
eurjchem-1713	33	3	]	]	PUNCT
eurjchem-1713	33	4	.	.	PUNCT
eurjchem-1713	34	1	the	the	DET
eurjchem-1713	34	2	hammett	hammett	PROPN
eurjchem-1713	34	3	equation	equation	NOUN
eurjchem-1713	34	4	have	have	AUX
eurjchem-1713	34	5	correlated	correlate	VERB
eurjchem-1713	34	6	some	some	DET
eurjchem-1713	34	7	parameters	parameter	NOUN
eurjchem-1713	34	8	,	,	PUNCT
eurjchem-1713	34	9	such	such	ADJ
eurjchem-1713	34	10	as	as	ADP
eurjchem-1713	34	11	the	the	DET
eurjchem-1713	34	12	equilibrium	equilibrium	NOUN
eurjchem-1713	34	13	constants	constant	NOUN
eurjchem-1713	34	14	,	,	PUNCT
eurjchem-1713	34	15	rate	rate	NOUN
eurjchem-1713	34	16	constants	constant	NOUN
eurjchem-1713	34	17	,	,	PUNCT
eurjchem-1713	34	18	and	and	CCONJ
eurjchem-1713	34	19	different	different	ADJ
eurjchem-1713	34	20	physical	physical	ADJ
eurjchem-1713	34	21	properties	property	NOUN
eurjchem-1713	34	22	with	with	ADP
eurjchem-1713	34	23	hammett	hammett	PROPN
eurjchem-1713	34	24	constant	constant	PROPN
eurjchem-1713	34	25	to	to	PART
eurjchem-1713	34	26	show	show	VERB
eurjchem-1713	34	27	the	the	DET
eurjchem-1713	34	28	effect	effect	NOUN
eurjchem-1713	34	29	of	of	ADP
eurjchem-1713	34	30	electron	electron	NOUN
eurjchem-1713	34	31	donating	donating	NOUN
eurjchem-1713	34	32	/	/	PUNCT
eurjchem-1713	34	33	withdrawing	withdraw	VERB
eurjchem-1713	34	34	ability	ability	NOUN
eurjchem-1713	34	35	of	of	ADP
eurjchem-1713	34	36	substituents	substituent	NOUN
eurjchem-1713	34	37	on	on	ADP
eurjchem-1713	34	38	the	the	DET
eurjchem-1713	34	39	mentioned	mention	VERB
eurjchem-1713	34	40	properties	property	NOUN
eurjchem-1713	34	41	.	.	PUNCT
eurjchem-1713	35	1	a	a	DET
eurjchem-1713	35	2	few	few	ADJ
eurjchem-1713	35	3	studies	study	NOUN
eurjchem-1713	35	4	have	have	AUX
eurjchem-1713	35	5	been	be	AUX
eurjchem-1713	35	6	reported	report	VERB
eurjchem-1713	35	7	in	in	ADP
eurjchem-1713	35	8	connection	connection	NOUN
eurjchem-1713	35	9	with	with	ADP
eurjchem-1713	35	10	the	the	DET
eurjchem-1713	35	11	hammett	hammett	PROPN
eurjchem-1713	35	12	equation	equation	NOUN
eurjchem-1713	35	13	[	[	X
eurjchem-1713	35	14	19,20	19,20	X
eurjchem-1713	35	15	]	]	PUNCT
eurjchem-1713	35	16	.	.	PUNCT
eurjchem-1713	36	1	p	p	X
eurjchem-1713	36	2	-	-	PUNCT
eurjchem-1713	36	3	x	x	NOUN
eurjchem-1713	36	4	-	-	NOUN
eurjchem-1713	36	5	adm	adm	NOUN
eurjchem-1713	36	6	molecules	molecule	NOUN
eurjchem-1713	36	7	were	be	AUX
eurjchem-1713	36	8	studied	study	VERB
eurjchem-1713	36	9	by	by	ADP
eurjchem-1713	36	10	jimenez	jimenez	PROPN
eurjchem-1713	36	11	-	-	PUNCT
eurjchem-1713	36	12	cruz	cruz	PROPN
eurjchem-1713	36	13	et	et	PROPN
eurjchem-1713	36	14	al	al	PROPN
eurjchem-1713	36	15	.	.	PUNCT
eurjchem-1713	37	1	[	[	X
eurjchem-1713	37	2	21,22	21,22	X
eurjchem-1713	37	3	]	]	X
eurjchem-1713	37	4	.	.	PUNCT
eurjchem-1713	38	1	they	they	PRON
eurjchem-1713	38	2	reported	report	VERB
eurjchem-1713	38	3	the	the	DET
eurjchem-1713	38	4	effects	effect	NOUN
eurjchem-1713	38	5	of	of	ADP
eurjchem-1713	38	6	para	para	NOUN
eurjchem-1713	38	7	substitutions	substitution	NOUN
eurjchem-1713	38	8	on	on	ADP
eurjchem-1713	38	9	the	the	DET
eurjchem-1713	38	10	aromatic	aromatic	ADJ
eurjchem-1713	38	11	systems	system	NOUN
eurjchem-1713	38	12	,	,	PUNCT
eurjchem-1713	38	13	by	by	ADP
eurjchem-1713	38	14	a	a	DET
eurjchem-1713	38	15	correlation	correlation	NOUN
eurjchem-1713	38	16	between	between	ADP
eurjchem-1713	38	17	13c	13c	NOUN
eurjchem-1713	38	18	nmr	nmr	NOUN
eurjchem-1713	38	19	chemical	chemical	NOUN
eurjchem-1713	38	20	shifts	shift	NOUN
eurjchem-1713	38	21	and	and	CCONJ
eurjchem-1713	38	22	hammett	hammett	PROPN
eurjchem-1713	38	23	substituent	substituent	NOUN
eurjchem-1713	38	24	constant	constant	ADJ
eurjchem-1713	38	25	(	(	PUNCT
eurjchem-1713	38	26	σp	σp	PROPN
eurjchem-1713	38	27	)	)	PUNCT
eurjchem-1713	38	28	.	.	PUNCT
eurjchem-1713	39	1	darugar	darugar	NOUN
eurjchem-1713	39	2	et	et	PROPN
eurjchem-1713	39	3	al	al	PROPN
eurjchem-1713	39	4	.	.	PROPN
eurjchem-1713	39	5	reported	report	VERB
eurjchem-1713	39	6	the	the	DET
eurjchem-1713	39	7	correlation	correlation	NOUN
eurjchem-1713	39	8	between	between	ADP
eurjchem-1713	39	9	theoretical	theoretical	ADJ
eurjchem-1713	39	10	and	and	CCONJ
eurjchem-1713	39	11	experimental	experimental	ADJ
eurjchem-1713	39	12	parameters	parameter	NOUN
eurjchem-1713	39	13	related	relate	VERB
eurjchem-1713	39	14	to	to	ADP
eurjchem-1713	39	15	ihb	ihb	DET
eurjchem-1713	39	16	strength	strength	NOUN
eurjchem-1713	39	17	with	with	ADP
eurjchem-1713	39	18	σp	σp	NOUN
eurjchem-1713	39	19	in	in	ADP
eurjchem-1713	39	20	para	para	NOUN
eurjchem-1713	39	21	substituted	substitute	VERB
eurjchem-1713	39	22	benzoylacetones	benzoylacetone	NOUN
eurjchem-1713	39	23	[	[	X
eurjchem-1713	39	24	23	23	NUM
eurjchem-1713	39	25	]	]	PUNCT
eurjchem-1713	39	26	.	.	PUNCT
eurjchem-1713	40	1	the	the	DET
eurjchem-1713	40	2	aim	aim	NOUN
eurjchem-1713	40	3	of	of	ADP
eurjchem-1713	40	4	the	the	DET
eurjchem-1713	40	5	present	present	ADJ
eurjchem-1713	40	6	work	work	NOUN
eurjchem-1713	40	7	is	be	AUX
eurjchem-1713	40	8	to	to	PART
eurjchem-1713	40	9	predict	predict	VERB
eurjchem-1713	40	10	the	the	DET
eurjchem-1713	40	11	molecular	molecular	ADJ
eurjchem-1713	40	12	structure	structure	NOUN
eurjchem-1713	40	13	,	,	PUNCT
eurjchem-1713	40	14	tautomeric	tautomeric	ADJ
eurjchem-1713	40	15	stabilities	stability	NOUN
eurjchem-1713	40	16	,	,	PUNCT
eurjchem-1713	40	17	and	and	CCONJ
eurjchem-1713	40	18	ihb	ihb	DET
eurjchem-1713	40	19	strength	strength	NOUN
eurjchem-1713	40	20	of	of	ADP
eurjchem-1713	40	21	the	the	DET
eurjchem-1713	40	22	titled	title	VERB
eurjchem-1713	40	23	molecules	molecule	NOUN
eurjchem-1713	40	24	by	by	ADP
eurjchem-1713	40	25	means	mean	NOUN
eurjchem-1713	40	26	of	of	ADP
eurjchem-1713	40	27	density	density	NOUN
eurjchem-1713	40	28	functional	functional	ADJ
eurjchem-1713	40	29	theory	theory	NOUN
eurjchem-1713	40	30	(	(	PUNCT
eurjchem-1713	40	31	dft	dft	NOUN
eurjchem-1713	40	32	)	)	PUNCT
eurjchem-1713	40	33	,	,	PUNCT
eurjchem-1713	40	34	atoms	atom	NOUN
eurjchem-1713	40	35	-	-	PUNCT
eurjchem-1713	40	36	in	in	ADP
eurjchem-1713	40	37	-	-	PUNCT
eurjchem-1713	40	38	molecules	molecule	NOUN
eurjchem-1713	40	39	(	(	PUNCT
eurjchem-1713	40	40	aim	aim	NOUN
eurjchem-1713	40	41	)	)	PUNCT
eurjchem-1713	41	1	[	[	X
eurjchem-1713	41	2	24	24	NUM
eurjchem-1713	41	3	]	]	PUNCT
eurjchem-1713	41	4	,	,	PUNCT
eurjchem-1713	41	5	and	and	CCONJ
eurjchem-1713	41	6	natural	natural	ADJ
eurjchem-1713	41	7	bond	bond	NOUN
eurjchem-1713	41	8	orbital	orbital	NOUN
eurjchem-1713	41	9	(	(	PUNCT
eurjchem-1713	41	10	nbo	nbo	NOUN
eurjchem-1713	41	11	)	)	PUNCT
eurjchem-1713	41	12	analyses	analysis	NOUN
eurjchem-1713	41	13	.	.	PUNCT
eurjchem-1713	42	1	afterwards	afterwards	ADV
eurjchem-1713	42	2	,	,	PUNCT
eurjchem-1713	42	3	the	the	DET
eurjchem-1713	42	4	results	result	NOUN
eurjchem-1713	42	5	related	relate	VERB
eurjchem-1713	42	6	to	to	ADP
eurjchem-1713	42	7	ihb	ihb	DET
eurjchem-1713	42	8	strength	strength	NOUN
eurjchem-1713	42	9	have	have	AUX
eurjchem-1713	42	10	been	be	AUX
eurjchem-1713	42	11	compared	compare	VERB
eurjchem-1713	42	12	with	with	ADP
eurjchem-1713	42	13	the	the	DET
eurjchem-1713	42	14	experimental	experimental	ADJ
eurjchem-1713	42	15	enolic	enolic	ADJ
eurjchem-1713	42	16	proton	proton	NOUN
eurjchem-1713	42	17	chemical	chemical	NOUN
eurjchem-1713	42	18	shifts	shift	NOUN
eurjchem-1713	42	19	,	,	PUNCT
eurjchem-1713	42	20	δoh	δoh	NOUN
eurjchem-1713	42	21	which	which	PRON
eurjchem-1713	42	22	shows	show	VERB
eurjchem-1713	42	23	the	the	DET
eurjchem-1713	42	24	effect	effect	NOUN
eurjchem-1713	42	25	of	of	ADP
eurjchem-1713	42	26	different	different	ADJ
eurjchem-1713	42	27	substitutions	substitution	NOUN
eurjchem-1713	42	28	in	in	ADP
eurjchem-1713	42	29	para	para	NOUN
eurjchem-1713	42	30	-	-	PUNCT
eurjchem-1713	42	31	positions	position	NOUN
eurjchem-1713	42	32	of	of	ADP
eurjchem-1713	42	33	phenyl	phenyl	NOUN
eurjchem-1713	42	34	ring	ring	NOUN
eurjchem-1713	42	35	on	on	ADP
eurjchem-1713	42	36	the	the	DET
eurjchem-1713	42	37	ihb	ihb	PRON
eurjchem-1713	42	38	strength	strength	NOUN
eurjchem-1713	42	39	of	of	ADP
eurjchem-1713	42	40	the	the	DET
eurjchem-1713	42	41	title	title	NOUN
eurjchem-1713	42	42	molecules	molecule	NOUN
eurjchem-1713	42	43	.	.	PUNCT
eurjchem-1713	43	1	the	the	DET
eurjchem-1713	43	2	parameters	parameter	NOUN
eurjchem-1713	43	3	related	relate	VERB
eurjchem-1713	43	4	to	to	ADP
eurjchem-1713	43	5	ihb	ihb	NOUN
eurjchem-1713	43	6	,	,	PUNCT
eurjchem-1713	43	7	such	such	ADJ
eurjchem-1713	43	8	as	as	ADP
eurjchem-1713	43	9	ehb	ehb	PROPN
eurjchem-1713	43	10	,	,	PUNCT
eurjchem-1713	43	11	ѵoh	ѵoh	PROPN
eurjchem-1713	43	12	,	,	PUNCT
eurjchem-1713	43	13	γoh	γoh	NOUN
eurjchem-1713	43	14	,	,	PUNCT
eurjchem-1713	43	15	δoh	δoh	NOUN
eurjchem-1713	43	16	,	,	PUNCT
eurjchem-1713	43	17	geometrical	geometrical	ADJ
eurjchem-1713	43	18	and	and	CCONJ
eurjchem-1713	43	19	topological	topological	ADJ
eurjchem-1713	43	20	parameters	parameter	NOUN
eurjchem-1713	43	21	would	would	AUX
eurjchem-1713	43	22	be	be	AUX
eurjchem-1713	43	23	correlated	correlate	VERB
eurjchem-1713	43	24	with	with	ADP
eurjchem-1713	43	25	the	the	DET
eurjchem-1713	43	26	hammett	hammett	PROPN
eurjchem-1713	43	27	’s	’s	PART
eurjchem-1713	43	28	para	para	PROPN
eurjchem-1713	43	29	function	function	NOUN
eurjchem-1713	43	30	,	,	PUNCT
eurjchem-1713	43	31	σp	σp	X
eurjchem-1713	43	32	[	[	X
eurjchem-1713	43	33	25	25	NUM
eurjchem-1713	43	34	]	]	PUNCT
eurjchem-1713	43	35	.	.	PUNCT
eurjchem-1713	44	1	so	so	ADV
eurjchem-1713	44	2	,	,	PUNCT
eurjchem-1713	44	3	the	the	DET
eurjchem-1713	44	4	electron	electron	NOUN
eurjchem-1713	44	5	donating	donating	NOUN
eurjchem-1713	44	6	/	/	SYM
eurjchem-1713	44	7	withdrawing	withdraw	VERB
eurjchem-1713	44	8	substituent	substituent	NOUN
eurjchem-1713	44	9	effects	effect	NOUN
eurjchem-1713	44	10	are	be	AUX
eurjchem-1713	44	11	discussed	discuss	VERB
eurjchem-1713	44	12	quantitatively	quantitatively	ADV
eurjchem-1713	44	13	by	by	ADP
eurjchem-1713	44	14	applying	apply	VERB
eurjchem-1713	44	15	the	the	DET
eurjchem-1713	44	16	hammett	hammett	PROPN
eurjchem-1713	44	17	equation	equation	NOUN
eurjchem-1713	44	18	.	.	PUNCT
eurjchem-1713	45	1	2	2	X
eurjchem-1713	45	2	.	.	X
eurjchem-1713	45	3	method	method	NOUN
eurjchem-1713	45	4	of	of	ADP
eurjchem-1713	45	5	calculations	calculation	NOUN
eurjchem-1713	45	6	all	all	DET
eurjchem-1713	45	7	calculations	calculation	NOUN
eurjchem-1713	45	8	were	be	AUX
eurjchem-1713	45	9	performed	perform	VERB
eurjchem-1713	45	10	using	use	VERB
eurjchem-1713	45	11	gaussian	gaussian	ADJ
eurjchem-1713	45	12	09	09	NUM
eurjchem-1713	45	13	software	software	NOUN
eurjchem-1713	45	14	package	package	NOUN
eurjchem-1713	45	15	[	[	X
eurjchem-1713	45	16	26	26	NUM
eurjchem-1713	45	17	]	]	PUNCT
eurjchem-1713	45	18	.	.	PUNCT
eurjchem-1713	46	1	the	the	DET
eurjchem-1713	46	2	cis	cis	NOUN
eurjchem-1713	46	3	-	-	PUNCT
eurjchem-1713	46	4	enol	enol	NOUN
eurjchem-1713	46	5	structure	structure	NOUN
eurjchem-1713	46	6	of	of	ADP
eurjchem-1713	46	7	all	all	DET
eurjchem-1713	46	8	molecules	molecule	NOUN
eurjchem-1713	46	9	has	have	AUX
eurjchem-1713	46	10	been	be	AUX
eurjchem-1713	46	11	optimized	optimize	VERB
eurjchem-1713	46	12	at	at	ADP
eurjchem-1713	46	13	the	the	DET
eurjchem-1713	46	14	b3lyp	b3lyp	PROPN
eurjchem-1713	47	1	[	[	X
eurjchem-1713	47	2	27	27	NUM
eurjchem-1713	47	3	-	-	SYM
eurjchem-1713	47	4	28	28	NUM
eurjchem-1713	47	5	]	]	PUNCT
eurjchem-1713	47	6	,	,	PUNCT
eurjchem-1713	47	7	using	use	VERB
eurjchem-1713	47	8	6	6	NUM
eurjchem-1713	47	9	-	-	SYM
eurjchem-1713	47	10	31	31	NUM
eurjchem-1713	47	11	g	g	NOUN
eurjchem-1713	47	12	*	*	NOUN
eurjchem-1713	47	13	*	*	NOUN
eurjchem-1713	47	14	,	,	PUNCT
eurjchem-1713	47	15	6311	6311	NUM
eurjchem-1713	47	16	g	g	NOUN
eurjchem-1713	47	17	*	*	NOUN
eurjchem-1713	47	18	*	*	PUNCT
eurjchem-1713	47	19	,	,	PUNCT
eurjchem-1713	47	20	and	and	CCONJ
eurjchem-1713	47	21	6	6	NUM
eurjchem-1713	47	22	-	-	SYM
eurjchem-1713	47	23	311++g	311++g	NUM
eurjchem-1713	47	24	*	*	NOUN
eurjchem-1713	47	25	*	*	NOUN
eurjchem-1713	47	26	basis	basis	NOUN
eurjchem-1713	47	27	sets	set	NOUN
eurjchem-1713	47	28	,	,	PUNCT
eurjchem-1713	47	29	the	the	DET
eurjchem-1713	47	30	second	second	ADJ
eurjchem-1713	47	31	-	-	PUNCT
eurjchem-1713	47	32	order	order	NOUN
eurjchem-1713	47	33	møllerplesset	møllerplesset	NOUN
eurjchem-1713	47	34	(	(	PUNCT
eurjchem-1713	47	35	mp2	mp2	NOUN
eurjchem-1713	47	36	)	)	PUNCT
eurjchem-1713	48	1	[	[	X
eurjchem-1713	48	2	29,30	29,30	NUM
eurjchem-1713	48	3	]	]	PUNCT
eurjchem-1713	48	4	,	,	PUNCT
eurjchem-1713	48	5	using	use	VERB
eurjchem-1713	48	6	6	6	NUM
eurjchem-1713	48	7	-	-	SYM
eurjchem-1713	48	8	31	31	NUM
eurjchem-1713	48	9	g	g	NOUN
eurjchem-1713	48	10	*	*	PROPN
eurjchem-1713	48	11	*	*	NOUN
eurjchem-1713	48	12	basis	basis	NOUN
eurjchem-1713	48	13	set	set	NOUN
eurjchem-1713	48	14	,	,	PUNCT
eurjchem-1713	48	15	and	and	CCONJ
eurjchem-1713	48	16	the	the	DET
eurjchem-1713	48	17	tpssh	tpssh	NOUN
eurjchem-1713	49	1	[	[	X
eurjchem-1713	49	2	31	31	NUM
eurjchem-1713	49	3	]	]	PUNCT
eurjchem-1713	49	4	levels	level	NOUN
eurjchem-1713	49	5	,	,	PUNCT
eurjchem-1713	49	6	using	use	VERB
eurjchem-1713	49	7	6	6	NUM
eurjchem-1713	49	8	-	-	SYM
eurjchem-1713	49	9	311++g	311++g	NUM
eurjchem-1713	49	10	*	*	NOUN
eurjchem-1713	49	11	*	*	NOUN
eurjchem-1713	49	12	basis	basis	NOUN
eurjchem-1713	49	13	set	set	NOUN
eurjchem-1713	49	14	.	.	PUNCT
eurjchem-1713	50	1	all	all	PRON
eurjchem-1713	50	2	of	of	ADP
eurjchem-1713	50	3	these	these	DET
eurjchem-1713	50	4	levels	level	NOUN
eurjchem-1713	50	5	and	and	CCONJ
eurjchem-1713	50	6	basis	basis	NOUN
eurjchem-1713	50	7	sets	set	NOUN
eurjchem-1713	50	8	have	have	AUX
eurjchem-1713	50	9	been	be	AUX
eurjchem-1713	50	10	applied	apply	VERB
eurjchem-1713	50	11	to	to	PART
eurjchem-1713	50	12	confirm	confirm	VERB
eurjchem-1713	50	13	the	the	DET
eurjchem-1713	50	14	relative	relative	ADJ
eurjchem-1713	50	15	stability	stability	NOUN
eurjchem-1713	50	16	of	of	ADP
eurjchem-1713	50	17	the	the	DET
eurjchem-1713	50	18	cis	cis	NOUN
eurjchem-1713	50	19	-	-	PUNCT
eurjchem-1713	50	20	enol	enol	NOUN
eurjchem-1713	50	21	forms	form	NOUN
eurjchem-1713	50	22	of	of	ADP
eurjchem-1713	50	23	the	the	DET
eurjchem-1713	50	24	titled	title	VERB
eurjchem-1713	50	25	molecules	molecule	NOUN
eurjchem-1713	50	26	.	.	PUNCT
eurjchem-1713	51	1	the	the	DET
eurjchem-1713	51	2	zero	zero	NUM
eurjchem-1713	51	3	-	-	PUNCT
eurjchem-1713	51	4	point	point	NOUN
eurjchem-1713	51	5	vibrational	vibrational	ADJ
eurjchem-1713	51	6	energy	energy	NOUN
eurjchem-1713	51	7	,	,	PUNCT
eurjchem-1713	51	8	zpe	zpe	PROPN
eurjchem-1713	51	9	,	,	PUNCT
eurjchem-1713	51	10	corrections	correction	NOUN
eurjchem-1713	51	11	were	be	AUX
eurjchem-1713	51	12	obtained	obtain	VERB
eurjchem-1713	51	13	at	at	ADP
eurjchem-1713	51	14	the	the	DET
eurjchem-1713	51	15	b3lyp	b3lyp	NOUN
eurjchem-1713	51	16	level	level	NOUN
eurjchem-1713	51	17	,	,	PUNCT
eurjchem-1713	51	18	without	without	ADP
eurjchem-1713	51	19	applying	apply	VERB
eurjchem-1713	51	20	any	any	DET
eurjchem-1713	51	21	scaling	scaling	NOUN
eurjchem-1713	51	22	.	.	PUNCT
eurjchem-1713	52	1	the	the	DET
eurjchem-1713	52	2	vibrational	vibrational	ADJ
eurjchem-1713	52	3	frequencies	frequency	NOUN
eurjchem-1713	52	4	of	of	ADP
eurjchem-1713	52	5	the	the	DET
eurjchem-1713	52	6	cis	cis	NOUN
eurjchem-1713	52	7	-	-	PUNCT
eurjchem-1713	52	8	enol	enol	NOUN
eurjchem-1713	52	9	forms	form	NOUN
eurjchem-1713	52	10	were	be	AUX
eurjchem-1713	52	11	calculated	calculate	VERB
eurjchem-1713	52	12	at	at	ADP
eurjchem-1713	52	13	the	the	DET
eurjchem-1713	52	14	b3lyp	b3lyp	NOUN
eurjchem-1713	52	15	level	level	NOUN
eurjchem-1713	52	16	of	of	ADP
eurjchem-1713	52	17	theory	theory	NOUN
eurjchem-1713	52	18	.	.	PUNCT
eurjchem-1713	53	1	the	the	DET
eurjchem-1713	53	2	scrf	scrf	NOUN
eurjchem-1713	53	3	-	-	PUNCT
eurjchem-1713	53	4	pcm	pcm	NOUN
eurjchem-1713	53	5	method	method	NOUN
eurjchem-1713	53	6	[	[	X
eurjchem-1713	53	7	32	32	NUM
eurjchem-1713	53	8	]	]	PUNCT
eurjchem-1713	53	9	at	at	ADP
eurjchem-1713	53	10	the	the	DET
eurjchem-1713	53	11	b3lyp/6	b3lyp/6	NOUN
eurjchem-1713	53	12	-	-	PUNCT
eurjchem-1713	53	13	311++g	311++g	ADJ
eurjchem-1713	53	14	*	*	NOUN
eurjchem-1713	53	15	*	*	NOUN
eurjchem-1713	53	16	level	level	NOUN
eurjchem-1713	53	17	,	,	PUNCT
eurjchem-1713	53	18	was	be	AUX
eurjchem-1713	53	19	selected	select	VERB
eurjchem-1713	53	20	for	for	ADP
eurjchem-1713	53	21	calculations	calculation	NOUN
eurjchem-1713	53	22	in	in	ADP
eurjchem-1713	53	23	solutions	solution	NOUN
eurjchem-1713	53	24	.	.	PUNCT
eurjchem-1713	54	1	different	different	ADJ
eurjchem-1713	54	2	polar	polar	ADJ
eurjchem-1713	54	3	and	and	CCONJ
eurjchem-1713	54	4	non	non	ADJ
eurjchem-1713	54	5	-	-	ADJ
eurjchem-1713	54	6	polar	polar	ADJ
eurjchem-1713	54	7	solvent	solvent	NOUN
eurjchem-1713	54	8	such	such	ADJ
eurjchem-1713	54	9	as	as	ADP
eurjchem-1713	54	10	,	,	PUNCT
eurjchem-1713	54	11	acetonitrile	acetonitrile	NOUN
eurjchem-1713	54	12	,	,	PUNCT
eurjchem-1713	54	13	carbon	carbon	NOUN
eurjchem-1713	54	14	tetrachloride	tetrachloride	NOUN
eurjchem-1713	54	15	,	,	PUNCT
eurjchem-1713	54	16	and	and	CCONJ
eurjchem-1713	54	17	ethanol	ethanol	NOUN
eurjchem-1713	54	18	,	,	PUNCT
eurjchem-1713	54	19	were	be	AUX
eurjchem-1713	54	20	used	use	VERB
eurjchem-1713	54	21	to	to	PART
eurjchem-1713	54	22	investigate	investigate	VERB
eurjchem-1713	54	23	the	the	DET
eurjchem-1713	54	24	solvent	solvent	ADJ
eurjchem-1713	54	25	dependence	dependence	NOUN
eurjchem-1713	54	26	of	of	ADP
eurjchem-1713	54	27	tautomeric	tautomeric	ADJ
eurjchem-1713	54	28	equilibrium	equilibrium	NOUN
eurjchem-1713	54	29	.	.	PUNCT
eurjchem-1713	55	1	the	the	DET
eurjchem-1713	55	2	electronic	electronic	ADJ
eurjchem-1713	55	3	charge	charge	NOUN
eurjchem-1713	55	4	density	density	NOUN
eurjchem-1713	55	5	,	,	PUNCT
eurjchem-1713	55	6	ρ(r	ρ(r	PROPN
eurjchem-1713	55	7	)	)	PUNCT
eurjchem-1713	55	8	,	,	PUNCT
eurjchem-1713	55	9	its	its	PRON
eurjchem-1713	55	10	corresponding	corresponding	ADJ
eurjchem-1713	55	11	laplacian	laplacian	NOUN
eurjchem-1713	55	12	,	,	PUNCT
eurjchem-1713	55	13	∇2ρ(r	∇2ρ(r	PROPN
eurjchem-1713	55	14	)	)	PUNCT
eurjchem-1713	55	15	,	,	PUNCT
eurjchem-1713	55	16	at	at	ADP
eurjchem-1713	55	17	the	the	DET
eurjchem-1713	55	18	critical	critical	ADJ
eurjchem-1713	55	19	point	point	NOUN
eurjchem-1713	55	20	of	of	ADP
eurjchem-1713	55	21	hydrogen	hydrogen	NOUN
eurjchem-1713	55	22	bond	bond	NOUN
eurjchem-1713	55	23	,	,	PUNCT
eurjchem-1713	55	24	o	o	NOUN
eurjchem-1713	55	25	…	…	SYM
eurjchem-1713	55	26	h	h	NOUN
eurjchem-1713	55	27	,	,	PUNCT
eurjchem-1713	55	28	and	and	CCONJ
eurjchem-1713	55	29	ehb	ehb	PROPN
eurjchem-1713	55	30	were	be	AUX
eurjchem-1713	55	31	carried	carry	VERB
eurjchem-1713	55	32	out	out	ADP
eurjchem-1713	55	33	by	by	ADP
eurjchem-1713	55	34	using	use	VERB
eurjchem-1713	55	35	the	the	DET
eurjchem-1713	55	36	aim2000	aim2000	ADJ
eurjchem-1713	55	37	program	program	NOUN
eurjchem-1713	55	38	[	[	X
eurjchem-1713	55	39	33,34	33,34	NOUN
eurjchem-1713	55	40	]	]	X
eurjchem-1713	55	41	.	.	PUNCT
eurjchem-1713	56	1	the	the	DET
eurjchem-1713	56	2	nbo	nbo	PROPN
eurjchem-1713	56	3	5.0	5.0	NUM
eurjchem-1713	56	4	program	program	NOUN
eurjchem-1713	56	5	[	[	X
eurjchem-1713	56	6	35	35	NUM
eurjchem-1713	56	7	]	]	PUNCT
eurjchem-1713	56	8	used	use	VERB
eurjchem-1713	56	9	to	to	PART
eurjchem-1713	56	10	calculate	calculate	VERB
eurjchem-1713	56	11	the	the	DET
eurjchem-1713	56	12	second	second	ADJ
eurjchem-1713	56	13	-	-	PUNCT
eurjchem-1713	56	14	order	order	NOUN
eurjchem-1713	56	15	interaction	interaction	NOUN
eurjchem-1713	56	16	energies	energy	NOUN
eurjchem-1713	56	17	e	e	X
eurjchem-1713	56	18	(	(	PUNCT
eurjchem-1713	56	19	2	2	NUM
eurjchem-1713	56	20	)	)	PUNCT
eurjchem-1713	56	21	,	,	PUNCT
eurjchem-1713	56	22	and	and	CCONJ
eurjchem-1713	56	23	natural	natural	ADJ
eurjchem-1713	56	24	charge	charge	NOUN
eurjchem-1713	56	25	of	of	ADP
eurjchem-1713	56	26	the	the	DET
eurjchem-1713	56	27	bridged	bridged	ADJ
eurjchem-1713	56	28	atom	atom	NOUN
eurjchem-1713	56	29	in	in	ADP
eurjchem-1713	56	30	the	the	DET
eurjchem-1713	56	31	chelated	chelated	ADJ
eurjchem-1713	56	32	ring	ring	NOUN
eurjchem-1713	56	33	(	(	PUNCT
eurjchem-1713	56	34	h	h	NOUN
eurjchem-1713	56	35	)	)	PUNCT
eurjchem-1713	56	36	.	.	PUNCT
eurjchem-1713	57	1	to	to	PART
eurjchem-1713	57	2	obtain	obtain	VERB
eurjchem-1713	57	3	the	the	DET
eurjchem-1713	57	4	chemical	chemical	ADJ
eurjchem-1713	57	5	shift	shift	NOUN
eurjchem-1713	57	6	of	of	ADP
eurjchem-1713	57	7	the	the	DET
eurjchem-1713	57	8	enolic	enolic	ADJ
eurjchem-1713	57	9	proton	proton	NOUN
eurjchem-1713	57	10	,	,	PUNCT
eurjchem-1713	57	11	δoh	δoh	NOUN
eurjchem-1713	57	12	,	,	PUNCT
eurjchem-1713	57	13	nmr	nmr	NOUN
eurjchem-1713	57	14	calculations	calculation	NOUN
eurjchem-1713	57	15	were	be	AUX
eurjchem-1713	57	16	done	do	VERB
eurjchem-1713	57	17	by	by	ADP
eurjchem-1713	57	18	using	use	VERB
eurjchem-1713	57	19	gauge	gauge	ADJ
eurjchem-1713	57	20	independent	independent	ADJ
eurjchem-1713	57	21	atomic	atomic	ADJ
eurjchem-1713	57	22	orbital	orbital	NOUN
eurjchem-1713	57	23	(	(	PUNCT
eurjchem-1713	57	24	giao	giao	NOUN
eurjchem-1713	57	25	)	)	PUNCT
eurjchem-1713	57	26	method	method	NOUN
eurjchem-1713	57	27	[	[	X
eurjchem-1713	57	28	36	36	NUM
eurjchem-1713	57	29	,	,	PUNCT
eurjchem-1713	57	30	37	37	NUM
eurjchem-1713	57	31	]	]	PUNCT
eurjchem-1713	57	32	at	at	ADP
eurjchem-1713	57	33	the	the	DET
eurjchem-1713	57	34	b3lyp/6	b3lyp/6	NOUN
eurjchem-1713	57	35	-	-	PUNCT
eurjchem-1713	57	36	311++g	311++g	ADJ
eurjchem-1713	57	37	*	*	NOUN
eurjchem-1713	57	38	*	*	NOUN
eurjchem-1713	57	39	level	level	NOUN
eurjchem-1713	57	40	of	of	ADP
eurjchem-1713	57	41	theory	theory	NOUN
eurjchem-1713	57	42	in	in	ADP
eurjchem-1713	57	43	chloroform	chloroform	NOUN
eurjchem-1713	57	44	as	as	ADP
eurjchem-1713	57	45	solvent	solvent	NOUN
eurjchem-1713	57	46	,	,	PUNCT
eurjchem-1713	57	47	by	by	ADP
eurjchem-1713	57	48	scrf	scrf	NOUN
eurjchem-1713	57	49	-	-	PUNCT
eurjchem-1713	57	50	pcm	pcm	NOUN
eurjchem-1713	57	51	method	method	NOUN
eurjchem-1713	57	52	.	.	PUNCT
eurjchem-1713	58	1	the	the	DET
eurjchem-1713	58	2	predicted	predict	VERB
eurjchem-1713	58	3	1h	1h	NUM
eurjchem-1713	58	4	chemical	chemical	ADJ
eurjchem-1713	58	5	shifts	shift	NOUN
eurjchem-1713	58	6	are	be	AUX
eurjchem-1713	58	7	derived	derive	VERB
eurjchem-1713	58	8	from	from	ADP
eurjchem-1713	58	9	δ	δ	X
eurjchem-1713	58	10	=	=	PUNCT
eurjchem-1713	58	11	σo	σo	PROPN
eurjchem-1713	58	12	−	−	PROPN
eurjchem-1713	58	13	σ	σ	PROPN
eurjchem-1713	58	14	.	.	PUNCT
eurjchem-1713	59	1	in	in	ADP
eurjchem-1713	59	2	this	this	DET
eurjchem-1713	59	3	equation	equation	NOUN
eurjchem-1713	59	4	,	,	PUNCT
eurjchem-1713	59	5	δ	δ	PROPN
eurjchem-1713	59	6	and	and	CCONJ
eurjchem-1713	59	7	σ	σ	PROPN
eurjchem-1713	59	8	are	be	AUX
eurjchem-1713	59	9	the	the	DET
eurjchem-1713	59	10	chemical	chemical	ADJ
eurjchem-1713	59	11	shift	shift	NOUN
eurjchem-1713	59	12	and	and	CCONJ
eurjchem-1713	59	13	the	the	DET
eurjchem-1713	59	14	absolute	absolute	ADJ
eurjchem-1713	59	15	shielding	shielding	NOUN
eurjchem-1713	59	16	of	of	ADP
eurjchem-1713	59	17	bridged	bridged	ADJ
eurjchem-1713	59	18	hydrogen	hydrogen	NOUN
eurjchem-1713	59	19	,	,	PUNCT
eurjchem-1713	59	20	respectively	respectively	ADV
eurjchem-1713	59	21	.	.	PUNCT
eurjchem-1713	60	1	the	the	DET
eurjchem-1713	60	2	σo	σo	PROPN
eurjchem-1713	60	3	is	be	AUX
eurjchem-1713	60	4	the	the	DET
eurjchem-1713	60	5	absolute	absolute	ADJ
eurjchem-1713	60	6	shielding	shielding	NOUN
eurjchem-1713	60	7	of	of	ADP
eurjchem-1713	60	8	hydrogen	hydrogen	NOUN
eurjchem-1713	60	9	nuclei	nucleus	NOUN
eurjchem-1713	60	10	in	in	ADP
eurjchem-1713	60	11	tms	tms	PROPN
eurjchem-1713	60	12	(	(	PUNCT
eurjchem-1713	60	13	tetramethylsilane	tetramethylsilane	ADJ
eurjchem-1713	60	14	)	)	PUNCT
eurjchem-1713	60	15	as	as	ADP
eurjchem-1713	60	16	reference	reference	NOUN
eurjchem-1713	60	17	.	.	PUNCT
eurjchem-1713	61	1	to	to	PART
eurjchem-1713	61	2	end	end	VERB
eurjchem-1713	61	3	,	,	PUNCT
eurjchem-1713	61	4	some	some	DET
eurjchem-1713	61	5	theoretical	theoretical	ADJ
eurjchem-1713	61	6	and	and	CCONJ
eurjchem-1713	61	7	experimental	experimental	ADJ
eurjchem-1713	61	8	parameters	parameter	NOUN
eurjchem-1713	61	9	related	relate	VERB
eurjchem-1713	61	10	to	to	ADP
eurjchem-1713	61	11	ihb	ihb	DET
eurjchem-1713	61	12	strength	strength	NOUN
eurjchem-1713	61	13	were	be	AUX
eurjchem-1713	61	14	correlated	correlate	VERB
eurjchem-1713	61	15	with	with	ADP
eurjchem-1713	61	16	σp	σp	PROPN
eurjchem-1713	61	17	hammett	hammett	PROPN
eurjchem-1713	61	18	equation	equation	PROPN
eurjchem-1713	61	19	.	.	PUNCT
eurjchem-1713	62	1	graphs	graph	NOUN
eurjchem-1713	62	2	were	be	AUX
eurjchem-1713	62	3	drawn	draw	VERB
eurjchem-1713	62	4	and	and	CCONJ
eurjchem-1713	62	5	regression	regression	NOUN
eurjchem-1713	62	6	analyses	analysis	NOUN
eurjchem-1713	62	7	were	be	AUX
eurjchem-1713	62	8	performed	perform	VERB
eurjchem-1713	62	9	using	use	VERB
eurjchem-1713	62	10	microsoft	microsoft	PROPN
eurjchem-1713	62	11	office	office	PROPN
eurjchem-1713	62	12	excel	excel	VERB
eurjchem-1713	62	13	,	,	PUNCT
eurjchem-1713	62	14	2016	2016	NUM
eurjchem-1713	62	15	software	software	NOUN
eurjchem-1713	62	16	.	.	PUNCT
eurjchem-1713	63	1	3	3	X
eurjchem-1713	63	2	.	.	NOUN
eurjchem-1713	63	3	results	result	NOUN
eurjchem-1713	63	4	and	and	CCONJ
eurjchem-1713	63	5	discussion	discussion	NOUN
eurjchem-1713	63	6	3.1	3.1	NUM
eurjchem-1713	63	7	.	.	PUNCT
eurjchem-1713	64	1	tautomeric	tautomeric	NOUN
eurjchem-1713	64	2	and	and	CCONJ
eurjchem-1713	64	3	ihb	ihb	PRON
eurjchem-1713	64	4	strength	strength	NOUN
eurjchem-1713	64	5	cis	cis	NOUN
eurjchem-1713	64	6	-	-	PUNCT
eurjchem-1713	64	7	enol	enol	NOUN
eurjchem-1713	64	8	forms	form	NOUN
eurjchem-1713	64	9	of	of	ADP
eurjchem-1713	64	10	β	β	NOUN
eurjchem-1713	64	11	-	-	NOUN
eurjchem-1713	64	12	dicarbonyl	dicarbonyl	ADJ
eurjchem-1713	64	13	compounds	compound	NOUN
eurjchem-1713	64	14	stabilized	stabilize	VERB
eurjchem-1713	64	15	by	by	ADP
eurjchem-1713	64	16	an	an	DET
eurjchem-1713	64	17	intramolecular	intramolecular	ADJ
eurjchem-1713	64	18	hydrogen	hydrogen	NOUN
eurjchem-1713	64	19	bond	bond	NOUN
eurjchem-1713	64	20	.	.	PUNCT
eurjchem-1713	65	1	in	in	ADP
eurjchem-1713	65	2	asymmetric	asymmetric	ADJ
eurjchem-1713	65	3	β	β	NOUN
eurjchem-1713	65	4	-	-	NOUN
eurjchem-1713	65	5	diketones	diketone	NOUN
eurjchem-1713	65	6	two	two	NUM
eurjchem-1713	65	7	different	different	ADJ
eurjchem-1713	65	8	cis	cis	NOUN
eurjchem-1713	65	9	-	-	PUNCT
eurjchem-1713	65	10	enol	enol	NOUN
eurjchem-1713	65	11	forms	form	NOUN
eurjchem-1713	65	12	are	be	AUX
eurjchem-1713	65	13	noticeable	noticeable	ADJ
eurjchem-1713	65	14	,	,	PUNCT
eurjchem-1713	65	15	such	such	ADJ
eurjchem-1713	65	16	as	as	ADP
eurjchem-1713	65	17	titled	title	VERB
eurjchem-1713	65	18	molecules	molecule	NOUN
eurjchem-1713	65	19	(	(	PUNCT
eurjchem-1713	65	20	figure	figure	NOUN
eurjchem-1713	65	21	1	1	NUM
eurjchem-1713	65	22	)	)	PUNCT
eurjchem-1713	65	23	.	.	PUNCT
eurjchem-1713	66	1	according	accord	VERB
eurjchem-1713	66	2	to	to	ADP
eurjchem-1713	66	3	this	this	DET
eurjchem-1713	66	4	figure	figure	NOUN
eurjchem-1713	66	5	,	,	PUNCT
eurjchem-1713	66	6	in	in	ADP
eurjchem-1713	66	7	the	the	DET
eurjchem-1713	66	8	x	x	NOUN
eurjchem-1713	66	9	-	-	PUNCT
eurjchem-1713	66	10	adm-4	adm-4	NUM
eurjchem-1713	66	11	and	and	CCONJ
eurjchem-1713	66	12	xtfba-4	xtfba-4	NUM
eurjchem-1713	66	13	,	,	PUNCT
eurjchem-1713	66	14	the	the	DET
eurjchem-1713	66	15	phenyl	phenyl	NOUN
eurjchem-1713	66	16	group	group	NOUN
eurjchem-1713	66	17	and	and	CCONJ
eurjchem-1713	66	18	hydroxyl	hydroxyl	NOUN
eurjchem-1713	66	19	group	group	NOUN
eurjchem-1713	66	20	are	be	AUX
eurjchem-1713	66	21	adjacent	adjacent	ADJ
eurjchem-1713	66	22	,	,	PUNCT
eurjchem-1713	66	23	were	be	AUX
eurjchem-1713	66	24	the	the	DET
eurjchem-1713	66	25	phenyl	phenyl	NOUN
eurjchem-1713	66	26	group	group	NOUN
eurjchem-1713	66	27	,	,	PUNCT
eurjchem-1713	66	28	c	c	PROPN
eurjchem-1713	66	29	=	=	SYM
eurjchem-1713	66	30	c	c	NOUN
eurjchem-1713	66	31	,	,	PUNCT
eurjchem-1713	66	32	and	and	CCONJ
eurjchem-1713	66	33	c	c	X
eurjchem-1713	66	34	=	=	NOUN
eurjchem-1713	66	35	o	o	AUX
eurjchem-1713	66	36	creating	create	VERB
eurjchem-1713	66	37	a	a	DET
eurjchem-1713	66	38	longer	long	ADJ
eurjchem-1713	66	39	conjugate	conjugate	ADJ
eurjchem-1713	66	40	system	system	NOUN
eurjchem-1713	66	41	is	be	AUX
eurjchem-1713	66	42	expected	expect	VERB
eurjchem-1713	66	43	,	,	PUNCT
eurjchem-1713	66	44	while	while	SCONJ
eurjchem-1713	66	45	in	in	ADP
eurjchem-1713	66	46	x	x	NOUN
eurjchem-1713	66	47	-	-	PUNCT
eurjchem-1713	66	48	tfba-2	tfba-2	NUM
eurjchem-1713	66	49	and	and	CCONJ
eurjchem-1713	66	50	x	x	NOUN
eurjchem-1713	66	51	-	-	NOUN
eurjchem-1713	66	52	adm-2	adm-2	NOUN
eurjchem-1713	66	53	,	,	PUNCT
eurjchem-1713	66	54	which	which	PRON
eurjchem-1713	66	55	ph	ph	VERB
eurjchem-1713	66	56	and	and	CCONJ
eurjchem-1713	66	57	c	c	NOUN
eurjchem-1713	66	58	=	=	NOUN
eurjchem-1713	66	59	o	o	NOUN
eurjchem-1713	66	60	are	be	AUX
eurjchem-1713	66	61	neighbored	neighbor	VERB
eurjchem-1713	66	62	,	,	PUNCT
eurjchem-1713	66	63	a	a	DET
eurjchem-1713	66	64	conjugation	conjugation	NOUN
eurjchem-1713	66	65	between	between	ADP
eurjchem-1713	66	66	ph	ph	PROPN
eurjchem-1713	66	67	and	and	CCONJ
eurjchem-1713	66	68	c	c	NOUN
eurjchem-1713	66	69	=	=	NOUN
eurjchem-1713	66	70	o	o	NOUN
eurjchem-1713	66	71	can	can	AUX
eurjchem-1713	66	72	occur	occur	VERB
eurjchem-1713	66	73	,	,	PUNCT
eurjchem-1713	66	74	as	as	SCONJ
eurjchem-1713	66	75	reported	report	VERB
eurjchem-1713	66	76	by	by	ADP
eurjchem-1713	66	77	afzali	afzali	PROPN
eurjchem-1713	66	78	et	et	PROPN
eurjchem-1713	66	79	al	al	PROPN
eurjchem-1713	66	80	.	.	PUNCT
eurjchem-1713	67	1	[	[	X
eurjchem-1713	67	2	38	38	NUM
eurjchem-1713	67	3	]	]	PUNCT
eurjchem-1713	67	4	and	and	CCONJ
eurjchem-1713	67	5	tayyari	tayyari	PROPN
eurjchem-1713	67	6	et	et	PROPN
eurjchem-1713	67	7	al	al	PROPN
eurjchem-1713	67	8	.	.	PUNCT
eurjchem-1713	68	1	[	[	X
eurjchem-1713	68	2	39	39	NUM
eurjchem-1713	68	3	]	]	PUNCT
eurjchem-1713	68	4	.	.	PUNCT
eurjchem-1713	69	1	the	the	DET
eurjchem-1713	69	2	relative	relative	ADJ
eurjchem-1713	69	3	stabilities	stability	NOUN
eurjchem-1713	69	4	of	of	ADP
eurjchem-1713	69	5	the	the	DET
eurjchem-1713	69	6	mentioned	mention	VERB
eurjchem-1713	69	7	stable	stable	ADJ
eurjchem-1713	69	8	forms	form	NOUN
eurjchem-1713	69	9	of	of	ADP
eurjchem-1713	69	10	the	the	DET
eurjchem-1713	69	11	titled	title	VERB
eurjchem-1713	69	12	molecules	molecule	NOUN
eurjchem-1713	69	13	,	,	PUNCT
eurjchem-1713	69	14	along	along	ADP
eurjchem-1713	69	15	with	with	ADP
eurjchem-1713	69	16	the	the	DET
eurjchem-1713	69	17	calculated	calculate	VERB
eurjchem-1713	69	18	and	and	CCONJ
eurjchem-1713	69	19	reported	report	VERB
eurjchem-1713	69	20	experimental	experimental	ADJ
eurjchem-1713	69	21	equilibrium	equilibrium	NOUN
eurjchem-1713	69	22	constants	constant	NOUN
eurjchem-1713	69	23	(	(	PUNCT
eurjchem-1713	69	24	keq	keq	PROPN
eurjchem-1713	69	25	)	)	PUNCT
eurjchem-1713	70	1	[	[	X
eurjchem-1713	70	2	21	21	NUM
eurjchem-1713	70	3	,	,	PUNCT
eurjchem-1713	70	4	40	40	NUM
eurjchem-1713	70	5	]	]	PUNCT
eurjchem-1713	70	6	,	,	PUNCT
eurjchem-1713	70	7	calculated	calculate	VERB
eurjchem-1713	70	8	at	at	ADP
eurjchem-1713	70	9	different	different	ADJ
eurjchem-1713	70	10	levels	level	NOUN
eurjchem-1713	70	11	of	of	ADP
eurjchem-1713	70	12	theory	theory	NOUN
eurjchem-1713	70	13	in	in	ADP
eurjchem-1713	70	14	the	the	DET
eurjchem-1713	70	15	gas	gas	NOUN
eurjchem-1713	70	16	phase	phase	NOUN
eurjchem-1713	70	17	and	and	CCONJ
eurjchem-1713	70	18	solutions	solution	NOUN
eurjchem-1713	70	19	,	,	PUNCT
eurjchem-1713	70	20	are	be	AUX
eurjchem-1713	70	21	listed	list	VERB
eurjchem-1713	70	22	in	in	ADP
eurjchem-1713	70	23	tables	table	NOUN
eurjchem-1713	70	24	1	1	NUM
eurjchem-1713	70	25	and	and	CCONJ
eurjchem-1713	70	26	2	2	NUM
eurjchem-1713	70	27	.	.	PUNCT
eurjchem-1713	70	28	according	accord	VERB
eurjchem-1713	70	29	to	to	ADP
eurjchem-1713	70	30	these	these	DET
eurjchem-1713	70	31	values	value	NOUN
eurjchem-1713	70	32	,	,	PUNCT
eurjchem-1713	70	33	the	the	DET
eurjchem-1713	70	34	cis	cis	NOUN
eurjchem-1713	70	35	-	-	PUNCT
eurjchem-1713	70	36	enol4	enol4	VERB
eurjchem-1713	70	37	and	and	CCONJ
eurjchem-1713	70	38	cis	cis	NOUN
eurjchem-1713	70	39	-	-	PUNCT
eurjchem-1713	70	40	enol-2	enol-2	NUM
eurjchem-1713	70	41	forms	form	NOUN
eurjchem-1713	70	42	in	in	ADP
eurjchem-1713	70	43	the	the	DET
eurjchem-1713	70	44	x	x	NOUN
eurjchem-1713	70	45	-	-	PUNCT
eurjchem-1713	70	46	tfba	tfba	ADJ
eurjchem-1713	70	47	and	and	CCONJ
eurjchem-1713	70	48	x	x	NOUN
eurjchem-1713	70	49	-	-	NOUN
eurjchem-1713	70	50	adm	adm	PROPN
eurjchem-1713	70	51	molecules	molecule	NOUN
eurjchem-1713	70	52	are	be	AUX
eurjchem-1713	70	53	the	the	DET
eurjchem-1713	70	54	most	most	ADV
eurjchem-1713	70	55	stable	stable	ADJ
eurjchem-1713	70	56	forms	form	NOUN
eurjchem-1713	70	57	,	,	PUNCT
eurjchem-1713	70	58	respectively	respectively	ADV
eurjchem-1713	70	59	.	.	PUNCT
eurjchem-1713	71	1	the	the	DET
eurjchem-1713	71	2	values	value	NOUN
eurjchem-1713	71	3	show	show	VERB
eurjchem-1713	71	4	,	,	PUNCT
eurjchem-1713	71	5	the	the	DET
eurjchem-1713	71	6	energy	energy	NOUN
eurjchem-1713	71	7	differences	difference	NOUN
eurjchem-1713	71	8	between	between	ADP
eurjchem-1713	71	9	the	the	DET
eurjchem-1713	71	10	stable	stable	ADJ
eurjchem-1713	71	11	cis	cis	NOUN
eurjchem-1713	71	12	-	-	PUNCT
eurjchem-1713	71	13	enol	enol	NOUN
eurjchem-1713	71	14	forms	form	NOUN
eurjchem-1713	71	15	of	of	ADP
eurjchem-1713	71	16	xtfba	xtfba	NOUN
eurjchem-1713	71	17	are	be	AUX
eurjchem-1713	71	18	in	in	ADP
eurjchem-1713	71	19	the	the	DET
eurjchem-1713	71	20	range	range	NOUN
eurjchem-1713	71	21	:	:	PUNCT
eurjchem-1713	71	22	0.04	0.04	NUM
eurjchem-1713	71	23	-	-	SYM
eurjchem-1713	71	24	1.19	1.19	NUM
eurjchem-1713	71	25	,	,	PUNCT
eurjchem-1713	71	26	1.01	1.01	NUM
eurjchem-1713	71	27	-	-	SYM
eurjchem-1713	71	28	1.39	1.39	NUM
eurjchem-1713	71	29	,	,	PUNCT
eurjchem-1713	71	30	1.28	1.28	NUM
eurjchem-1713	71	31	-	-	SYM
eurjchem-1713	71	32	2.27	2.27	NUM
eurjchem-1713	71	33	,	,	PUNCT
eurjchem-1713	71	34	and	and	CCONJ
eurjchem-1713	71	35	1.27	1.27	NUM
eurjchem-1713	71	36	-	-	SYM
eurjchem-1713	71	37	1.82	1.82	NUM
eurjchem-1713	71	38	,	,	PUNCT
eurjchem-1713	71	39	and	and	CCONJ
eurjchem-1713	71	40	for	for	ADP
eurjchem-1713	71	41	x	x	NOUN
eurjchem-1713	71	42	-	-	PUNCT
eurjchem-1713	71	43	adm	adm	PROPN
eurjchem-1713	71	44	are	be	AUX
eurjchem-1713	71	45	0.16	0.16	NUM
eurjchem-1713	71	46	-	-	SYM
eurjchem-1713	71	47	0.64	0.64	NUM
eurjchem-1713	71	48	,	,	PUNCT
eurjchem-1713	71	49	0.26	0.26	NUM
eurjchem-1713	71	50	-	-	SYM
eurjchem-1713	71	51	0.67	0.67	NUM
eurjchem-1713	71	52	,	,	PUNCT
eurjchem-1713	71	53	0.10	0.10	NUM
eurjchem-1713	71	54	-	-	SYM
eurjchem-1713	71	55	0.50	0.50	NUM
eurjchem-1713	71	56	,	,	PUNCT
eurjchem-1713	71	57	and	and	CCONJ
eurjchem-1713	71	58	0.10	0.10	NUM
eurjchem-1713	71	59	-	-	SYM
eurjchem-1713	71	60	0.42	0.42	NUM
eurjchem-1713	71	61	kcal	kcal	NOUN
eurjchem-1713	71	62	/	/	SYM
eurjchem-1713	71	63	mol	mol	NOUN
eurjchem-1713	71	64	both	both	CCONJ
eurjchem-1713	71	65	in	in	ADP
eurjchem-1713	71	66	the	the	DET
eurjchem-1713	71	67	gas	gas	NOUN
eurjchem-1713	71	68	phase	phase	NOUN
eurjchem-1713	71	69	and	and	CCONJ
eurjchem-1713	71	70	in	in	ADP
eurjchem-1713	71	71	ccl4	ccl4	PROPN
eurjchem-1713	71	72	,	,	PUNCT
eurjchem-1713	71	73	ch3cn	ch3cn	NUM
eurjchem-1713	71	74	,	,	PUNCT
eurjchem-1713	71	75	c2h5oh	c2h5oh	ADJ
eurjchem-1713	71	76	solutions	solution	NOUN
eurjchem-1713	71	77	,	,	PUNCT
eurjchem-1713	71	78	respectively	respectively	ADV
eurjchem-1713	71	79	.	.	PUNCT
eurjchem-1713	72	1	upon	upon	SCONJ
eurjchem-1713	72	2	zero	zero	NUM
eurjchem-1713	72	3	-	-	PUNCT
eurjchem-1713	72	4	point	point	NOUN
eurjchem-1713	72	5	energy	energy	NOUN
eurjchem-1713	72	6	(	(	PUNCT
eurjchem-1713	72	7	zpe	zpe	NOUN
eurjchem-1713	72	8	)	)	PUNCT
eurjchem-1713	72	9	corrections	correction	NOUN
eurjchem-1713	72	10	,	,	PUNCT
eurjchem-1713	72	11	these	these	DET
eurjchem-1713	72	12	energy	energy	NOUN
eurjchem-1713	72	13	differences	difference	NOUN
eurjchem-1713	72	14	reduce	reduce	VERB
eurjchem-1713	72	15	to	to	ADP
eurjchem-1713	72	16	0.36	0.36	NUM
eurjchem-1713	72	17	-	-	SYM
eurjchem-1713	72	18	1.08	1.08	NUM
eurjchem-1713	72	19	,	,	PUNCT
eurjchem-1713	72	20	0.93	0.93	NUM
eurjchem-1713	72	21	-	-	SYM
eurjchem-1713	72	22	1.31	1.31	NUM
eurjchem-1713	72	23	,	,	PUNCT
eurjchem-1713	72	24	1.17	1.17	NUM
eurjchem-1713	72	25	-	-	SYM
eurjchem-1713	72	26	1.72	1.72	NUM
eurjchem-1713	72	27	,	,	PUNCT
eurjchem-1713	72	28	and	and	CCONJ
eurjchem-1713	72	29	1.17	1.17	NUM
eurjchem-1713	72	30	-	-	SYM
eurjchem-1713	72	31	1.71	1.71	NUM
eurjchem-1713	72	32	for	for	ADP
eurjchem-1713	72	33	x	x	NOUN
eurjchem-1713	72	34	-	-	PUNCT
eurjchem-1713	72	35	tfba	tfba	ADJ
eurjchem-1713	72	36	,	,	PUNCT
eurjchem-1713	72	37	and	and	CCONJ
eurjchem-1713	72	38	0.02	0.02	NUM
eurjchem-1713	72	39	-	-	SYM
eurjchem-1713	72	40	0.48	0.48	NUM
eurjchem-1713	72	41	,	,	PUNCT
eurjchem-1713	72	42	0.06	0.06	NUM
eurjchem-1713	72	43	-	-	SYM
eurjchem-1713	72	44	0.43	0.43	NUM
eurjchem-1713	72	45	,	,	PUNCT
eurjchem-1713	72	46	0.03	0.03	NUM
eurjchem-1713	72	47	-	-	SYM
eurjchem-1713	72	48	0.21	0.21	NUM
eurjchem-1713	72	49	,	,	PUNCT
eurjchem-1713	72	50	and	and	CCONJ
eurjchem-1713	72	51	0.03	0.03	NUM
eurjchem-1713	72	52	-	-	SYM
eurjchem-1713	72	53	0.18	0.18	NUM
eurjchem-1713	72	54	kcal	kcal	NOUN
eurjchem-1713	72	55	/	/	SYM
eurjchem-1713	72	56	mol	mol	NOUN
eurjchem-1713	72	57	for	for	ADP
eurjchem-1713	72	58	xadm	xadm	PROPN
eurjchem-1713	72	59	,	,	PUNCT
eurjchem-1713	72	60	respectively	respectively	ADV
eurjchem-1713	72	61	.	.	PUNCT
eurjchem-1713	73	1	therefore	therefore	ADV
eurjchem-1713	73	2	,	,	PUNCT
eurjchem-1713	73	3	coexisting	coexisting	NOUN
eurjchem-1713	73	4	of	of	ADP
eurjchem-1713	73	5	the	the	DET
eurjchem-1713	73	6	these	these	DET
eurjchem-1713	73	7	twostable	twostable	ADJ
eurjchem-1713	73	8	forms	form	NOUN
eurjchem-1713	73	9	of	of	ADP
eurjchem-1713	73	10	x	x	NOUN
eurjchem-1713	73	11	-	-	PUNCT
eurjchem-1713	73	12	tfba	tfba	ADJ
eurjchem-1713	73	13	and	and	CCONJ
eurjchem-1713	73	14	x	x	NOUN
eurjchem-1713	73	15	-	-	PUNCT
eurjchem-1713	73	16	adm	adm	NOUN
eurjchem-1713	73	17	in	in	ADP
eurjchem-1713	73	18	the	the	DET
eurjchem-1713	73	19	samples	sample	NOUN
eurjchem-1713	73	20	are	be	AUX
eurjchem-1713	73	21	expected	expect	VERB
eurjchem-1713	73	22	,	,	PUNCT
eurjchem-1713	73	23	which	which	PRON
eurjchem-1713	73	24	is	be	AUX
eurjchem-1713	73	25	in	in	ADP
eurjchem-1713	73	26	agreement	agreement	NOUN
eurjchem-1713	73	27	with	with	ADP
eurjchem-1713	73	28	the	the	DET
eurjchem-1713	73	29	reported	report	VERB
eurjchem-1713	73	30	experimental	experimental	ADJ
eurjchem-1713	73	31	equilibrium	equilibrium	NOUN
eurjchem-1713	73	32	constants	constant	NOUN
eurjchem-1713	73	33	.	.	PUNCT
eurjchem-1713	74	1	so	so	ADV
eurjchem-1713	74	2	,	,	PUNCT
eurjchem-1713	74	3	according	accord	VERB
eurjchem-1713	74	4	to	to	ADP
eurjchem-1713	74	5	these	these	DET
eurjchem-1713	74	6	values	value	NOUN
eurjchem-1713	74	7	there	there	PRON
eurjchem-1713	74	8	is	be	VERB
eurjchem-1713	74	9	no	no	DET
eurjchem-1713	74	10	significant	significant	ADJ
eurjchem-1713	74	11	difference	difference	NOUN
eurjchem-1713	74	12	between	between	ADP
eurjchem-1713	74	13	reported	report	VERB
eurjchem-1713	74	14	experimental	experimental	ADJ
eurjchem-1713	74	15	and	and	CCONJ
eurjchem-1713	74	16	theoretical	theoretical	ADJ
eurjchem-1713	74	17	equilibrium	equilibrium	NOUN
eurjchem-1713	74	18	constants	constant	NOUN
eurjchem-1713	74	19	,	,	PUNCT
eurjchem-1713	74	20	keq	keq	PROPN
eurjchem-1713	74	21	.	.	PUNCT
eurjchem-1713	75	1	we	we	PRON
eurjchem-1713	75	2	obtained	obtain	VERB
eurjchem-1713	75	3	the	the	DET
eurjchem-1713	75	4	calculated	calculated	ADJ
eurjchem-1713	75	5	equilibrium	equilibrium	NOUN
eurjchem-1713	75	6	constants	constant	NOUN
eurjchem-1713	75	7	by	by	ADP
eurjchem-1713	75	8	equation	equation	NOUN
eurjchem-1713	75	9	(	(	PUNCT
eurjchem-1713	75	10	1	1	NUM
eurjchem-1713	75	11	)	)	PUNCT
eurjchem-1713	75	12	,	,	PUNCT
eurjchem-1713	75	13	∆g	∆g	PROPN
eurjchem-1713	75	14	°	°	PROPN
eurjchem-1713	75	15	=	=	SYM
eurjchem-1713	75	16	-rtln(keq	-rtln(keq	NOUN
eurjchem-1713	75	17	)	)	PUNCT
eurjchem-1713	75	18	(	(	PUNCT
eurjchem-1713	75	19	1	1	X
eurjchem-1713	75	20	)	)	PUNCT
eurjchem-1713	75	21	2018	2018	NUM
eurjchem-1713	75	22	–	–	PUNCT
eurjchem-1713	75	23	european	european	ADJ
eurjchem-1713	75	24	journal	journal	NOUN
eurjchem-1713	75	25	of	of	ADP
eurjchem-1713	75	26	chemistry	chemistry	NOUN
eurjchem-1713	75	27	–	–	PUNCT
eurjchem-1713	75	28	cc	cc	NOUN
eurjchem-1713	75	29	by	by	ADP
eurjchem-1713	75	30	nc	nc	PROPN
eurjchem-1713	75	31	–	–	PUNCT
eurjchem-1713	75	32	doi	doi	NOUN
eurjchem-1713	75	33	:	:	PUNCT
eurjchem-1713	75	34	10.5155	10.5155	NUM
eurjchem-1713	75	35	/	/	SYM
eurjchem-1713	75	36	eurjchem.9.3.213	eurjchem.9.3.213	PROPN
eurjchem-1713	75	37	-	-	SYM
eurjchem-1713	75	38	221.1713	221.1713	NUM
eurjchem-1713	75	39	darugar	darugar	NOUN
eurjchem-1713	75	40	et	et	PROPN
eurjchem-1713	75	41	al	al	PROPN
eurjchem-1713	75	42	.	.	PUNCT
eurjchem-1713	75	43	/	/	SYM
eurjchem-1713	75	44	european	european	PROPN
eurjchem-1713	75	45	journal	journal	PROPN
eurjchem-1713	75	46	of	of	ADP
eurjchem-1713	75	47	chemistry	chemistry	NOUN
eurjchem-1713	75	48	9	9	NUM
eurjchem-1713	75	49	(	(	PUNCT
eurjchem-1713	75	50	3	3	NUM
eurjchem-1713	75	51	)	)	PUNCT
eurjchem-1713	75	52	(	(	PUNCT
eurjchem-1713	75	53	2018	2018	NUM
eurjchem-1713	75	54	)	)	PUNCT
eurjchem-1713	75	55	213	213	NUM
eurjchem-1713	75	56	-	-	SYM
eurjchem-1713	75	57	221	221	NUM
eurjchem-1713	75	58	215	215	NUM
eurjchem-1713	75	59	table	table	NOUN
eurjchem-1713	75	60	2	2	NUM
eurjchem-1713	75	61	.	.	PUNCT
eurjchem-1713	75	62	calculated	calculate	VERB
eurjchem-1713	75	63	relative	relative	ADJ
eurjchem-1713	75	64	energies	energy	NOUN
eurjchem-1713	75	65	of	of	ADP
eurjchem-1713	75	66	x	x	NOUN
eurjchem-1713	75	67	-	-	PUNCT
eurjchem-1713	75	68	adm-4	adm-4	PUNCT
eurjchem-1713	75	69	with	with	ADP
eurjchem-1713	75	70	respect	respect	NOUN
eurjchem-1713	75	71	to	to	ADP
eurjchem-1713	75	72	x	x	NOUN
eurjchem-1713	75	73	-	-	PUNCT
eurjchem-1713	75	74	adm-2	adm-2	NOUN
eurjchem-1713	75	75	,	,	PUNCT
eurjchem-1713	75	76	as	as	ADP
eurjchem-1713	75	77	the	the	DET
eurjchem-1713	75	78	most	most	ADV
eurjchem-1713	75	79	stable	stable	ADJ
eurjchem-1713	75	80	form	form	NOUN
eurjchem-1713	75	81	,	,	PUNCT
eurjchem-1713	75	82	in	in	ADP
eurjchem-1713	75	83	gas	gas	NOUN
eurjchem-1713	75	84	phase	phase	NOUN
eurjchem-1713	75	85	and	and	CCONJ
eurjchem-1713	75	86	in	in	ADP
eurjchem-1713	75	87	solution	solution	NOUN
eurjchem-1713	75	88	(	(	PUNCT
eurjchem-1713	75	89	in	in	ADP
eurjchem-1713	75	90	kcal	kcal	PROPN
eurjchem-1713	75	91	/	/	SYM
eurjchem-1713	75	92	mol	mol	NOUN
eurjchem-1713	75	93	)	)	PUNCT
eurjchem-1713	75	94	,	,	PUNCT
eurjchem-1713	75	95	and	and	CCONJ
eurjchem-1713	75	96	theoretical	theoretical	ADJ
eurjchem-1713	75	97	and	and	CCONJ
eurjchem-1713	75	98	experimental	experimental	ADJ
eurjchem-1713	75	99	equilibrium	equilibrium	NOUN
eurjchem-1713	75	100	constants	constant	NOUN
eurjchem-1713	75	101	between	between	ADP
eurjchem-1713	75	102	x	x	NOUN
eurjchem-1713	75	103	-	-	PUNCT
eurjchem-1713	75	104	adm-2	adm-2	ADJ
eurjchem-1713	75	105	⇌	⇌	PROPN
eurjchem-1713	75	106	x	x	PROPN
eurjchem-1713	75	107	-	-	PUNCT
eurjchem-1713	75	108	adm-4	adm-4	PRON
eurjchem-1713	75	109	a.	a.	NOUN
eurjchem-1713	75	110	calculation	calculation	NOUN
eurjchem-1713	75	111	level	level	NOUN
eurjchem-1713	75	112	adm-4	adm-4	PUNCT
eurjchem-1713	75	113	cl	cl	NOUN
eurjchem-1713	75	114	-	-	PUNCT
eurjchem-1713	75	115	adm-4	adm-4	CCONJ
eurjchem-1713	75	116	f	f	PROPN
eurjchem-1713	75	117	-	-	PUNCT
eurjchem-1713	75	118	adm-4	adm-4	PRON
eurjchem-1713	75	119	ch3	ch3	PROPN
eurjchem-1713	75	120	-	-	PUNCT
eurjchem-1713	75	121	adm-4	adm-4	CCONJ
eurjchem-1713	75	122	och3	och3	ADJ
eurjchem-1713	75	123	-	-	PUNCT
eurjchem-1713	75	124	adm-4	adm-4	PRON
eurjchem-1713	75	125	nh2	nh2	NOUN
eurjchem-1713	75	126	-	-	PUNCT
eurjchem-1713	75	127	adm-4	adm-4	CCONJ
eurjchem-1713	75	128	no2	no2	NOUN
eurjchem-1713	75	129	-	-	PUNCT
eurjchem-1713	75	130	adm-4	adm-4	NUM
eurjchem-1713	75	131	cf3	cf3	NOUN
eurjchem-1713	75	132	-	-	PUNCT
eurjchem-1713	75	133	adm-4	adm-4	NUM
eurjchem-1713	75	134	a/6	a/6	NOUN
eurjchem-1713	75	135	-	-	SYM
eurjchem-1713	75	136	311++g	311++g	NOUN
eurjchem-1713	75	137	*	*	NOUN
eurjchem-1713	75	138	*	*	NOUN
eurjchem-1713	75	139	0.32(0.04	0.32(0.04	NOUN
eurjchem-1713	75	140	)	)	PUNCT
eurjchem-1713	75	141	0.47(0.08	0.47(0.08	NUM
eurjchem-1713	75	142	)	)	PUNCT
eurjchem-1713	75	143	0.55(0.16	0.55(0.16	NUM
eurjchem-1713	75	144	)	)	PUNCT
eurjchem-1713	75	145	0.35(0.20	0.35(0.20	NUM
eurjchem-1713	75	146	)	)	PUNCT
eurjchem-1713	75	147	0.64(0.48	0.64(0.48	NUM
eurjchem-1713	75	148	)	)	PUNCT
eurjchem-1713	75	149	0.38(0.17	0.38(0.17	NUM
eurjchem-1713	75	150	)	)	PUNCT
eurjchem-1713	75	151	0.54(0.27	0.54(0.27	NUM
eurjchem-1713	75	152	)	)	PUNCT
eurjchem-1713	75	153	0.51(0.34	0.51(0.34	NOUN
eurjchem-1713	75	154	)	)	PUNCT
eurjchem-1713	75	155	a	a	DET
eurjchem-1713	75	156	/6	/6	NOUN
eurjchem-1713	75	157	-	-	PUNCT
eurjchem-1713	75	158	311	311	NUM
eurjchem-1713	75	159	g	g	NOUN
eurjchem-1713	75	160	*	*	PROPN
eurjchem-1713	75	161	*	*	NOUN
eurjchem-1713	75	162	0.23(0.12	0.23(0.12	NUM
eurjchem-1713	75	163	)	)	PUNCT
eurjchem-1713	75	164	0.39(0.02	0.39(0.02	NUM
eurjchem-1713	75	165	)	)	PUNCT
eurjchem-1713	75	166	0.51(0.08	0.51(0.08	NUM
eurjchem-1713	75	167	)	)	PUNCT
eurjchem-1713	75	168	0.25(0.21	0.25(0.21	NUM
eurjchem-1713	75	169	)	)	PUNCT
eurjchem-1713	75	170	0.56(0.36	0.56(0.36	NUM
eurjchem-1713	75	171	)	)	PUNCT
eurjchem-1713	75	172	0.33(0.15	0.33(0.15	X
eurjchem-1713	75	173	)	)	PUNCT
eurjchem-1713	75	174	0.41(0.22	0.41(0.22	NOUN
eurjchem-1713	75	175	)	)	PUNCT
eurjchem-1713	75	176	0.46(0.23	0.46(0.23	NUM
eurjchem-1713	75	177	)	)	PUNCT
eurjchem-1713	75	178	a	a	DET
eurjchem-1713	75	179	/6	/6	NOUN
eurjchem-1713	75	180	-	-	PUNCT
eurjchem-1713	75	181	31	31	NUM
eurjchem-1713	75	182	g	g	NOUN
eurjchem-1713	75	183	*	*	PROPN
eurjchem-1713	75	184	*	*	NOUN
eurjchem-1713	75	185	0.18(0.15	0.18(0.15	NOUN
eurjchem-1713	75	186	)	)	PUNCT
eurjchem-1713	75	187	0.33(0.02	0.33(0.02	NUM
eurjchem-1713	75	188	)	)	PUNCT
eurjchem-1713	75	189	0.50(0.07	0.50(0.07	NUM
eurjchem-1713	75	190	)	)	PUNCT
eurjchem-1713	75	191	0.21(0.11	0.21(0.11	PUNCT
eurjchem-1713	75	192	)	)	PUNCT
eurjchem-1713	75	193	0.32(0.23	0.32(0.23	NUM
eurjchem-1713	75	194	)	)	PUNCT
eurjchem-1713	75	195	0.25(0.11	0.25(0.11	PUNCT
eurjchem-1713	75	196	)	)	PUNCT
eurjchem-1713	75	197	0.24(0.18	0.24(0.18	NUM
eurjchem-1713	75	198	)	)	PUNCT
eurjchem-1713	75	199	0.27(0.14	0.27(0.14	NUM
eurjchem-1713	75	200	)	)	PUNCT
eurjchem-1713	75	201	b	b	NOUN
eurjchem-1713	75	202	/6	/6	NOUN
eurjchem-1713	75	203	-	-	PUNCT
eurjchem-1713	75	204	31	31	NUM
eurjchem-1713	75	205	g	g	NOUN
eurjchem-1713	75	206	*	*	PROPN
eurjchem-1713	75	207	*	*	NOUN
eurjchem-1713	75	208	0.17	0.17	NUM
eurjchem-1713	75	209	0.36	0.36	NUM
eurjchem-1713	75	210	0.49	0.49	NUM
eurjchem-1713	75	211	0.21	0.21	NUM
eurjchem-1713	75	212	0.43	0.43	NUM
eurjchem-1713	75	213	0.45	0.45	NUM
eurjchem-1713	75	214	0.35	0.35	NUM
eurjchem-1713	75	215	0.33	0.33	NUM
eurjchem-1713	75	216	c	c	NOUN
eurjchem-1713	75	217	/6	/6	PUNCT
eurjchem-1713	75	218	-	-	PUNCT
eurjchem-1713	75	219	311++g	311++g	PROPN
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eurjchem-1713	75	221	*	*	NOUN
eurjchem-1713	75	222	0.18	0.18	NUM
eurjchem-1713	75	223	0.36	0.36	NUM
eurjchem-1713	75	224	0.45	0.45	NUM
eurjchem-1713	75	225	0.17	0.17	NUM
eurjchem-1713	75	226	0.20	0.20	NUM
eurjchem-1713	75	227	0.23	0.23	NUM
eurjchem-1713	75	228	0.16	0.16	NUM
eurjchem-1713	75	229	0.19	0.19	NUM
eurjchem-1713	75	230	ccl4	ccl4	PROPN
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eurjchem-1713	75	232	)	)	PUNCT
eurjchem-1713	75	233	0.40(0.30	0.40(0.30	NOUN
eurjchem-1713	75	234	)	)	PUNCT
eurjchem-1713	75	235	0.28(0.09	0.28(0.09	NUM
eurjchem-1713	75	236	)	)	PUNCT
eurjchem-1713	75	237	0.67(0.43	0.67(0.43	NUM
eurjchem-1713	75	238	)	)	PUNCT
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eurjchem-1713	75	240	)	)	PUNCT
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eurjchem-1713	75	242	)	)	PUNCT
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eurjchem-1713	75	244	)	)	PUNCT
eurjchem-1713	75	245	0.30(0.29	0.30(0.29	NUM
eurjchem-1713	75	246	)	)	PUNCT
eurjchem-1713	75	247	ch3cn	ch3cn	NUM
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eurjchem-1713	75	249	)	)	PUNCT
eurjchem-1713	75	250	0.23(0.16	0.23(0.16	NUM
eurjchem-1713	75	251	)	)	PUNCT
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eurjchem-1713	75	253	)	)	PUNCT
eurjchem-1713	75	254	0.50(0.21	0.50(0.21	PROPN
eurjchem-1713	75	255	)	)	PUNCT
eurjchem-1713	75	256	0.32(0.03	0.32(0.03	NUM
eurjchem-1713	75	257	)	)	PUNCT
eurjchem-1713	75	258	0.26(0.15	0.26(0.15	NUM
eurjchem-1713	75	259	)	)	PUNCT
eurjchem-1713	75	260	0.43(0.20	0.43(0.20	NUM
eurjchem-1713	75	261	)	)	PUNCT
eurjchem-1713	75	262	0.26(0.21	0.26(0.21	NUM
eurjchem-1713	75	263	)	)	PUNCT
eurjchem-1713	75	264	c2h5oh	c2h5oh	NOUN
eurjchem-1713	75	265	0.10(0.04	0.10(0.04	NUM
eurjchem-1713	75	266	)	)	PUNCT
eurjchem-1713	75	267	0.17(0.10	0.17(0.10	NUM
eurjchem-1713	75	268	)	)	PUNCT
eurjchem-1713	75	269	0.10(0.08	0.10(0.08	NUM
eurjchem-1713	75	270	)	)	PUNCT
eurjchem-1713	75	271	0.38(0.14	0.38(0.14	NOUN
eurjchem-1713	75	272	)	)	PUNCT
eurjchem-1713	75	273	0.32(0.03	0.32(0.03	NUM
eurjchem-1713	75	274	)	)	PUNCT
eurjchem-1713	75	275	0.18(0.13	0.18(0.13	NUM
eurjchem-1713	75	276	)	)	PUNCT
eurjchem-1713	75	277	0.42(0.18	0.42(0.18	PUNCT
eurjchem-1713	75	278	)	)	PUNCT
eurjchem-1713	75	279	0.17(0.12	0.17(0.12	SYM
eurjchem-1713	75	280	)	)	PUNCT
eurjchem-1713	75	281	keq	keq	PROPN
eurjchem-1713	75	282	(	(	PUNCT
eurjchem-1713	75	283	exp	exp	NOUN
eurjchem-1713	75	284	.	.	PUNCT
eurjchem-1713	75	285	)	)	PUNCT
eurjchem-1713	76	1	b	b	X
eurjchem-1713	76	2	2.90	2.90	NUM
eurjchem-1713	76	3	(	(	PUNCT
eurjchem-1713	76	4	2.77	2.77	NUM
eurjchem-1713	76	5	)	)	PUNCT
eurjchem-1713	76	6	3.10	3.10	NUM
eurjchem-1713	76	7	(	(	PUNCT
eurjchem-1713	76	8	3.08	3.08	NUM
eurjchem-1713	76	9	)	)	PUNCT
eurjchem-1713	76	10	2.25	2.25	NUM
eurjchem-1713	76	11	(	(	PUNCT
eurjchem-1713	76	12	2.20	2.20	NUM
eurjchem-1713	76	13	)	)	PUNCT
eurjchem-1713	76	14	2.76	2.76	NUM
eurjchem-1713	76	15	(	(	PUNCT
eurjchem-1713	76	16	2.71	2.71	NUM
eurjchem-1713	76	17	)	)	PUNCT
eurjchem-1713	76	18	2.49	2.49	NUM
eurjchem-1713	76	19	(	(	PUNCT
eurjchem-1713	76	20	2.31	2.31	NUM
eurjchem-1713	76	21	)	)	PUNCT
eurjchem-1713	76	22	2.45	2.45	NUM
eurjchem-1713	76	23	(	(	PUNCT
eurjchem-1713	76	24	-	-	SYM
eurjchem-1713	76	25	)	)	PUNCT
eurjchem-1713	76	26	3.01(-	3.01(-	NUM
eurjchem-1713	76	27	)	)	PUNCT
eurjchem-1713	76	28	2.99	2.99	NUM
eurjchem-1713	76	29	(	(	PUNCT
eurjchem-1713	76	30	2.95	2.95	NUM
eurjchem-1713	76	31	)	)	PUNCT
eurjchem-1713	76	32	a	a	DET
eurjchem-1713	76	33	a	a	NOUN
eurjchem-1713	76	34	,	,	PUNCT
eurjchem-1713	76	35	b	b	NOUN
eurjchem-1713	76	36	,	,	PUNCT
eurjchem-1713	76	37	and	and	CCONJ
eurjchem-1713	76	38	c	c	NOUN
eurjchem-1713	76	39	are	be	AUX
eurjchem-1713	76	40	the	the	DET
eurjchem-1713	76	41	calculated	calculated	ADJ
eurjchem-1713	76	42	relative	relative	ADJ
eurjchem-1713	76	43	energies	energy	NOUN
eurjchem-1713	76	44	in	in	ADP
eurjchem-1713	76	45	gas	gas	NOUN
eurjchem-1713	76	46	phase	phase	NOUN
eurjchem-1713	76	47	at	at	ADP
eurjchem-1713	76	48	b3lyp	b3lyp	PROPN
eurjchem-1713	76	49	,	,	PUNCT
eurjchem-1713	76	50	mp2	mp2	PROPN
eurjchem-1713	76	51	,	,	PUNCT
eurjchem-1713	76	52	and	and	CCONJ
eurjchem-1713	76	53	tpssh	tpssh	NOUN
eurjchem-1713	76	54	levels	level	NOUN
eurjchem-1713	76	55	,	,	PUNCT
eurjchem-1713	76	56	respectively	respectively	ADV
eurjchem-1713	76	57	,	,	PUNCT
eurjchem-1713	76	58	the	the	DET
eurjchem-1713	76	59	values	value	NOUN
eurjchem-1713	76	60	of	of	ADP
eurjchem-1713	76	61	zpe	zpe	PROPN
eurjchem-1713	76	62	are	be	AUX
eurjchem-1713	76	63	in	in	ADP
eurjchem-1713	76	64	parentheses	parenthesis	NOUN
eurjchem-1713	76	65	.	.	PUNCT
eurjchem-1713	77	1	b	b	NOUN
eurjchem-1713	77	2	calculated	calculate	VERB
eurjchem-1713	77	3	equilibrium	equilibrium	NOUN
eurjchem-1713	77	4	constants	constant	NOUN
eurjchem-1713	77	5	are	be	AUX
eurjchem-1713	77	6	in	in	ADP
eurjchem-1713	77	7	gas	gas	NOUN
eurjchem-1713	77	8	phase	phase	NOUN
eurjchem-1713	77	9	at	at	ADP
eurjchem-1713	77	10	b3lyp/6	b3lyp/6	NOUN
eurjchem-1713	77	11	-	-	X
eurjchem-1713	77	12	311++g	311++g	ADJ
eurjchem-1713	77	13	*	*	NOUN
eurjchem-1713	77	14	*	*	NOUN
eurjchem-1713	77	15	level	level	NOUN
eurjchem-1713	77	16	of	of	ADP
eurjchem-1713	77	17	theory	theory	NOUN
eurjchem-1713	77	18	and	and	CCONJ
eurjchem-1713	77	19	experimental	experimental	ADJ
eurjchem-1713	77	20	equilibrium	equilibrium	NOUN
eurjchem-1713	77	21	constants	constant	NOUN
eurjchem-1713	77	22	are	be	AUX
eurjchem-1713	77	23	in	in	ADP
eurjchem-1713	77	24	parentheses	parenthesis	NOUN
eurjchem-1713	77	25	at	at	ADP
eurjchem-1713	77	26	20	20	NUM
eurjchem-1713	77	27	°	°	ADP
eurjchem-1713	77	28	c	c	NOUN
eurjchem-1713	77	29	from	from	ADP
eurjchem-1713	77	30	ref	ref	NOUN
eurjchem-1713	77	31	.	.	PUNCT
eurjchem-1713	78	1	[	[	X
eurjchem-1713	78	2	21	21	NUM
eurjchem-1713	78	3	]	]	PUNCT
eurjchem-1713	78	4	.	.	PUNCT
eurjchem-1713	79	1	table	table	NOUN
eurjchem-1713	79	2	3	3	NUM
eurjchem-1713	79	3	.	.	PUNCT
eurjchem-1713	80	1	some	some	DET
eurjchem-1713	80	2	theoretical	theoretical	ADJ
eurjchem-1713	80	3	and	and	CCONJ
eurjchem-1713	80	4	experimental	experimental	ADJ
eurjchem-1713	80	5	parameters	parameter	NOUN
eurjchem-1713	80	6	related	relate	VERB
eurjchem-1713	80	7	to	to	ADP
eurjchem-1713	80	8	the	the	DET
eurjchem-1713	80	9	hydrogen	hydrogen	NOUN
eurjchem-1713	80	10	bond	bond	NOUN
eurjchem-1713	80	11	strength	strength	NOUN
eurjchem-1713	80	12	for	for	ADP
eurjchem-1713	80	13	the	the	DET
eurjchem-1713	80	14	tfba-2/-4	tfba-2/-4	NOUN
eurjchem-1713	80	15	and	and	CCONJ
eurjchem-1713	80	16	adm-2/-4	adm-2/-4	PROPN
eurjchem-1713	80	17	molecules	molecule	NOUN
eurjchem-1713	80	18	and	and	CCONJ
eurjchem-1713	80	19	the	the	DET
eurjchem-1713	80	20	averaged	average	VERB
eurjchem-1713	80	21	values	value	NOUN
eurjchem-1713	80	22	.	.	PUNCT
eurjchem-1713	81	1	a	a	DET
eurjchem-1713	81	2	parameters	parameter	NOUN
eurjchem-1713	81	3	tfba	tfba	PROPN
eurjchem-1713	81	4	adm	adm	PROPN
eurjchem-1713	81	5	-2	-2	INTJ
eurjchem-1713	81	6	-4	-4	PROPN
eurjchem-1713	81	7	avg	avg	PROPN
eurjchem-1713	81	8	.	.	PUNCT
eurjchem-1713	82	1	-2	-2	INTJ
eurjchem-1713	82	2	-4	-4	X
eurjchem-1713	83	1	avg	avg	PROPN
eurjchem-1713	83	2	.	.	PUNCT
eurjchem-1713	84	1	x	x	X
eurjchem-1713	84	2	-	-	PUNCT
eurjchem-1713	84	3	ray	ray	NOUN
eurjchem-1713	84	4	e	e	PROPN
eurjchem-1713	84	5	δ	δ	PROPN
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eurjchem-1713	85	6	(	(	PUNCT
eurjchem-1713	85	7	15.20	15.20	NUM
eurjchem-1713	85	8	)	)	PUNCT
eurjchem-1713	85	9	15.67	15.67	NUM
eurjchem-1713	85	10	15.20	15.20	NUM
eurjchem-1713	85	11	15.44(16.09	15.44(16.09	NUM
eurjchem-1713	85	12	)	)	PUNCT
eurjchem-1713	86	1	ν	ν	NOUN
eurjchem-1713	86	2	oh	oh	NUM
eurjchem-1713	86	3	b	b	NOUN
eurjchem-1713	86	4	3036	3036	NUM
eurjchem-1713	86	5	3083	3083	NUM
eurjchem-1713	86	6	3060	3060	NUM
eurjchem-1713	86	7	3000	3000	NUM
eurjchem-1713	86	8	3036	3036	NUM
eurjchem-1713	86	9	3018	3018	NUM
eurjchem-1713	86	10	γ	γ	PROPN
eurjchem-1713	86	11	oh	oh	INTJ
eurjchem-1713	86	12	b	b	PROPN
eurjchem-1713	86	13	930	930	NUM
eurjchem-1713	86	14	937	937	NUM
eurjchem-1713	86	15	934	934	NUM
eurjchem-1713	86	16	995	995	NUM
eurjchem-1713	86	17	960	960	NUM
eurjchem-1713	86	18	978	978	NUM
eurjchem-1713	86	19	r	r	NOUN
eurjchem-1713	86	20	o	o	NOUN
eurjchem-1713	86	21	…	…	X
eurjchem-1713	86	22	o	o	X
eurjchem-1713	86	23	c	c	NOUN
eurjchem-1713	86	24	2.523	2.523	NUM
eurjchem-1713	86	25	2.542	2.542	NUM
eurjchem-1713	86	26	2.533	2.533	NUM
eurjchem-1713	86	27	2.519	2.519	NUM
eurjchem-1713	86	28	2.531	2.531	NUM
eurjchem-1713	86	29	2.525	2.525	NUM
eurjchem-1713	86	30	2.488	2.488	NUM
eurjchem-1713	86	31	r	r	NOUN
eurjchem-1713	86	32	o	o	NOUN
eurjchem-1713	86	33	-	-	NOUN
eurjchem-1713	86	34	h	h	NOUN
eurjchem-1713	86	35	c	c	NOUN
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eurjchem-1713	86	37	1.001	1.001	NUM
eurjchem-1713	86	38	1.004	1.004	NUM
eurjchem-1713	86	39	1.007	1.007	NUM
eurjchem-1713	86	40	1.004	1.004	NUM
eurjchem-1713	86	41	1.006	1.006	NUM
eurjchem-1713	86	42	0.963	0.963	NUM
eurjchem-1713	86	43	r	r	NOUN
eurjchem-1713	86	44	o	o	NOUN
eurjchem-1713	86	45	…	…	PUNCT
eurjchem-1713	86	46	h	h	NOUN
eurjchem-1713	86	47	c	c	NOUN
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eurjchem-1713	86	49	1.632	1.632	NUM
eurjchem-1713	86	50	1.626	1.626	NUM
eurjchem-1713	86	51	1.602	1.602	NUM
eurjchem-1713	86	52	1.613	1.613	NUM
eurjchem-1713	86	53	1.608	1.608	NUM
eurjchem-1713	86	54	1.654	1.654	NUM
eurjchem-1713	86	55	<	<	NOUN
eurjchem-1713	86	56	oho	oho	NOUN
eurjchem-1713	86	57	c	c	PROPN
eurjchem-1713	86	58	147.1	147.1	NUM
eurjchem-1713	86	59	148.7	148.7	NUM
eurjchem-1713	86	60	147.9	147.9	NUM
eurjchem-1713	86	61	148.9	148.9	NUM
eurjchem-1713	86	62	149.6	149.6	NUM
eurjchem-1713	86	63	149.3	149.3	NUM
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eurjchem-1713	86	65	ehbd	ehbd	NOUN
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eurjchem-1713	86	68	18.5	18.5	NUM
eurjchem-1713	86	69	20.1	20.1	NUM
eurjchem-1713	86	70	19.4	19.4	NUM
eurjchem-1713	86	71	19.8	19.8	NUM
eurjchem-1713	86	72	ρbcp	ρbcp	NOUN
eurjchem-1713	86	73	0.0592	0.0592	NUM
eurjchem-1713	86	74	0.0569	0.0569	NUM
eurjchem-1713	86	75	0.0581	0.0581	NUM
eurjchem-1713	87	1	0.0617	0.0617	NUM
eurjchem-1713	87	2	0.060	0.060	NUM
eurjchem-1713	87	3	0.0609	0.0609	NUM
eurjchem-1713	87	4	∇2ρbcp	∇2ρbcp	PROPN
eurjchem-1713	87	5	-0.1489	-0.1489	NOUN
eurjchem-1713	87	6	-0.1482	-0.1482	NOUN
eurjchem-1713	87	7	-0.1485	-0.1485	NOUN
eurjchem-1713	87	8	-0.1518	-0.1518	PROPN
eurjchem-1713	87	9	-0.1502	-0.1502	NOUN
eurjchem-1713	87	10	-0.1510	-0.1510	VERB
eurjchem-1713	88	1	lp(1)o	lp(1)o	PROPN
eurjchem-1713	88	2	→	→	SYM
eurjchem-1713	88	3	σ*o	σ*o	PROPN
eurjchem-1713	88	4	-	-	NOUN
eurjchem-1713	88	5	h	h	NOUN
eurjchem-1713	88	6	4.31	4.31	NUM
eurjchem-1713	88	7	4.11	4.11	NUM
eurjchem-1713	88	8	4.21	4.21	NUM
eurjchem-1713	88	9	4.30	4.30	NUM
eurjchem-1713	88	10	3.85	3.85	NUM
eurjchem-1713	88	11	4.08	4.08	NUM
eurjchem-1713	88	12	lp(2)o	lp(2)o	PROPN
eurjchem-1713	88	13	→	→	SYM
eurjchem-1713	88	14	σ*o	σ*o	PROPN
eurjchem-1713	88	15	-	-	NOUN
eurjchem-1713	88	16	h	h	NOUN
eurjchem-1713	88	17	28.53	28.53	NUM
eurjchem-1713	88	18	26.15	26.15	NUM
eurjchem-1713	88	19	27.34	27.34	NUM
eurjchem-1713	88	20	30.58	30.58	NUM
eurjchem-1713	88	21	29.1	29.1	NUM
eurjchem-1713	88	22	29.84	29.84	NUM
eurjchem-1713	88	23	σlp(1,2)o	σlp(1,2)o	PROPN
eurjchem-1713	88	24	→	→	SYM
eurjchem-1713	88	25	σ*o	σ*o	NOUN
eurjchem-1713	88	26	-	-	NOUN
eurjchem-1713	88	27	h	h	NOUN
eurjchem-1713	88	28	32.84	32.84	NUM
eurjchem-1713	88	29	30.26	30.26	NUM
eurjchem-1713	88	30	31.55	31.55	NUM
eurjchem-1713	88	31	34.88	34.88	NUM
eurjchem-1713	88	32	32.95	32.95	NUM
eurjchem-1713	88	33	33.92	33.92	NUM
eurjchem-1713	88	34	a	a	DET
eurjchem-1713	88	35	all	all	ADV
eurjchem-1713	88	36	calculated	calculate	VERB
eurjchem-1713	88	37	at	at	ADP
eurjchem-1713	88	38	the	the	DET
eurjchem-1713	88	39	b3lyp/6	b3lyp/6	NOUN
eurjchem-1713	88	40	-	-	PUNCT
eurjchem-1713	88	41	311++g	311++g	ADJ
eurjchem-1713	88	42	*	*	NOUN
eurjchem-1713	88	43	*	*	NOUN
eurjchem-1713	88	44	level	level	NOUN
eurjchem-1713	88	45	of	of	ADP
eurjchem-1713	88	46	theory	theory	NOUN
eurjchem-1713	88	47	.	.	PUNCT
eurjchem-1713	89	1	the	the	DET
eurjchem-1713	89	2	experimental	experimental	ADJ
eurjchem-1713	89	3	values	value	NOUN
eurjchem-1713	89	4	are	be	AUX
eurjchem-1713	89	5	in	in	ADP
eurjchem-1713	89	6	parentheses	parenthesis	NOUN
eurjchem-1713	89	7	from	from	ADP
eurjchem-1713	89	8	ref	ref	NOUN
eurjchem-1713	89	9	.	.	PUNCT
eurjchem-1713	90	1	[	[	X
eurjchem-1713	90	2	21,38	21,38	NUM
eurjchem-1713	90	3	]	]	X
eurjchem-1713	90	4	.	.	PUNCT
eurjchem-1713	91	1	b	b	X
eurjchem-1713	91	2	δ	δ	PROPN
eurjchem-1713	91	3	,	,	PUNCT
eurjchem-1713	91	4	proton	proton	NOUN
eurjchem-1713	91	5	chemical	chemical	NOUN
eurjchem-1713	91	6	shift	shift	NOUN
eurjchem-1713	91	7	in	in	ADP
eurjchem-1713	91	8	ppm	ppm	NOUN
eurjchem-1713	91	9	;	;	PUNCT
eurjchem-1713	91	10	υ	υ	NOUN
eurjchem-1713	91	11	and	and	CCONJ
eurjchem-1713	91	12	γ	γ	PROPN
eurjchem-1713	91	13	are	be	AUX
eurjchem-1713	91	14	stretching	stretch	VERB
eurjchem-1713	91	15	and	and	CCONJ
eurjchem-1713	91	16	out	out	ADP
eurjchem-1713	91	17	-	-	PUNCT
eurjchem-1713	91	18	of	of	ADP
eurjchem-1713	91	19	-	-	PUNCT
eurjchem-1713	91	20	plane	plane	NOUN
eurjchem-1713	91	21	bending	bend	VERB
eurjchem-1713	91	22	modes	mode	NOUN
eurjchem-1713	91	23	frequencies	frequency	NOUN
eurjchem-1713	91	24	,	,	PUNCT
eurjchem-1713	91	25	respectively	respectively	ADV
eurjchem-1713	91	26	,	,	PUNCT
eurjchem-1713	91	27	in	in	ADP
eurjchem-1713	91	28	cm	cm	NOUN
eurjchem-1713	91	29	-1	-1	PUNCT
eurjchem-1713	91	30	.	.	PUNCT
eurjchem-1713	92	1	c	c	NOUN
eurjchem-1713	93	1	r	r	NOUN
eurjchem-1713	93	2	is	be	AUX
eurjchem-1713	93	3	bond	bond	NOUN
eurjchem-1713	93	4	length	length	NOUN
eurjchem-1713	93	5	in	in	ADP
eurjchem-1713	93	6	å	å	PROPN
eurjchem-1713	93	7	,	,	PUNCT
eurjchem-1713	93	8	<	<	X
eurjchem-1713	93	9	is	be	AUX
eurjchem-1713	93	10	the	the	DET
eurjchem-1713	93	11	bond	bond	NOUN
eurjchem-1713	93	12	angle	angle	NOUN
eurjchem-1713	93	13	in	in	ADP
eurjchem-1713	93	14	degrees	degree	NOUN
eurjchem-1713	93	15	.	.	PUNCT
eurjchem-1713	94	1	d	d	X
eurjchem-1713	94	2	ehb	ehb	PROPN
eurjchem-1713	94	3	is	be	AUX
eurjchem-1713	94	4	the	the	DET
eurjchem-1713	94	5	ihb	ihb	PRON
eurjchem-1713	94	6	strength	strength	NOUN
eurjchem-1713	94	7	according	accord	VERB
eurjchem-1713	94	8	to	to	ADP
eurjchem-1713	94	9	method	method	NOUN
eurjchem-1713	94	10	of	of	ADP
eurjchem-1713	94	11	espinosa	espinosa	PROPN
eurjchem-1713	94	12	et	et	PROPN
eurjchem-1713	94	13	al	al	PROPN
eurjchem-1713	94	14	.	.	PUNCT
eurjchem-1713	95	1	[	[	X
eurjchem-1713	95	2	40	40	NUM
eurjchem-1713	95	3	]	]	PUNCT
eurjchem-1713	95	4	in	in	ADP
eurjchem-1713	95	5	kcal	kcal	PROPN
eurjchem-1713	95	6	/	/	SYM
eurjchem-1713	95	7	mol	mol	PROPN
eurjchem-1713	95	8	.	.	PUNCT
eurjchem-1713	96	1	e	e	X
eurjchem-1713	96	2	the	the	DET
eurjchem-1713	96	3	experimental	experimental	ADJ
eurjchem-1713	96	4	x	x	ADJ
eurjchem-1713	96	5	-	-	NOUN
eurjchem-1713	96	6	ray	ray	NOUN
eurjchem-1713	96	7	values	value	NOUN
eurjchem-1713	96	8	from	from	ADP
eurjchem-1713	96	9	ref	ref	NOUN
eurjchem-1713	96	10	.	.	PUNCT
eurjchem-1713	97	1	[	[	X
eurjchem-1713	97	2	22	22	NUM
eurjchem-1713	97	3	]	]	PUNCT
eurjchem-1713	97	4	.	.	PUNCT
eurjchem-1713	98	1	o	o	NOUN
eurjchem-1713	99	1	h	h	NOUN
eurjchem-1713	100	1	o	o	NOUN
eurjchem-1713	100	2	r	r	NOUN
eurjchem-1713	100	3	keq	keq	NOUN
eurjchem-1713	100	4	o	o	NOUN
eurjchem-1713	100	5	h	h	NOUN
eurjchem-1713	101	1	o	o	NOUN
eurjchem-1713	101	2	r	r	NOUN
eurjchem-1713	101	3	cis	cis	NOUN
eurjchem-1713	101	4	-	-	PUNCT
eurjchem-1713	101	5	enol-2	enol-2	NUM
eurjchem-1713	101	6	cis	cis	NOUN
eurjchem-1713	101	7	-	-	PUNCT
eurjchem-1713	101	8	enol-4	enol-4	NUM
eurjchem-1713	101	9	tfba	tfba	NOUN
eurjchem-1713	101	10	:	:	PUNCT
eurjchem-1713	101	11	r=	r=	ADJ
eurjchem-1713	101	12	cf3	cf3	PROPN
eurjchem-1713	101	13	adm	adm	PROPN
eurjchem-1713	101	14	:	:	PUNCT
eurjchem-1713	102	1	r	r	X
eurjchem-1713	102	2	=	=	SYM
eurjchem-1713	102	3	ch2	ch2	NOUN
eurjchem-1713	102	4	-	-	PUNCT
eurjchem-1713	102	5	ch2	ch2	NOUN
eurjchem-1713	102	6	-	-	PUNCT
eurjchem-1713	102	7	ch-(co2ch3)2	ch-(co2ch3)2	NOUN
eurjchem-1713	102	8	x=	x=	PUNCT
eurjchem-1713	103	1	h	h	PROPN
eurjchem-1713	103	2	,	,	PUNCT
eurjchem-1713	103	3	f	f	PROPN
eurjchem-1713	103	4	,	,	PUNCT
eurjchem-1713	103	5	cl	cl	NOUN
eurjchem-1713	103	6	,	,	PUNCT
eurjchem-1713	103	7	ch3	ch3	PROPN
eurjchem-1713	103	8	,	,	PUNCT
eurjchem-1713	103	9	och3	och3	ADJ
eurjchem-1713	103	10	,	,	PUNCT
eurjchem-1713	103	11	nh2	nh2	PROPN
eurjchem-1713	103	12	,	,	PUNCT
eurjchem-1713	103	13	no2	no2	NOUN
eurjchem-1713	103	14	,	,	PUNCT
eurjchem-1713	103	15	oh	oh	INTJ
eurjchem-1713	103	16	,	,	PUNCT
eurjchem-1713	103	17	and	and	CCONJ
eurjchem-1713	103	18	cf3	cf3	NOUN
eurjchem-1713	103	19	x	x	PUNCT
eurjchem-1713	103	20	x	x	PUNCT
eurjchem-1713	103	21	figure	figure	NOUN
eurjchem-1713	103	22	1	1	NUM
eurjchem-1713	103	23	.	.	PUNCT
eurjchem-1713	104	1	the	the	DET
eurjchem-1713	104	2	cis	cis	NOUN
eurjchem-1713	104	3	-	-	PUNCT
eurjchem-1713	104	4	enol	enol	NOUN
eurjchem-1713	104	5	forms	form	NOUN
eurjchem-1713	104	6	of	of	ADP
eurjchem-1713	104	7	two	two	NUM
eurjchem-1713	104	8	categories	category	NOUN
eurjchem-1713	104	9	of	of	ADP
eurjchem-1713	104	10	β	β	NOUN
eurjchem-1713	104	11	-	-	NOUN
eurjchem-1713	104	12	diketones	diketone	NOUN
eurjchem-1713	104	13	.	.	PUNCT
eurjchem-1713	105	1	which	which	PRON
eurjchem-1713	105	2	for	for	ADP
eurjchem-1713	105	3	x	x	NOUN
eurjchem-1713	105	4	-	-	VERB
eurjchem-1713	105	5	adm	adm	VERB
eurjchem-1713	105	6	the	the	DET
eurjchem-1713	105	7	∆g	∆g	PROPN
eurjchem-1713	105	8	°	°	PROPN
eurjchem-1713	105	9	298	298	NUM
eurjchem-1713	105	10	=	=	SYM
eurjchem-1713	105	11	(	(	PUNCT
eurjchem-1713	105	12	g	g	NOUN
eurjchem-1713	105	13	°	°	NOUN
eurjchem-1713	105	14	enol-2	enol-2	PROPN
eurjchem-1713	105	15	g	g	NOUN
eurjchem-1713	105	16	°	°	NOUN
eurjchem-1713	105	17	enol-4	enol-4	NUM
eurjchem-1713	105	18	)	)	PUNCT
eurjchem-1713	105	19	and	and	CCONJ
eurjchem-1713	105	20	for	for	ADP
eurjchem-1713	105	21	x	x	NOUN
eurjchem-1713	105	22	-	-	VERB
eurjchem-1713	105	23	tfba	tfba	VERB
eurjchem-1713	105	24	the	the	DET
eurjchem-1713	105	25	∆g	∆g	PROPN
eurjchem-1713	105	26	°	°	PROPN
eurjchem-1713	105	27	298	298	NUM
eurjchem-1713	105	28	=	=	SYM
eurjchem-1713	105	29	(	(	PUNCT
eurjchem-1713	105	30	g	g	NOUN
eurjchem-1713	105	31	°	°	PROPN
eurjchem-1713	105	32	enol-4	enol-4	ADP
eurjchem-1713	105	33	g	g	NOUN
eurjchem-1713	105	34	°	°	NOUN
eurjchem-1713	105	35	enol-2	enol-2	NOUN
eurjchem-1713	105	36	)	)	PUNCT
eurjchem-1713	105	37	all	all	DET
eurjchem-1713	105	38	calculations	calculation	NOUN
eurjchem-1713	105	39	are	be	AUX
eurjchem-1713	105	40	in	in	ADP
eurjchem-1713	105	41	298	298	NUM
eurjchem-1713	105	42	k.	k.	NOUN
eurjchem-1713	106	1	the	the	DET
eurjchem-1713	106	2	gibbs	gibbs	PROPN
eurjchem-1713	106	3	free	free	ADJ
eurjchem-1713	106	4	energy	energy	NOUN
eurjchem-1713	106	5	values	value	NOUN
eurjchem-1713	106	6	under	under	ADP
eurjchem-1713	106	7	standard	standard	ADJ
eurjchem-1713	106	8	conditions	condition	NOUN
eurjchem-1713	106	9	(	(	PUNCT
eurjchem-1713	106	10	g	g	NOUN
eurjchem-1713	106	11	°	°	NUM
eurjchem-1713	106	12	)	)	PUNCT
eurjchem-1713	106	13	,	,	PUNCT
eurjchem-1713	106	14	calculated	calculate	VERB
eurjchem-1713	106	15	at	at	ADP
eurjchem-1713	106	16	b3lyp/6	b3lyp/6	NOUN
eurjchem-1713	106	17	-	-	X
eurjchem-1713	106	18	311++g	311++g	ADJ
eurjchem-1713	106	19	*	*	NOUN
eurjchem-1713	106	20	*	*	NOUN
eurjchem-1713	106	21	level	level	NOUN
eurjchem-1713	106	22	within	within	ADP
eurjchem-1713	106	23	the	the	DET
eurjchem-1713	106	24	harmonic	harmonic	ADJ
eurjchem-1713	106	25	approximation	approximation	NOUN
eurjchem-1713	106	26	,	,	PUNCT
eurjchem-1713	106	27	(	(	PUNCT
eurjchem-1713	106	28	tables	table	NOUN
eurjchem-1713	106	29	1	1	NUM
eurjchem-1713	106	30	and	and	CCONJ
eurjchem-1713	106	31	2	2	NUM
eurjchem-1713	106	32	)	)	PUNCT
eurjchem-1713	106	33	.	.	PUNCT
eurjchem-1713	107	1	the	the	DET
eurjchem-1713	107	2	parameters	parameter	NOUN
eurjchem-1713	107	3	related	relate	VERB
eurjchem-1713	107	4	to	to	ADP
eurjchem-1713	107	5	ihb	ihb	DET
eurjchem-1713	107	6	strength	strength	NOUN
eurjchem-1713	107	7	,	,	PUNCT
eurjchem-1713	107	8	such	such	ADJ
eurjchem-1713	107	9	as	as	ADP
eurjchem-1713	107	10	the	the	DET
eurjchem-1713	107	11	optimized	optimize	VERB
eurjchem-1713	107	12	geometry	geometry	NOUN
eurjchem-1713	107	13	parameters	parameter	NOUN
eurjchem-1713	107	14	,	,	PUNCT
eurjchem-1713	107	15	the	the	DET
eurjchem-1713	107	16	topological	topological	ADJ
eurjchem-1713	107	17	and	and	CCONJ
eurjchem-1713	107	18	nbo	nbo	PROPN
eurjchem-1713	107	19	parameters	parameter	NOUN
eurjchem-1713	107	20	,	,	PUNCT
eurjchem-1713	107	21	the	the	DET
eurjchem-1713	107	22	theoretical	theoretical	ADJ
eurjchem-1713	107	23	and	and	CCONJ
eurjchem-1713	107	24	experimental	experimental	ADJ
eurjchem-1713	107	25	spectroscopic	spectroscopic	ADJ
eurjchem-1713	107	26	data	datum	NOUN
eurjchem-1713	107	27	,	,	PUNCT
eurjchem-1713	107	28	include	include	VERB
eurjchem-1713	107	29	the	the	DET
eurjchem-1713	107	30	ir	ir	PROPN
eurjchem-1713	107	31	frequencies	frequency	NOUN
eurjchem-1713	107	32	and	and	CCONJ
eurjchem-1713	107	33	nmr	nmr	NOUN
eurjchem-1713	107	34	chemical	chemical	NOUN
eurjchem-1713	107	35	shifts	shift	NOUN
eurjchem-1713	107	36	,	,	PUNCT
eurjchem-1713	107	37	for	for	ADP
eurjchem-1713	107	38	both	both	CCONJ
eurjchem-1713	107	39	stable	stable	ADJ
eurjchem-1713	107	40	forms	form	NOUN
eurjchem-1713	107	41	and	and	CCONJ
eurjchem-1713	107	42	their	their	PRON
eurjchem-1713	107	43	averages	average	NOUN
eurjchem-1713	107	44	of	of	ADP
eurjchem-1713	107	45	x	x	NOUN
eurjchem-1713	107	46	-	-	PUNCT
eurjchem-1713	107	47	tfba	tfba	ADJ
eurjchem-1713	107	48	and	and	CCONJ
eurjchem-1713	107	49	x	x	NOUN
eurjchem-1713	107	50	-	-	NOUN
eurjchem-1713	107	51	adm	adm	PROPN
eurjchem-1713	107	52	molecules	molecule	NOUN
eurjchem-1713	107	53	are	be	AUX
eurjchem-1713	107	54	collected	collect	VERB
eurjchem-1713	107	55	in	in	ADP
eurjchem-1713	107	56	tables	table	NOUN
eurjchem-1713	107	57	3	3	NUM
eurjchem-1713	107	58	-	-	SYM
eurjchem-1713	107	59	5	5	NUM
eurjchem-1713	107	60	.	.	PUNCT
eurjchem-1713	108	1	in	in	ADP
eurjchem-1713	108	2	addition	addition	NOUN
eurjchem-1713	108	3	,	,	PUNCT
eurjchem-1713	108	4	some	some	PRON
eurjchem-1713	108	5	reported	report	VERB
eurjchem-1713	108	6	structural	structural	ADJ
eurjchem-1713	108	7	parameters	parameter	NOUN
eurjchem-1713	108	8	of	of	ADP
eurjchem-1713	108	9	h	h	NOUN
eurjchem-1713	108	10	-	-	PUNCT
eurjchem-1713	108	11	adm	adm	PROPN
eurjchem-1713	108	12	,	,	PUNCT
eurjchem-1713	108	13	ch3	ch3	PROPN
eurjchem-1713	108	14	-	-	PUNCT
eurjchem-1713	108	15	adm	adm	PROPN
eurjchem-1713	108	16	,	,	PUNCT
eurjchem-1713	108	17	and	and	CCONJ
eurjchem-1713	108	18	no2adm	no2adm	PROPN
eurjchem-1713	108	19	are	be	AUX
eurjchem-1713	108	20	compared	compare	VERB
eurjchem-1713	108	21	with	with	ADP
eurjchem-1713	108	22	the	the	DET
eurjchem-1713	108	23	averaged	average	VERB
eurjchem-1713	108	24	calculated	calculate	VERB
eurjchem-1713	108	25	results	result	NOUN
eurjchem-1713	108	26	of	of	ADP
eurjchem-1713	108	27	the	the	DET
eurjchem-1713	108	28	mentioned	mention	VERB
eurjchem-1713	108	29	molecules	molecule	NOUN
eurjchem-1713	108	30	.	.	PUNCT
eurjchem-1713	109	1	as	as	SCONJ
eurjchem-1713	109	2	it	it	PRON
eurjchem-1713	109	3	is	be	AUX
eurjchem-1713	109	4	shown	show	VERB
eurjchem-1713	109	5	in	in	ADP
eurjchem-1713	109	6	these	these	DET
eurjchem-1713	109	7	tables	table	NOUN
eurjchem-1713	109	8	,	,	PUNCT
eurjchem-1713	109	9	there	there	PRON
eurjchem-1713	109	10	is	be	VERB
eurjchem-1713	109	11	a	a	DET
eurjchem-1713	109	12	fairly	fairly	ADV
eurjchem-1713	109	13	good	good	ADJ
eurjchem-1713	109	14	agreement	agreement	NOUN
eurjchem-1713	109	15	between	between	ADP
eurjchem-1713	109	16	the	the	DET
eurjchem-1713	109	17	theoretical	theoretical	ADJ
eurjchem-1713	109	18	and	and	CCONJ
eurjchem-1713	109	19	experimental	experimental	ADJ
eurjchem-1713	109	20	results	result	NOUN
eurjchem-1713	109	21	.	.	PUNCT
eurjchem-1713	110	1	according	accord	VERB
eurjchem-1713	110	2	to	to	ADP
eurjchem-1713	110	3	these	these	DET
eurjchem-1713	110	4	tables	table	NOUN
eurjchem-1713	110	5	,	,	PUNCT
eurjchem-1713	110	6	the	the	DET
eurjchem-1713	110	7	o	o	NOUN
eurjchem-1713	110	8	…	…	NOUN
eurjchem-1713	110	9	o	o	NOUN
eurjchem-1713	110	10	distance	distance	NOUN
eurjchem-1713	110	11	in	in	ADP
eurjchem-1713	110	12	the	the	DET
eurjchem-1713	110	13	-2	-2	NOUN
eurjchem-1713	110	14	forms	form	NOUN
eurjchem-1713	110	15	of	of	ADP
eurjchem-1713	110	16	title	title	NOUN
eurjchem-1713	110	17	molecules	molecule	NOUN
eurjchem-1713	110	18	are	be	AUX
eurjchem-1713	110	19	shorter	short	ADJ
eurjchem-1713	110	20	than	than	ADP
eurjchem-1713	110	21	those	those	PRON
eurjchem-1713	110	22	in	in	ADP
eurjchem-1713	110	23	the	the	DET
eurjchem-1713	110	24	-4	-4	NOUN
eurjchem-1713	110	25	forms	form	NOUN
eurjchem-1713	110	26	,	,	PUNCT
eurjchem-1713	110	27	therefore	therefore	ADV
eurjchem-1713	110	28	the	the	DET
eurjchem-1713	110	29	ihb	ihb	PRON
eurjchem-1713	110	30	strength	strength	NOUN
eurjchem-1713	110	31	of	of	ADP
eurjchem-1713	110	32	2	2	NUM
eurjchem-1713	110	33	forms	form	NOUN
eurjchem-1713	110	34	are	be	AUX
eurjchem-1713	110	35	stronger	strong	ADJ
eurjchem-1713	110	36	than	than	ADP
eurjchem-1713	110	37	those	those	PRON
eurjchem-1713	110	38	in	in	ADP
eurjchem-1713	110	39	4	4	NUM
eurjchem-1713	110	40	forms	form	NOUN
eurjchem-1713	110	41	.	.	PUNCT
eurjchem-1713	111	1	these	these	DET
eurjchem-1713	111	2	results	result	NOUN
eurjchem-1713	111	3	are	be	AUX
eurjchem-1713	111	4	in	in	ADP
eurjchem-1713	111	5	agreement	agreement	NOUN
eurjchem-1713	111	6	with	with	ADP
eurjchem-1713	111	7	the	the	DET
eurjchem-1713	111	8	other	other	ADJ
eurjchem-1713	111	9	parameters	parameter	NOUN
eurjchem-1713	111	10	relate	relate	VERB
eurjchem-1713	111	11	to	to	ADP
eurjchem-1713	111	12	ihb	ihb	DET
eurjchem-1713	111	13	strength	strength	NOUN
eurjchem-1713	111	14	,	,	PUNCT
eurjchem-1713	111	15	such	such	ADJ
eurjchem-1713	111	16	as	as	ADP
eurjchem-1713	111	17	theoretically	theoretically	ADV
eurjchem-1713	111	18	and	and	CCONJ
eurjchem-1713	111	19	experimentally	experimentally	ADV
eurjchem-1713	111	20	nmr	nmr	NOUN
eurjchem-1713	111	21	proton	proton	NOUN
eurjchem-1713	111	22	chemical	chemical	NOUN
eurjchem-1713	111	23	shifts	shift	NOUN
eurjchem-1713	111	24	(	(	PUNCT
eurjchem-1713	111	25	the	the	DET
eurjchem-1713	111	26	experimental	experimental	ADJ
eurjchem-1713	111	27	values	value	NOUN
eurjchem-1713	111	28	of	of	ADP
eurjchem-1713	111	29	proton	proton	NOUN
eurjchem-1713	111	30	chemical	chemical	NOUN
eurjchem-1713	111	31	shifts	shift	NOUN
eurjchem-1713	111	32	reported	report	VERB
eurjchem-1713	111	33	from	from	ADP
eurjchem-1713	111	34	references	reference	NOUN
eurjchem-1713	111	35	[	[	X
eurjchem-1713	111	36	21,39	21,39	NOUN
eurjchem-1713	111	37	-	-	SYM
eurjchem-1713	111	38	40	40	NUM
eurjchem-1713	111	39	]	]	PUNCT
eurjchem-1713	111	40	)	)	PUNCT
eurjchem-1713	111	41	,	,	PUNCT
eurjchem-1713	111	42	and	and	CCONJ
eurjchem-1713	111	43	computed	compute	VERB
eurjchem-1713	111	44	vibrational	vibrational	ADJ
eurjchem-1713	111	45	frequencies	frequency	NOUN
eurjchem-1713	111	46	,	,	PUNCT
eurjchem-1713	111	47	which	which	PRON
eurjchem-1713	111	48	are	be	AUX
eurjchem-1713	111	49	shown	show	VERB
eurjchem-1713	111	50	in	in	ADP
eurjchem-1713	111	51	the	the	DET
eurjchem-1713	111	52	mentioned	mention	VERB
eurjchem-1713	111	53	tables	table	NOUN
eurjchem-1713	111	54	.	.	PUNCT
eurjchem-1713	112	1	in	in	ADP
eurjchem-1713	112	2	tables	table	NOUN
eurjchem-1713	112	3	3	3	NUM
eurjchem-1713	112	4	-	-	SYM
eurjchem-1713	112	5	5	5	NUM
eurjchem-1713	112	6	,	,	PUNCT
eurjchem-1713	112	7	the	the	DET
eurjchem-1713	112	8	oho	oho	NOUN
eurjchem-1713	112	9	angle	angle	NOUN
eurjchem-1713	112	10	can	can	AUX
eurjchem-1713	112	11	not	not	PART
eurjchem-1713	112	12	confirm	confirm	VERB
eurjchem-1713	112	13	the	the	DET
eurjchem-1713	112	14	trend	trend	NOUN
eurjchem-1713	112	15	of	of	ADP
eurjchem-1713	112	16	the	the	DET
eurjchem-1713	112	17	hydrogen	hydrogen	NOUN
eurjchem-1713	112	18	bond	bond	NOUN
eurjchem-1713	112	19	strength	strength	NOUN
eurjchem-1713	112	20	between	between	ADP
eurjchem-1713	112	21	the	the	DET
eurjchem-1713	112	22	2	2	NUM
eurjchem-1713	112	23	and	and	CCONJ
eurjchem-1713	112	24	4	4	NUM
eurjchem-1713	112	25	forms	form	NOUN
eurjchem-1713	112	26	.	.	PUNCT
eurjchem-1713	113	1	this	this	DET
eurjchem-1713	113	2	difference	difference	NOUN
eurjchem-1713	113	3	in	in	ADP
eurjchem-1713	113	4	angle	angle	NOUN
eurjchem-1713	113	5	is	be	AUX
eurjchem-1713	113	6	due	due	ADJ
eurjchem-1713	113	7	to	to	ADP
eurjchem-1713	113	8	the	the	DET
eurjchem-1713	113	9	very	very	ADV
eurjchem-1713	113	10	small	small	ADJ
eurjchem-1713	113	11	difference	difference	NOUN
eurjchem-1713	113	12	in	in	ADP
eurjchem-1713	113	13	structure	structure	NOUN
eurjchem-1713	113	14	between	between	ADP
eurjchem-1713	113	15	the	the	DET
eurjchem-1713	113	16	studied	study	VERB
eurjchem-1713	113	17	forms	form	NOUN
eurjchem-1713	113	18	and	and	CCONJ
eurjchem-1713	113	19	the	the	DET
eurjchem-1713	113	20	calculations	calculation	NOUN
eurjchem-1713	113	21	can	can	AUX
eurjchem-1713	113	22	not	not	PART
eurjchem-1713	113	23	obtain	obtain	VERB
eurjchem-1713	113	24	the	the	DET
eurjchem-1713	113	25	exact	exact	ADJ
eurjchem-1713	113	26	difference	difference	NOUN
eurjchem-1713	113	27	.	.	PUNCT
eurjchem-1713	114	1	at	at	ADP
eurjchem-1713	114	2	different	different	ADJ
eurjchem-1713	114	3	computational	computational	ADJ
eurjchem-1713	114	4	levels	level	NOUN
eurjchem-1713	114	5	,	,	PUNCT
eurjchem-1713	114	6	this	this	DET
eurjchem-1713	114	7	upward	upward	ADJ
eurjchem-1713	114	8	trend	trend	NOUN
eurjchem-1713	114	9	exists	exist	VERB
eurjchem-1713	114	10	for	for	ADP
eurjchem-1713	114	11	the	the	DET
eurjchem-1713	114	12	values	value	NOUN
eurjchem-1713	114	13	of	of	ADP
eurjchem-1713	114	14	oho	oho	NOUN
eurjchem-1713	114	15	angle	angle	NOUN
eurjchem-1713	114	16	for	for	ADP
eurjchem-1713	114	17	2	2	NUM
eurjchem-1713	114	18	and	and	CCONJ
eurjchem-1713	114	19	4	4	NUM
eurjchem-1713	114	20	forms	form	NOUN
eurjchem-1713	114	21	.	.	PUNCT
eurjchem-1713	115	1	however	however	ADV
eurjchem-1713	115	2	,	,	PUNCT
eurjchem-1713	115	3	their	their	PRON
eurjchem-1713	115	4	average	average	ADJ
eurjchem-1713	115	5	values	value	NOUN
eurjchem-1713	115	6	confirm	confirm	VERB
eurjchem-1713	115	7	the	the	DET
eurjchem-1713	115	8	effect	effect	NOUN
eurjchem-1713	115	9	of	of	ADP
eurjchem-1713	115	10	the	the	DET
eurjchem-1713	115	11	substitutions	substitution	NOUN
eurjchem-1713	115	12	according	accord	VERB
eurjchem-1713	115	13	to	to	ADP
eurjchem-1713	115	14	1	1	NUM
eurjchem-1713	115	15	and	and	CCONJ
eurjchem-1713	115	16	2	2	NUM
eurjchem-1713	115	17	trends	trend	NOUN
eurjchem-1713	115	18	.	.	PUNCT
eurjchem-1713	116	1	also	also	ADV
eurjchem-1713	116	2	,	,	PUNCT
eurjchem-1713	116	3	given	give	VERB
eurjchem-1713	116	4	that	that	SCONJ
eurjchem-1713	116	5	the	the	DET
eurjchem-1713	116	6	values	value	NOUN
eurjchem-1713	116	7	of	of	ADP
eurjchem-1713	116	8	the	the	DET
eurjchem-1713	116	9	oho	oho	NOUN
eurjchem-1713	116	10	angles	angle	NOUN
eurjchem-1713	116	11	are	be	AUX
eurjchem-1713	116	12	related	relate	VERB
eurjchem-1713	116	13	to	to	ADP
eurjchem-1713	116	14	the	the	DET
eurjchem-1713	116	15	hammett	hammett	PROPN
eurjchem-1713	116	16	constants	constants	PROPN
eurjchem-1713	116	17	,	,	PUNCT
eurjchem-1713	116	18	it	it	PRON
eurjchem-1713	116	19	can	can	AUX
eurjchem-1713	116	20	be	be	AUX
eurjchem-1713	116	21	considered	consider	VERB
eurjchem-1713	116	22	a	a	DET
eurjchem-1713	116	23	criterion	criterion	NOUN
eurjchem-1713	116	24	.	.	PUNCT
eurjchem-1713	117	1	according	accord	VERB
eurjchem-1713	117	2	to	to	ADP
eurjchem-1713	117	3	results	result	NOUN
eurjchem-1713	117	4	of	of	ADP
eurjchem-1713	117	5	tables	table	NOUN
eurjchem-1713	117	6	3	3	NUM
eurjchem-1713	117	7	-	-	SYM
eurjchem-1713	117	8	5	5	NUM
eurjchem-1713	117	9	,	,	PUNCT
eurjchem-1713	117	10	the	the	DET
eurjchem-1713	117	11	substitutions	substitution	NOUN
eurjchem-1713	117	12	with	with	ADP
eurjchem-1713	117	13	electron	electron	NOUN
eurjchem-1713	117	14	donating	donating	NOUN
eurjchem-1713	117	15	effect	effect	NOUN
eurjchem-1713	117	16	,	,	PUNCT
eurjchem-1713	117	17	such	such	ADJ
eurjchem-1713	117	18	as	as	ADP
eurjchem-1713	117	19	nh2	nh2	PROPN
eurjchem-1713	117	20	,	,	PUNCT
eurjchem-1713	117	21	och3	och3	ADJ
eurjchem-1713	117	22	,	,	PUNCT
eurjchem-1713	117	23	ch3	ch3	PROPN
eurjchem-1713	117	24	and	and	CCONJ
eurjchem-1713	117	25	oh	oh	INTJ
eurjchem-1713	117	26	,	,	PUNCT
eurjchem-1713	117	27	increase	increase	VERB
eurjchem-1713	117	28	the	the	DET
eurjchem-1713	117	29	ihb	ihb	PRON
eurjchem-1713	117	30	strength	strength	NOUN
eurjchem-1713	117	31	,	,	PUNCT
eurjchem-1713	117	32	while	while	SCONJ
eurjchem-1713	117	33	electron	electron	NOUN
eurjchem-1713	117	34	-	-	PUNCT
eurjchem-1713	117	35	withdrawing	withdraw	VERB
eurjchem-1713	117	36	substitutions	substitution	NOUN
eurjchem-1713	117	37	such	such	ADJ
eurjchem-1713	117	38	as	as	ADP
eurjchem-1713	117	39	cf3	cf3	PROPN
eurjchem-1713	117	40	,	,	PUNCT
eurjchem-1713	117	41	and	and	CCONJ
eurjchem-1713	117	42	no2	no2	NOUN
eurjchem-1713	117	43	decrease	decrease	VERB
eurjchem-1713	117	44	the	the	DET
eurjchem-1713	117	45	ihb	ihb	DET
eurjchem-1713	117	46	strength	strength	NOUN
eurjchem-1713	117	47	of	of	ADP
eurjchem-1713	117	48	substituted	substitute	VERB
eurjchem-1713	117	49	molecules	molecule	NOUN
eurjchem-1713	117	50	in	in	ADP
eurjchem-1713	117	51	comparison	comparison	NOUN
eurjchem-1713	117	52	with	with	ADP
eurjchem-1713	117	53	tfba	tfba	NOUN
eurjchem-1713	117	54	,	,	PUNCT
eurjchem-1713	117	55	and	and	CCONJ
eurjchem-1713	117	56	adm	adm	PROPN
eurjchem-1713	117	57	as	as	ADP
eurjchem-1713	117	58	the	the	DET
eurjchem-1713	117	59	parent	parent	NOUN
eurjchem-1713	117	60	molecules	molecule	NOUN
eurjchem-1713	117	61	.	.	PUNCT
eurjchem-1713	118	1	however	however	ADV
eurjchem-1713	118	2	,	,	PUNCT
eurjchem-1713	118	3	halogen	halogen	NOUN
eurjchem-1713	118	4	substitutions	substitution	NOUN
eurjchem-1713	118	5	,	,	PUNCT
eurjchem-1713	118	6	like	like	ADP
eurjchem-1713	118	7	f	f	PROPN
eurjchem-1713	118	8	and	and	CCONJ
eurjchem-1713	118	9	cl	cl	NOUN
eurjchem-1713	118	10	,	,	PUNCT
eurjchem-1713	118	11	have	have	VERB
eurjchem-1713	118	12	no	no	DET
eurjchem-1713	118	13	significant	significant	ADJ
eurjchem-1713	118	14	effect	effect	NOUN
eurjchem-1713	118	15	on	on	ADP
eurjchem-1713	118	16	the	the	DET
eurjchem-1713	118	17	ihb	ihb	NOUN
eurjchem-1713	118	18	strength	strength	NOUN
eurjchem-1713	118	19	.	.	PUNCT
eurjchem-1713	119	1	so	so	ADV
eurjchem-1713	119	2	,	,	PUNCT
eurjchem-1713	119	3	the	the	DET
eurjchem-1713	119	4	following	follow	VERB
eurjchem-1713	119	5	trends	trend	NOUN
eurjchem-1713	119	6	in	in	ADP
eurjchem-1713	119	7	ehb	ehb	NOUN
eurjchem-1713	119	8	of	of	ADP
eurjchem-1713	119	9	titled	title	VERB
eurjchem-1713	119	10	molecules	molecule	NOUN
eurjchem-1713	119	11	are	be	AUX
eurjchem-1713	119	12	concluded	conclude	VERB
eurjchem-1713	119	13	:	:	PUNCT
eurjchem-1713	119	14	no2tfba	no2tfba	X
eurjchem-1713	120	1	<	<	X
eurjchem-1713	120	2	cf3	cf3	NOUN
eurjchem-1713	120	3	-	-	PUNCT
eurjchem-1713	120	4	tfba	tfba	PROPN
eurjchem-1713	120	5	<	<	X
eurjchem-1713	120	6	tfba	tfba	X
eurjchem-1713	120	7	~	~	PUNCT
eurjchem-1713	120	8	f	f	X
eurjchem-1713	120	9	-	-	PUNCT
eurjchem-1713	120	10	tfba	tfba	ADV
eurjchem-1713	120	11	~	~	PUNCT
eurjchem-1713	120	12	ch3	ch3	NOUN
eurjchem-1713	120	13	-	-	PUNCT
eurjchem-1713	120	14	tfba	tfba	ADJ
eurjchem-1713	120	15	<	<	X
eurjchem-1713	120	16	oh	oh	INTJ
eurjchem-1713	120	17	-	-	PUNCT
eurjchem-1713	120	18	tfba	tfba	NOUN
eurjchem-1713	120	19	<	<	X
eurjchem-1713	120	20	och3	och3	ADJ
eurjchem-1713	120	21	-	-	PUNCT
eurjchem-1713	120	22	tfba	tfba	ADJ
eurjchem-1713	120	23	<	<	X
eurjchem-1713	120	24	nh2	nh2	NOUN
eurjchem-1713	120	25	-	-	PUNCT
eurjchem-1713	120	26	tfba	tfba	ADJ
eurjchem-1713	120	27	(	(	PUNCT
eurjchem-1713	120	28	1	1	NUM
eurjchem-1713	120	29	)	)	PUNCT
eurjchem-1713	120	30	and	and	CCONJ
eurjchem-1713	120	31	no2	no2	PROPN
eurjchem-1713	120	32	-	-	PUNCT
eurjchem-1713	120	33	adm	adm	NOUN
eurjchem-1713	120	34	~	~	PUNCT
eurjchem-1713	120	35	cf3	cf3	PROPN
eurjchem-1713	120	36	-	-	PUNCT
eurjchem-1713	120	37	adm	adm	PROPN
eurjchem-1713	120	38	<	<	X
eurjchem-1713	120	39	adm	adm	PROPN
eurjchem-1713	120	40	~	~	PUNCT
eurjchem-1713	120	41	cl	cl	NOUN
eurjchem-1713	120	42	-	-	PUNCT
eurjchem-1713	120	43	adm	adm	NOUN
eurjchem-1713	120	44	~	~	PUNCT
eurjchem-1713	120	45	f	f	X
eurjchem-1713	120	46	-	-	PUNCT
eurjchem-1713	120	47	adm	adm	PROPN
eurjchem-1713	120	48	<	<	X
eurjchem-1713	120	49	ch3	ch3	PROPN
eurjchem-1713	120	50	-	-	PUNCT
eurjchem-1713	120	51	adm	adm	PROPN
eurjchem-1713	120	52	<	<	X
eurjchem-1713	120	53	och3	och3	PROPN
eurjchem-1713	120	54	-	-	PUNCT
eurjchem-1713	120	55	adm	adm	PROPN
eurjchem-1713	120	56	<	<	X
eurjchem-1713	120	57	nh2	nh2	PROPN
eurjchem-1713	120	58	-	-	PUNCT
eurjchem-1713	120	59	adm	adm	PROPN
eurjchem-1713	120	60	(	(	PUNCT
eurjchem-1713	120	61	2	2	NUM
eurjchem-1713	120	62	)	)	PUNCT
eurjchem-1713	120	63	2018	2018	NUM
eurjchem-1713	120	64	–	–	PUNCT
eurjchem-1713	120	65	european	european	ADJ
eurjchem-1713	120	66	journal	journal	NOUN
eurjchem-1713	120	67	of	of	ADP
eurjchem-1713	120	68	chemistry	chemistry	NOUN
eurjchem-1713	120	69	–	–	PUNCT
eurjchem-1713	120	70	cc	cc	NOUN
eurjchem-1713	120	71	by	by	ADP
eurjchem-1713	120	72	nc	nc	PROPN
eurjchem-1713	120	73	–	–	PUNCT
eurjchem-1713	120	74	doi	doi	NOUN
eurjchem-1713	120	75	:	:	PUNCT
eurjchem-1713	120	76	10.5155	10.5155	NUM
eurjchem-1713	120	77	/	/	SYM
eurjchem-1713	120	78	eurjchem.9.3.213	eurjchem.9.3.213	PROPN
eurjchem-1713	120	79	-	-	SYM
eurjchem-1713	120	80	221.1713	221.1713	NUM
eurjchem-1713	120	81	216	216	NUM
eurjchem-1713	120	82	darugar	darugar	NOUN
eurjchem-1713	120	83	et	et	PROPN
eurjchem-1713	120	84	al	al	PROPN
eurjchem-1713	120	85	.	.	PUNCT
eurjchem-1713	120	86	/	/	SYM
eurjchem-1713	120	87	european	european	PROPN
eurjchem-1713	120	88	journal	journal	PROPN
eurjchem-1713	120	89	of	of	ADP
eurjchem-1713	120	90	chemistry	chemistry	NOUN
eurjchem-1713	120	91	9	9	NUM
eurjchem-1713	120	92	(	(	PUNCT
eurjchem-1713	120	93	3	3	NUM
eurjchem-1713	120	94	)	)	PUNCT
eurjchem-1713	120	95	(	(	PUNCT
eurjchem-1713	120	96	2018	2018	NUM
eurjchem-1713	120	97	)	)	PUNCT
eurjchem-1713	120	98	213	213	NUM
eurjchem-1713	120	99	-	-	SYM
eurjchem-1713	120	100	221	221	NUM
eurjchem-1713	120	101	table	table	NOUN
eurjchem-1713	120	102	4	4	NUM
eurjchem-1713	120	103	.	.	PUNCT
eurjchem-1713	121	1	some	some	DET
eurjchem-1713	121	2	theoretical	theoretical	ADJ
eurjchem-1713	121	3	and	and	CCONJ
eurjchem-1713	121	4	experimental	experimental	ADJ
eurjchem-1713	121	5	parameters	parameter	NOUN
eurjchem-1713	121	6	related	relate	VERB
eurjchem-1713	121	7	to	to	ADP
eurjchem-1713	121	8	the	the	DET
eurjchem-1713	121	9	intramolecular	intramolecular	ADJ
eurjchem-1713	121	10	hydrogen	hydrogen	NOUN
eurjchem-1713	121	11	bond	bond	NOUN
eurjchem-1713	121	12	strength	strength	NOUN
eurjchem-1713	121	13	for	for	ADP
eurjchem-1713	121	14	the	the	DET
eurjchem-1713	121	15	x	x	ADJ
eurjchem-1713	121	16	-	-	ADJ
eurjchem-1713	121	17	tfba-2/-4	tfba-2/-4	ADJ
eurjchem-1713	121	18	molecules	molecule	NOUN
eurjchem-1713	121	19	and	and	CCONJ
eurjchem-1713	121	20	the	the	DET
eurjchem-1713	121	21	averaged	average	VERB
eurjchem-1713	121	22	values	value	NOUN
eurjchem-1713	121	23	.	.	PUNCT
eurjchem-1713	122	1	a	a	DET
eurjchem-1713	122	2	parameters	parameter	NOUN
eurjchem-1713	122	3	tfba	tfba	VERB
eurjchem-1713	122	4	f	f	X
eurjchem-1713	122	5	-	-	PUNCT
eurjchem-1713	122	6	tfba	tfba	VERB
eurjchem-1713	122	7	-2	-2	INTJ
eurjchem-1713	122	8	-4	-4	INTJ
eurjchem-1713	122	9	avg	avg	PROPN
eurjchem-1713	122	10	.	.	PUNCT
eurjchem-1713	123	1	-2	-2	INTJ
eurjchem-1713	123	2	-4	-4	X
eurjchem-1713	124	1	avg	avg	PROPN
eurjchem-1713	124	2	.	.	PUNCT
eurjchem-1713	125	1	δ	δ	PROPN
eurjchem-1713	126	1	oh	oh	INTJ
eurjchem-1713	126	2	b	b	PROPN
eurjchem-1713	126	3	15.32	15.32	NUM
eurjchem-1713	126	4	15.04	15.04	NUM
eurjchem-1713	126	5	15.18	15.18	NUM
eurjchem-1713	126	6	(	(	PUNCT
eurjchem-1713	126	7	15.20	15.20	NUM
eurjchem-1713	126	8	)	)	PUNCT
eurjchem-1713	126	9	15.24	15.24	NUM
eurjchem-1713	126	10	14.96	14.96	NUM
eurjchem-1713	126	11	15.10(15.14	15.10(15.14	NUM
eurjchem-1713	126	12	)	)	PUNCT
eurjchem-1713	127	1	ν	ν	VERB
eurjchem-1713	127	2	oh	oh	INTJ
eurjchem-1713	127	3	b	b	NOUN
eurjchem-1713	127	4	3036	3036	NUM
eurjchem-1713	127	5	3083	3083	NUM
eurjchem-1713	127	6	3060	3060	NUM
eurjchem-1713	127	7	3046	3046	NUM
eurjchem-1713	127	8	3071	3071	NUM
eurjchem-1713	127	9	3059	3059	NUM
eurjchem-1713	127	10	γ	γ	PROPN
eurjchem-1713	127	11	oh	oh	INTJ
eurjchem-1713	127	12	b	b	PROPN
eurjchem-1713	127	13	930	930	NUM
eurjchem-1713	127	14	937	937	NUM
eurjchem-1713	127	15	934	934	NUM
eurjchem-1713	127	16	928	928	NUM
eurjchem-1713	127	17	936	936	NUM
eurjchem-1713	127	18	932	932	NUM
eurjchem-1713	127	19	r	r	NOUN
eurjchem-1713	127	20	o	o	NOUN
eurjchem-1713	127	21	…	…	PROPN
eurjchem-1713	127	22	o	o	X
eurjchem-1713	127	23	c	c	NOUN
eurjchem-1713	127	24	2.523	2.523	NUM
eurjchem-1713	127	25	2.542	2.542	NUM
eurjchem-1713	127	26	2.533	2.533	NUM
eurjchem-1713	127	27	2.525	2.525	NUM
eurjchem-1713	127	28	2.539	2.539	NUM
eurjchem-1713	127	29	2.532	2.532	NUM
eurjchem-1713	127	30	r	r	NOUN
eurjchem-1713	127	31	o	o	NOUN
eurjchem-1713	127	32	-	-	NOUN
eurjchem-1713	127	33	h	h	NOUN
eurjchem-1713	127	34	c	c	NOUN
eurjchem-1713	127	35	1.006	1.006	NUM
eurjchem-1713	127	36	1.001	1.001	NUM
eurjchem-1713	127	37	1.004	1.004	NUM
eurjchem-1713	127	38	1.005	1.005	NUM
eurjchem-1713	127	39	1.002	1.002	NUM
eurjchem-1713	127	40	1.004	1.004	NUM
eurjchem-1713	127	41	r	r	NOUN
eurjchem-1713	127	42	o	o	NOUN
eurjchem-1713	127	43	…	…	PUNCT
eurjchem-1713	127	44	h	h	NOUN
eurjchem-1713	127	45	c	c	NOUN
eurjchem-1713	127	46	1.619	1.619	NUM
eurjchem-1713	127	47	1.632	1.632	NUM
eurjchem-1713	127	48	1.626	1.626	NUM
eurjchem-1713	127	49	1.622	1.622	NUM
eurjchem-1713	127	50	1.629	1.629	NUM
eurjchem-1713	127	51	1.626	1.626	NUM
eurjchem-1713	127	52	<	<	NOUN
eurjchem-1713	127	53	oho	oho	NOUN
eurjchem-1713	127	54	c	c	NOUN
eurjchem-1713	127	55	147.1	147.1	NUM
eurjchem-1713	127	56	148.7	148.7	NUM
eurjchem-1713	127	57	147.9	147.9	NUM
eurjchem-1713	127	58	147.0	147.0	NUM
eurjchem-1713	127	59	148.8	148.8	NUM
eurjchem-1713	127	60	147.9	147.9	NUM
eurjchem-1713	127	61	ehbd	ehbd	NOUN
eurjchem-1713	127	62	19.0	19.0	NUM
eurjchem-1713	127	63	18.1	18.1	NUM
eurjchem-1713	127	64	18.5	18.5	NUM
eurjchem-1713	127	65	18.8	18.8	NUM
eurjchem-1713	127	66	18.4	18.4	NUM
eurjchem-1713	127	67	18.6	18.6	NUM
eurjchem-1713	127	68	ρbcp	ρbcp	NOUN
eurjchem-1713	127	69	0.0592	0.0592	NUM
eurjchem-1713	127	70	0.0569	0.0569	NUM
eurjchem-1713	127	71	0.0581	0.0581	NUM
eurjchem-1713	127	72	0.0587	0.0587	NUM
eurjchem-1713	127	73	0.0577	0.0577	NUM
eurjchem-1713	127	74	0.0582	0.0582	NUM
eurjchem-1713	127	75	∇2ρbcp	∇2ρbcp	PROPN
eurjchem-1713	127	76	-0.1488	-0.1488	NOUN
eurjchem-1713	127	77	-0.1482	-0.1482	PROPN
eurjchem-1713	127	78	-0.1485	-0.1485	PROPN
eurjchem-1713	127	79	-0.1485	-0.1485	PROPN
eurjchem-1713	127	80	-0.1487	-0.1487	NOUN
eurjchem-1713	127	81	-0.1486	-0.1486	PROPN
eurjchem-1713	128	1	lp(1)o	lp(1)o	PROPN
eurjchem-1713	128	2	→	→	SYM
eurjchem-1713	128	3	σ*o	σ*o	PROPN
eurjchem-1713	128	4	-	-	NOUN
eurjchem-1713	128	5	h	h	NOUN
eurjchem-1713	128	6	4.31	4.31	NUM
eurjchem-1713	128	7	4.11	4.11	NUM
eurjchem-1713	128	8	4.21	4.21	NUM
eurjchem-1713	128	9	4.26	4.26	NUM
eurjchem-1713	128	10	4.17	4.17	NUM
eurjchem-1713	128	11	4.22	4.22	NUM
eurjchem-1713	128	12	lp(2)o	lp(2)o	PROPN
eurjchem-1713	128	13	→	→	SYM
eurjchem-1713	128	14	σ*o	σ*o	PROPN
eurjchem-1713	128	15	-	-	NOUN
eurjchem-1713	128	16	h	h	NOUN
eurjchem-1713	128	17	28.53	28.53	NUM
eurjchem-1713	128	18	26.15	26.15	NUM
eurjchem-1713	128	19	27.34	27.34	NUM
eurjchem-1713	128	20	28.03	28.03	NUM
eurjchem-1713	128	21	26.57	26.57	NUM
eurjchem-1713	128	22	27.30	27.30	NUM
eurjchem-1713	128	23	σlp(1,2)o	σlp(1,2)o	PROPN
eurjchem-1713	128	24	→	→	SYM
eurjchem-1713	128	25	σ*o	σ*o	NOUN
eurjchem-1713	128	26	-	-	NOUN
eurjchem-1713	128	27	h	h	NOUN
eurjchem-1713	128	28	32.84	32.84	NUM
eurjchem-1713	128	29	30.26	30.26	NUM
eurjchem-1713	128	30	31.55	31.55	NUM
eurjchem-1713	128	31	32.29	32.29	NUM
eurjchem-1713	128	32	30.74	30.74	NUM
eurjchem-1713	128	33	31.52	31.52	NUM
eurjchem-1713	128	34	∆e(homo	∆e(homo	NOUN
eurjchem-1713	128	35	-	-	PUNCT
eurjchem-1713	128	36	lumo	lumo	NOUN
eurjchem-1713	128	37	)	)	PUNCT
eurjchem-1713	128	38	e	e	NOUN
eurjchem-1713	128	39	4.68	4.68	NUM
eurjchem-1713	128	40	4.25	4.25	NUM
eurjchem-1713	128	41	4.47	4.47	NUM
eurjchem-1713	128	42	4.63	4.63	NUM
eurjchem-1713	128	43	4.22	4.22	NUM
eurjchem-1713	128	44	4.43	4.43	NUM
eurjchem-1713	128	45	ch3	ch3	PROPN
eurjchem-1713	128	46	-	-	PUNCT
eurjchem-1713	128	47	tfba	tfba	VERB
eurjchem-1713	128	48	och3	och3	ADJ
eurjchem-1713	128	49	-	-	PUNCT
eurjchem-1713	128	50	tfba	tfba	ADJ
eurjchem-1713	128	51	-2	-2	INTJ
eurjchem-1713	128	52	-4	-4	INTJ
eurjchem-1713	128	53	avg	avg	PROPN
eurjchem-1713	128	54	.	.	PUNCT
eurjchem-1713	128	55	-2	-2	INTJ
eurjchem-1713	128	56	-4	-4	X
eurjchem-1713	128	57	avg	avg	PROPN
eurjchem-1713	128	58	.	.	PUNCT
eurjchem-1713	129	1	δ	δ	PROPN
eurjchem-1713	130	1	oh	oh	INTJ
eurjchem-1713	130	2	b	b	PROPN
eurjchem-1713	130	3	15.37	15.37	NUM
eurjchem-1713	130	4	14.97	14.97	NUM
eurjchem-1713	130	5	15.17(15.24	15.17(15.24	NUM
eurjchem-1713	130	6	)	)	PUNCT
eurjchem-1713	130	7	15.27	15.27	NUM
eurjchem-1713	130	8	15.14	15.14	NUM
eurjchem-1713	130	9	15.21(15.41	15.21(15.41	NUM
eurjchem-1713	130	10	)	)	PUNCT
eurjchem-1713	130	11	ν	ν	NOUN
eurjchem-1713	130	12	oh	oh	NOUN
eurjchem-1713	130	13	b	b	NOUN
eurjchem-1713	130	14	3024	3024	NUM
eurjchem-1713	130	15	3080	3080	NUM
eurjchem-1713	130	16	3052	3052	NUM
eurjchem-1713	130	17	3004	3004	NUM
eurjchem-1713	130	18	3056	3056	NUM
eurjchem-1713	130	19	3030	3030	NUM
eurjchem-1713	130	20	γ	γ	PROPN
eurjchem-1713	130	21	oh	oh	INTJ
eurjchem-1713	130	22	b	b	PROPN
eurjchem-1713	130	23	933	933	NUM
eurjchem-1713	130	24	918	918	NUM
eurjchem-1713	130	25	926	926	NUM
eurjchem-1713	130	26	938	938	NUM
eurjchem-1713	130	27	923	923	NUM
eurjchem-1713	130	28	931	931	NUM
eurjchem-1713	130	29	r	r	NOUN
eurjchem-1713	130	30	o	o	NOUN
eurjchem-1713	130	31	…	…	X
eurjchem-1713	130	32	o	o	X
eurjchem-1713	130	33	c	c	NOUN
eurjchem-1713	130	34	2.522	2.522	NUM
eurjchem-1713	130	35	2.542	2.542	NUM
eurjchem-1713	130	36	2.532	2.532	NUM
eurjchem-1713	130	37	2.519	2.519	NUM
eurjchem-1713	130	38	2.537	2.537	NUM
eurjchem-1713	130	39	2.528	2.528	NUM
eurjchem-1713	130	40	r	r	NOUN
eurjchem-1713	130	41	o	o	NOUN
eurjchem-1713	130	42	-	-	NOUN
eurjchem-1713	130	43	h	h	NOUN
eurjchem-1713	130	44	c	c	NOUN
eurjchem-1713	130	45	1.006	1.006	NUM
eurjchem-1713	130	46	1.001	1.001	NUM
eurjchem-1713	130	47	1.004	1.004	NUM
eurjchem-1713	130	48	1.007	1.007	NUM
eurjchem-1713	130	49	1.003	1.003	NUM
eurjchem-1713	130	50	1.005	1.005	NUM
eurjchem-1713	130	51	r	r	NOUN
eurjchem-1713	130	52	o	o	NOUN
eurjchem-1713	130	53	…	…	PUNCT
eurjchem-1713	130	54	h	h	NOUN
eurjchem-1713	130	55	c	c	NOUN
eurjchem-1713	130	56	1.615	1.615	NUM
eurjchem-1713	130	57	1.631	1.631	NUM
eurjchem-1713	130	58	1.623	1.623	NUM
eurjchem-1713	130	59	1.609	1.609	NUM
eurjchem-1713	130	60	1.622	1.622	NUM
eurjchem-1713	130	61	1.616	1.616	NUM
eurjchem-1713	130	62	<	<	NOUN
eurjchem-1713	130	63	oho	oho	PROPN
eurjchem-1713	130	64	c	c	PROPN
eurjchem-1713	130	65	147.3	147.3	NUM
eurjchem-1713	130	66	148.9	148.9	NUM
eurjchem-1713	130	67	148.1	148.1	NUM
eurjchem-1713	130	68	147.6	147.6	NUM
eurjchem-1713	130	69	149.3	149.3	NUM
eurjchem-1713	130	70	148.5	148.5	NUM
eurjchem-1713	130	71	ehbd	ehbd	NOUN
eurjchem-1713	130	72	19.2	19.2	NUM
eurjchem-1713	130	73	18.1	18.1	NUM
eurjchem-1713	130	74	18.7	18.7	NUM
eurjchem-1713	130	75	19.6	19.6	NUM
eurjchem-1713	130	76	18.7	18.7	NUM
eurjchem-1713	130	77	19.2	19.2	NUM
eurjchem-1713	130	78	ρbcp	ρbcp	NOUN
eurjchem-1713	130	79	0.0598	0.0598	NUM
eurjchem-1713	130	80	0.0570	0.0570	NUM
eurjchem-1713	130	81	0.0584	0.0584	NUM
eurjchem-1713	130	82	0.0607	0.0607	NUM
eurjchem-1713	130	83	0.0580	0.0580	NUM
eurjchem-1713	130	84	0.0595	0.0595	NUM
eurjchem-1713	130	85	∇2ρbcp	∇2ρbcp	PROPN
eurjchem-1713	130	86	-0.1490	-0.1490	ADJ
eurjchem-1713	130	87	-0.1482	-0.1482	NOUN
eurjchem-1713	130	88	-0.1486	-0.1486	NOUN
eurjchem-1713	130	89	-0.1497	-0.1497	PROPN
eurjchem-1713	130	90	-0.1492	-0.1492	PUNCT
eurjchem-1713	131	1	-0.1494	-0.1494	PUNCT
eurjchem-1713	132	1	lp(1)o	lp(1)o	PROPN
eurjchem-1713	132	2	→	→	SYM
eurjchem-1713	132	3	σ*o	σ*o	PROPN
eurjchem-1713	132	4	-	-	NOUN
eurjchem-1713	132	5	h	h	NOUN
eurjchem-1713	132	6	4.33	4.33	NUM
eurjchem-1713	132	7	4.10	4.10	NUM
eurjchem-1713	132	8	4.22	4.22	NUM
eurjchem-1713	132	9	4.35	4.35	NUM
eurjchem-1713	132	10	4.20	4.20	NUM
eurjchem-1713	132	11	4.28	4.28	NUM
eurjchem-1713	132	12	lp(2)o	lp(2)o	PROPN
eurjchem-1713	132	13	→	→	SYM
eurjchem-1713	132	14	σ*o	σ*o	PROPN
eurjchem-1713	132	15	-	-	PROPN
eurjchem-1713	132	16	h	h	NOUN
eurjchem-1713	132	17	29.03	29.03	NUM
eurjchem-1713	132	18	26.32	26.32	NUM
eurjchem-1713	132	19	27.68	27.68	NUM
eurjchem-1713	132	20	29.62	29.62	NUM
eurjchem-1713	132	21	27.38	27.38	NUM
eurjchem-1713	132	22	28.50	28.50	NUM
eurjchem-1713	132	23	σlp(1,2)o	σlp(1,2)o	NOUN
eurjchem-1713	132	24	→	→	SYM
eurjchem-1713	132	25	σ*o	σ*o	NOUN
eurjchem-1713	132	26	-	-	NOUN
eurjchem-1713	132	27	h	h	NOUN
eurjchem-1713	132	28	33.36	33.36	NUM
eurjchem-1713	132	29	30.42	30.42	NUM
eurjchem-1713	132	30	31.89	31.89	NUM
eurjchem-1713	132	31	33.97	33.97	NUM
eurjchem-1713	132	32	31.58	31.58	NUM
eurjchem-1713	132	33	32.78	32.78	NUM
eurjchem-1713	132	34	∆e(homo	∆e(homo	NOUN
eurjchem-1713	132	35	-	-	PUNCT
eurjchem-1713	132	36	lumo	lumo	NOUN
eurjchem-1713	132	37	)	)	PUNCT
eurjchem-1713	132	38	e	e	NOUN
eurjchem-1713	132	39	4.56	4.56	NUM
eurjchem-1713	132	40	4.15	4.15	NUM
eurjchem-1713	132	41	4.36	4.36	NUM
eurjchem-1713	132	42	4.23	4.23	NUM
eurjchem-1713	132	43	3.97	3.97	NUM
eurjchem-1713	132	44	4.10	4.10	NUM
eurjchem-1713	132	45	nh2	nh2	PROPN
eurjchem-1713	132	46	-	-	PUNCT
eurjchem-1713	132	47	tfba	tfba	VERB
eurjchem-1713	132	48	no2	no2	NOUN
eurjchem-1713	132	49	-	-	PUNCT
eurjchem-1713	132	50	tfba	tfba	VERB
eurjchem-1713	132	51	-2	-2	INTJ
eurjchem-1713	132	52	-4	-4	INTJ
eurjchem-1713	132	53	avg	avg	PROPN
eurjchem-1713	132	54	.	.	PUNCT
eurjchem-1713	132	55	-2	-2	INTJ
eurjchem-1713	132	56	-4	-4	X
eurjchem-1713	132	57	avg	avg	PROPN
eurjchem-1713	132	58	.	.	PUNCT
eurjchem-1713	133	1	δ	δ	PROPN
eurjchem-1713	134	1	oh	oh	INTJ
eurjchem-1713	134	2	b	b	PROPN
eurjchem-1713	134	3	15.43	15.43	NUM
eurjchem-1713	134	4	14.99	14.99	NUM
eurjchem-1713	134	5	15.21	15.21	NUM
eurjchem-1713	134	6	(	(	PUNCT
eurjchem-1713	134	7	-	-	SYM
eurjchem-1713	134	8	)	)	PUNCT
eurjchem-1713	134	9	15.16	15.16	NUM
eurjchem-1713	134	10	14.53	14.53	NUM
eurjchem-1713	134	11	14.85	14.85	NUM
eurjchem-1713	134	12	(	(	PUNCT
eurjchem-1713	134	13	14.70	14.70	NUM
eurjchem-1713	134	14	)	)	PUNCT
eurjchem-1713	134	15	ν	ν	NOUN
eurjchem-1713	134	16	oh	oh	NUM
eurjchem-1713	134	17	b	b	PROPN
eurjchem-1713	134	18	2985	2985	NUM
eurjchem-1713	134	19	3044	3044	NUM
eurjchem-1713	134	20	3015	3015	NUM
eurjchem-1713	134	21	3085	3085	NUM
eurjchem-1713	134	22	3153	3153	NUM
eurjchem-1713	134	23	3119	3119	NUM
eurjchem-1713	134	24	γ	γ	PROPN
eurjchem-1713	134	25	oh	oh	INTJ
eurjchem-1713	134	26	b	b	PROPN
eurjchem-1713	134	27	944	944	NUM
eurjchem-1713	134	28	926	926	NUM
eurjchem-1713	134	29	935	935	NUM
eurjchem-1713	134	30	919	919	NUM
eurjchem-1713	134	31	913	913	NUM
eurjchem-1713	134	32	916	916	NUM
eurjchem-1713	134	33	r	r	NOUN
eurjchem-1713	134	34	o	o	NOUN
eurjchem-1713	134	35	…	…	SYM
eurjchem-1713	134	36	o	o	NOUN
eurjchem-1713	134	37	c	c	NOUN
eurjchem-1713	134	38	2.516	2.516	NUM
eurjchem-1713	134	39	2.536	2.536	NUM
eurjchem-1713	134	40	2.526	2.526	NUM
eurjchem-1713	134	41	2.533	2.533	NUM
eurjchem-1713	134	42	2.557	2.557	NUM
eurjchem-1713	134	43	2.545	2.545	NUM
eurjchem-1713	134	44	r	r	NOUN
eurjchem-1713	134	45	o	o	NOUN
eurjchem-1713	134	46	-	-	NOUN
eurjchem-1713	134	47	h	h	NOUN
eurjchem-1713	134	48	c	c	NOUN
eurjchem-1713	134	49	1.009	1.009	NUM
eurjchem-1713	134	50	1.003	1.003	NUM
eurjchem-1713	134	51	1.006	1.006	NUM
eurjchem-1713	134	52	1.003	1.003	NUM
eurjchem-1713	134	53	0.998	0.998	NUM
eurjchem-1713	134	54	1.001	1.001	NUM
eurjchem-1713	134	55	r	r	NOUN
eurjchem-1713	134	56	o	o	NOUN
eurjchem-1713	134	57	…	…	PUNCT
eurjchem-1713	134	58	h	h	NOUN
eurjchem-1713	134	59	1.604	1.604	NUM
eurjchem-1713	134	60	1.620	1.620	NUM
eurjchem-1713	134	61	1.612	1.612	NUM
eurjchem-1713	134	62	1.636	1.636	NUM
eurjchem-1713	134	63	1.658	1.658	NUM
eurjchem-1713	134	64	1.647	1.647	NUM
eurjchem-1713	134	65	<	<	X
eurjchem-1713	134	66	oho	oho	PROPN
eurjchem-1713	134	67	c	c	PROPN
eurjchem-1713	134	68	147.9	147.9	NUM
eurjchem-1713	134	69	149.6	149.6	NUM
eurjchem-1713	134	70	148.8	148.8	NUM
eurjchem-1713	134	71	146.3	146.3	NUM
eurjchem-1713	134	72	147.6	147.6	NUM
eurjchem-1713	134	73	147.0	147.0	NUM
eurjchem-1713	134	74	ehbd	ehbd	NOUN
eurjchem-1713	134	75	20.0	20.0	NUM
eurjchem-1713	134	76	18.8	18.8	NUM
eurjchem-1713	134	77	19.4	19.4	NUM
eurjchem-1713	134	78	18.0	18.0	NUM
eurjchem-1713	134	79	16.6	16.6	NUM
eurjchem-1713	134	80	17.3	17.3	NUM
eurjchem-1713	134	81	ρbcp	ρbcp	NOUN
eurjchem-1713	134	82	0.0615	0.0615	NUM
eurjchem-1713	134	83	0.0587	0.0587	NUM
eurjchem-1713	134	84	0.0601	0.0601	NUM
eurjchem-1713	134	85	0.0567	0.0567	NUM
eurjchem-1713	134	86	0.0533	0.0533	NUM
eurjchem-1713	134	87	0.0550	0.0550	NUM
eurjchem-1713	135	1	∇2ρbcp	∇2ρbcp	PROPN
eurjchem-1713	135	2	-0.1499	-0.1499	PROPN
eurjchem-1713	135	3	-0.1492	-0.1492	PROPN
eurjchem-1713	135	4	-0.1496	-0.1496	PROPN
eurjchem-1713	136	1	-0.1471	-0.1471	PROPN
eurjchem-1713	136	2	-0.1446	-0.1446	PROPN
eurjchem-1713	136	3	-0.1459	-0.1459	PROPN
eurjchem-1713	137	1	lp(1)o	lp(1)o	PROPN
eurjchem-1713	137	2	→	→	SYM
eurjchem-1713	137	3	σ*o	σ*o	PROPN
eurjchem-1713	137	4	-	-	NOUN
eurjchem-1713	137	5	h	h	NOUN
eurjchem-1713	137	6	4.43	4.43	NUM
eurjchem-1713	137	7	4.22	4.22	NUM
eurjchem-1713	137	8	4.33	4.33	NUM
eurjchem-1713	137	9	4.10	4.10	NUM
eurjchem-1713	137	10	3.83	3.83	NUM
eurjchem-1713	137	11	3.97	3.97	NUM
eurjchem-1713	137	12	lp(2)o	lp(2)o	PROPN
eurjchem-1713	137	13	→	→	SYM
eurjchem-1713	137	14	σ*o	σ*o	PROPN
eurjchem-1713	137	15	-	-	PROPN
eurjchem-1713	137	16	h	h	NOUN
eurjchem-1713	137	17	30.73	30.73	NUM
eurjchem-1713	137	18	27.83	27.83	NUM
eurjchem-1713	137	19	29.28	29.28	NUM
eurjchem-1713	137	20	26.19	26.19	NUM
eurjchem-1713	137	21	23.21	23.21	NUM
eurjchem-1713	137	22	24.7	24.7	NUM
eurjchem-1713	137	23	σlp(1,2)o	σlp(1,2)o	NOUN
eurjchem-1713	137	24	→	→	SYM
eurjchem-1713	137	25	σ*o	σ*o	NOUN
eurjchem-1713	137	26	-	-	NOUN
eurjchem-1713	137	27	h	h	NOUN
eurjchem-1713	137	28	35.16	35.16	NUM
eurjchem-1713	137	29	32.05	32.05	NUM
eurjchem-1713	137	30	33.61	33.61	NUM
eurjchem-1713	137	31	30.29	30.29	NUM
eurjchem-1713	137	32	27.04	27.04	NUM
eurjchem-1713	137	33	28.67	28.67	NUM
eurjchem-1713	137	34	∆e(homo	∆e(homo	NOUN
eurjchem-1713	137	35	-	-	PUNCT
eurjchem-1713	137	36	lumo	lumo	NOUN
eurjchem-1713	137	37	)	)	PUNCT
eurjchem-1713	137	38	e	e	NOUN
eurjchem-1713	137	39	3.97	3.97	NUM
eurjchem-1713	137	40	3.77	3.77	NUM
eurjchem-1713	137	41	3.87	3.87	NUM
eurjchem-1713	137	42	3.87	3.87	NUM
eurjchem-1713	137	43	3.98	3.98	NUM
eurjchem-1713	137	44	3.93	3.93	NUM
eurjchem-1713	137	45	cf3	cf3	NOUN
eurjchem-1713	137	46	-	-	PUNCT
eurjchem-1713	137	47	tfba	tfba	VERB
eurjchem-1713	137	48	oh	oh	NOUN
eurjchem-1713	137	49	-	-	PUNCT
eurjchem-1713	137	50	tfba	tfba	VERB
eurjchem-1713	137	51	-2	-2	INTJ
eurjchem-1713	137	52	-4	-4	INTJ
eurjchem-1713	137	53	avg	avg	PROPN
eurjchem-1713	137	54	.	.	PUNCT
eurjchem-1713	137	55	-2	-2	INTJ
eurjchem-1713	138	1	-4	-4	X
eurjchem-1713	138	2	avg	avg	PROPN
eurjchem-1713	138	3	.	.	PUNCT
eurjchem-1713	139	1	δ	δ	PROPN
eurjchem-1713	140	1	oh	oh	INTJ
eurjchem-1713	140	2	b	b	PROPN
eurjchem-1713	140	3	15.30	15.30	NUM
eurjchem-1713	140	4	14.70	14.70	NUM
eurjchem-1713	140	5	15.00	15.00	NUM
eurjchem-1713	140	6	(	(	PUNCT
eurjchem-1713	140	7	14.85	14.85	NUM
eurjchem-1713	140	8	)	)	PUNCT
eurjchem-1713	140	9	15.34	15.34	NUM
eurjchem-1713	140	10	15.07	15.07	NUM
eurjchem-1713	140	11	15.21	15.21	NUM
eurjchem-1713	140	12	(	(	PUNCT
eurjchem-1713	140	13	-	-	SYM
eurjchem-1713	140	14	)	)	PUNCT
eurjchem-1713	140	15	ν	ν	NOUN
eurjchem-1713	140	16	oh	oh	NUM
eurjchem-1713	140	17	b	b	NOUN
eurjchem-1713	140	18	3071	3071	NUM
eurjchem-1713	140	19	3132	3132	NUM
eurjchem-1713	140	20	3102	3102	NUM
eurjchem-1713	140	21	3017	3017	NUM
eurjchem-1713	140	22	3055	3055	NUM
eurjchem-1713	140	23	3036	3036	NUM
eurjchem-1713	140	24	γ	γ	PROPN
eurjchem-1713	140	25	oh	oh	INTJ
eurjchem-1713	140	26	b	b	PROPN
eurjchem-1713	140	27	922	922	NUM
eurjchem-1713	140	28	918	918	NUM
eurjchem-1713	140	29	920	920	NUM
eurjchem-1713	140	30	936	936	NUM
eurjchem-1713	140	31	924	924	NUM
eurjchem-1713	140	32	930	930	NUM
eurjchem-1713	140	33	r	r	NOUN
eurjchem-1713	140	34	o	o	NOUN
eurjchem-1713	140	35	…	…	SYM
eurjchem-1713	140	36	o	o	X
eurjchem-1713	140	37	c	c	NOUN
eurjchem-1713	140	38	2.530	2.530	NUM
eurjchem-1713	140	39	2.553	2.553	NUM
eurjchem-1713	140	40	2.542	2.542	NUM
eurjchem-1713	140	41	2.521	2.521	NUM
eurjchem-1713	140	42	2.537	2.537	NUM
eurjchem-1713	140	43	2.529	2.529	NUM
eurjchem-1713	140	44	r	r	NOUN
eurjchem-1713	140	45	o	o	NOUN
eurjchem-1713	140	46	-	-	NOUN
eurjchem-1713	140	47	h	h	NOUN
eurjchem-1713	140	48	c	c	NOUN
eurjchem-1713	140	49	1.004	1.004	NUM
eurjchem-1713	140	50	0.999	0.999	NUM
eurjchem-1713	140	51	1.002	1.002	NUM
eurjchem-1713	140	52	1.007	1.007	NUM
eurjchem-1713	140	53	1.003	1.003	NUM
eurjchem-1713	140	54	1.005	1.005	NUM
eurjchem-1713	140	55	r	r	NOUN
eurjchem-1713	140	56	o	o	NOUN
eurjchem-1713	140	57	…	…	PUNCT
eurjchem-1713	140	58	h	h	NOUN
eurjchem-1713	140	59	1.631	1.631	NUM
eurjchem-1713	140	60	1.650	1.650	NUM
eurjchem-1713	140	61	1.641	1.641	NUM
eurjchem-1713	140	62	1.613	1.613	NUM
eurjchem-1713	140	63	1.623	1.623	NUM
eurjchem-1713	140	64	1.618	1.618	NUM
eurjchem-1713	140	65	<	<	NOUN
eurjchem-1713	140	66	oho	oho	PROPN
eurjchem-1713	140	67	c	c	PROPN
eurjchem-1713	140	68	146.6	146.6	NUM
eurjchem-1713	140	69	147.9	147.9	NUM
eurjchem-1713	140	70	147.3	147.3	NUM
eurjchem-1713	140	71	147.5	147.5	NUM
eurjchem-1713	140	72	149.2	149.2	NUM
eurjchem-1713	140	73	148.4	148.4	NUM
eurjchem-1713	140	74	ehbd	ehbd	NOUN
eurjchem-1713	140	75	18.3	18.3	NUM
eurjchem-1713	140	76	17.0	17.0	NUM
eurjchem-1713	140	77	17.7	17.7	NUM
eurjchem-1713	140	78	19.4	19.4	NUM
eurjchem-1713	140	79	18.6	18.6	NUM
eurjchem-1713	140	80	19.0	19.0	NUM
eurjchem-1713	140	81	ρbcp	ρbcp	NOUN
eurjchem-1713	140	82	0.0575	0.0575	NUM
eurjchem-1713	140	83	0.0544	0.0544	NUM
eurjchem-1713	140	84	0.0559	0.0559	NUM
eurjchem-1713	140	85	0.0601	0.0601	NUM
eurjchem-1713	140	86	0.0582	0.0582	NUM
eurjchem-1713	140	87	0.0591	0.0591	NUM
eurjchem-1713	140	88	∇2ρbcp	∇2ρbcp	PROPN
eurjchem-1713	140	89	-0.1477	-0.1477	PROPN
eurjchem-1713	140	90	-0.1458	-0.1458	PROPN
eurjchem-1713	140	91	-0.1468	-0.1468	PROPN
eurjchem-1713	140	92	-0.1493	-0.1493	PROPN
eurjchem-1713	141	1	-0.1489	-0.1489	PROPN
eurjchem-1713	141	2	-0.1491	-0.1491	PUNCT
eurjchem-1713	142	1	lp(1)o	lp(1)o	PROPN
eurjchem-1713	142	2	→	→	SYM
eurjchem-1713	142	3	σ*o	σ*o	PROPN
eurjchem-1713	142	4	-	-	NOUN
eurjchem-1713	142	5	h	h	NOUN
eurjchem-1713	142	6	4.19	4.19	NUM
eurjchem-1713	142	7	3.91	3.91	NUM
eurjchem-1713	142	8	4.05	4.05	NUM
eurjchem-1713	142	9	4.34	4.34	NUM
eurjchem-1713	142	10	4.21	4.21	NUM
eurjchem-1713	142	11	4.28	4.28	NUM
eurjchem-1713	142	12	lp(2)o	lp(2)o	PROPN
eurjchem-1713	142	13	→	→	SYM
eurjchem-1713	142	14	σ*o	σ*o	X
eurjchem-1713	142	15	-	-	NOUN
eurjchem-1713	142	16	h	h	NOUN
eurjchem-1713	142	17	26.9	26.9	NUM
eurjchem-1713	142	18	24.11	24.11	NUM
eurjchem-1713	142	19	25.51	25.51	NUM
eurjchem-1713	142	20	29.36	29.36	NUM
eurjchem-1713	142	21	27.31	27.31	NUM
eurjchem-1713	142	22	28.34	28.34	NUM
eurjchem-1713	142	23	σlp(1,2)o	σlp(1,2)o	NOUN
eurjchem-1713	142	24	→	→	SYM
eurjchem-1713	142	25	σ*o	σ*o	NOUN
eurjchem-1713	142	26	-	-	NOUN
eurjchem-1713	142	27	h	h	NOUN
eurjchem-1713	142	28	31.09	31.09	NUM
eurjchem-1713	142	29	28.02	28.02	NUM
eurjchem-1713	142	30	29.56	29.56	NUM
eurjchem-1713	142	31	33.70	33.70	NUM
eurjchem-1713	142	32	31.52	31.52	NUM
eurjchem-1713	142	33	32.61	32.61	NUM
eurjchem-1713	142	34	∆e(homo	∆e(homo	NOUN
eurjchem-1713	142	35	-	-	PUNCT
eurjchem-1713	142	36	lumo	lumo	NOUN
eurjchem-1713	142	37	)	)	PUNCT
eurjchem-1713	142	38	e	e	NOUN
eurjchem-1713	142	39	3.99	3.99	NUM
eurjchem-1713	142	40	4.10	4.10	NUM
eurjchem-1713	142	41	4.45	4.45	NUM
eurjchem-1713	142	42	4.34	4.34	NUM
eurjchem-1713	142	43	4.03	4.03	NUM
eurjchem-1713	142	44	4.19	4.19	NUM
eurjchem-1713	142	45	a	a	DET
eurjchem-1713	142	46	all	all	ADV
eurjchem-1713	142	47	calculated	calculate	VERB
eurjchem-1713	142	48	at	at	ADP
eurjchem-1713	142	49	the	the	DET
eurjchem-1713	142	50	b3lyp/6	b3lyp/6	NOUN
eurjchem-1713	142	51	-	-	PUNCT
eurjchem-1713	142	52	311++g	311++g	ADJ
eurjchem-1713	142	53	*	*	NOUN
eurjchem-1713	142	54	*	*	NOUN
eurjchem-1713	142	55	level	level	NOUN
eurjchem-1713	142	56	of	of	ADP
eurjchem-1713	142	57	theory	theory	NOUN
eurjchem-1713	142	58	.	.	PUNCT
eurjchem-1713	143	1	the	the	DET
eurjchem-1713	143	2	experimental	experimental	ADJ
eurjchem-1713	143	3	values	value	NOUN
eurjchem-1713	143	4	are	be	AUX
eurjchem-1713	143	5	in	in	ADP
eurjchem-1713	143	6	parentheses	parenthesis	NOUN
eurjchem-1713	143	7	from	from	ADP
eurjchem-1713	143	8	ref	ref	NOUN
eurjchem-1713	143	9	.	.	PUNCT
eurjchem-1713	144	1	[	[	X
eurjchem-1713	144	2	36,37,43	36,37,43	NUM
eurjchem-1713	144	3	-	-	SYM
eurjchem-1713	144	4	44	44	NUM
eurjchem-1713	144	5	]	]	PUNCT
eurjchem-1713	144	6	.	.	PUNCT
eurjchem-1713	145	1	b	b	X
eurjchem-1713	145	2	δ	δ	PROPN
eurjchem-1713	145	3	,	,	PUNCT
eurjchem-1713	145	4	proton	proton	NOUN
eurjchem-1713	145	5	chemical	chemical	NOUN
eurjchem-1713	145	6	shift	shift	NOUN
eurjchem-1713	145	7	in	in	ADP
eurjchem-1713	145	8	ppm	ppm	NOUN
eurjchem-1713	145	9	;	;	PUNCT
eurjchem-1713	145	10	υ	υ	NOUN
eurjchem-1713	145	11	and	and	CCONJ
eurjchem-1713	145	12	γ	γ	PROPN
eurjchem-1713	145	13	are	be	AUX
eurjchem-1713	145	14	stretching	stretch	VERB
eurjchem-1713	145	15	and	and	CCONJ
eurjchem-1713	145	16	out	out	ADP
eurjchem-1713	145	17	-	-	PUNCT
eurjchem-1713	145	18	of	of	ADP
eurjchem-1713	145	19	-	-	PUNCT
eurjchem-1713	145	20	plane	plane	NOUN
eurjchem-1713	145	21	bending	bend	VERB
eurjchem-1713	145	22	modes	mode	NOUN
eurjchem-1713	145	23	frequencies	frequency	NOUN
eurjchem-1713	145	24	,	,	PUNCT
eurjchem-1713	145	25	respectively	respectively	ADV
eurjchem-1713	145	26	,	,	PUNCT
eurjchem-1713	145	27	in	in	ADP
eurjchem-1713	145	28	cm	cm	NOUN
eurjchem-1713	145	29	-1	-1	PUNCT
eurjchem-1713	145	30	.	.	PUNCT
eurjchem-1713	146	1	c	c	NOUN
eurjchem-1713	147	1	r	r	NOUN
eurjchem-1713	147	2	is	be	AUX
eurjchem-1713	147	3	bond	bond	NOUN
eurjchem-1713	147	4	length	length	NOUN
eurjchem-1713	147	5	in	in	ADP
eurjchem-1713	147	6	å	å	PROPN
eurjchem-1713	147	7	,	,	PUNCT
eurjchem-1713	147	8	<	<	X
eurjchem-1713	147	9	is	be	AUX
eurjchem-1713	147	10	the	the	DET
eurjchem-1713	147	11	bond	bond	NOUN
eurjchem-1713	147	12	angle	angle	NOUN
eurjchem-1713	147	13	in	in	ADP
eurjchem-1713	147	14	degrees	degree	NOUN
eurjchem-1713	147	15	.	.	PUNCT
eurjchem-1713	148	1	d	d	X
eurjchem-1713	148	2	ehb	ehb	PROPN
eurjchem-1713	148	3	is	be	AUX
eurjchem-1713	148	4	the	the	DET
eurjchem-1713	148	5	ihb	ihb	PRON
eurjchem-1713	148	6	strength	strength	NOUN
eurjchem-1713	148	7	according	accord	VERB
eurjchem-1713	148	8	to	to	ADP
eurjchem-1713	148	9	method	method	NOUN
eurjchem-1713	148	10	of	of	ADP
eurjchem-1713	148	11	espinosa	espinosa	PROPN
eurjchem-1713	148	12	et	et	PROPN
eurjchem-1713	148	13	al	al	PROPN
eurjchem-1713	148	14	.	.	PUNCT
eurjchem-1713	149	1	[	[	X
eurjchem-1713	149	2	42	42	NUM
eurjchem-1713	149	3	]	]	PUNCT
eurjchem-1713	149	4	in	in	ADP
eurjchem-1713	149	5	kcal	kcal	PROPN
eurjchem-1713	149	6	/	/	SYM
eurjchem-1713	149	7	mol	mol	PROPN
eurjchem-1713	149	8	.	.	PUNCT
eurjchem-1713	150	1	e	e	PROPN
eurjchem-1713	150	2	the	the	DET
eurjchem-1713	150	3	energy	energy	NOUN
eurjchem-1713	150	4	difference	difference	NOUN
eurjchem-1713	150	5	between	between	ADP
eurjchem-1713	150	6	homo	homo	NOUN
eurjchem-1713	150	7	and	and	CCONJ
eurjchem-1713	150	8	lumo	lumo	NOUN
eurjchem-1713	150	9	orbitals	orbital	NOUN
eurjchem-1713	150	10	in	in	ADP
eurjchem-1713	150	11	ev	ev	PROPN
eurjchem-1713	150	12	.	.	PROPN
eurjchem-1713	150	13	3.2	3.2	NUM
eurjchem-1713	150	14	.	.	PUNCT
eurjchem-1713	151	1	the	the	DET
eurjchem-1713	151	2	correlations	correlation	NOUN
eurjchem-1713	151	3	of	of	ADP
eurjchem-1713	151	4	some	some	DET
eurjchem-1713	151	5	calculated	calculate	VERB
eurjchem-1713	151	6	and	and	CCONJ
eurjchem-1713	151	7	observed	observed	ADJ
eurjchem-1713	151	8	parameters	parameter	NOUN
eurjchem-1713	151	9	with	with	ADP
eurjchem-1713	151	10	the	the	DET
eurjchem-1713	151	11	ihb	ihb	PRON
eurjchem-1713	151	12	strength	strength	NOUN
eurjchem-1713	151	13	and	and	CCONJ
eurjchem-1713	151	14	para	para	PROPN
eurjchem-1713	151	15	hammett	hammett	PROPN
eurjchem-1713	151	16	substituent	substituent	PROPN
eurjchem-1713	151	17	constant	constant	ADJ
eurjchem-1713	151	18	,	,	PUNCT
eurjchem-1713	151	19	σp	σp	ADP
eurjchem-1713	151	20	the	the	DET
eurjchem-1713	151	21	hammett	hammett	PROPN
eurjchem-1713	151	22	equation	equation	NOUN
eurjchem-1713	151	23	,	,	PUNCT
eurjchem-1713	151	24	as	as	ADP
eurjchem-1713	151	25	a	a	DET
eurjchem-1713	151	26	linear	linear	ADJ
eurjchem-1713	151	27	free	free	ADJ
eurjchem-1713	151	28	energy	energy	NOUN
eurjchem-1713	151	29	relationship	relationship	NOUN
eurjchem-1713	151	30	,	,	PUNCT
eurjchem-1713	151	31	is	be	AUX
eurjchem-1713	151	32	written	write	VERB
eurjchem-1713	151	33	in	in	ADP
eurjchem-1713	151	34	terms	term	NOUN
eurjchem-1713	151	35	of	of	ADP
eurjchem-1713	151	36	equilibrium	equilibrium	NOUN
eurjchem-1713	151	37	constants	constant	NOUN
eurjchem-1713	151	38	as	as	ADP
eurjchem-1713	151	39	equation	equation	NOUN
eurjchem-1713	151	40	(	(	PUNCT
eurjchem-1713	151	41	2	2	NUM
eurjchem-1713	151	42	)	)	PUNCT
eurjchem-1713	152	1	[	[	X
eurjchem-1713	152	2	18	18	NUM
eurjchem-1713	152	3	]	]	PUNCT
eurjchem-1713	152	4	,	,	PUNCT
eurjchem-1713	152	5	log10	log10	PROPN
eurjchem-1713	152	6	k	k	PROPN
eurjchem-1713	152	7	=	=	PROPN
eurjchem-1713	152	8	ρσlog10	ρσlog10	PROPN
eurjchem-1713	152	9	ko	ko	PROPN
eurjchem-1713	152	10	(	(	PUNCT
eurjchem-1713	152	11	2	2	NUM
eurjchem-1713	152	12	)	)	PUNCT
eurjchem-1713	152	13	the	the	DET
eurjchem-1713	152	14	ihb	ihb	DET
eurjchem-1713	152	15	strength	strength	NOUN
eurjchem-1713	152	16	of	of	ADP
eurjchem-1713	152	17	o	o	NOUN
eurjchem-1713	152	18	…	…	SYM
eurjchem-1713	152	19	h	h	NOUN
eurjchem-1713	152	20	-	-	PUNCT
eurjchem-1713	152	21	o	o	NOUN
eurjchem-1713	152	22	systems	system	NOUN
eurjchem-1713	152	23	is	be	AUX
eurjchem-1713	152	24	one	one	NUM
eurjchem-1713	152	25	of	of	ADP
eurjchem-1713	152	26	the	the	DET
eurjchem-1713	152	27	most	most	ADV
eurjchem-1713	152	28	surprising	surprising	ADJ
eurjchem-1713	152	29	examples	example	NOUN
eurjchem-1713	152	30	of	of	ADP
eurjchem-1713	152	31	intramolecular	intramolecular	ADJ
eurjchem-1713	152	32	hydrogen	hydrogen	NOUN
eurjchem-1713	152	33	bond	bond	NOUN
eurjchem-1713	152	34	.	.	PUNCT
eurjchem-1713	153	1	in	in	ADP
eurjchem-1713	153	2	this	this	DET
eurjchem-1713	153	3	work	work	NOUN
eurjchem-1713	153	4	,	,	PUNCT
eurjchem-1713	153	5	we	we	PRON
eurjchem-1713	153	6	correlated	correlate	VERB
eurjchem-1713	153	7	the	the	DET
eurjchem-1713	153	8	calculated	calculated	ADJ
eurjchem-1713	153	9	and	and	CCONJ
eurjchem-1713	153	10	experimental	experimental	ADJ
eurjchem-1713	153	11	parameters	parameter	NOUN
eurjchem-1713	153	12	related	relate	VERB
eurjchem-1713	153	13	to	to	ADP
eurjchem-1713	153	14	the	the	DET
eurjchem-1713	153	15	ihb	ihb	PRON
eurjchem-1713	153	16	strength	strength	NOUN
eurjchem-1713	153	17	with	with	ADP
eurjchem-1713	153	18	electrophilic	electrophilic	ADJ
eurjchem-1713	153	19	substituent	substituent	NOUN
eurjchem-1713	153	20	constants	constant	NOUN
eurjchem-1713	153	21	,	,	PUNCT
eurjchem-1713	153	22	σp	σp	NOUN
eurjchem-1713	153	23	,	,	PUNCT
eurjchem-1713	153	24	for	for	ADP
eurjchem-1713	153	25	some	some	DET
eurjchem-1713	153	26	para	para	NOUN
eurjchem-1713	153	27	-	-	PUNCT
eurjchem-1713	153	28	substitutions	substitution	NOUN
eurjchem-1713	153	29	of	of	ADP
eurjchem-1713	153	30	target	target	NOUN
eurjchem-1713	153	31	molecules	molecule	NOUN
eurjchem-1713	153	32	.	.	PUNCT
eurjchem-1713	154	1	2018	2018	NUM
eurjchem-1713	154	2	–	–	PUNCT
eurjchem-1713	154	3	european	european	ADJ
eurjchem-1713	154	4	journal	journal	NOUN
eurjchem-1713	154	5	of	of	ADP
eurjchem-1713	154	6	chemistry	chemistry	NOUN
eurjchem-1713	154	7	–	–	PUNCT
eurjchem-1713	154	8	cc	cc	NOUN
eurjchem-1713	154	9	by	by	ADP
eurjchem-1713	154	10	nc	nc	PROPN
eurjchem-1713	154	11	–	–	PUNCT
eurjchem-1713	154	12	doi	doi	NOUN
eurjchem-1713	154	13	:	:	PUNCT
eurjchem-1713	154	14	10.5155	10.5155	NUM
eurjchem-1713	154	15	/	/	SYM
eurjchem-1713	154	16	eurjchem.9.3.213	eurjchem.9.3.213	PROPN
eurjchem-1713	154	17	-	-	SYM
eurjchem-1713	154	18	221.1713	221.1713	NUM
eurjchem-1713	154	19	darugar	darugar	NOUN
eurjchem-1713	154	20	et	et	PROPN
eurjchem-1713	154	21	al	al	PROPN
eurjchem-1713	154	22	.	.	PUNCT
eurjchem-1713	154	23	/	/	SYM
eurjchem-1713	154	24	european	european	PROPN
eurjchem-1713	154	25	journal	journal	PROPN
eurjchem-1713	154	26	of	of	ADP
eurjchem-1713	154	27	chemistry	chemistry	NOUN
eurjchem-1713	154	28	9	9	NUM
eurjchem-1713	154	29	(	(	PUNCT
eurjchem-1713	154	30	3	3	NUM
eurjchem-1713	154	31	)	)	PUNCT
eurjchem-1713	154	32	(	(	PUNCT
eurjchem-1713	154	33	2018	2018	NUM
eurjchem-1713	154	34	)	)	PUNCT
eurjchem-1713	154	35	213	213	NUM
eurjchem-1713	154	36	-	-	SYM
eurjchem-1713	154	37	221	221	NUM
eurjchem-1713	154	38	217	217	NUM
eurjchem-1713	154	39	table	table	NOUN
eurjchem-1713	154	40	5	5	NUM
eurjchem-1713	154	41	.	.	PUNCT
eurjchem-1713	155	1	some	some	DET
eurjchem-1713	155	2	theoretical	theoretical	ADJ
eurjchem-1713	155	3	and	and	CCONJ
eurjchem-1713	155	4	experimental	experimental	ADJ
eurjchem-1713	155	5	parameters	parameter	NOUN
eurjchem-1713	155	6	related	relate	VERB
eurjchem-1713	155	7	to	to	ADP
eurjchem-1713	155	8	the	the	DET
eurjchem-1713	155	9	intramolecular	intramolecular	ADJ
eurjchem-1713	155	10	hydrogen	hydrogen	NOUN
eurjchem-1713	155	11	bond	bond	NOUN
eurjchem-1713	155	12	strength	strength	NOUN
eurjchem-1713	155	13	for	for	ADP
eurjchem-1713	155	14	the	the	DET
eurjchem-1713	155	15	x	x	ADJ
eurjchem-1713	155	16	-	-	NOUN
eurjchem-1713	155	17	adm-2/-4	adm-2/-4	ADJ
eurjchem-1713	155	18	molecules	molecule	NOUN
eurjchem-1713	155	19	and	and	CCONJ
eurjchem-1713	155	20	the	the	DET
eurjchem-1713	155	21	averaged	average	VERB
eurjchem-1713	155	22	values	value	NOUN
eurjchem-1713	155	23	.	.	PUNCT
eurjchem-1713	156	1	a	a	DET
eurjchem-1713	156	2	parameters	parameter	NOUN
eurjchem-1713	156	3	h	h	PROPN
eurjchem-1713	156	4	-	-	PUNCT
eurjchem-1713	156	5	adm	adm	PROPN
eurjchem-1713	156	6	cl	cl	NOUN
eurjchem-1713	156	7	-	-	PUNCT
eurjchem-1713	156	8	adm	adm	NOUN
eurjchem-1713	156	9	-2	-2	NOUN
eurjchem-1713	156	10	-4	-4	INTJ
eurjchem-1713	156	11	avg	avg	PROPN
eurjchem-1713	156	12	.	.	PUNCT
eurjchem-1713	157	1	x	x	X
eurjchem-1713	157	2	-	-	PUNCT
eurjchem-1713	157	3	ray	ray	NOUN
eurjchem-1713	158	1	c	c	NOUN
eurjchem-1713	158	2	-2	-2	INTJ
eurjchem-1713	158	3	-4	-4	INTJ
eurjchem-1713	158	4	avg	avg	PROPN
eurjchem-1713	158	5	.	.	PUNCT
eurjchem-1713	159	1	δ	δ	PROPN
eurjchem-1713	160	1	oh	oh	INTJ
eurjchem-1713	160	2	b	b	PROPN
eurjchem-1713	160	3	15.67	15.67	NUM
eurjchem-1713	160	4	15.20	15.20	NUM
eurjchem-1713	160	5	15.44(16.09	15.44(16.09	NUM
eurjchem-1713	160	6	)	)	PUNCT
eurjchem-1713	160	7	15.49	15.49	NUM
eurjchem-1713	160	8	15.34	15.34	NUM
eurjchem-1713	160	9	15.42(15.96	15.42(15.96	NUM
eurjchem-1713	160	10	)	)	PUNCT
eurjchem-1713	161	1	ν	ν	NOUN
eurjchem-1713	162	1	oh	oh	INTJ
eurjchem-1713	162	2	3000	3000	NUM
eurjchem-1713	162	3	3036	3036	NUM
eurjchem-1713	162	4	3018	3018	NUM
eurjchem-1713	162	5	3014	3014	NUM
eurjchem-1713	162	6	3026	3026	NUM
eurjchem-1713	162	7	3020	3020	NUM
eurjchem-1713	162	8	γ	γ	X
eurjchem-1713	162	9	oh	oh	INTJ
eurjchem-1713	162	10	995	995	NUM
eurjchem-1713	162	11	960	960	NUM
eurjchem-1713	162	12	978	978	NUM
eurjchem-1713	162	13	991	991	NUM
eurjchem-1713	162	14	958	958	NUM
eurjchem-1713	162	15	975	975	NUM
eurjchem-1713	162	16	r	r	NOUN
eurjchem-1713	162	17	o	o	NOUN
eurjchem-1713	162	18	…	…	PROPN
eurjchem-1713	162	19	o	o	NOUN
eurjchem-1713	162	20	2.519	2.519	NUM
eurjchem-1713	162	21	2.531	2.531	NUM
eurjchem-1713	162	22	2.525	2.525	NUM
eurjchem-1713	162	23	2.488	2.488	NUM
eurjchem-1713	162	24	2.520	2.520	NUM
eurjchem-1713	162	25	2.528	2.528	NUM
eurjchem-1713	162	26	2.524	2.524	NUM
eurjchem-1713	162	27	r	r	NOUN
eurjchem-1713	162	28	o	o	NOUN
eurjchem-1713	162	29	-	-	NOUN
eurjchem-1713	162	30	h	h	NOUN
eurjchem-1713	162	31	1.007	1.007	NUM
eurjchem-1713	162	32	1.005	1.005	NUM
eurjchem-1713	162	33	1.006	1.006	NUM
eurjchem-1713	162	34	0.963	0.963	NUM
eurjchem-1713	162	35	1.006	1.006	NUM
eurjchem-1713	162	36	1.005	1.005	NUM
eurjchem-1713	162	37	1.006	1.006	NUM
eurjchem-1713	162	38	r	r	NOUN
eurjchem-1713	162	39	o	o	NOUN
eurjchem-1713	162	40	…	…	PUNCT
eurjchem-1713	162	41	h	h	NOUN
eurjchem-1713	162	42	1.602	1.602	NUM
eurjchem-1713	162	43	1.613	1.613	NUM
eurjchem-1713	162	44	1.608	1.608	NUM
eurjchem-1713	162	45	1.654	1.654	NUM
eurjchem-1713	162	46	1.606	1.606	NUM
eurjchem-1713	162	47	1.610	1.610	NUM
eurjchem-1713	162	48	1.608	1.608	NUM
eurjchem-1713	162	49	<	<	NOUN
eurjchem-1713	162	50	oho	oho	PROPN
eurjchem-1713	162	51	148.9	148.9	NUM
eurjchem-1713	162	52	149.6	149.6	NUM
eurjchem-1713	162	53	149.3	149.3	NUM
eurjchem-1713	162	54	142.4	142.4	NUM
eurjchem-1713	162	55	148.7	148.7	NUM
eurjchem-1713	162	56	149.6	149.6	NUM
eurjchem-1713	162	57	149.2	149.2	NUM
eurjchem-1713	162	58	ehb	ehb	NOUN
eurjchem-1713	162	59	20.1	20.1	NUM
eurjchem-1713	162	60	19.4	19.4	NUM
eurjchem-1713	162	61	19.8	19.8	NUM
eurjchem-1713	162	62	20.0	20.0	NUM
eurjchem-1713	162	63	19.7	19.7	NUM
eurjchem-1713	162	64	19.9	19.9	NUM
eurjchem-1713	162	65	ρbcp	ρbcp	NOUN
eurjchem-1713	162	66	0.0617	0.0617	NUM
eurjchem-1713	162	67	0.0600	0.0600	NUM
eurjchem-1713	162	68	0.0609	0.0609	NUM
eurjchem-1713	162	69	0.0615	0.0615	NUM
eurjchem-1713	162	70	0.0600	0.0600	NUM
eurjchem-1713	162	71	0.0608	0.0608	NUM
eurjchem-1713	162	72	∇2ρbcp	∇2ρbcp	PROPN
eurjchem-1713	162	73	-0.1518	-0.1518	NOUN
eurjchem-1713	162	74	-0.1502	-0.1502	ADJ
eurjchem-1713	162	75	-0.1510	-0.1510	ADJ
eurjchem-1713	162	76	-0.1515	-0.1515	NOUN
eurjchem-1713	162	77	-0.1500	-0.1500	NOUN
eurjchem-1713	162	78	-0.1508	-0.1508	NOUN
eurjchem-1713	163	1	lp(1)o→σ*o	lp(1)o→σ*o	PROPN
eurjchem-1713	163	2	-	-	PUNCT
eurjchem-1713	163	3	h	h	NOUN
eurjchem-1713	163	4	4.30	4.30	NUM
eurjchem-1713	163	5	3.85	3.85	NUM
eurjchem-1713	163	6	4.08	4.08	NUM
eurjchem-1713	163	7	4.25	4.25	NUM
eurjchem-1713	163	8	3.80	3.80	NUM
eurjchem-1713	163	9	4.03	4.03	NUM
eurjchem-1713	163	10	lp(2)o→σ*o	lp(2)o→σ*o	PROPN
eurjchem-1713	163	11	-	-	PUNCT
eurjchem-1713	163	12	h	h	NOUN
eurjchem-1713	163	13	30.58	30.58	NUM
eurjchem-1713	163	14	29.10	29.10	NUM
eurjchem-1713	163	15	29.84	29.84	NUM
eurjchem-1713	164	1	30.50	30.50	NUM
eurjchem-1713	164	2	29.00	29.00	NUM
eurjchem-1713	164	3	29.75	29.75	NUM
eurjchem-1713	164	4	σlp(1,2)o→σ*o	σlp(1,2)o→σ*o	PROPN
eurjchem-1713	164	5	-	-	PROPN
eurjchem-1713	164	6	h	h	PROPN
eurjchem-1713	164	7	34.88	34.88	NUM
eurjchem-1713	164	8	32.95	32.95	NUM
eurjchem-1713	164	9	33.92	33.92	NUM
eurjchem-1713	164	10	34.75	34.75	NUM
eurjchem-1713	164	11	32.80	32.80	NUM
eurjchem-1713	164	12	33.78	33.78	NUM
eurjchem-1713	164	13	∆e(homo	∆e(homo	NOUN
eurjchem-1713	164	14	-	-	PUNCT
eurjchem-1713	164	15	lumo	lumo	NOUN
eurjchem-1713	164	16	)	)	PUNCT
eurjchem-1713	164	17	4.61	4.61	NUM
eurjchem-1713	164	18	4.37	4.37	NUM
eurjchem-1713	164	19	4.49	4.49	NUM
eurjchem-1713	164	20	4.53	4.53	NUM
eurjchem-1713	164	21	4.27	4.27	NUM
eurjchem-1713	164	22	4.40	4.40	NUM
eurjchem-1713	164	23	ch3	ch3	PROPN
eurjchem-1713	164	24	-	-	PUNCT
eurjchem-1713	164	25	adm	adm	PROPN
eurjchem-1713	164	26	och3	och3	PROPN
eurjchem-1713	164	27	-	-	PUNCT
eurjchem-1713	164	28	adm	adm	PROPN
eurjchem-1713	164	29	-2	-2	INTJ
eurjchem-1713	164	30	-4	-4	PROPN
eurjchem-1713	164	31	avg	avg	PROPN
eurjchem-1713	164	32	.	.	PUNCT
eurjchem-1713	165	1	x	x	X
eurjchem-1713	165	2	-	-	PUNCT
eurjchem-1713	165	3	ray	ray	NOUN
eurjchem-1713	166	1	c	c	NOUN
eurjchem-1713	166	2	-2	-2	INTJ
eurjchem-1713	166	3	-4	-4	INTJ
eurjchem-1713	166	4	avg	avg	PROPN
eurjchem-1713	166	5	.	.	PUNCT
eurjchem-1713	167	1	δ	δ	PROPN
eurjchem-1713	168	1	oh	oh	INTJ
eurjchem-1713	168	2	b	b	PROPN
eurjchem-1713	168	3	15.59	15.59	NUM
eurjchem-1713	168	4	15.18	15.18	NUM
eurjchem-1713	168	5	15.39(16.10	15.39(16.10	NUM
eurjchem-1713	168	6	)	)	PUNCT
eurjchem-1713	168	7	15.64	15.64	NUM
eurjchem-1713	168	8	15.21	15.21	NUM
eurjchem-1713	168	9	15.43(16.11	15.43(16.11	NUM
eurjchem-1713	168	10	)	)	PUNCT
eurjchem-1713	168	11	ν	ν	NOUN
eurjchem-1713	169	1	oh	oh	NUM
eurjchem-1713	169	2	2988	2988	NUM
eurjchem-1713	169	3	3020	3020	NUM
eurjchem-1713	169	4	3004	3004	NUM
eurjchem-1713	169	5	2986	2986	NUM
eurjchem-1713	169	6	3015	3015	NUM
eurjchem-1713	169	7	3001	3001	NUM
eurjchem-1713	170	1	γ	γ	NOUN
eurjchem-1713	170	2	oh	oh	NUM
eurjchem-1713	170	3	997	997	NUM
eurjchem-1713	170	4	965	965	NUM
eurjchem-1713	170	5	981	981	NUM
eurjchem-1713	170	6	998	998	NUM
eurjchem-1713	170	7	970	970	NUM
eurjchem-1713	170	8	984	984	NUM
eurjchem-1713	170	9	r	r	NOUN
eurjchem-1713	170	10	o	o	NOUN
eurjchem-1713	170	11	…	…	PROPN
eurjchem-1713	170	12	o	o	NOUN
eurjchem-1713	170	13	2.517	2.517	NUM
eurjchem-1713	170	14	2.529	2.529	NUM
eurjchem-1713	170	15	2.523	2.523	NUM
eurjchem-1713	170	16	2.511	2.511	NUM
eurjchem-1713	170	17	2.516	2.516	NUM
eurjchem-1713	170	18	2.521	2.521	NUM
eurjchem-1713	170	19	2.519	2.519	NUM
eurjchem-1713	170	20	r	r	NOUN
eurjchem-1713	170	21	o	o	NOUN
eurjchem-1713	170	22	-	-	NOUN
eurjchem-1713	170	23	h	h	NOUN
eurjchem-1713	170	24	1.007	1.007	NUM
eurjchem-1713	170	25	1.005	1.005	NUM
eurjchem-1713	170	26	1.006	1.006	NUM
eurjchem-1713	170	27	0.904	0.904	NUM
eurjchem-1713	170	28	1.008	1.008	NUM
eurjchem-1713	170	29	1.006	1.006	NUM
eurjchem-1713	170	30	1.007	1.007	NUM
eurjchem-1713	170	31	r	r	NOUN
eurjchem-1713	170	32	o	o	NOUN
eurjchem-1713	170	33	…	…	PUNCT
eurjchem-1713	170	34	h	h	NOUN
eurjchem-1713	170	35	1.599	1.599	NUM
eurjchem-1713	170	36	1.609	1.609	NUM
eurjchem-1713	170	37	1.604	1.604	NUM
eurjchem-1713	170	38	1.731	1.731	NUM
eurjchem-1713	170	39	1.597	1.597	NUM
eurjchem-1713	170	40	1.609	1.609	NUM
eurjchem-1713	170	41	1.600	1.600	NUM
eurjchem-1713	170	42	<	<	X
eurjchem-1713	170	43	oho	oho	NOUN
eurjchem-1713	170	44	149.0	149.0	NUM
eurjchem-1713	170	45	149.9	149.9	NUM
eurjchem-1713	170	46	149.5	149.5	NUM
eurjchem-1713	170	47	143.0	143.0	NUM
eurjchem-1713	170	48	149.1	149.1	NUM
eurjchem-1713	170	49	149.9	149.9	NUM
eurjchem-1713	170	50	149.5	149.5	NUM
eurjchem-1713	170	51	ehb	ehb	NOUN
eurjchem-1713	170	52	20.3	20.3	NUM
eurjchem-1713	170	53	20.0	20.0	NUM
eurjchem-1713	170	54	20.2	20.2	NUM
eurjchem-1713	170	55	20.5	20.5	NUM
eurjchem-1713	170	56	21.0	21.0	NUM
eurjchem-1713	170	57	20.8	20.8	NUM
eurjchem-1713	170	58	ρbcp	ρbcp	NOUN
eurjchem-1713	170	59	0.0622	0.0622	NUM
eurjchem-1713	170	60	0.0606	0.0606	NUM
eurjchem-1713	170	61	0.0614	0.0614	NUM
eurjchem-1713	170	62	0.0625	0.0625	NUM
eurjchem-1713	170	63	0.0610	0.0610	NUM
eurjchem-1713	170	64	0.0618	0.0618	NUM
eurjchem-1713	170	65	∇2ρbcp	∇2ρbcp	PROPN
eurjchem-1713	170	66	-0.1522	-0.1522	NOUN
eurjchem-1713	170	67	-0.1507	-0.1507	NOUN
eurjchem-1713	170	68	-0.1515	-0.1515	PROPN
eurjchem-1713	170	69	-0.1524	-0.1524	PROPN
eurjchem-1713	170	70	-0.1510	-0.1510	PROPN
eurjchem-1713	170	71	-0.1517	-0.1517	PUNCT
eurjchem-1713	171	1	lp(1)o→σ*o	lp(1)o→σ*o	X
eurjchem-1713	171	2	-	-	PUNCT
eurjchem-1713	171	3	h	h	NOUN
eurjchem-1713	171	4	4.35	4.35	NUM
eurjchem-1713	171	5	3.95	3.95	NUM
eurjchem-1713	171	6	4.15	4.15	NUM
eurjchem-1713	171	7	4.40	4.40	NUM
eurjchem-1713	171	8	4.00	4.00	NUM
eurjchem-1713	171	9	4.20	4.20	NUM
eurjchem-1713	171	10	lp(2)o→σ*o	lp(2)o→σ*o	NOUN
eurjchem-1713	171	11	-	-	PUNCT
eurjchem-1713	171	12	h	h	PROPN
eurjchem-1713	171	13	31.00	31.00	NUM
eurjchem-1713	171	14	30.00	30.00	NUM
eurjchem-1713	171	15	30.50	30.50	NUM
eurjchem-1713	171	16	31.33	31.33	NUM
eurjchem-1713	171	17	31.50	31.50	NUM
eurjchem-1713	171	18	31.42	31.42	NUM
eurjchem-1713	171	19	σlp(1,2)o→σ*o	σlp(1,2)o→σ*o	PROPN
eurjchem-1713	171	20	-	-	PROPN
eurjchem-1713	171	21	h	h	PROPN
eurjchem-1713	171	22	35.35	35.35	NUM
eurjchem-1713	171	23	33.95	33.95	NUM
eurjchem-1713	171	24	34.65	34.65	NUM
eurjchem-1713	171	25	35.73	35.73	NUM
eurjchem-1713	171	26	33.50	33.50	NUM
eurjchem-1713	171	27	35.62	35.62	NUM
eurjchem-1713	171	28	∆e(homo	∆e(homo	NOUN
eurjchem-1713	171	29	-	-	PUNCT
eurjchem-1713	171	30	lumo	lumo	NOUN
eurjchem-1713	171	31	)	)	PUNCT
eurjchem-1713	171	32	4.61	4.61	NUM
eurjchem-1713	171	33	4.38	4.38	NUM
eurjchem-1713	171	34	4.50	4.50	NUM
eurjchem-1713	171	35	4.48	4.48	NUM
eurjchem-1713	171	36	4.29	4.29	NUM
eurjchem-1713	171	37	4.39	4.39	NUM
eurjchem-1713	171	38	f	f	X
eurjchem-1713	171	39	-	-	PUNCT
eurjchem-1713	171	40	adm	adm	PROPN
eurjchem-1713	171	41	nh2	nh2	PROPN
eurjchem-1713	171	42	-	-	PUNCT
eurjchem-1713	171	43	adm	adm	PROPN
eurjchem-1713	171	44	-2	-2	NOUN
eurjchem-1713	171	45	-4	-4	PROPN
eurjchem-1713	171	46	avg	avg	PROPN
eurjchem-1713	171	47	.	.	PUNCT
eurjchem-1713	172	1	-2	-2	INTJ
eurjchem-1713	172	2	-4	-4	X
eurjchem-1713	173	1	avg	avg	PROPN
eurjchem-1713	173	2	.	.	PUNCT
eurjchem-1713	174	1	δ	δ	PROPN
eurjchem-1713	175	1	oh	oh	INTJ
eurjchem-1713	175	2	b	b	PROPN
eurjchem-1713	175	3	15.52	15.52	NUM
eurjchem-1713	175	4	15.28	15.28	NUM
eurjchem-1713	175	5	15.40(16.09	15.40(16.09	NUM
eurjchem-1713	175	6	)	)	PUNCT
eurjchem-1713	175	7	15.94	15.94	NUM
eurjchem-1713	175	8	15.60	15.60	NUM
eurjchem-1713	175	9	15.77(16.12	15.77(16.12	NUM
eurjchem-1713	175	10	)	)	PUNCT
eurjchem-1713	175	11	ν	ν	NOUN
eurjchem-1713	175	12	oh	oh	INTJ
eurjchem-1713	175	13	3011	3011	NUM
eurjchem-1713	175	14	3022	3022	NUM
eurjchem-1713	175	15	3017	3017	NUM
eurjchem-1713	175	16	2967	2967	NUM
eurjchem-1713	175	17	3005	3005	NUM
eurjchem-1713	175	18	2986	2986	NUM
eurjchem-1713	176	1	γ	γ	X
eurjchem-1713	176	2	oh	oh	INTJ
eurjchem-1713	176	3	992	992	NUM
eurjchem-1713	176	4	962	962	NUM
eurjchem-1713	176	5	977	977	NUM
eurjchem-1713	176	6	1002	1002	NUM
eurjchem-1713	176	7	975	975	NUM
eurjchem-1713	176	8	989	989	NUM
eurjchem-1713	176	9	r	r	NOUN
eurjchem-1713	176	10	o	o	NOUN
eurjchem-1713	176	11	…	…	PROPN
eurjchem-1713	176	12	o	o	NOUN
eurjchem-1713	176	13	2.520	2.520	NUM
eurjchem-1713	176	14	2.528	2.528	NUM
eurjchem-1713	176	15	2.524	2.524	NUM
eurjchem-1713	176	16	2.514	2.514	NUM
eurjchem-1713	176	17	2.506	2.506	NUM
eurjchem-1713	176	18	2.510	2.510	NUM
eurjchem-1713	176	19	r	r	NOUN
eurjchem-1713	176	20	o	o	NOUN
eurjchem-1713	176	21	-	-	NOUN
eurjchem-1713	176	22	h	h	NOUN
eurjchem-1713	176	23	1.006	1.006	NUM
eurjchem-1713	176	24	1.005	1.005	NUM
eurjchem-1713	176	25	1.006	1.006	NUM
eurjchem-1713	176	26	1.009	1.009	NUM
eurjchem-1713	176	27	1.008	1.008	NUM
eurjchem-1713	176	28	1.009	1.009	NUM
eurjchem-1713	176	29	r	r	NOUN
eurjchem-1713	176	30	o	o	NOUN
eurjchem-1713	176	31	…	…	PUNCT
eurjchem-1713	176	32	h	h	NOUN
eurjchem-1713	176	33	1.605	1.605	NUM
eurjchem-1713	176	34	1.609	1.609	NUM
eurjchem-1713	176	35	1.607	1.607	NUM
eurjchem-1713	176	36	1.592	1.592	NUM
eurjchem-1713	176	37	1.595	1.595	NUM
eurjchem-1713	176	38	1.594	1.594	NUM
eurjchem-1713	176	39	<	<	NOUN
eurjchem-1713	176	40	oho	oho	PROPN
eurjchem-1713	176	41	148.8	148.8	NUM
eurjchem-1713	176	42	149.7	149.7	NUM
eurjchem-1713	176	43	149.3	149.3	NUM
eurjchem-1713	176	44	149.4	149.4	NUM
eurjchem-1713	176	45	151.2	151.2	NUM
eurjchem-1713	176	46	150.3	150.3	NUM
eurjchem-1713	176	47	ehb	ehb	NOUN
eurjchem-1713	176	48	20.1	20.1	NUM
eurjchem-1713	176	49	19.6	19.6	NUM
eurjchem-1713	176	50	19.9	19.9	NUM
eurjchem-1713	176	51	20.8	20.8	NUM
eurjchem-1713	176	52	22.0	22.0	NUM
eurjchem-1713	176	53	21.4	21.4	NUM
eurjchem-1713	176	54	ρbcp	ρbcp	NOUN
eurjchem-1713	176	55	0.0610	0.0610	NUM
eurjchem-1713	177	1	0.0607	0.0607	NUM
eurjchem-1713	177	2	0.0609	0.0609	NUM
eurjchem-1713	177	3	0.0633	0.0633	NUM
eurjchem-1713	177	4	0.0620	0.0620	NUM
eurjchem-1713	177	5	0.0627	0.0627	NUM
eurjchem-1713	177	6	∇2ρbcp	∇2ρbcp	PROPN
eurjchem-1713	177	7	-0.1516	-0.1516	NOUN
eurjchem-1713	177	8	-0.1505	-0.1505	PROPN
eurjchem-1713	177	9	-0.1510	-0.1510	PROPN
eurjchem-1713	177	10	-0.1527	-0.1527	PROPN
eurjchem-1713	177	11	-0.1520	-0.1520	PROPN
eurjchem-1713	178	1	-0.1523	-0.1523	PROPN
eurjchem-1713	178	2	lp(1)o→σ*o	lp(1)o→σ*o	PROPN
eurjchem-1713	178	3	-	-	PUNCT
eurjchem-1713	178	4	h	h	NOUN
eurjchem-1713	178	5	4.31	4.31	NUM
eurjchem-1713	178	6	3.91	3.91	NUM
eurjchem-1713	178	7	4.11	4.11	NUM
eurjchem-1713	178	8	4.43	4.43	NUM
eurjchem-1713	178	9	4.20	4.20	NUM
eurjchem-1713	178	10	4.32	4.32	NUM
eurjchem-1713	178	11	lp(2)o→σ*o	lp(2)o→σ*o	PROPN
eurjchem-1713	178	12	-	-	PUNCT
eurjchem-1713	178	13	h	h	NOUN
eurjchem-1713	178	14	30.14	30.14	NUM
eurjchem-1713	178	15	29.98	29.98	NUM
eurjchem-1713	178	16	30.06	30.06	NUM
eurjchem-1713	178	17	32.09	32.09	NUM
eurjchem-1713	178	18	35.12	35.12	NUM
eurjchem-1713	178	19	33.61	33.61	NUM
eurjchem-1713	178	20	σlp(1,2)o→σ*o	σlp(1,2)o→σ*o	PROPN
eurjchem-1713	178	21	-	-	PROPN
eurjchem-1713	178	22	h	h	PROPN
eurjchem-1713	178	23	34.45	34.45	NUM
eurjchem-1713	178	24	33.89	33.89	NUM
eurjchem-1713	178	25	34.17	34.17	NUM
eurjchem-1713	178	26	36.52	36.52	NUM
eurjchem-1713	178	27	39.32	39.32	NUM
eurjchem-1713	178	28	37.92	37.92	NUM
eurjchem-1713	178	29	∆e(homo	∆e(homo	NOUN
eurjchem-1713	178	30	-	-	PUNCT
eurjchem-1713	178	31	lumo	lumo	NOUN
eurjchem-1713	178	32	)	)	PUNCT
eurjchem-1713	178	33	4.65	4.65	NUM
eurjchem-1713	178	34	4.44	4.44	NUM
eurjchem-1713	178	35	4.55	4.55	NUM
eurjchem-1713	178	36	4.24	4.24	NUM
eurjchem-1713	178	37	4.01	4.01	NUM
eurjchem-1713	178	38	4.13	4.13	NUM
eurjchem-1713	178	39	no2	no2	PROPN
eurjchem-1713	178	40	-	-	PUNCT
eurjchem-1713	178	41	adm	adm	PROPN
eurjchem-1713	178	42	cf3	cf3	PROPN
eurjchem-1713	178	43	-	-	PUNCT
eurjchem-1713	178	44	adm	adm	PROPN
eurjchem-1713	178	45	-2	-2	INTJ
eurjchem-1713	178	46	-4	-4	PROPN
eurjchem-1713	178	47	avg	avg	PROPN
eurjchem-1713	178	48	.	.	PUNCT
eurjchem-1713	179	1	x	x	X
eurjchem-1713	179	2	-	-	PUNCT
eurjchem-1713	179	3	ray	ray	NOUN
eurjchem-1713	180	1	c	c	NOUN
eurjchem-1713	180	2	-2	-2	INTJ
eurjchem-1713	180	3	-4	-4	INTJ
eurjchem-1713	180	4	avg	avg	PROPN
eurjchem-1713	180	5	.	.	PUNCT
eurjchem-1713	181	1	δ	δ	PROPN
eurjchem-1713	182	1	oh	oh	NUM
eurjchem-1713	182	2	b	b	PROPN
eurjchem-1713	182	3	15.47	15.47	NUM
eurjchem-1713	182	4	14.99	14.99	NUM
eurjchem-1713	182	5	15.23(15.70	15.23(15.70	NUM
eurjchem-1713	182	6	)	)	PUNCT
eurjchem-1713	182	7	15.49	15.49	NUM
eurjchem-1713	182	8	15.02	15.02	NUM
eurjchem-1713	182	9	15.26(15.85	15.26(15.85	NUM
eurjchem-1713	182	10	)	)	PUNCT
eurjchem-1713	182	11	νoh	νoh	NOUN
eurjchem-1713	182	12	3040	3040	NUM
eurjchem-1713	182	13	3055	3055	NUM
eurjchem-1713	182	14	3048	3048	NUM
eurjchem-1713	182	15	3028	3028	NUM
eurjchem-1713	182	16	3042	3042	NUM
eurjchem-1713	182	17	3035	3035	NUM
eurjchem-1713	182	18	γ	γ	X
eurjchem-1713	182	19	oh	oh	NUM
eurjchem-1713	182	20	986	986	NUM
eurjchem-1713	182	21	945	945	NUM
eurjchem-1713	182	22	971	971	NUM
eurjchem-1713	182	23	989	989	NUM
eurjchem-1713	182	24	953	953	NUM
eurjchem-1713	182	25	966	966	NUM
eurjchem-1713	182	26	r	r	NOUN
eurjchem-1713	182	27	o	o	NOUN
eurjchem-1713	182	28	…	…	PROPN
eurjchem-1713	182	29	o	o	NOUN
eurjchem-1713	182	30	2.527	2.527	NUM
eurjchem-1713	182	31	2.545	2.545	NUM
eurjchem-1713	182	32	2.536	2.536	NUM
eurjchem-1713	182	33	2.567	2.567	NUM
eurjchem-1713	182	34	2.524	2.524	NUM
eurjchem-1713	182	35	2.543	2.543	NUM
eurjchem-1713	182	36	2.534	2.534	NUM
eurjchem-1713	182	37	r	r	NOUN
eurjchem-1713	182	38	o	o	NOUN
eurjchem-1713	182	39	-	-	NOUN
eurjchem-1713	182	40	h	h	ADJ
eurjchem-1713	182	41	1.005	1.005	NUM
eurjchem-1713	182	42	1.003	1.003	NUM
eurjchem-1713	182	43	1.004	1.004	NUM
eurjchem-1713	182	44	0.865	0.865	NUM
eurjchem-1713	182	45	1.005	1.005	NUM
eurjchem-1713	182	46	1.004	1.004	NUM
eurjchem-1713	182	47	1.005	1.005	NUM
eurjchem-1713	182	48	r	r	NOUN
eurjchem-1713	182	49	o	o	NOUN
eurjchem-1713	182	50	…	…	PUNCT
eurjchem-1713	182	51	h	h	NOUN
eurjchem-1713	182	52	1.616	1.616	NUM
eurjchem-1713	182	53	1.634	1.634	NUM
eurjchem-1713	182	54	1.625	1.625	NUM
eurjchem-1713	182	55	1.758	1.758	NUM
eurjchem-1713	182	56	1.611	1.611	NUM
eurjchem-1713	182	57	1.631	1.631	NUM
eurjchem-1713	182	58	1.621	1.621	NUM
eurjchem-1713	182	59	<	<	X
eurjchem-1713	182	60	oho	oho	PROPN
eurjchem-1713	182	61	148.4	148.4	NUM
eurjchem-1713	182	62	148.8	148.8	NUM
eurjchem-1713	182	63	148.6	148.6	NUM
eurjchem-1713	182	64	155.0	155.0	NUM
eurjchem-1713	182	65	148.5	148.5	NUM
eurjchem-1713	182	66	148.7	148.7	NUM
eurjchem-1713	182	67	148.7	148.7	NUM
eurjchem-1713	182	68	ehbd	ehbd	NOUN
eurjchem-1713	182	69	19.2	19.2	NUM
eurjchem-1713	182	70	18.7	18.7	NUM
eurjchem-1713	182	71	19.0	19.0	NUM
eurjchem-1713	182	72	19.5	19.5	NUM
eurjchem-1713	182	73	18.5	18.5	NUM
eurjchem-1713	182	74	19.0	19.0	NUM
eurjchem-1713	182	75	ρbcp	ρbcp	NOUN
eurjchem-1713	182	76	0.0596	0.0596	NUM
eurjchem-1713	182	77	0.0584	0.0584	NUM
eurjchem-1713	182	78	0.0590	0.0590	NUM
eurjchem-1713	182	79	0.0603	0.0603	NUM
eurjchem-1713	182	80	0.0590	0.0590	NUM
eurjchem-1713	183	1	0.0597	0.0597	NUM
eurjchem-1713	183	2	∇2ρbcp	∇2ρbcp	PROPN
eurjchem-1713	183	3	-0.1506	-0.1506	NOUN
eurjchem-1713	183	4	-0.1487	-0.1487	INTJ
eurjchem-1713	184	1	-0.1497	-0.1497	PROPN
eurjchem-1713	185	1	-0.1511	-0.1511	PROPN
eurjchem-1713	185	2	-0.1490	-0.1490	PUNCT
eurjchem-1713	185	3	-0.1501	-0.1501	VERB
eurjchem-1713	185	4	lp(1)o→σ*o	lp(1)o→σ*o	NOUN
eurjchem-1713	185	5	-	-	PUNCT
eurjchem-1713	185	6	h	h	NOUN
eurjchem-1713	185	7	4.15	4.15	NUM
eurjchem-1713	185	8	3.69	3.69	NUM
eurjchem-1713	185	9	3.92	3.92	NUM
eurjchem-1713	185	10	4.21	4.21	NUM
eurjchem-1713	185	11	3.71	3.71	NUM
eurjchem-1713	185	12	3.96	3.96	NUM
eurjchem-1713	185	13	lp(2)o→σ*o	lp(2)o→σ*o	NOUN
eurjchem-1713	185	14	-	-	PUNCT
eurjchem-1713	185	15	h	h	NOUN
eurjchem-1713	185	16	28.63	28.63	NUM
eurjchem-1713	185	17	27.76	27.76	NUM
eurjchem-1713	185	18	28.26	28.26	NUM
eurjchem-1713	185	19	29.23	29.23	NUM
eurjchem-1713	185	20	27.28	27.28	NUM
eurjchem-1713	185	21	28.26	28.26	NUM
eurjchem-1713	185	22	σlp(1,2)o→σ*o	σlp(1,2)o→σ*o	PROPN
eurjchem-1713	185	23	-	-	PROPN
eurjchem-1713	185	24	h	h	PROPN
eurjchem-1713	185	25	32.78	32.78	NUM
eurjchem-1713	185	26	31.45	31.45	NUM
eurjchem-1713	185	27	32.12	32.12	NUM
eurjchem-1713	185	28	33.44	33.44	NUM
eurjchem-1713	185	29	30.99	30.99	NUM
eurjchem-1713	185	30	32.22	32.22	NUM
eurjchem-1713	185	31	∆e(homo	∆e(homo	NOUN
eurjchem-1713	185	32	-	-	PUNCT
eurjchem-1713	185	33	lumo	lumo	NOUN
eurjchem-1713	185	34	)	)	PUNCT
eurjchem-1713	185	35	3.98	3.98	NUM
eurjchem-1713	185	36	3.66	3.66	NUM
eurjchem-1713	185	37	3.82	3.82	NUM
eurjchem-1713	185	38	4.20	4.20	NUM
eurjchem-1713	185	39	3.90	3.90	NUM
eurjchem-1713	185	40	4.05	4.05	NUM
eurjchem-1713	185	41	a	a	DET
eurjchem-1713	185	42	all	all	ADV
eurjchem-1713	185	43	calculated	calculate	VERB
eurjchem-1713	185	44	at	at	ADP
eurjchem-1713	185	45	the	the	DET
eurjchem-1713	185	46	b3lyp/6	b3lyp/6	NOUN
eurjchem-1713	185	47	-	-	PUNCT
eurjchem-1713	185	48	311++g	311++g	ADJ
eurjchem-1713	185	49	*	*	NOUN
eurjchem-1713	185	50	*	*	NOUN
eurjchem-1713	185	51	level	level	NOUN
eurjchem-1713	185	52	of	of	ADP
eurjchem-1713	185	53	theory	theory	NOUN
eurjchem-1713	185	54	.	.	PUNCT
eurjchem-1713	186	1	the	the	DET
eurjchem-1713	186	2	experimental	experimental	ADJ
eurjchem-1713	186	3	values	value	NOUN
eurjchem-1713	186	4	are	be	AUX
eurjchem-1713	186	5	in	in	ADP
eurjchem-1713	186	6	parentheses	parenthesis	NOUN
eurjchem-1713	186	7	from	from	ADP
eurjchem-1713	186	8	ref	ref	NOUN
eurjchem-1713	186	9	.	.	PUNCT
eurjchem-1713	187	1	[	[	X
eurjchem-1713	187	2	36,37,43	36,37,43	NUM
eurjchem-1713	187	3	-	-	SYM
eurjchem-1713	187	4	44	44	NUM
eurjchem-1713	187	5	]	]	PUNCT
eurjchem-1713	187	6	.	.	PUNCT
eurjchem-1713	188	1	b	b	X
eurjchem-1713	189	1	the	the	DET
eurjchem-1713	189	2	experimental	experimental	ADJ
eurjchem-1713	189	3	values	value	NOUN
eurjchem-1713	189	4	are	be	AUX
eurjchem-1713	189	5	in	in	ADP
eurjchem-1713	189	6	parentheses	parenthesis	NOUN
eurjchem-1713	189	7	from	from	ADP
eurjchem-1713	189	8	ref	ref	NOUN
eurjchem-1713	189	9	.	.	PUNCT
eurjchem-1713	190	1	[	[	X
eurjchem-1713	190	2	21	21	NUM
eurjchem-1713	190	3	]	]	PUNCT
eurjchem-1713	190	4	.	.	PUNCT
eurjchem-1713	191	1	c	c	X
eurjchem-1713	191	2	the	the	DET
eurjchem-1713	191	3	experimental	experimental	ADJ
eurjchem-1713	191	4	x	x	ADJ
eurjchem-1713	191	5	-	-	NOUN
eurjchem-1713	191	6	ray	ray	NOUN
eurjchem-1713	191	7	values	value	NOUN
eurjchem-1713	191	8	from	from	ADP
eurjchem-1713	191	9	ref	ref	NOUN
eurjchem-1713	191	10	.	.	PUNCT
eurjchem-1713	192	1	[	[	X
eurjchem-1713	192	2	22	22	NUM
eurjchem-1713	192	3	]	]	PUNCT
eurjchem-1713	192	4	.	.	PUNCT
eurjchem-1713	193	1	the	the	DET
eurjchem-1713	193	2	regression	regression	NOUN
eurjchem-1713	193	3	coefficients	coefficient	NOUN
eurjchem-1713	193	4	of	of	ADP
eurjchem-1713	193	5	hammett	hammett	PROPN
eurjchem-1713	193	6	correla	correla	PROPN
eurjchem-1713	193	7	-	-	PUNCT
eurjchem-1713	193	8	tions	tion	NOUN
eurjchem-1713	193	9	of	of	ADP
eurjchem-1713	193	10	enol-2	enol-2	PROPN
eurjchem-1713	193	11	,	,	PUNCT
eurjchem-1713	193	12	enol-4	enol-4	NOUN
eurjchem-1713	193	13	,	,	PUNCT
eurjchem-1713	193	14	and	and	CCONJ
eurjchem-1713	193	15	their	their	PRON
eurjchem-1713	193	16	average	average	NOUN
eurjchem-1713	193	17	in	in	ADP
eurjchem-1713	193	18	target	target	NOUN
eurjchem-1713	193	19	molecules	molecule	NOUN
eurjchem-1713	193	20	are	be	AUX
eurjchem-1713	193	21	shown	show	VERB
eurjchem-1713	193	22	in	in	ADP
eurjchem-1713	193	23	tables	table	NOUN
eurjchem-1713	193	24	6	6	NUM
eurjchem-1713	193	25	-	-	SYM
eurjchem-1713	193	26	8	8	NUM
eurjchem-1713	193	27	.	.	PUNCT
eurjchem-1713	194	1	these	these	DET
eurjchem-1713	194	2	tables	table	NOUN
eurjchem-1713	194	3	show	show	VERB
eurjchem-1713	194	4	good	good	ADJ
eurjchem-1713	194	5	linear	linear	ADJ
eurjchem-1713	194	6	correlations	correlation	NOUN
eurjchem-1713	194	7	between	between	ADP
eurjchem-1713	194	8	some	some	DET
eurjchem-1713	194	9	the	the	DET
eurjchem-1713	194	10	mentioned	mention	VERB
eurjchem-1713	194	11	parameters	parameter	NOUN
eurjchem-1713	194	12	with	with	ADP
eurjchem-1713	194	13	σp	σp	NOUN
eurjchem-1713	194	14	,	,	PUNCT
eurjchem-1713	194	15	as	as	ADP
eurjchem-1713	194	16	equation	equation	NOUN
eurjchem-1713	194	17	(	(	PUNCT
eurjchem-1713	194	18	3	3	NUM
eurjchem-1713	194	19	)	)	PUNCT
eurjchem-1713	194	20	,	,	PUNCT
eurjchem-1713	194	21	parameter	parameter	NOUN
eurjchem-1713	194	22	=	=	PUNCT
eurjchem-1713	194	23	ρσp	ρσp	PROPN
eurjchem-1713	194	24	+	+	NOUN
eurjchem-1713	194	25	const	const	ADJ
eurjchem-1713	194	26	.	.	PUNCT
eurjchem-1713	195	1	(	(	PUNCT
eurjchem-1713	195	2	3	3	X
eurjchem-1713	195	3	)	)	PUNCT
eurjchem-1713	195	4	in	in	ADP
eurjchem-1713	195	5	addition	addition	NOUN
eurjchem-1713	195	6	,	,	PUNCT
eurjchem-1713	195	7	according	accord	VERB
eurjchem-1713	195	8	to	to	ADP
eurjchem-1713	195	9	our	our	PRON
eurjchem-1713	195	10	results	result	NOUN
eurjchem-1713	195	11	,	,	PUNCT
eurjchem-1713	195	12	the	the	DET
eurjchem-1713	195	13	correlations	correlation	NOUN
eurjchem-1713	195	14	of	of	ADP
eurjchem-1713	195	15	the	the	DET
eurjchem-1713	195	16	reported	report	VERB
eurjchem-1713	195	17	and	and	CCONJ
eurjchem-1713	195	18	theoretical	theoretical	ADJ
eurjchem-1713	195	19	equilibrium	equilibrium	NOUN
eurjchem-1713	195	20	constants	constant	NOUN
eurjchem-1713	195	21	(	(	PUNCT
eurjchem-1713	195	22	keq	keq	PROPN
eurjchem-1713	195	23	)	)	PUNCT
eurjchem-1713	195	24	between	between	ADP
eurjchem-1713	195	25	two	two	NUM
eurjchem-1713	195	26	stable	stable	ADJ
eurjchem-1713	195	27	cis	cis	NOUN
eurjchem-1713	195	28	-	-	PUNCT
eurjchem-1713	195	29	enol	enol	NOUN
eurjchem-1713	195	30	forms	form	NOUN
eurjchem-1713	195	31	and	and	CCONJ
eurjchem-1713	195	32	σp	σp	X
eurjchem-1713	195	33	have	have	VERB
eurjchem-1713	195	34	no	no	DET
eurjchem-1713	195	35	fairly	fairly	ADV
eurjchem-1713	195	36	good	good	ADJ
eurjchem-1713	195	37	regression	regression	NOUN
eurjchem-1713	195	38	coefficients	coefficient	NOUN
eurjchem-1713	195	39	.	.	PUNCT
eurjchem-1713	196	1	the	the	DET
eurjchem-1713	196	2	r2	r2	PROPN
eurjchem-1713	196	3	values	value	NOUN
eurjchem-1713	196	4	for	for	ADP
eurjchem-1713	196	5	log	log	PROPN
eurjchem-1713	196	6	keq	keq	PROPN
eurjchem-1713	196	7	are	be	AUX
eurjchem-1713	196	8	0.5284	0.5284	NUM
eurjchem-1713	196	9	(	(	PUNCT
eurjchem-1713	196	10	0.3487	0.3487	NUM
eurjchem-1713	196	11	)	)	PUNCT
eurjchem-1713	196	12	,	,	PUNCT
eurjchem-1713	196	13	0.4301	0.4301	NUM
eurjchem-1713	196	14	(	(	PUNCT
eurjchem-1713	196	15	0.3719	0.3719	NUM
eurjchem-1713	196	16	)	)	PUNCT
eurjchem-1713	196	17	,	,	PUNCT
eurjchem-1713	196	18	for	for	ADP
eurjchem-1713	196	19	x	x	NOUN
eurjchem-1713	196	20	-	-	PUNCT
eurjchem-1713	196	21	tfba	tfba	ADJ
eurjchem-1713	196	22	,	,	PUNCT
eurjchem-1713	196	23	x	x	NOUN
eurjchem-1713	196	24	-	-	PUNCT
eurjchem-1713	196	25	adm	adm	NOUN
eurjchem-1713	196	26	,	,	PUNCT
eurjchem-1713	196	27	respectively	respectively	ADV
eurjchem-1713	196	28	.	.	PUNCT
eurjchem-1713	197	1	the	the	DET
eurjchem-1713	197	2	values	value	NOUN
eurjchem-1713	197	3	in	in	ADP
eurjchem-1713	197	4	the	the	DET
eurjchem-1713	197	5	parentheses	parenthesis	NOUN
eurjchem-1713	197	6	are	be	AUX
eurjchem-1713	197	7	the	the	DET
eurjchem-1713	197	8	experimental	experimental	ADJ
eurjchem-1713	197	9	equilibrium	equilibrium	NOUN
eurjchem-1713	197	10	constants	constant	NOUN
eurjchem-1713	197	11	.	.	PUNCT
eurjchem-1713	198	1	2018	2018	NUM
eurjchem-1713	198	2	–	–	PUNCT
eurjchem-1713	198	3	european	european	ADJ
eurjchem-1713	198	4	journal	journal	NOUN
eurjchem-1713	198	5	of	of	ADP
eurjchem-1713	198	6	chemistry	chemistry	NOUN
eurjchem-1713	198	7	–	–	PUNCT
eurjchem-1713	198	8	cc	cc	NOUN
eurjchem-1713	198	9	by	by	ADP
eurjchem-1713	198	10	nc	nc	PROPN
eurjchem-1713	198	11	–	–	PUNCT
eurjchem-1713	198	12	doi	doi	NOUN
eurjchem-1713	198	13	:	:	PUNCT
eurjchem-1713	198	14	10.5155	10.5155	NUM
eurjchem-1713	198	15	/	/	SYM
eurjchem-1713	198	16	eurjchem.9.3.213	eurjchem.9.3.213	PROPN
eurjchem-1713	198	17	-	-	SYM
eurjchem-1713	198	18	221.1713	221.1713	NUM
eurjchem-1713	198	19	218	218	NUM
eurjchem-1713	198	20	darugar	darugar	NOUN
eurjchem-1713	198	21	et	et	PROPN
eurjchem-1713	198	22	al	al	PROPN
eurjchem-1713	198	23	.	.	PUNCT
eurjchem-1713	198	24	/	/	SYM
eurjchem-1713	198	25	european	european	PROPN
eurjchem-1713	198	26	journal	journal	PROPN
eurjchem-1713	198	27	of	of	ADP
eurjchem-1713	198	28	chemistry	chemistry	NOUN
eurjchem-1713	198	29	9	9	NUM
eurjchem-1713	198	30	(	(	PUNCT
eurjchem-1713	198	31	3	3	NUM
eurjchem-1713	198	32	)	)	PUNCT
eurjchem-1713	198	33	(	(	PUNCT
eurjchem-1713	198	34	2018	2018	NUM
eurjchem-1713	198	35	)	)	PUNCT
eurjchem-1713	198	36	213	213	NUM
eurjchem-1713	198	37	-	-	SYM
eurjchem-1713	198	38	221	221	NUM
eurjchem-1713	198	39	table	table	NOUN
eurjchem-1713	198	40	6	6	NUM
eurjchem-1713	198	41	.	.	PUNCT
eurjchem-1713	199	1	the	the	DET
eurjchem-1713	199	2	r	r	NOUN
eurjchem-1713	199	3	square	square	ADJ
eurjchem-1713	199	4	values	value	NOUN
eurjchem-1713	199	5	for	for	ADP
eurjchem-1713	199	6	theoretical	theoretical	ADJ
eurjchem-1713	199	7	and	and	CCONJ
eurjchem-1713	199	8	experimental	experimental	ADJ
eurjchem-1713	199	9	correlations	correlation	NOUN
eurjchem-1713	199	10	of	of	ADP
eurjchem-1713	199	11	δoh	δoh	NOUN
eurjchem-1713	199	12	,	,	PUNCT
eurjchem-1713	199	13	νoh	νoh	NOUN
eurjchem-1713	199	14	,	,	PUNCT
eurjchem-1713	199	15	and	and	CCONJ
eurjchem-1713	199	16	γoh	γoh	NOUN
eurjchem-1713	199	17	vs	vs	ADP
eurjchem-1713	199	18	σp	σp	PROPN
eurjchem-1713	199	19	.	.	PUNCT
eurjchem-1713	200	1	parameters	parameter	NOUN
eurjchem-1713	200	2	x	x	ADJ
eurjchem-1713	200	3	-	-	PUNCT
eurjchem-1713	200	4	tfba	tfba	ADJ
eurjchem-1713	200	5	x	x	NOUN
eurjchem-1713	200	6	-	-	NOUN
eurjchem-1713	200	7	adm	adm	PROPN
eurjchem-1713	200	8	2	2	NUM
eurjchem-1713	200	9	4	4	NUM
eurjchem-1713	200	10	avg	avg	NOUN
eurjchem-1713	200	11	.	.	PUNCT
eurjchem-1713	201	1	a	a	DET
eurjchem-1713	201	2	2	2	NUM
eurjchem-1713	201	3	4	4	NUM
eurjchem-1713	201	4	avg	avg	NOUN
eurjchem-1713	201	5	.	.	PUNCT
eurjchem-1713	202	1	a	a	DET
eurjchem-1713	202	2	δoh	δoh	NOUN
eurjchem-1713	202	3	(	(	PUNCT
eurjchem-1713	202	4	calc	calc	NOUN
eurjchem-1713	202	5	.	.	PUNCT
eurjchem-1713	202	6	)	)	PUNCT
eurjchem-1713	203	1	0.7348	0.7348	NUM
eurjchem-1713	203	2	0.6989	0.6989	NUM
eurjchem-1713	203	3	0.8127	0.8127	NUM
eurjchem-1713	203	4	(	(	PUNCT
eurjchem-1713	203	5	0.9826	0.9826	NUM
eurjchem-1713	203	6	)	)	PUNCT
eurjchem-1713	204	1	0.7285	0.7285	NUM
eurjchem-1713	204	2	0.6693	0.6693	NUM
eurjchem-1713	204	3	0.7893	0.7893	NUM
eurjchem-1713	204	4	(	(	PUNCT
eurjchem-1713	204	5	0.8143	0.8143	NUM
eurjchem-1713	204	6	)	)	PUNCT
eurjchem-1713	204	7	νoh	νoh	NOUN
eurjchem-1713	204	8	(	(	PUNCT
eurjchem-1713	204	9	calc	calc	NOUN
eurjchem-1713	204	10	.	.	PUNCT
eurjchem-1713	204	11	)	)	PUNCT
eurjchem-1713	205	1	0.9650	0.9650	NUM
eurjchem-1713	205	2	0.9351	0.9351	NUM
eurjchem-1713	205	3	0.9787	0.9787	NUM
eurjchem-1713	205	4	0.9821	0.9821	NUM
eurjchem-1713	205	5	0.8823	0.8823	NUM
eurjchem-1713	205	6	0.9845	0.9845	NUM
eurjchem-1713	205	7	γoh	γoh	NOUN
eurjchem-1713	205	8	(	(	PUNCT
eurjchem-1713	205	9	calc	calc	NOUN
eurjchem-1713	205	10	.	.	PUNCT
eurjchem-1713	205	11	)	)	PUNCT
eurjchem-1713	206	1	0.9629	0.9629	NUM
eurjchem-1713	206	2	0.1520	0.1520	NUM
eurjchem-1713	206	3	0.7213	0.7213	NUM
eurjchem-1713	206	4	0.9719	0.9719	NUM
eurjchem-1713	206	5	0.9876	0.9876	NUM
eurjchem-1713	206	6	0.9725	0.9725	NUM
eurjchem-1713	206	7	a	a	DET
eurjchem-1713	206	8	the	the	DET
eurjchem-1713	206	9	r	r	NOUN
eurjchem-1713	206	10	square	square	ADJ
eurjchem-1713	206	11	values	value	NOUN
eurjchem-1713	206	12	for	for	ADP
eurjchem-1713	206	13	the	the	DET
eurjchem-1713	206	14	experimental	experimental	ADJ
eurjchem-1713	206	15	values	value	NOUN
eurjchem-1713	206	16	are	be	AUX
eurjchem-1713	206	17	in	in	ADP
eurjchem-1713	206	18	parenthesis	parenthesis	NOUN
eurjchem-1713	206	19	.	.	PUNCT
eurjchem-1713	207	1	table	table	NOUN
eurjchem-1713	207	2	7	7	NUM
eurjchem-1713	207	3	.	.	PUNCT
eurjchem-1713	208	1	the	the	DET
eurjchem-1713	208	2	r	r	NOUN
eurjchem-1713	208	3	square	square	ADJ
eurjchem-1713	208	4	values	value	NOUN
eurjchem-1713	208	5	between	between	ADP
eurjchem-1713	208	6	geometrical	geometrical	ADJ
eurjchem-1713	208	7	parameters	parameter	NOUN
eurjchem-1713	208	8	related	relate	VERB
eurjchem-1713	208	9	to	to	ADP
eurjchem-1713	208	10	ihb	ihb	DET
eurjchem-1713	208	11	strength	strength	NOUN
eurjchem-1713	208	12	vs.	vs.	ADP
eurjchem-1713	208	13	σp	σp	PROPN
eurjchem-1713	208	14	.	.	PUNCT
eurjchem-1713	209	1	parameters	parameter	NOUN
eurjchem-1713	209	2	x	x	ADJ
eurjchem-1713	209	3	-	-	PUNCT
eurjchem-1713	209	4	tfba	tfba	ADJ
eurjchem-1713	209	5	x	x	NOUN
eurjchem-1713	209	6	-	-	NOUN
eurjchem-1713	209	7	adm	adm	PROPN
eurjchem-1713	209	8	2	2	NUM
eurjchem-1713	209	9	4	4	NUM
eurjchem-1713	209	10	avg	avg	NOUN
eurjchem-1713	209	11	.	.	PROPN
eurjchem-1713	209	12	2	2	NUM
eurjchem-1713	209	13	4	4	NUM
eurjchem-1713	209	14	avg	avg	NOUN
eurjchem-1713	209	15	.	.	PUNCT
eurjchem-1713	210	1	r	r	NOUN
eurjchem-1713	210	2	o···o	o···o	NOUN
eurjchem-1713	210	3	0.9700	0.9700	NUM
eurjchem-1713	210	4	0.8857	0.8857	NUM
eurjchem-1713	210	5	0.9554	0.9554	NUM
eurjchem-1713	210	6	0.9709	0.9709	NUM
eurjchem-1713	211	1	0.8989	0.8989	NUM
eurjchem-1713	211	2	0.9449	0.9449	NUM
eurjchem-1713	212	1	r	r	NOUN
eurjchem-1713	212	2	o	o	NOUN
eurjchem-1713	212	3	-	-	NOUN
eurjchem-1713	212	4	h	h	ADJ
eurjchem-1713	212	5	0.9640	0.9640	NUM
eurjchem-1713	212	6	0.9099	0.9099	NUM
eurjchem-1713	212	7	0.9699	0.9699	NUM
eurjchem-1713	212	8	0.9241	0.9241	NUM
eurjchem-1713	212	9	0.8962	0.8962	NUM
eurjchem-1713	212	10	0.9424	0.9424	NUM
eurjchem-1713	212	11	r	r	NOUN
eurjchem-1713	212	12	o···h	o···h	NOUN
eurjchem-1713	212	13	0.9710	0.9710	NUM
eurjchem-1713	212	14	0.9246	0.9246	NUM
eurjchem-1713	212	15	0.9695	0.9695	NUM
eurjchem-1713	212	16	0.9887	0.9887	NUM
eurjchem-1713	212	17	0.9090	0.9090	NUM
eurjchem-1713	212	18	0.9642	0.9642	NUM
eurjchem-1713	212	19	r	r	NOUN
eurjchem-1713	212	20	o···h+r	o···h+r	NOUN
eurjchem-1713	212	21	o	o	NOUN
eurjchem-1713	212	22	-	-	NOUN
eurjchem-1713	212	23	h	h	ADJ
eurjchem-1713	213	1	0.9640	0.9640	NUM
eurjchem-1713	213	2	0.9310	0.9310	NUM
eurjchem-1713	213	3	0.9651	0.9651	NUM
eurjchem-1713	213	4	0.9846	0.9846	NUM
eurjchem-1713	213	5	0.8899	0.8899	NUM
eurjchem-1713	213	6	0.9519	0.9519	NUM
eurjchem-1713	213	7	<	<	X
eurjchem-1713	213	8	oho	oho	NOUN
eurjchem-1713	213	9	0.9700	0.9700	NUM
eurjchem-1713	213	10	0.9793	0.9793	NUM
eurjchem-1713	213	11	0.9847	0.9847	NUM
eurjchem-1713	213	12	0.9877	0.9877	NUM
eurjchem-1713	213	13	0.9189	0.9189	NUM
eurjchem-1713	213	14	0.9543	0.9543	NUM
eurjchem-1713	213	15	ehb	ehb	NOUN
eurjchem-1713	213	16	0.9680	0.9680	NUM
eurjchem-1713	214	1	0.9010	0.9010	NUM
eurjchem-1713	214	2	0.9638	0.9638	NUM
eurjchem-1713	214	3	0.9828	0.9828	NUM
eurjchem-1713	214	4	0.8600	0.8600	NUM
eurjchem-1713	214	5	0.9273	0.9273	NUM
eurjchem-1713	214	6	ρbcp	ρbcp	NOUN
eurjchem-1713	214	7	0.9680	0.9680	NUM
eurjchem-1713	214	8	0.9113	0.9113	NUM
eurjchem-1713	214	9	0.9668	0.9668	NUM
eurjchem-1713	214	10	0.9523	0.9523	NUM
eurjchem-1713	214	11	0.9511	0.9511	NUM
eurjchem-1713	214	12	0.9856	0.9856	NUM
eurjchem-1713	214	13	∇2	∇2	NOUN
eurjchem-1713	214	14	ρbcp	ρbcp	NOUN
eurjchem-1713	215	1	0.9560	0.9560	NUM
eurjchem-1713	215	2	0.8684	0.8684	NUM
eurjchem-1713	216	1	0.9250	0.9250	NUM
eurjchem-1713	216	2	0.9734	0.9734	NUM
eurjchem-1713	216	3	0.9816	0.9816	NUM
eurjchem-1713	216	4	0.9961	0.9961	NUM
eurjchem-1713	216	5	3.2.1	3.2.1	NUM
eurjchem-1713	216	6	.	.	PUNCT
eurjchem-1713	216	7	correlation	correlation	NOUN
eurjchem-1713	216	8	between	between	ADP
eurjchem-1713	216	9	the	the	DET
eurjchem-1713	216	10	chemical	chemical	ADJ
eurjchem-1713	216	11	shifts	shift	NOUN
eurjchem-1713	216	12	of	of	ADP
eurjchem-1713	216	13	enolic	enolic	ADJ
eurjchem-1713	216	14	proton	proton	NOUN
eurjchem-1713	216	15	with	with	ADP
eurjchem-1713	216	16	σp	σp	ADP
eurjchem-1713	216	17	the	the	DET
eurjchem-1713	216	18	experimental	experimental	ADJ
eurjchem-1713	216	19	and	and	CCONJ
eurjchem-1713	216	20	calculated	calculated	ADJ
eurjchem-1713	216	21	proton	proton	NOUN
eurjchem-1713	216	22	chemical	chemical	NOUN
eurjchem-1713	216	23	shifts	shift	NOUN
eurjchem-1713	216	24	of	of	ADP
eurjchem-1713	216	25	enolated	enolate	VERB
eurjchem-1713	216	26	proton	proton	NOUN
eurjchem-1713	216	27	(	(	PUNCT
eurjchem-1713	216	28	δoh	δoh	NOUN
eurjchem-1713	216	29	)	)	PUNCT
eurjchem-1713	216	30	play	play	VERB
eurjchem-1713	216	31	an	an	DET
eurjchem-1713	216	32	important	important	ADJ
eurjchem-1713	216	33	role	role	NOUN
eurjchem-1713	216	34	in	in	ADP
eurjchem-1713	216	35	characterization	characterization	NOUN
eurjchem-1713	216	36	of	of	ADP
eurjchem-1713	216	37	the	the	DET
eurjchem-1713	216	38	nature	nature	NOUN
eurjchem-1713	216	39	of	of	ADP
eurjchem-1713	216	40	ihb	ihb	DET
eurjchem-1713	216	41	strength	strength	NOUN
eurjchem-1713	216	42	[	[	X
eurjchem-1713	216	43	41	41	NUM
eurjchem-1713	216	44	]	]	PUNCT
eurjchem-1713	216	45	.	.	PUNCT
eurjchem-1713	217	1	the	the	DET
eurjchem-1713	217	2	calculated	calculate	VERB
eurjchem-1713	217	3	δoh	δoh	NOUN
eurjchem-1713	217	4	of	of	ADP
eurjchem-1713	217	5	both	both	CCONJ
eurjchem-1713	217	6	stable	stable	ADJ
eurjchem-1713	217	7	cis	cis	NOUN
eurjchem-1713	217	8	-	-	PUNCT
eurjchem-1713	217	9	enol	enol	NOUN
eurjchem-1713	217	10	forms	form	NOUN
eurjchem-1713	217	11	and	and	CCONJ
eurjchem-1713	217	12	their	their	PRON
eurjchem-1713	217	13	average	average	ADJ
eurjchem-1713	217	14	values	value	NOUN
eurjchem-1713	217	15	of	of	ADP
eurjchem-1713	217	16	title	title	NOUN
eurjchem-1713	217	17	molecules	molecule	NOUN
eurjchem-1713	217	18	with	with	ADP
eurjchem-1713	217	19	their	their	PRON
eurjchem-1713	217	20	report	report	NOUN
eurjchem-1713	217	21	chemical	chemical	NOUN
eurjchem-1713	217	22	shifts	shift	NOUN
eurjchem-1713	217	23	are	be	AUX
eurjchem-1713	217	24	given	give	VERB
eurjchem-1713	217	25	in	in	ADP
eurjchem-1713	217	26	tables	table	NOUN
eurjchem-1713	217	27	4	4	NUM
eurjchem-1713	217	28	and	and	CCONJ
eurjchem-1713	217	29	5	5	NUM
eurjchem-1713	217	30	.	.	PUNCT
eurjchem-1713	217	31	according	accord	VERB
eurjchem-1713	217	32	to	to	ADP
eurjchem-1713	217	33	these	these	DET
eurjchem-1713	217	34	values	value	NOUN
eurjchem-1713	217	35	,	,	PUNCT
eurjchem-1713	217	36	the	the	DET
eurjchem-1713	217	37	ihb	ihb	PRON
eurjchem-1713	217	38	strength	strength	NOUN
eurjchem-1713	217	39	of	of	ADP
eurjchem-1713	217	40	all	all	DET
eurjchem-1713	217	41	molecules	molecule	NOUN
eurjchem-1713	217	42	are	be	AUX
eurjchem-1713	217	43	in	in	ADP
eurjchem-1713	217	44	agreement	agreement	NOUN
eurjchem-1713	217	45	with	with	ADP
eurjchem-1713	217	46	the	the	DET
eurjchem-1713	217	47	increasing	increasing	NOUN
eurjchem-1713	217	48	of	of	ADP
eurjchem-1713	217	49	δoh	δoh	NOUN
eurjchem-1713	217	50	.	.	PUNCT
eurjchem-1713	218	1	table	table	NOUN
eurjchem-1713	218	2	6	6	NUM
eurjchem-1713	218	3	and	and	CCONJ
eurjchem-1713	218	4	figure	figure	NOUN
eurjchem-1713	218	5	s1	s1	NOUN
eurjchem-1713	218	6	(	(	PUNCT
eurjchem-1713	218	7	supplementary	supplementary	ADJ
eurjchem-1713	218	8	material	material	NOUN
eurjchem-1713	218	9	)	)	PUNCT
eurjchem-1713	218	10	,	,	PUNCT
eurjchem-1713	218	11	show	show	VERB
eurjchem-1713	218	12	a	a	DET
eurjchem-1713	218	13	linear	linear	ADJ
eurjchem-1713	218	14	dependence	dependence	NOUN
eurjchem-1713	218	15	with	with	ADP
eurjchem-1713	218	16	weak	weak	ADJ
eurjchem-1713	218	17	to	to	ADP
eurjchem-1713	218	18	very	very	ADV
eurjchem-1713	218	19	good	good	ADJ
eurjchem-1713	218	20	regression	regression	NOUN
eurjchem-1713	218	21	coefficients	coefficient	NOUN
eurjchem-1713	218	22	,	,	PUNCT
eurjchem-1713	218	23	in	in	ADP
eurjchem-1713	218	24	the	the	DET
eurjchem-1713	218	25	range	range	NOUN
eurjchem-1713	218	26	of	of	ADP
eurjchem-1713	218	27	0.6689	0.6689	NUM
eurjchem-1713	218	28	-	-	PUNCT
eurjchem-1713	218	29	0.9826	0.9826	NUM
eurjchem-1713	218	30	between	between	ADP
eurjchem-1713	218	31	the	the	DET
eurjchem-1713	218	32	theoretical	theoretical	ADJ
eurjchem-1713	218	33	and	and	CCONJ
eurjchem-1713	218	34	experimental	experimental	ADJ
eurjchem-1713	218	35	δoh	δoh	NOUN
eurjchem-1713	218	36	of	of	ADP
eurjchem-1713	218	37	4and	4and	PROPN
eurjchem-1713	218	38	2	2	NUM
eurjchem-1713	218	39	-	-	PUNCT
eurjchem-1713	218	40	forms	form	NOUN
eurjchem-1713	218	41	and	and	CCONJ
eurjchem-1713	218	42	their	their	PRON
eurjchem-1713	218	43	average	average	NOUN
eurjchem-1713	218	44	with	with	ADP
eurjchem-1713	218	45	σp	σp	PROPN
eurjchem-1713	218	46	,	,	PUNCT
eurjchem-1713	218	47	δ	δ	X
eurjchem-1713	218	48	=	=	PUNCT
eurjchem-1713	219	1	ρσp	ρσp	PROPN
eurjchem-1713	219	2	+	+	X
eurjchem-1713	219	3	constant	constant	ADJ
eurjchem-1713	219	4	(	(	PUNCT
eurjchem-1713	219	5	4	4	NUM
eurjchem-1713	219	6	)	)	PUNCT
eurjchem-1713	219	7	table	table	NOUN
eurjchem-1713	219	8	6	6	NUM
eurjchem-1713	219	9	shows	show	NOUN
eurjchem-1713	219	10	which	which	PRON
eurjchem-1713	219	11	the	the	DET
eurjchem-1713	219	12	best	good	ADJ
eurjchem-1713	219	13	correlations	correlation	NOUN
eurjchem-1713	219	14	are	be	AUX
eurjchem-1713	219	15	related	relate	VERB
eurjchem-1713	219	16	to	to	ADP
eurjchem-1713	219	17	the	the	DET
eurjchem-1713	219	18	experimental	experimental	ADJ
eurjchem-1713	219	19	δoh	δoh	NOUN
eurjchem-1713	219	20	values	value	NOUN
eurjchem-1713	219	21	and	and	CCONJ
eurjchem-1713	219	22	σp	σp	NOUN
eurjchem-1713	219	23	.	.	PUNCT
eurjchem-1713	219	24	3.2.2	3.2.2	NUM
eurjchem-1713	219	25	.	.	PUNCT
eurjchem-1713	219	26	correlation	correlation	NOUN
eurjchem-1713	219	27	between	between	ADP
eurjchem-1713	219	28	the	the	DET
eurjchem-1713	219	29	positions	position	NOUN
eurjchem-1713	219	30	of	of	ADP
eurjchem-1713	219	31	ir	ir	PROPN
eurjchem-1713	219	32	bands	band	NOUN
eurjchem-1713	219	33	related	relate	VERB
eurjchem-1713	219	34	to	to	ADP
eurjchem-1713	219	35	ihb	ihb	DET
eurjchem-1713	219	36	strength	strength	NOUN
eurjchem-1713	219	37	with	with	ADP
eurjchem-1713	219	38	σp	σp	ADP
eurjchem-1713	219	39	the	the	DET
eurjchem-1713	219	40	values	value	NOUN
eurjchem-1713	219	41	of	of	ADP
eurjchem-1713	219	42	oh	oh	INTJ
eurjchem-1713	219	43	stretching	stretching	NOUN
eurjchem-1713	219	44	(	(	PUNCT
eurjchem-1713	219	45	νoh	νoh	NOUN
eurjchem-1713	219	46	)	)	PUNCT
eurjchem-1713	219	47	and	and	CCONJ
eurjchem-1713	219	48	out	out	ADP
eurjchem-1713	219	49	of	of	ADP
eurjchem-1713	219	50	plane	plane	NOUN
eurjchem-1713	219	51	bending	bending	NOUN
eurjchem-1713	219	52	of	of	ADP
eurjchem-1713	219	53	oh	oh	INTJ
eurjchem-1713	219	54	(	(	PUNCT
eurjchem-1713	219	55	γoh	γoh	PROPN
eurjchem-1713	219	56	)	)	PUNCT
eurjchem-1713	219	57	in	in	ADP
eurjchem-1713	219	58	the	the	DET
eurjchem-1713	219	59	ir	ir	PROPN
eurjchem-1713	219	60	have	have	VERB
eurjchem-1713	219	61	important	important	ADJ
eurjchem-1713	219	62	roles	role	NOUN
eurjchem-1713	219	63	in	in	ADP
eurjchem-1713	219	64	strength	strength	NOUN
eurjchem-1713	219	65	of	of	ADP
eurjchem-1713	219	66	the	the	DET
eurjchem-1713	219	67	ihb	ihb	NOUN
eurjchem-1713	219	68	[	[	X
eurjchem-1713	219	69	41	41	NUM
eurjchem-1713	219	70	-	-	SYM
eurjchem-1713	219	71	43	43	NUM
eurjchem-1713	219	72	]	]	PUNCT
eurjchem-1713	219	73	.	.	PUNCT
eurjchem-1713	220	1	the	the	DET
eurjchem-1713	220	2	increasing	increasing	NOUN
eurjchem-1713	220	3	of	of	ADP
eurjchem-1713	220	4	γoh	γoh	NOUN
eurjchem-1713	220	5	and	and	CCONJ
eurjchem-1713	220	6	decreasing	decrease	VERB
eurjchem-1713	220	7	of	of	ADP
eurjchem-1713	220	8	νoh	νoh	NOUN
eurjchem-1713	220	9	wavenumbers	wavenumber	NOUN
eurjchem-1713	220	10	are	be	AUX
eurjchem-1713	220	11	in	in	ADP
eurjchem-1713	220	12	agreement	agreement	NOUN
eurjchem-1713	220	13	with	with	ADP
eurjchem-1713	220	14	increasing	increase	VERB
eurjchem-1713	220	15	of	of	ADP
eurjchem-1713	220	16	the	the	DET
eurjchem-1713	220	17	ihb	ihb	PRON
eurjchem-1713	220	18	strength	strength	NOUN
eurjchem-1713	220	19	of	of	ADP
eurjchem-1713	220	20	the	the	DET
eurjchem-1713	220	21	mentioned	mention	VERB
eurjchem-1713	220	22	molecules	molecule	NOUN
eurjchem-1713	220	23	.	.	PUNCT
eurjchem-1713	221	1	table	table	NOUN
eurjchem-1713	221	2	6	6	NUM
eurjchem-1713	221	3	and	and	CCONJ
eurjchem-1713	221	4	figure	figure	NOUN
eurjchem-1713	221	5	s2	s2	NOUN
eurjchem-1713	221	6	(	(	PUNCT
eurjchem-1713	221	7	supplementary	supplementary	ADJ
eurjchem-1713	221	8	material	material	NOUN
eurjchem-1713	221	9	)	)	PUNCT
eurjchem-1713	221	10	show	show	VERB
eurjchem-1713	221	11	good	good	ADJ
eurjchem-1713	221	12	linear	linear	PROPN
eurjchem-1713	221	13	correlations	correlation	NOUN
eurjchem-1713	221	14	between	between	ADP
eurjchem-1713	221	15	the	the	DET
eurjchem-1713	221	16	theoretical	theoretical	ADJ
eurjchem-1713	221	17	νoh	νoh	NOUN
eurjchem-1713	221	18	and	and	CCONJ
eurjchem-1713	221	19	γoh	γoh	NOUN
eurjchem-1713	221	20	frequencies	frequency	NOUN
eurjchem-1713	221	21	of	of	ADP
eurjchem-1713	221	22	2and	2and	NUM
eurjchem-1713	221	23	4tautomers	4tautomers	NUM
eurjchem-1713	221	24	and	and	CCONJ
eurjchem-1713	221	25	their	their	PRON
eurjchem-1713	221	26	average	average	ADJ
eurjchem-1713	221	27	values	value	NOUN
eurjchem-1713	221	28	with	with	ADP
eurjchem-1713	221	29	σp	σp	NOUN
eurjchem-1713	221	30	,	,	PUNCT
eurjchem-1713	221	31	except	except	SCONJ
eurjchem-1713	221	32	for	for	ADP
eurjchem-1713	221	33	γoh	γoh	NOUN
eurjchem-1713	221	34	of	of	ADP
eurjchem-1713	221	35	xtfba-4	xtfba-4	PROPN
eurjchem-1713	221	36	form	form	NOUN
eurjchem-1713	221	37	,	,	PUNCT
eurjchem-1713	221	38	this	this	DET
eurjchem-1713	221	39	correlation	correlation	NOUN
eurjchem-1713	221	40	is	be	AUX
eurjchem-1713	221	41	not	not	PART
eurjchem-1713	221	42	shown	show	VERB
eurjchem-1713	221	43	.	.	PUNCT
eurjchem-1713	222	1	this	this	DET
eurjchem-1713	222	2	behavior	behavior	NOUN
eurjchem-1713	222	3	could	could	AUX
eurjchem-1713	222	4	be	be	AUX
eurjchem-1713	222	5	easily	easily	ADV
eurjchem-1713	222	6	explained	explain	VERB
eurjchem-1713	222	7	,	,	PUNCT
eurjchem-1713	222	8	if	if	SCONJ
eurjchem-1713	222	9	we	we	PRON
eurjchem-1713	222	10	consider	consider	VERB
eurjchem-1713	222	11	the	the	DET
eurjchem-1713	222	12	calculation	calculation	NOUN
eurjchem-1713	222	13	results	result	VERB
eurjchem-1713	222	14	.	.	PUNCT
eurjchem-1713	223	1	according	accord	VERB
eurjchem-1713	223	2	to	to	ADP
eurjchem-1713	223	3	the	the	DET
eurjchem-1713	223	4	calculation	calculation	NOUN
eurjchem-1713	223	5	results	result	NOUN
eurjchem-1713	223	6	,	,	PUNCT
eurjchem-1713	223	7	in	in	ADP
eurjchem-1713	223	8	some	some	DET
eurjchem-1713	223	9	substitutions	substitution	NOUN
eurjchem-1713	223	10	,	,	PUNCT
eurjchem-1713	223	11	the	the	DET
eurjchem-1713	223	12	mentioned	mention	VERB
eurjchem-1713	223	13	γoh	γoh	NOUN
eurjchem-1713	223	14	is	be	AUX
eurjchem-1713	223	15	coupled	couple	VERB
eurjchem-1713	223	16	with	with	ADP
eurjchem-1713	223	17	out	out	ADP
eurjchem-1713	223	18	of	of	ADP
eurjchem-1713	223	19	plane	plane	NOUN
eurjchem-1713	223	20	bending	bending	NOUN
eurjchem-1713	223	21	of	of	ADP
eurjchem-1713	223	22	chα	chα	PROPN
eurjchem-1713	223	23	(	(	PUNCT
eurjchem-1713	223	24	γchα	γchα	PROPN
eurjchem-1713	223	25	)	)	PUNCT
eurjchem-1713	223	26	.	.	PUNCT
eurjchem-1713	224	1	3.2.3	3.2.3	X
eurjchem-1713	224	2	.	.	X
eurjchem-1713	224	3	correlation	correlation	NOUN
eurjchem-1713	224	4	between	between	ADP
eurjchem-1713	224	5	σp	σp	NOUN
eurjchem-1713	224	6	and	and	CCONJ
eurjchem-1713	224	7	geometrical	geometrical	ADJ
eurjchem-1713	224	8	parameters	parameter	NOUN
eurjchem-1713	224	9	related	relate	VERB
eurjchem-1713	224	10	to	to	ADP
eurjchem-1713	224	11	ihb	ihb	PRON
eurjchem-1713	224	12	strength	strength	NOUN
eurjchem-1713	224	13	geometrical	geometrical	ADJ
eurjchem-1713	224	14	parameters	parameter	NOUN
eurjchem-1713	224	15	of	of	ADP
eurjchem-1713	224	16	chelated	chelated	ADJ
eurjchem-1713	224	17	ring	ring	NOUN
eurjchem-1713	224	18	are	be	AUX
eurjchem-1713	224	19	very	very	ADV
eurjchem-1713	224	20	important	important	ADJ
eurjchem-1713	224	21	for	for	ADP
eurjchem-1713	224	22	explaining	explain	VERB
eurjchem-1713	224	23	of	of	ADP
eurjchem-1713	224	24	ihb	ihb	DET
eurjchem-1713	224	25	strength	strength	NOUN
eurjchem-1713	224	26	in	in	ADP
eurjchem-1713	224	27	the	the	DET
eurjchem-1713	224	28	cis	cis	NOUN
eurjchem-1713	224	29	-	-	PUNCT
eurjchem-1713	224	30	enol	enol	NOUN
eurjchem-1713	224	31	forms	form	NOUN
eurjchem-1713	224	32	of	of	ADP
eurjchem-1713	224	33	β	β	NOUN
eurjchem-1713	224	34	-	-	NOUN
eurjchem-1713	224	35	diketones	diketone	NOUN
eurjchem-1713	224	36	,	,	PUNCT
eurjchem-1713	224	37	because	because	SCONJ
eurjchem-1713	224	38	the	the	DET
eurjchem-1713	224	39	ihb	ihb	DET
eurjchem-1713	224	40	strength	strength	NOUN
eurjchem-1713	224	41	in	in	ADP
eurjchem-1713	224	42	these	these	DET
eurjchem-1713	224	43	molecules	molecule	NOUN
eurjchem-1713	224	44	is	be	AUX
eurjchem-1713	224	45	explained	explain	VERB
eurjchem-1713	224	46	by	by	ADP
eurjchem-1713	224	47	the	the	DET
eurjchem-1713	224	48	resonance	resonance	NOUN
eurjchem-1713	224	49	-	-	PUNCT
eurjchem-1713	224	50	assisted	assist	VERB
eurjchem-1713	224	51	hydrogen	hydrogen	NOUN
eurjchem-1713	224	52	bond	bond	NOUN
eurjchem-1713	224	53	[	[	X
eurjchem-1713	224	54	43	43	NUM
eurjchem-1713	224	55	-	-	SYM
eurjchem-1713	224	56	47	47	NUM
eurjchem-1713	224	57	]	]	PUNCT
eurjchem-1713	224	58	.	.	PUNCT
eurjchem-1713	225	1	since	since	SCONJ
eurjchem-1713	225	2	the	the	DET
eurjchem-1713	225	3	o···o	o···o	PROPN
eurjchem-1713	225	4	,	,	PUNCT
eurjchem-1713	225	5	o···h	o···h	PROPN
eurjchem-1713	225	6	,	,	PUNCT
eurjchem-1713	225	7	and	and	CCONJ
eurjchem-1713	225	8	o	o	ADJ
eurjchem-1713	225	9	-	-	ADJ
eurjchem-1713	225	10	h+o···h	h+o···h	PROPN
eurjchem-1713	225	11	distances	distance	NOUN
eurjchem-1713	225	12	,	,	PUNCT
eurjchem-1713	225	13	the	the	DET
eurjchem-1713	225	14	o	o	ADJ
eurjchem-1713	225	15	-	-	ADJ
eurjchem-1713	225	16	h	h	ADJ
eurjchem-1713	225	17	bond	bond	NOUN
eurjchem-1713	225	18	length	length	NOUN
eurjchem-1713	225	19	,	,	PUNCT
eurjchem-1713	225	20	and	and	CCONJ
eurjchem-1713	225	21	the	the	DET
eurjchem-1713	225	22	o···ho	o···ho	ADJ
eurjchem-1713	225	23	bond	bond	NOUN
eurjchem-1713	225	24	angle	angle	NOUN
eurjchem-1713	225	25	are	be	AUX
eurjchem-1713	225	26	very	very	ADV
eurjchem-1713	225	27	important	important	ADJ
eurjchem-1713	225	28	indicators	indicator	NOUN
eurjchem-1713	225	29	for	for	ADP
eurjchem-1713	225	30	the	the	DET
eurjchem-1713	225	31	ihb	ihb	PRON
eurjchem-1713	225	32	strength	strength	NOUN
eurjchem-1713	225	33	,	,	PUNCT
eurjchem-1713	225	34	so	so	ADV
eurjchem-1713	225	35	we	we	PRON
eurjchem-1713	225	36	collected	collect	VERB
eurjchem-1713	225	37	these	these	DET
eurjchem-1713	225	38	geometrical	geometrical	ADJ
eurjchem-1713	225	39	parameters	parameter	NOUN
eurjchem-1713	225	40	(	(	PUNCT
eurjchem-1713	225	41	all	all	PRON
eurjchem-1713	225	42	calculated	calculate	VERB
eurjchem-1713	225	43	at	at	ADP
eurjchem-1713	225	44	the	the	DET
eurjchem-1713	225	45	b3lyp/6311++g	b3lyp/6311++g	NOUN
eurjchem-1713	225	46	*	*	NOUN
eurjchem-1713	225	47	*	*	NOUN
eurjchem-1713	225	48	level	level	NOUN
eurjchem-1713	225	49	)	)	PUNCT
eurjchem-1713	225	50	in	in	ADP
eurjchem-1713	225	51	table	table	NOUN
eurjchem-1713	225	52	7	7	NUM
eurjchem-1713	225	53	.	.	PUNCT
eurjchem-1713	225	54	by	by	ADP
eurjchem-1713	225	55	increasing	increase	VERB
eurjchem-1713	225	56	the	the	DET
eurjchem-1713	225	57	ihb	ihb	PRON
eurjchem-1713	225	58	strength	strength	NOUN
eurjchem-1713	225	59	,	,	PUNCT
eurjchem-1713	225	60	the	the	DET
eurjchem-1713	225	61	calculated	calculated	ADJ
eurjchem-1713	225	62	o···h	o···h	NOUN
eurjchem-1713	225	63	and	and	CCONJ
eurjchem-1713	225	64	the	the	DET
eurjchem-1713	225	65	o···o	o···o	NOUN
eurjchem-1713	225	66	bond	bond	NOUN
eurjchem-1713	225	67	lengths	length	NOUN
eurjchem-1713	225	68	decreases	decrease	VERB
eurjchem-1713	225	69	,	,	PUNCT
eurjchem-1713	225	70	while	while	SCONJ
eurjchem-1713	225	71	the	the	DET
eurjchem-1713	225	72	calculated	calculate	VERB
eurjchem-1713	225	73	oho	oho	NOUN
eurjchem-1713	225	74	bond	bond	NOUN
eurjchem-1713	225	75	angle	angle	NOUN
eurjchem-1713	225	76	and	and	CCONJ
eurjchem-1713	225	77	the	the	DET
eurjchem-1713	225	78	o	o	ADJ
eurjchem-1713	225	79	-	-	ADJ
eurjchem-1713	225	80	h	h	ADJ
eurjchem-1713	225	81	bond	bond	NOUN
eurjchem-1713	225	82	length	length	NOUN
eurjchem-1713	225	83	increase	increase	NOUN
eurjchem-1713	225	84	.	.	PUNCT
eurjchem-1713	226	1	relatively	relatively	ADV
eurjchem-1713	226	2	excellent	excellent	ADJ
eurjchem-1713	226	3	correlations	correlation	NOUN
eurjchem-1713	226	4	exist	exist	VERB
eurjchem-1713	226	5	between	between	ADP
eurjchem-1713	226	6	the	the	DET
eurjchem-1713	226	7	aforementioned	aforementioned	ADJ
eurjchem-1713	226	8	parameters	parameter	NOUN
eurjchem-1713	226	9	and	and	CCONJ
eurjchem-1713	226	10	σp	σp	NOUN
eurjchem-1713	226	11	for	for	ADP
eurjchem-1713	226	12	enols-2	enols-2	NUM
eurjchem-1713	226	13	,	,	PUNCT
eurjchem-1713	226	14	enols-4	enols-4	NUM
eurjchem-1713	226	15	and	and	CCONJ
eurjchem-1713	226	16	their	their	PRON
eurjchem-1713	226	17	average	average	ADJ
eurjchem-1713	226	18	(	(	PUNCT
eurjchem-1713	226	19	see	see	VERB
eurjchem-1713	226	20	table	table	NOUN
eurjchem-1713	226	21	7	7	NUM
eurjchem-1713	226	22	and	and	CCONJ
eurjchem-1713	226	23	figure	figure	NOUN
eurjchem-1713	226	24	s3	s3	PROPN
eurjchem-1713	226	25	in	in	ADP
eurjchem-1713	226	26	supplementary	supplementary	ADJ
eurjchem-1713	226	27	material	material	NOUN
eurjchem-1713	226	28	)	)	PUNCT
eurjchem-1713	226	29	,	,	PUNCT
eurjchem-1713	226	30	the	the	DET
eurjchem-1713	226	31	correlation	correlation	NOUN
eurjchem-1713	226	32	figures	figure	NOUN
eurjchem-1713	226	33	for	for	ADP
eurjchem-1713	226	34	o···o	o···o	PROPN
eurjchem-1713	226	35	,	,	PUNCT
eurjchem-1713	226	36	o	o	PROPN
eurjchem-1713	226	37	-	-	ADJ
eurjchem-1713	226	38	h+o···h	h+o···h	PROPN
eurjchem-1713	226	39	distances	distance	NOUN
eurjchem-1713	226	40	,	,	PUNCT
eurjchem-1713	226	41	and	and	CCONJ
eurjchem-1713	226	42	oho	oho	NOUN
eurjchem-1713	226	43	bond	bond	NOUN
eurjchem-1713	226	44	angle	angle	NOUN
eurjchem-1713	226	45	are	be	AUX
eurjchem-1713	226	46	not	not	PART
eurjchem-1713	226	47	shown	show	VERB
eurjchem-1713	226	48	.	.	PUNCT
eurjchem-1713	227	1	3.2.4	3.2.4	X
eurjchem-1713	227	2	.	.	PUNCT
eurjchem-1713	227	3	correlation	correlation	NOUN
eurjchem-1713	227	4	between	between	ADP
eurjchem-1713	227	5	σp	σp	NOUN
eurjchem-1713	227	6	and	and	CCONJ
eurjchem-1713	227	7	aim	aim	VERB
eurjchem-1713	227	8	results	result	NOUN
eurjchem-1713	227	9	related	relate	VERB
eurjchem-1713	227	10	to	to	ADP
eurjchem-1713	227	11	ihb	ihb	DET
eurjchem-1713	227	12	strength	strength	NOUN
eurjchem-1713	227	13	in	in	ADP
eurjchem-1713	227	14	the	the	DET
eurjchem-1713	227	15	topological	topological	ADJ
eurjchem-1713	227	16	theory	theory	NOUN
eurjchem-1713	227	17	of	of	ADP
eurjchem-1713	227	18	aim	aim	NOUN
eurjchem-1713	227	19	,	,	PUNCT
eurjchem-1713	227	20	a	a	DET
eurjchem-1713	227	21	bond	bond	NOUN
eurjchem-1713	227	22	critical	critical	ADJ
eurjchem-1713	227	23	point	point	NOUN
eurjchem-1713	227	24	(	(	PUNCT
eurjchem-1713	227	25	bcp	bcp	NOUN
eurjchem-1713	227	26	)	)	PUNCT
eurjchem-1713	227	27	appears	appear	VERB
eurjchem-1713	227	28	between	between	ADP
eurjchem-1713	227	29	two	two	NUM
eurjchem-1713	227	30	adjacent	adjacent	ADJ
eurjchem-1713	227	31	atoms	atom	NOUN
eurjchem-1713	227	32	.	.	PUNCT
eurjchem-1713	228	1	the	the	DET
eurjchem-1713	228	2	nature	nature	NOUN
eurjchem-1713	228	3	of	of	ADP
eurjchem-1713	228	4	chemical	chemical	ADJ
eurjchem-1713	228	5	bonds	bond	NOUN
eurjchem-1713	228	6	is	be	AUX
eurjchem-1713	228	7	described	describe	VERB
eurjchem-1713	228	8	by	by	ADP
eurjchem-1713	228	9	the	the	DET
eurjchem-1713	228	10	total	total	ADJ
eurjchem-1713	228	11	electronic	electronic	ADJ
eurjchem-1713	228	12	density	density	NOUN
eurjchem-1713	228	13	,	,	PUNCT
eurjchem-1713	228	14	ρ(r	ρ(r	PROPN
eurjchem-1713	228	15	)	)	PUNCT
eurjchem-1713	228	16	,	,	PUNCT
eurjchem-1713	228	17	and	and	CCONJ
eurjchem-1713	228	18	its	its	PRON
eurjchem-1713	228	19	corresponding	corresponding	ADJ
eurjchem-1713	228	20	laplacian	laplacian	NOUN
eurjchem-1713	228	21	,	,	PUNCT
eurjchem-1713	228	22	∇2ρ(r	∇2ρ(r	PROPN
eurjchem-1713	228	23	)	)	PUNCT
eurjchem-1713	228	24	,	,	PUNCT
eurjchem-1713	228	25	of	of	ADP
eurjchem-1713	228	26	the	the	DET
eurjchem-1713	228	27	critical	critical	ADJ
eurjchem-1713	228	28	point	point	NOUN
eurjchem-1713	228	29	.	.	PUNCT
eurjchem-1713	229	1	the	the	DET
eurjchem-1713	229	2	hydrogen	hydrogen	NOUN
eurjchem-1713	229	3	bond	bond	NOUN
eurjchem-1713	229	4	energies	energy	NOUN
eurjchem-1713	229	5	(	(	PUNCT
eurjchem-1713	229	6	ehb	ehb	PROPN
eurjchem-1713	229	7	)	)	PUNCT
eurjchem-1713	229	8	,	,	PUNCT
eurjchem-1713	229	9	according	accord	VERB
eurjchem-1713	229	10	to	to	ADP
eurjchem-1713	229	11	the	the	DET
eurjchem-1713	229	12	espinosa	espinosa	PROPN
eurjchem-1713	229	13	et	et	PROPN
eurjchem-1713	229	14	al	al	PROPN
eurjchem-1713	229	15	.	.	PROPN
eurjchem-1713	229	16	suggestion	suggestion	NOUN
eurjchem-1713	229	17	[	[	X
eurjchem-1713	229	18	42	42	NUM
eurjchem-1713	229	19	]	]	PUNCT
eurjchem-1713	229	20	,	,	PUNCT
eurjchem-1713	229	21	the	the	DET
eurjchem-1713	229	22	calculated	calculated	ADJ
eurjchem-1713	229	23	total	total	ADJ
eurjchem-1713	229	24	electronic	electronic	ADJ
eurjchem-1713	229	25	density	density	NOUN
eurjchem-1713	229	26	and	and	CCONJ
eurjchem-1713	229	27	its	its	PRON
eurjchem-1713	229	28	corresponding	corresponding	ADJ
eurjchem-1713	229	29	laplacian	laplacian	NOUN
eurjchem-1713	229	30	of	of	ADP
eurjchem-1713	229	31	o···h	o···h	PROPN
eurjchem-1713	229	32	bcp	bcp	PROPN
eurjchem-1713	229	33	of	of	ADP
eurjchem-1713	229	34	the	the	DET
eurjchem-1713	229	35	stable	stable	ADJ
eurjchem-1713	229	36	cis	cis	NOUN
eurjchem-1713	229	37	-	-	PUNCT
eurjchem-1713	229	38	enol	enol	NOUN
eurjchem-1713	229	39	forms	form	NOUN
eurjchem-1713	229	40	and	and	CCONJ
eurjchem-1713	229	41	their	their	PRON
eurjchem-1713	229	42	average	average	ADJ
eurjchem-1713	229	43	values	value	NOUN
eurjchem-1713	229	44	,	,	PUNCT
eurjchem-1713	229	45	calculated	calculate	VERB
eurjchem-1713	229	46	at	at	ADP
eurjchem-1713	229	47	the	the	DET
eurjchem-1713	229	48	b3lyp/6	b3lyp/6	NOUN
eurjchem-1713	229	49	-	-	PUNCT
eurjchem-1713	229	50	311++g	311++g	ADJ
eurjchem-1713	229	51	*	*	NOUN
eurjchem-1713	229	52	*	*	NOUN
eurjchem-1713	229	53	level	level	NOUN
eurjchem-1713	229	54	,	,	PUNCT
eurjchem-1713	229	55	are	be	AUX
eurjchem-1713	229	56	given	give	VERB
eurjchem-1713	229	57	in	in	ADP
eurjchem-1713	229	58	tables	table	NOUN
eurjchem-1713	229	59	3	3	NUM
eurjchem-1713	229	60	-	-	SYM
eurjchem-1713	229	61	5	5	NUM
eurjchem-1713	229	62	.	.	PUNCT
eurjchem-1713	229	63	according	accord	VERB
eurjchem-1713	229	64	to	to	ADP
eurjchem-1713	229	65	these	these	DET
eurjchem-1713	229	66	tables	table	NOUN
eurjchem-1713	229	67	,	,	PUNCT
eurjchem-1713	229	68	the	the	DET
eurjchem-1713	229	69	ihb	ihb	PRON
eurjchem-1713	229	70	strength	strength	NOUN
eurjchem-1713	229	71	of	of	ADP
eurjchem-1713	229	72	the	the	DET
eurjchem-1713	229	73	titled	title	VERB
eurjchem-1713	229	74	molecules	molecule	NOUN
eurjchem-1713	229	75	are	be	AUX
eurjchem-1713	229	76	in	in	ADP
eurjchem-1713	229	77	agreement	agreement	NOUN
eurjchem-1713	229	78	with	with	ADP
eurjchem-1713	229	79	our	our	PRON
eurjchem-1713	229	80	reported	report	VERB
eurjchem-1713	229	81	trends	trend	NOUN
eurjchem-1713	229	82	(	(	PUNCT
eurjchem-1713	229	83	see	see	VERB
eurjchem-1713	229	84	trends	trend	NOUN
eurjchem-1713	229	85	1	1	NUM
eurjchem-1713	229	86	and	and	CCONJ
eurjchem-1713	229	87	2	2	NUM
eurjchem-1713	229	88	in	in	ADP
eurjchem-1713	229	89	the	the	DET
eurjchem-1713	229	90	section	section	NOUN
eurjchem-1713	229	91	3.1	3.1	NUM
eurjchem-1713	229	92	)	)	PUNCT
eurjchem-1713	229	93	.	.	PUNCT
eurjchem-1713	230	1	table	table	NOUN
eurjchem-1713	230	2	7	7	NUM
eurjchem-1713	230	3	and	and	CCONJ
eurjchem-1713	230	4	figure	figure	NOUN
eurjchem-1713	230	5	s4	s4	PROPN
eurjchem-1713	230	6	show	show	VERB
eurjchem-1713	230	7	fairly	fairly	ADV
eurjchem-1713	230	8	good	good	ADJ
eurjchem-1713	230	9	linear	linear	ADJ
eurjchem-1713	230	10	correlations	correlation	NOUN
eurjchem-1713	230	11	between	between	ADP
eurjchem-1713	230	12	the	the	DET
eurjchem-1713	230	13	ihb	ihb	PRON
eurjchem-1713	230	14	strength	strength	NOUN
eurjchem-1713	230	15	,	,	PUNCT
eurjchem-1713	230	16	ρ(r	ρ(r	PROPN
eurjchem-1713	230	17	)	)	PUNCT
eurjchem-1713	230	18	,	,	PUNCT
eurjchem-1713	230	19	and	and	CCONJ
eurjchem-1713	230	20	its	its	PRON
eurjchem-1713	230	21	corresponding	corresponding	ADJ
eurjchem-1713	230	22	laplacian	laplacian	NOUN
eurjchem-1713	230	23	of	of	ADP
eurjchem-1713	230	24	o···h	o···h	PROPN
eurjchem-1713	230	25	bcp	bcp	PROPN
eurjchem-1713	230	26	,	,	PUNCT
eurjchem-1713	230	27	the	the	DET
eurjchem-1713	230	28	correlation	correlation	NOUN
eurjchem-1713	230	29	figures	figure	NOUN
eurjchem-1713	230	30	for	for	ADP
eurjchem-1713	230	31	laplacian	laplacian	NOUN
eurjchem-1713	230	32	are	be	AUX
eurjchem-1713	230	33	not	not	PART
eurjchem-1713	230	34	shown	show	VERB
eurjchem-1713	230	35	,	,	PUNCT
eurjchem-1713	230	36	at	at	ADP
eurjchem-1713	230	37	the	the	DET
eurjchem-1713	230	38	o···h	o···h	NOUN
eurjchem-1713	230	39	bond	bond	NOUN
eurjchem-1713	230	40	critical	critical	ADJ
eurjchem-1713	230	41	point	point	NOUN
eurjchem-1713	230	42	of	of	ADP
eurjchem-1713	230	43	two	two	NUM
eurjchem-1713	230	44	cis	cis	NOUN
eurjchem-1713	230	45	-	-	PUNCT
eurjchem-1713	230	46	enol	enol	NOUN
eurjchem-1713	230	47	forms	form	NOUN
eurjchem-1713	230	48	,	,	PUNCT
eurjchem-1713	230	49	their	their	PRON
eurjchem-1713	230	50	average	average	ADJ
eurjchem-1713	230	51	and	and	CCONJ
eurjchem-1713	230	52	σp	σp	NOUN
eurjchem-1713	230	53	.	.	PUNCT
eurjchem-1713	231	1	according	accord	VERB
eurjchem-1713	231	2	to	to	ADP
eurjchem-1713	231	3	these	these	DET
eurjchem-1713	231	4	results	result	NOUN
eurjchem-1713	231	5	,	,	PUNCT
eurjchem-1713	231	6	the	the	DET
eurjchem-1713	231	7	correlation	correlation	NOUN
eurjchem-1713	231	8	coefficients	coefficient	NOUN
eurjchem-1713	231	9	are	be	AUX
eurjchem-1713	231	10	in	in	ADP
eurjchem-1713	231	11	the	the	DET
eurjchem-1713	231	12	range	range	NOUN
eurjchem-1713	231	13	0.8600	0.8600	NUM
eurjchem-1713	231	14	-	-	PUNCT
eurjchem-1713	231	15	0.9961	0.9961	NUM
eurjchem-1713	231	16	.	.	PUNCT
eurjchem-1713	232	1	it	it	PRON
eurjchem-1713	232	2	means	mean	VERB
eurjchem-1713	232	3	that	that	SCONJ
eurjchem-1713	232	4	the	the	DET
eurjchem-1713	232	5	topological	topological	ADJ
eurjchem-1713	232	6	parameters	parameter	NOUN
eurjchem-1713	232	7	as	as	ADV
eurjchem-1713	232	8	well	well	ADV
eurjchem-1713	232	9	as	as	ADP
eurjchem-1713	232	10	the	the	DET
eurjchem-1713	232	11	mentioned	mention	VERB
eurjchem-1713	232	12	parameters	parameter	NOUN
eurjchem-1713	232	13	described	describe	VERB
eurjchem-1713	232	14	the	the	DET
eurjchem-1713	232	15	relationship	relationship	NOUN
eurjchem-1713	232	16	between	between	ADP
eurjchem-1713	232	17	the	the	DET
eurjchem-1713	232	18	h	h	NOUN
eurjchem-1713	232	19	-	-	PUNCT
eurjchem-1713	232	20	bond	bond	NOUN
eurjchem-1713	232	21	strength	strength	NOUN
eurjchem-1713	232	22	and	and	CCONJ
eurjchem-1713	232	23	σp	σp	NOUN
eurjchem-1713	232	24	.	.	PUNCT
eurjchem-1713	233	1	3.2.5	3.2.5	NUM
eurjchem-1713	233	2	.	.	X
eurjchem-1713	234	1	correlation	correlation	NOUN
eurjchem-1713	234	2	between	between	ADP
eurjchem-1713	234	3	σp	σp	PROPN
eurjchem-1713	234	4	and	and	CCONJ
eurjchem-1713	234	5	nbo	nbo	PROPN
eurjchem-1713	234	6	results	result	NOUN
eurjchem-1713	234	7	related	relate	VERB
eurjchem-1713	234	8	to	to	PART
eurjchem-1713	234	9	ihbs	ihbs	VERB
eurjchem-1713	234	10	the	the	DET
eurjchem-1713	234	11	natural	natural	ADJ
eurjchem-1713	234	12	bonding	bonding	NOUN
eurjchem-1713	234	13	orbital	orbital	NOUN
eurjchem-1713	234	14	(	(	PUNCT
eurjchem-1713	234	15	nbo	nbo	NOUN
eurjchem-1713	234	16	)	)	PUNCT
eurjchem-1713	234	17	calculations	calculation	NOUN
eurjchem-1713	234	18	were	be	AUX
eurjchem-1713	234	19	carried	carry	VERB
eurjchem-1713	234	20	out	out	ADP
eurjchem-1713	234	21	by	by	ADP
eurjchem-1713	234	22	using	use	VERB
eurjchem-1713	234	23	the	the	DET
eurjchem-1713	234	24	same	same	ADJ
eurjchem-1713	234	25	method	method	NOUN
eurjchem-1713	234	26	.	.	PUNCT
eurjchem-1713	235	1	the	the	DET
eurjchem-1713	235	2	nbo	nbo	PROPN
eurjchem-1713	235	3	analysis	analysis	NOUN
eurjchem-1713	235	4	presents	present	VERB
eurjchem-1713	235	5	an	an	DET
eurjchem-1713	235	6	effective	effective	ADJ
eurjchem-1713	235	7	method	method	NOUN
eurjchem-1713	235	8	not	not	PART
eurjchem-1713	235	9	only	only	ADV
eurjchem-1713	235	10	for	for	ADP
eurjchem-1713	235	11	studying	study	VERB
eurjchem-1713	235	12	the	the	DET
eurjchem-1713	235	13	intra	intra	ADJ
eurjchem-1713	235	14	and	and	CCONJ
eurjchem-1713	235	15	inter	inter	ADJ
eurjchem-1713	235	16	-	-	ADJ
eurjchem-1713	235	17	molecular	molecular	ADJ
eurjchem-1713	235	18	bonding	bonding	NOUN
eurjchem-1713	235	19	,	,	PUNCT
eurjchem-1713	235	20	but	but	CCONJ
eurjchem-1713	235	21	also	also	ADV
eurjchem-1713	235	22	for	for	ADP
eurjchem-1713	235	23	investigating	investigate	VERB
eurjchem-1713	235	24	conjugative	conjugative	ADJ
eurjchem-1713	235	25	interaction	interaction	NOUN
eurjchem-1713	235	26	in	in	ADP
eurjchem-1713	235	27	molecular	molecular	ADJ
eurjchem-1713	235	28	systems	system	NOUN
eurjchem-1713	235	29	by	by	ADP
eurjchem-1713	235	30	using	use	VERB
eurjchem-1713	235	31	second	second	ADJ
eurjchem-1713	235	32	order	order	NOUN
eurjchem-1713	235	33	perturbation	perturbation	NOUN
eurjchem-1713	235	34	theory	theory	NOUN
eurjchem-1713	235	35	.	.	PUNCT
eurjchem-1713	236	1	the	the	DET
eurjchem-1713	236	2	second	second	ADJ
eurjchem-1713	236	3	order	order	NOUN
eurjchem-1713	236	4	fock	fock	ADJ
eurjchem-1713	236	5	matrix	matrix	NOUN
eurjchem-1713	236	6	was	be	AUX
eurjchem-1713	236	7	performed	perform	VERB
eurjchem-1713	236	8	to	to	PART
eurjchem-1713	236	9	assess	assess	VERB
eurjchem-1713	236	10	the	the	DET
eurjchem-1713	236	11	interactions	interaction	NOUN
eurjchem-1713	236	12	between	between	ADP
eurjchem-1713	236	13	donor	donor	NOUN
eurjchem-1713	236	14	and	and	CCONJ
eurjchem-1713	236	15	acceptor	acceptor	NOUN
eurjchem-1713	236	16	in	in	ADP
eurjchem-1713	236	17	the	the	DET
eurjchem-1713	236	18	nbo	nbo	PROPN
eurjchem-1713	236	19	analysis	analysis	NOUN
eurjchem-1713	236	20	.	.	PUNCT
eurjchem-1713	237	1	the	the	DET
eurjchem-1713	237	2	larger	large	ADJ
eurjchem-1713	237	3	e	e	NOUN
eurjchem-1713	237	4	(	(	PUNCT
eurjchem-1713	237	5	2	2	X
eurjchem-1713	237	6	)	)	PUNCT
eurjchem-1713	237	7	values	value	NOUN
eurjchem-1713	237	8	show	show	VERB
eurjchem-1713	237	9	the	the	DET
eurjchem-1713	237	10	more	more	ADV
eurjchem-1713	237	11	intensive	intensive	ADJ
eurjchem-1713	237	12	interaction	interaction	NOUN
eurjchem-1713	237	13	between	between	ADP
eurjchem-1713	237	14	electron	electron	NOUN
eurjchem-1713	237	15	donors	donor	NOUN
eurjchem-1713	237	16	and	and	CCONJ
eurjchem-1713	237	17	electron	electron	NOUN
eurjchem-1713	237	18	acceptors	acceptor	NOUN
eurjchem-1713	237	19	,	,	PUNCT
eurjchem-1713	237	20	that	that	ADV
eurjchem-1713	237	21	is	is	ADV
eurjchem-1713	237	22	,	,	PUNCT
eurjchem-1713	237	23	more	more	ADJ
eurjchem-1713	237	24	donating	donate	VERB
eurjchem-1713	237	25	tendency	tendency	NOUN
eurjchem-1713	237	26	from	from	ADP
eurjchem-1713	237	27	electron−donors	electron−donor	NOUN
eurjchem-1713	237	28	to	to	ADP
eurjchem-1713	237	29	electron	electron	NOUN
eurjchem-1713	237	30	-	-	PUNCT
eurjchem-1713	237	31	acceptors	acceptor	NOUN
eurjchem-1713	237	32	and	and	CCONJ
eurjchem-1713	237	33	greater	great	ADJ
eurjchem-1713	237	34	the	the	DET
eurjchem-1713	237	35	extent	extent	NOUN
eurjchem-1713	237	36	of	of	ADP
eurjchem-1713	237	37	conjugation	conjugation	NOUN
eurjchem-1713	237	38	of	of	ADP
eurjchem-1713	237	39	the	the	DET
eurjchem-1713	237	40	whole	whole	ADJ
eurjchem-1713	237	41	system	system	NOUN
eurjchem-1713	237	42	.	.	PUNCT
eurjchem-1713	238	1	the	the	DET
eurjchem-1713	238	2	nbo	nbo	PROPN
eurjchem-1713	238	3	study	study	PROPN
eurjchem-1713	238	4	,	,	PUNCT
eurjchem-1713	238	5	such	such	ADJ
eurjchem-1713	238	6	as	as	ADP
eurjchem-1713	238	7	charge	charge	NOUN
eurjchem-1713	238	8	analysis	analysis	NOUN
eurjchem-1713	238	9	,	,	PUNCT
eurjchem-1713	238	10	wiberg	wiberg	PROPN
eurjchem-1713	238	11	bond	bond	NOUN
eurjchem-1713	238	12	orders	order	NOUN
eurjchem-1713	238	13	,	,	PUNCT
eurjchem-1713	238	14	and	and	CCONJ
eurjchem-1713	238	15	hyperconjugative	hyperconjugative	ADJ
eurjchem-1713	238	16	interactions	interaction	NOUN
eurjchem-1713	238	17	,	,	PUNCT
eurjchem-1713	238	18	can	can	AUX
eurjchem-1713	238	19	be	be	AUX
eurjchem-1713	238	20	used	use	VERB
eurjchem-1713	238	21	as	as	ADP
eurjchem-1713	238	22	the	the	DET
eurjchem-1713	238	23	other	other	ADJ
eurjchem-1713	238	24	method	method	NOUN
eurjchem-1713	238	25	for	for	ADP
eurjchem-1713	238	26	characterization	characterization	NOUN
eurjchem-1713	238	27	of	of	ADP
eurjchem-1713	238	28	ihbs	ihbs	ADJ
eurjchem-1713	239	1	[	[	X
eurjchem-1713	239	2	48	48	NUM
eurjchem-1713	239	3	]	]	PUNCT
eurjchem-1713	239	4	.	.	PUNCT
eurjchem-1713	240	1	2018	2018	NUM
eurjchem-1713	240	2	–	–	PUNCT
eurjchem-1713	240	3	european	european	ADJ
eurjchem-1713	240	4	journal	journal	NOUN
eurjchem-1713	240	5	of	of	ADP
eurjchem-1713	240	6	chemistry	chemistry	NOUN
eurjchem-1713	240	7	–	–	PUNCT
eurjchem-1713	240	8	cc	cc	NOUN
eurjchem-1713	240	9	by	by	ADP
eurjchem-1713	240	10	nc	nc	PROPN
eurjchem-1713	240	11	–	–	PUNCT
eurjchem-1713	240	12	doi	doi	NOUN
eurjchem-1713	240	13	:	:	PUNCT
eurjchem-1713	240	14	10.5155	10.5155	NUM
eurjchem-1713	240	15	/	/	SYM
eurjchem-1713	240	16	eurjchem.9.3.213	eurjchem.9.3.213	PROPN
eurjchem-1713	240	17	-	-	SYM
eurjchem-1713	240	18	221.1713	221.1713	NUM
eurjchem-1713	240	19	darugar	darugar	NOUN
eurjchem-1713	240	20	et	et	PROPN
eurjchem-1713	240	21	al	al	PROPN
eurjchem-1713	240	22	.	.	PUNCT
eurjchem-1713	240	23	/	/	SYM
eurjchem-1713	240	24	european	european	PROPN
eurjchem-1713	240	25	journal	journal	PROPN
eurjchem-1713	240	26	of	of	ADP
eurjchem-1713	240	27	chemistry	chemistry	NOUN
eurjchem-1713	240	28	9	9	NUM
eurjchem-1713	240	29	(	(	PUNCT
eurjchem-1713	240	30	3	3	NUM
eurjchem-1713	240	31	)	)	PUNCT
eurjchem-1713	240	32	(	(	PUNCT
eurjchem-1713	240	33	2018	2018	NUM
eurjchem-1713	240	34	)	)	PUNCT
eurjchem-1713	240	35	213	213	NUM
eurjchem-1713	240	36	-	-	SYM
eurjchem-1713	240	37	221	221	NUM
eurjchem-1713	240	38	219	219	NUM
eurjchem-1713	240	39	table	table	NOUN
eurjchem-1713	240	40	8	8	NUM
eurjchem-1713	240	41	.	.	PUNCT
eurjchem-1713	241	1	the	the	DET
eurjchem-1713	241	2	r	r	NOUN
eurjchem-1713	241	3	square	square	ADJ
eurjchem-1713	241	4	values	value	NOUN
eurjchem-1713	241	5	between	between	ADP
eurjchem-1713	241	6	nbo	nbo	PROPN
eurjchem-1713	241	7	results	result	NOUN
eurjchem-1713	241	8	and	and	CCONJ
eurjchem-1713	241	9	difference	difference	NOUN
eurjchem-1713	241	10	energy	energy	NOUN
eurjchem-1713	241	11	homo	homo	NOUN
eurjchem-1713	241	12	and	and	CCONJ
eurjchem-1713	241	13	lumo	lumo	NOUN
eurjchem-1713	241	14	vs	vs	ADP
eurjchem-1713	241	15	σp	σp	PROPN
eurjchem-1713	241	16	.	.	PUNCT
eurjchem-1713	242	1	parameters	parameter	NOUN
eurjchem-1713	242	2	x	x	ADJ
eurjchem-1713	242	3	-	-	PUNCT
eurjchem-1713	242	4	tfba	tfba	ADJ
eurjchem-1713	242	5	x	x	NOUN
eurjchem-1713	242	6	-	-	NOUN
eurjchem-1713	242	7	adm	adm	PROPN
eurjchem-1713	242	8	2	2	NUM
eurjchem-1713	242	9	4	4	NUM
eurjchem-1713	242	10	avg	avg	NOUN
eurjchem-1713	242	11	.	.	PROPN
eurjchem-1713	243	1	2	2	NUM
eurjchem-1713	243	2	4	4	NUM
eurjchem-1713	243	3	avg	avg	NOUN
eurjchem-1713	243	4	.	.	PUNCT
eurjchem-1713	244	1	lp	lp	PROPN
eurjchem-1713	244	2	(	(	PUNCT
eurjchem-1713	244	3	1	1	NUM
eurjchem-1713	244	4	)	)	PUNCT
eurjchem-1713	244	5	o→	o→	SYM
eurjchem-1713	245	1	σ*o	σ*o	PROPN
eurjchem-1713	245	2	-	-	PROPN
eurjchem-1713	245	3	h	h	NOUN
eurjchem-1713	245	4	0.9780	0.9780	NUM
eurjchem-1713	245	5	0.8785	0.8785	NUM
eurjchem-1713	246	1	0.9564	0.9564	NUM
eurjchem-1713	246	2	0.9694	0.9694	NUM
eurjchem-1713	246	3	0.9398	0.9398	NUM
eurjchem-1713	246	4	0.9711	0.9711	NUM
eurjchem-1713	246	5	lp	lp	NOUN
eurjchem-1713	246	6	(	(	PUNCT
eurjchem-1713	246	7	2	2	NUM
eurjchem-1713	246	8	)	)	PUNCT
eurjchem-1713	246	9	o→	o→	SYM
eurjchem-1713	246	10	σ*o	σ*o	NOUN
eurjchem-1713	246	11	-	-	PROPN
eurjchem-1713	246	12	h	h	NOUN
eurjchem-1713	246	13	0.9810	0.9810	NUM
eurjchem-1713	246	14	0.9427	0.9427	NUM
eurjchem-1713	246	15	0.9854	0.9854	NUM
eurjchem-1713	246	16	0.9615	0.9615	NUM
eurjchem-1713	246	17	0.8345	0.8345	NUM
eurjchem-1713	246	18	0.9202	0.9202	NUM
eurjchem-1713	246	19	∑lp	∑lp	SYM
eurjchem-1713	246	20	(	(	PUNCT
eurjchem-1713	246	21	1	1	NUM
eurjchem-1713	246	22	)	)	PUNCT
eurjchem-1713	246	23	,	,	PUNCT
eurjchem-1713	246	24	lp	lp	PROPN
eurjchem-1713	246	25	(	(	PUNCT
eurjchem-1713	246	26	2	2	X
eurjchem-1713	246	27	)	)	PUNCT
eurjchem-1713	246	28	o→σ*o	o→σ*o	PROPN
eurjchem-1713	246	29	-	-	PUNCT
eurjchem-1713	246	30	h	h	NOUN
eurjchem-1713	246	31	0.9820	0.9820	NUM
eurjchem-1713	246	32	0.9385	0.9385	NUM
eurjchem-1713	246	33	0.9844	0.9844	NUM
eurjchem-1713	246	34	0.9680	0.9680	NUM
eurjchem-1713	246	35	0.8432	0.8432	NUM
eurjchem-1713	246	36	0.9262	0.9262	NUM
eurjchem-1713	246	37	bond	bond	NOUN
eurjchem-1713	246	38	order	order	NOUN
eurjchem-1713	246	39	o	o	NOUN
eurjchem-1713	246	40	…	…	PUNCT
eurjchem-1713	246	41	h	h	PROPN
eurjchem-1713	246	42	0.9800	0.9800	NUM
eurjchem-1713	246	43	0.9416	0.9416	NUM
eurjchem-1713	246	44	0.9847	0.9847	NUM
eurjchem-1713	246	45	0.9649	0.9649	NUM
eurjchem-1713	246	46	0.9089	0.9089	NUM
eurjchem-1713	246	47	0.9188	0.9188	NUM
eurjchem-1713	246	48	bond	bond	NOUN
eurjchem-1713	246	49	order	order	NOUN
eurjchem-1713	246	50	o	o	NOUN
eurjchem-1713	246	51	-	-	NOUN
eurjchem-1713	246	52	h	h	ADJ
eurjchem-1713	246	53	0.9778	0.9778	NUM
eurjchem-1713	246	54	0.8964	0.8964	NUM
eurjchem-1713	246	55	0.9774	0.9774	NUM
eurjchem-1713	246	56	0.9916	0.9916	NUM
eurjchem-1713	246	57	0.8514	0.8514	NUM
eurjchem-1713	246	58	0.9414	0.9414	NUM
eurjchem-1713	246	59	charge	charge	NOUN
eurjchem-1713	246	60	of	of	ADP
eurjchem-1713	246	61	hydrogen	hydrogen	NOUN
eurjchem-1713	246	62	on	on	ADP
eurjchem-1713	246	63	the	the	DET
eurjchem-1713	246	64	bridge	bridge	NOUN
eurjchem-1713	246	65	0.9585	0.9585	NUM
eurjchem-1713	246	66	0.9553	0.9553	NUM
eurjchem-1713	246	67	0.9583	0.9583	NUM
eurjchem-1713	246	68	0.9398	0.9398	NUM
eurjchem-1713	246	69	0.9233	0.9233	NUM
eurjchem-1713	246	70	0.9342	0.9342	NUM
eurjchem-1713	246	71	∆e(homo	∆e(homo	NOUN
eurjchem-1713	246	72	-	-	PUNCT
eurjchem-1713	246	73	lumo	lumo	NOUN
eurjchem-1713	246	74	)	)	PUNCT
eurjchem-1713	246	75	0.8937	0.8937	NUM
eurjchem-1713	246	76	-	-	SYM
eurjchem-1713	246	77	0.9661	0.9661	NUM
eurjchem-1713	246	78	0.9243	0.9243	NUM
eurjchem-1713	246	79	-	-	PUNCT
eurjchem-1713	246	80	0.9639	0.9639	NUM
eurjchem-1713	246	81	0.9035	0.9035	NUM
eurjchem-1713	246	82	-	-	PUNCT
eurjchem-1713	246	83	0.9899	0.9899	NUM
eurjchem-1713	246	84	0.9376	0.9376	NUM
eurjchem-1713	246	85	-	-	PUNCT
eurjchem-1713	246	86	0.9964	0.9964	NUM
eurjchem-1713	246	87	0.9185	0.9185	NUM
eurjchem-1713	246	88	-	-	SYM
eurjchem-1713	246	89	0.9986	0.9986	NUM
eurjchem-1713	246	90	0.9318	0.9318	NUM
eurjchem-1713	246	91	-	-	SYM
eurjchem-1713	246	92	0.9980	0.9980	NUM
eurjchem-1713	246	93	r²	r²	NOUN
eurjchem-1713	246	94	=	=	SYM
eurjchem-1713	246	95	0.9398	0.9398	NUM
eurjchem-1713	246	96	r²	r²	NOUN
eurjchem-1713	246	97	=	=	SYM
eurjchem-1713	246	98	0.9233	0.9233	NUM
eurjchem-1713	246	99	r²	r²	NOUN
eurjchem-1713	246	100	=	=	NOUN
eurjchem-1713	246	101	0.9342	0.9342	NUM
eurjchem-1713	246	102	0.5060	0.5060	NUM
eurjchem-1713	246	103	0.5065	0.5065	NUM
eurjchem-1713	246	104	0.5070	0.5070	NUM
eurjchem-1713	246	105	0.5075	0.5075	NUM
eurjchem-1713	247	1	0.5080	0.5080	NUM
eurjchem-1713	247	2	0.5085	0.5085	NUM
eurjchem-1713	247	3	0.5090	0.5090	NUM
eurjchem-1713	247	4	0.5095	0.5095	NUM
eurjchem-1713	247	5	0.5100	0.5100	NUM
eurjchem-1713	247	6	0.5105	0.5105	NUM
eurjchem-1713	247	7	-0.8	-0.8	PROPN
eurjchem-1713	247	8	-0.6	-0.6	PROPN
eurjchem-1713	247	9	-0.4	-0.4	PROPN
eurjchem-1713	247	10	-0.2	-0.2	PROPN
eurjchem-1713	247	11	0.0	0.0	NUM
eurjchem-1713	247	12	0.2	0.2	NUM
eurjchem-1713	247	13	0.4	0.4	NUM
eurjchem-1713	247	14	0.6	0.6	NUM
eurjchem-1713	247	15	0.8	0.8	NUM
eurjchem-1713	247	16	1.0	1.0	NUM
eurjchem-1713	247	17	c	c	NOUN
eurjchem-1713	247	18	ha	ha	INTJ
eurjchem-1713	247	19	rg	rg	PROPN
eurjchem-1713	247	20	e	e	PROPN
eurjchem-1713	247	21	of	of	ADP
eurjchem-1713	247	22	h	h	NOUN
eurjchem-1713	247	23	o	o	NOUN
eurjchem-1713	247	24	n	n	CCONJ
eurjchem-1713	248	1	br	br	NOUN
eurjchem-1713	249	1	i	i	PROPN
eurjchem-1713	249	2	d	d	PROPN
eurjchem-1713	249	3	ge	ge	PROPN
eurjchem-1713	249	4	σp	σp	PROPN
eurjchem-1713	249	5	x	x	PROPN
eurjchem-1713	249	6	-	-	PUNCT
eurjchem-1713	249	7	adm-2	adm-2	PRON
eurjchem-1713	249	8	x	x	NOUN
eurjchem-1713	249	9	-	-	PUNCT
eurjchem-1713	249	10	adm-4	adm-4	PRON
eurjchem-1713	249	11	avg.x	avg.x	PROPN
eurjchem-1713	249	12	-	-	ADJ
eurjchem-1713	249	13	adm	adm	PROPN
eurjchem-1713	249	14	figure	figure	NOUN
eurjchem-1713	249	15	2	2	NUM
eurjchem-1713	249	16	.	.	PUNCT
eurjchem-1713	250	1	the	the	DET
eurjchem-1713	250	2	linear	linear	ADJ
eurjchem-1713	250	3	correlation	correlation	NOUN
eurjchem-1713	250	4	between	between	ADP
eurjchem-1713	250	5	charge	charge	NOUN
eurjchem-1713	250	6	of	of	ADP
eurjchem-1713	250	7	h	h	PROPN
eurjchem-1713	250	8	on	on	ADP
eurjchem-1713	250	9	bridge	bridge	NOUN
eurjchem-1713	250	10	hydrogen	hydrogen	NOUN
eurjchem-1713	250	11	bond	bond	NOUN
eurjchem-1713	250	12	and	and	CCONJ
eurjchem-1713	250	13	σp	σp	PROPN
eurjchem-1713	250	14	.	.	PUNCT
eurjchem-1713	251	1	one	one	NUM
eurjchem-1713	251	2	of	of	ADP
eurjchem-1713	251	3	the	the	DET
eurjchem-1713	251	4	most	most	ADV
eurjchem-1713	251	5	important	important	ADJ
eurjchem-1713	251	6	hyperconjugative	hyperconjugative	ADJ
eurjchem-1713	251	7	interactions	interaction	NOUN
eurjchem-1713	251	8	that	that	PRON
eurjchem-1713	251	9	is	be	AUX
eurjchem-1713	251	10	proportional	proportional	ADJ
eurjchem-1713	251	11	to	to	ADP
eurjchem-1713	251	12	ihb	ihb	DET
eurjchem-1713	251	13	strength	strength	NOUN
eurjchem-1713	251	14	,	,	PUNCT
eurjchem-1713	251	15	is	be	AUX
eurjchem-1713	251	16	lp(o	lp(o	NUM
eurjchem-1713	251	17	)	)	PUNCT
eurjchem-1713	251	18	→	→	SYM
eurjchem-1713	251	19	σ*(o	σ*(o	NOUN
eurjchem-1713	251	20	–	–	PUNCT
eurjchem-1713	251	21	h	h	NOUN
eurjchem-1713	251	22	)	)	PUNCT
eurjchem-1713	251	23	,	,	PUNCT
eurjchem-1713	251	24	which	which	PRON
eurjchem-1713	251	25	are	be	AUX
eurjchem-1713	251	26	shown	show	VERB
eurjchem-1713	251	27	in	in	ADP
eurjchem-1713	251	28	tables	table	NOUN
eurjchem-1713	251	29	3	3	NUM
eurjchem-1713	251	30	-	-	SYM
eurjchem-1713	251	31	5	5	NUM
eurjchem-1713	251	32	.	.	PUNCT
eurjchem-1713	251	33	table	table	NOUN
eurjchem-1713	251	34	8	8	NUM
eurjchem-1713	251	35	and	and	CCONJ
eurjchem-1713	251	36	figure	figure	NOUN
eurjchem-1713	251	37	s5	s5	PROPN
eurjchem-1713	251	38	correlated	correlate	VERB
eurjchem-1713	251	39	these	these	DET
eurjchem-1713	251	40	interactions	interaction	NOUN
eurjchem-1713	251	41	and	and	CCONJ
eurjchem-1713	251	42	∑lp(1	∑lp(1	NOUN
eurjchem-1713	251	43	)	)	PUNCT
eurjchem-1713	251	44	,	,	PUNCT
eurjchem-1713	251	45	lp(2)o	lp(2)o	PROPN
eurjchem-1713	251	46	→	→	SYM
eurjchem-1713	251	47	σ*o	σ*o	PROPN
eurjchem-1713	251	48	-	-	NOUN
eurjchem-1713	251	49	h	h	NOUN
eurjchem-1713	251	50	with	with	ADP
eurjchem-1713	251	51	σp	σp	NOUN
eurjchem-1713	251	52	for	for	ADP
eurjchem-1713	251	53	both	both	CCONJ
eurjchem-1713	251	54	stable	stable	ADJ
eurjchem-1713	251	55	cis	cis	NOUN
eurjchem-1713	251	56	-	-	PUNCT
eurjchem-1713	251	57	enol	enol	NOUN
eurjchem-1713	251	58	forms	form	NOUN
eurjchem-1713	251	59	of	of	ADP
eurjchem-1713	251	60	the	the	DET
eurjchem-1713	251	61	title	title	NOUN
eurjchem-1713	251	62	molecules	molecule	NOUN
eurjchem-1713	251	63	and	and	CCONJ
eurjchem-1713	251	64	their	their	PRON
eurjchem-1713	251	65	average	average	NOUN
eurjchem-1713	251	66	,	,	PUNCT
eurjchem-1713	251	67	which	which	PRON
eurjchem-1713	251	68	indicates	indicate	VERB
eurjchem-1713	251	69	excellent	excellent	ADJ
eurjchem-1713	251	70	agreement	agreement	NOUN
eurjchem-1713	251	71	with	with	ADP
eurjchem-1713	251	72	σp	σp	PROPN
eurjchem-1713	251	73	.	.	PUNCT
eurjchem-1713	252	1	the	the	DET
eurjchem-1713	252	2	correlation	correlation	NOUN
eurjchem-1713	252	3	figure	figure	NOUN
eurjchem-1713	252	4	of	of	ADP
eurjchem-1713	252	5	∑lp(1),lp(2)o	∑lp(1),lp(2)o	PROPN
eurjchem-1713	252	6	→	→	SYM
eurjchem-1713	252	7	σ*o	σ*o	NOUN
eurjchem-1713	252	8	-	-	NOUN
eurjchem-1713	252	9	h	h	NOUN
eurjchem-1713	252	10	with	with	ADP
eurjchem-1713	252	11	σp	σp	PROPN
eurjchem-1713	252	12	is	be	AUX
eurjchem-1713	252	13	not	not	PART
eurjchem-1713	252	14	shown	show	VERB
eurjchem-1713	252	15	.	.	PUNCT
eurjchem-1713	253	1	the	the	DET
eurjchem-1713	253	2	calculated	calculate	VERB
eurjchem-1713	253	3	wiberg	wiberg	PROPN
eurjchem-1713	253	4	bond	bond	NOUN
eurjchem-1713	253	5	orders	order	NOUN
eurjchem-1713	253	6	[	[	X
eurjchem-1713	253	7	49	49	NUM
eurjchem-1713	253	8	]	]	PUNCT
eurjchem-1713	253	9	of	of	ADP
eurjchem-1713	253	10	o	o	ADJ
eurjchem-1713	253	11	-	-	ADJ
eurjchem-1713	253	12	h	h	ADJ
eurjchem-1713	253	13	bond	bond	NOUN
eurjchem-1713	253	14	and	and	CCONJ
eurjchem-1713	253	15	o	o	NOUN
eurjchem-1713	253	16	…	…	PUNCT
eurjchem-1713	253	17	h	h	NOUN
eurjchem-1713	253	18	and	and	CCONJ
eurjchem-1713	253	19	o	o	NOUN
eurjchem-1713	253	20	…	…	SYM
eurjchem-1713	253	21	o	o	NOUN
eurjchem-1713	253	22	distances	distance	NOUN
eurjchem-1713	253	23	for	for	ADP
eurjchem-1713	253	24	two	two	NUM
eurjchem-1713	253	25	stable	stable	ADJ
eurjchem-1713	253	26	cis	cis	NOUN
eurjchem-1713	253	27	enols	enol	NOUN
eurjchem-1713	253	28	,	,	PUNCT
eurjchem-1713	253	29	and	and	CCONJ
eurjchem-1713	253	30	their	their	PRON
eurjchem-1713	253	31	average	average	ADJ
eurjchem-1713	253	32	,	,	PUNCT
eurjchem-1713	253	33	for	for	ADP
eurjchem-1713	253	34	comparison	comparison	NOUN
eurjchem-1713	253	35	,	,	PUNCT
eurjchem-1713	253	36	are	be	AUX
eurjchem-1713	253	37	considered	consider	VERB
eurjchem-1713	253	38	.	.	PUNCT
eurjchem-1713	254	1	we	we	PRON
eurjchem-1713	254	2	correlate	correlate	VERB
eurjchem-1713	254	3	these	these	DET
eurjchem-1713	254	4	bond	bond	NOUN
eurjchem-1713	254	5	orders	order	NOUN
eurjchem-1713	254	6	with	with	ADP
eurjchem-1713	254	7	the	the	DET
eurjchem-1713	254	8	σp	σp	PROPN
eurjchem-1713	254	9	.	.	PUNCT
eurjchem-1713	255	1	excellent	excellent	ADJ
eurjchem-1713	255	2	linear	linear	ADJ
eurjchem-1713	255	3	relationships	relationship	NOUN
eurjchem-1713	255	4	between	between	ADP
eurjchem-1713	255	5	the	the	DET
eurjchem-1713	255	6	o	o	NOUN
eurjchem-1713	255	7	-	-	NOUN
eurjchem-1713	255	8	h	h	NOUN
eurjchem-1713	255	9	and	and	CCONJ
eurjchem-1713	255	10	o	o	NOUN
eurjchem-1713	255	11	…	…	PUNCT
eurjchem-1713	255	12	h	h	NOUN
eurjchem-1713	255	13	bond	bond	NOUN
eurjchem-1713	255	14	orders	order	NOUN
eurjchem-1713	255	15	with	with	ADP
eurjchem-1713	255	16	σp	σp	NOUN
eurjchem-1713	255	17	were	be	AUX
eurjchem-1713	255	18	obtained	obtain	VERB
eurjchem-1713	255	19	(	(	PUNCT
eurjchem-1713	255	20	table	table	NOUN
eurjchem-1713	255	21	8	8	NUM
eurjchem-1713	255	22	and	and	CCONJ
eurjchem-1713	255	23	figure	figure	NOUN
eurjchem-1713	255	24	s6	s6	PROPN
eurjchem-1713	255	25	)	)	PUNCT
eurjchem-1713	255	26	.	.	PUNCT
eurjchem-1713	256	1	the	the	DET
eurjchem-1713	256	2	correlation	correlation	NOUN
eurjchem-1713	256	3	between	between	ADP
eurjchem-1713	256	4	o···o	o···o	PROPN
eurjchem-1713	256	5	bond	bond	NOUN
eurjchem-1713	256	6	length	length	NOUN
eurjchem-1713	256	7	with	with	ADP
eurjchem-1713	256	8	σp	σp	PROPN
eurjchem-1713	256	9	is	be	AUX
eurjchem-1713	256	10	not	not	PART
eurjchem-1713	256	11	shown	show	VERB
eurjchem-1713	256	12	.	.	PUNCT
eurjchem-1713	257	1	because	because	SCONJ
eurjchem-1713	257	2	of	of	ADP
eurjchem-1713	257	3	poor	poor	ADJ
eurjchem-1713	257	4	correlation	correlation	NOUN
eurjchem-1713	257	5	between	between	ADP
eurjchem-1713	257	6	o···o	o···o	PROPN
eurjchem-1713	257	7	bond	bond	NOUN
eurjchem-1713	257	8	length	length	NOUN
eurjchem-1713	257	9	with	with	ADP
eurjchem-1713	257	10	σp	σp	NOUN
eurjchem-1713	257	11	,	,	PUNCT
eurjchem-1713	257	12	it	it	PRON
eurjchem-1713	257	13	is	be	AUX
eurjchem-1713	257	14	not	not	PART
eurjchem-1713	257	15	shown	show	VERB
eurjchem-1713	257	16	here	here	ADV
eurjchem-1713	257	17	.	.	PUNCT
eurjchem-1713	258	1	the	the	DET
eurjchem-1713	258	2	natural	natural	ADJ
eurjchem-1713	258	3	charge	charge	NOUN
eurjchem-1713	258	4	on	on	ADP
eurjchem-1713	258	5	the	the	DET
eurjchem-1713	258	6	bridged	bridged	ADJ
eurjchem-1713	258	7	hydrogen	hydrogen	NOUN
eurjchem-1713	258	8	,	,	PUNCT
eurjchem-1713	258	9	obtained	obtain	VERB
eurjchem-1713	258	10	by	by	ADP
eurjchem-1713	258	11	the	the	DET
eurjchem-1713	258	12	nbo	nbo	PROPN
eurjchem-1713	258	13	calculations	calculation	NOUN
eurjchem-1713	258	14	for	for	ADP
eurjchem-1713	258	15	optimized	optimize	VERB
eurjchem-1713	258	16	geometries	geometry	NOUN
eurjchem-1713	258	17	of	of	ADP
eurjchem-1713	258	18	cis	cis	NOUN
eurjchem-1713	258	19	-	-	PUNCT
eurjchem-1713	258	20	enol	enol	NOUN
eurjchem-1713	258	21	forms	form	NOUN
eurjchem-1713	258	22	and	and	CCONJ
eurjchem-1713	258	23	their	their	PRON
eurjchem-1713	258	24	average	average	NOUN
eurjchem-1713	258	25	,	,	PUNCT
eurjchem-1713	258	26	is	be	AUX
eurjchem-1713	258	27	well	well	ADV
eurjchem-1713	258	28	correlates	correlate	VERB
eurjchem-1713	258	29	with	with	ADP
eurjchem-1713	258	30	σp	σp	NOUN
eurjchem-1713	258	31	.	.	PUNCT
eurjchem-1713	259	1	the	the	DET
eurjchem-1713	259	2	r	r	NOUN
eurjchem-1713	259	3	square	square	ADJ
eurjchem-1713	259	4	values	value	NOUN
eurjchem-1713	259	5	between	between	ADP
eurjchem-1713	259	6	the	the	DET
eurjchem-1713	259	7	proton	proton	NOUN
eurjchem-1713	259	8	charge	charge	NOUN
eurjchem-1713	259	9	and	and	CCONJ
eurjchem-1713	259	10	σp	σp	PROPN
eurjchem-1713	259	11	are	be	AUX
eurjchem-1713	259	12	presented	present	VERB
eurjchem-1713	259	13	in	in	ADP
eurjchem-1713	259	14	table	table	NOUN
eurjchem-1713	259	15	8	8	NUM
eurjchem-1713	259	16	and	and	CCONJ
eurjchem-1713	259	17	figure	figure	VERB
eurjchem-1713	259	18	2	2	NUM
eurjchem-1713	259	19	good	good	ADJ
eurjchem-1713	259	20	linear	linear	ADJ
eurjchem-1713	259	21	relationship	relationship	NOUN
eurjchem-1713	259	22	between	between	ADP
eurjchem-1713	259	23	them	they	PRON
eurjchem-1713	259	24	is	be	AUX
eurjchem-1713	259	25	obtained	obtain	VERB
eurjchem-1713	259	26	.	.	PUNCT
eurjchem-1713	260	1	3.2.6	3.2.6	NUM
eurjchem-1713	260	2	.	.	PUNCT
eurjchem-1713	260	3	correlation	correlation	NOUN
eurjchem-1713	260	4	between	between	ADP
eurjchem-1713	260	5	σp	σp	NOUN
eurjchem-1713	260	6	and	and	CCONJ
eurjchem-1713	260	7	the	the	DET
eurjchem-1713	260	8	energy	energy	NOUN
eurjchem-1713	260	9	difference	difference	NOUN
eurjchem-1713	260	10	between	between	ADP
eurjchem-1713	260	11	the	the	DET
eurjchem-1713	260	12	orbitals	orbital	NOUN
eurjchem-1713	260	13	of	of	ADP
eurjchem-1713	260	14	homo	homo	NOUN
eurjchem-1713	260	15	and	and	CCONJ
eurjchem-1713	260	16	lumo	lumo	NOUN
eurjchem-1713	260	17	the	the	DET
eurjchem-1713	260	18	homo	homo	NOUN
eurjchem-1713	260	19	and	and	CCONJ
eurjchem-1713	260	20	lumo	lumo	NOUN
eurjchem-1713	260	21	describe	describe	VERB
eurjchem-1713	260	22	the	the	DET
eurjchem-1713	260	23	ability	ability	NOUN
eurjchem-1713	260	24	to	to	PART
eurjchem-1713	260	25	donate	donate	VERB
eurjchem-1713	260	26	and	and	CCONJ
eurjchem-1713	260	27	obtain	obtain	VERB
eurjchem-1713	260	28	an	an	DET
eurjchem-1713	260	29	electron	electron	NOUN
eurjchem-1713	260	30	,	,	PUNCT
eurjchem-1713	260	31	respectively	respectively	ADV
eurjchem-1713	260	32	,	,	PUNCT
eurjchem-1713	260	33	and	and	CCONJ
eurjchem-1713	260	34	the	the	DET
eurjchem-1713	260	35	energy	energy	NOUN
eurjchem-1713	260	36	gap	gap	NOUN
eurjchem-1713	260	37	between	between	ADP
eurjchem-1713	260	38	the	the	DET
eurjchem-1713	260	39	homo	homo	NOUN
eurjchem-1713	260	40	and	and	CCONJ
eurjchem-1713	260	41	lumo	lumo	NOUN
eurjchem-1713	260	42	reveals	reveal	VERB
eurjchem-1713	260	43	the	the	DET
eurjchem-1713	260	44	chemical	chemical	ADJ
eurjchem-1713	260	45	activity	activity	NOUN
eurjchem-1713	260	46	of	of	ADP
eurjchem-1713	260	47	the	the	DET
eurjchem-1713	260	48	molecule	molecule	NOUN
eurjchem-1713	261	1	[	[	X
eurjchem-1713	261	2	50,51	50,51	NOUN
eurjchem-1713	261	3	]	]	PUNCT
eurjchem-1713	261	4	.	.	PUNCT
eurjchem-1713	262	1	the	the	DET
eurjchem-1713	262	2	average	average	ADJ
eurjchem-1713	262	3	energy	energy	NOUN
eurjchem-1713	262	4	difference	difference	NOUN
eurjchem-1713	262	5	between	between	ADP
eurjchem-1713	262	6	the	the	DET
eurjchem-1713	262	7	homo	homo	NOUN
eurjchem-1713	262	8	and	and	CCONJ
eurjchem-1713	262	9	lumo	lumo	NOUN
eurjchem-1713	262	10	of	of	ADP
eurjchem-1713	262	11	the	the	DET
eurjchem-1713	262	12	title	title	NOUN
eurjchem-1713	262	13	molecules	molecule	NOUN
eurjchem-1713	262	14	are	be	AUX
eurjchem-1713	262	15	in	in	ADP
eurjchem-1713	262	16	the	the	DET
eurjchem-1713	262	17	3.87	3.87	NUM
eurjchem-1713	262	18	-	-	SYM
eurjchem-1713	262	19	4.49	4.49	NUM
eurjchem-1713	262	20	ev	ev	INTJ
eurjchem-1713	262	21	range	range	NOUN
eurjchem-1713	262	22	(	(	PUNCT
eurjchem-1713	262	23	tables	table	NOUN
eurjchem-1713	262	24	4	4	NUM
eurjchem-1713	262	25	and	and	CCONJ
eurjchem-1713	262	26	5	5	NUM
eurjchem-1713	262	27	)	)	PUNCT
eurjchem-1713	262	28	.	.	PUNCT
eurjchem-1713	263	1	this	this	DET
eurjchem-1713	263	2	energy	energy	NOUN
eurjchem-1713	263	3	gap	gap	NOUN
eurjchem-1713	263	4	indicates	indicate	VERB
eurjchem-1713	263	5	that	that	SCONJ
eurjchem-1713	263	6	the	the	DET
eurjchem-1713	263	7	title	title	NOUN
eurjchem-1713	263	8	molecules	molecule	NOUN
eurjchem-1713	263	9	are	be	AUX
eurjchem-1713	263	10	very	very	ADV
eurjchem-1713	263	11	stable	stable	ADJ
eurjchem-1713	264	1	[	[	X
eurjchem-1713	264	2	52	52	NUM
eurjchem-1713	264	3	-	-	SYM
eurjchem-1713	264	4	55	55	NUM
eurjchem-1713	264	5	]	]	PUNCT
eurjchem-1713	264	6	.	.	PUNCT
eurjchem-1713	265	1	our	our	PRON
eurjchem-1713	265	2	results	result	NOUN
eurjchem-1713	265	3	show	show	VERB
eurjchem-1713	265	4	that	that	SCONJ
eurjchem-1713	265	5	there	there	PRON
eurjchem-1713	265	6	are	be	VERB
eurjchem-1713	265	7	good	good	ADJ
eurjchem-1713	265	8	linear	linear	ADJ
eurjchem-1713	265	9	correlations	correlation	NOUN
eurjchem-1713	265	10	between	between	ADP
eurjchem-1713	265	11	σp	σp	NOUN
eurjchem-1713	265	12	and	and	CCONJ
eurjchem-1713	265	13	the	the	DET
eurjchem-1713	265	14	energy	energy	NOUN
eurjchem-1713	265	15	difference	difference	NOUN
eurjchem-1713	265	16	between	between	ADP
eurjchem-1713	265	17	homo	homo	NOUN
eurjchem-1713	265	18	and	and	CCONJ
eurjchem-1713	265	19	lumo	lumo	NOUN
eurjchem-1713	265	20	in	in	ADP
eurjchem-1713	265	21	the	the	DET
eurjchem-1713	265	22	studied	study	VERB
eurjchem-1713	265	23	molecules	molecule	NOUN
eurjchem-1713	265	24	,	,	PUNCT
eurjchem-1713	265	25	see	see	VERB
eurjchem-1713	265	26	table	table	NOUN
eurjchem-1713	265	27	8	8	NUM
eurjchem-1713	265	28	and	and	CCONJ
eurjchem-1713	265	29	figure	figure	VERB
eurjchem-1713	265	30	3	3	NUM
eurjchem-1713	265	31	.	.	PUNCT
eurjchem-1713	266	1	this	this	DET
eurjchem-1713	266	2	figure	figure	NOUN
eurjchem-1713	266	3	shows	show	VERB
eurjchem-1713	266	4	positive	positive	ADJ
eurjchem-1713	266	5	and	and	CCONJ
eurjchem-1713	266	6	negative	negative	ADJ
eurjchem-1713	266	7	slopes	slope	NOUN
eurjchem-1713	266	8	in	in	ADP
eurjchem-1713	266	9	the	the	DET
eurjchem-1713	266	10	region	region	NOUN
eurjchem-1713	266	11	of	of	ADP
eurjchem-1713	266	12	the	the	DET
eurjchem-1713	266	13	negative	negative	ADJ
eurjchem-1713	266	14	and	and	CCONJ
eurjchem-1713	266	15	positive	positive	ADJ
eurjchem-1713	266	16	σp	σp	NOUN
eurjchem-1713	266	17	,	,	PUNCT
eurjchem-1713	266	18	respectively	respectively	ADV
eurjchem-1713	266	19	.	.	PUNCT
eurjchem-1713	267	1	therefore	therefore	ADV
eurjchem-1713	267	2	,	,	PUNCT
eurjchem-1713	267	3	with	with	ADP
eurjchem-1713	267	4	increasing	increase	VERB
eurjchem-1713	267	5	of	of	ADP
eurjchem-1713	267	6	ew	ew	INTJ
eurjchem-1713	267	7	and	and	CCONJ
eurjchem-1713	267	8	ed	ed	NOUN
eurjchem-1713	267	9	of	of	ADP
eurjchem-1713	267	10	substitutions	substitution	NOUN
eurjchem-1713	267	11	,	,	PUNCT
eurjchem-1713	267	12	the	the	DET
eurjchem-1713	267	13	energy	energy	NOUN
eurjchem-1713	267	14	gap	gap	NOUN
eurjchem-1713	267	15	between	between	ADP
eurjchem-1713	267	16	the	the	DET
eurjchem-1713	267	17	homo	homo	NOUN
eurjchem-1713	267	18	and	and	CCONJ
eurjchem-1713	267	19	lumo	lumo	NOUN
eurjchem-1713	267	20	decrease	decrease	NOUN
eurjchem-1713	267	21	.	.	PUNCT
eurjchem-1713	268	1	r²	r²	NOUN
eurjchem-1713	268	2	=	=	SYM
eurjchem-1713	268	3	0.9035	0.9035	NUM
eurjchem-1713	268	4	r²	r²	NOUN
eurjchem-1713	268	5	=	=	PUNCT
eurjchem-1713	268	6	0.9899	0.9899	NUM
eurjchem-1713	268	7	3.8	3.8	NUM
eurjchem-1713	268	8	3.9	3.9	NUM
eurjchem-1713	268	9	4	4	NUM
eurjchem-1713	268	10	4.1	4.1	NUM
eurjchem-1713	268	11	4.2	4.2	NUM
eurjchem-1713	268	12	4.3	4.3	NUM
eurjchem-1713	268	13	4.4	4.4	NUM
eurjchem-1713	268	14	4.5	4.5	NUM
eurjchem-1713	268	15	4.6	4.6	NUM
eurjchem-1713	268	16	-0.8	-0.8	PROPN
eurjchem-1713	268	17	-0.6	-0.6	PROPN
eurjchem-1713	268	18	-0.4	-0.4	PROPN
eurjchem-1713	268	19	-0.2	-0.2	PROPN
eurjchem-1713	268	20	0.0	0.0	NUM
eurjchem-1713	268	21	0.2	0.2	NUM
eurjchem-1713	268	22	0.4	0.4	NUM
eurjchem-1713	268	23	0.6	0.6	NUM
eurjchem-1713	268	24	0.8	0.8	NUM
eurjchem-1713	268	25	1.0	1.0	NUM
eurjchem-1713	268	26	∆e	∆e	PROPN
eurjchem-1713	268	27	(	(	PUNCT
eurjchem-1713	268	28	h	h	NOUN
eurjchem-1713	268	29	o	o	NOUN
eurjchem-1713	268	30	m	m	VERB
eurjchem-1713	268	31	o	o	NOUN
eurjchem-1713	268	32	-l	-l	PUNCT
eurjchem-1713	268	33	u	u	NOUN
eurjchem-1713	268	34	m	m	NOUN
eurjchem-1713	268	35	o	o	NOUN
eurjchem-1713	268	36	)	)	PUNCT
eurjchem-1713	268	37	σp	σp	PROPN
eurjchem-1713	268	38	avg	avg	PROPN
eurjchem-1713	268	39	.	.	PUNCT
eurjchem-1713	269	1	x	x	PROPN
eurjchem-1713	269	2	-	-	PUNCT
eurjchem-1713	269	3	adm	adm	NOUN
eurjchem-1713	269	4	r²	r²	NOUN
eurjchem-1713	269	5	=	=	SYM
eurjchem-1713	269	6	0.9318	0.9318	NUM
eurjchem-1713	269	7	r²	r²	NOUN
eurjchem-1713	269	8	=	=	NOUN
eurjchem-1713	269	9	0.998	0.998	NUM
eurjchem-1713	269	10	3.7	3.7	NUM
eurjchem-1713	269	11	3.8	3.8	NUM
eurjchem-1713	269	12	3.9	3.9	NUM
eurjchem-1713	269	13	4.0	4.0	NUM
eurjchem-1713	269	14	4.1	4.1	NUM
eurjchem-1713	269	15	4.2	4.2	NUM
eurjchem-1713	269	16	4.3	4.3	NUM
eurjchem-1713	269	17	4.4	4.4	NUM
eurjchem-1713	269	18	4.5	4.5	NUM
eurjchem-1713	269	19	4.6	4.6	NUM
eurjchem-1713	269	20	-0.8	-0.8	PROPN
eurjchem-1713	269	21	-0.6	-0.6	PROPN
eurjchem-1713	269	22	-0.4	-0.4	PROPN
eurjchem-1713	269	23	-0.2	-0.2	PROPN
eurjchem-1713	269	24	0.0	0.0	NUM
eurjchem-1713	269	25	0.2	0.2	NUM
eurjchem-1713	269	26	0.4	0.4	NUM
eurjchem-1713	269	27	0.6	0.6	NUM
eurjchem-1713	269	28	0.8	0.8	NUM
eurjchem-1713	269	29	1.0	1.0	NUM
eurjchem-1713	269	30	∆e	∆e	PROPN
eurjchem-1713	269	31	(	(	PUNCT
eurjchem-1713	269	32	h	h	NOUN
eurjchem-1713	269	33	o	o	NOUN
eurjchem-1713	269	34	m	m	VERB
eurjchem-1713	269	35	o	o	NOUN
eurjchem-1713	269	36	-l	-l	PUNCT
eurjchem-1713	269	37	u	u	NOUN
eurjchem-1713	269	38	m	m	NOUN
eurjchem-1713	269	39	o	o	NOUN
eurjchem-1713	269	40	)	)	PUNCT
eurjchem-1713	269	41	σp	σp	PROPN
eurjchem-1713	269	42	avg	avg	PROPN
eurjchem-1713	269	43	.	.	PUNCT
eurjchem-1713	270	1	x	x	X
eurjchem-1713	270	2	-	-	PUNCT
eurjchem-1713	270	3	tfba	tfba	ADJ
eurjchem-1713	270	4	figure	figure	NOUN
eurjchem-1713	270	5	3	3	NUM
eurjchem-1713	270	6	.	.	X
eurjchem-1713	270	7	correlation	correlation	NOUN
eurjchem-1713	270	8	between	between	ADP
eurjchem-1713	270	9	σp	σp	NOUN
eurjchem-1713	270	10	and	and	CCONJ
eurjchem-1713	270	11	the	the	DET
eurjchem-1713	270	12	average	average	ADJ
eurjchem-1713	270	13	energy	energy	NOUN
eurjchem-1713	270	14	difference	difference	NOUN
eurjchem-1713	270	15	between	between	ADP
eurjchem-1713	270	16	the	the	DET
eurjchem-1713	270	17	orbitals	orbital	NOUN
eurjchem-1713	270	18	of	of	ADP
eurjchem-1713	270	19	homo	homo	NOUN
eurjchem-1713	270	20	and	and	CCONJ
eurjchem-1713	270	21	lumo	lumo	NOUN
eurjchem-1713	270	22	.	.	PUNCT
eurjchem-1713	271	1	2018	2018	NUM
eurjchem-1713	271	2	–	–	PUNCT
eurjchem-1713	271	3	european	european	ADJ
eurjchem-1713	271	4	journal	journal	NOUN
eurjchem-1713	271	5	of	of	ADP
eurjchem-1713	271	6	chemistry	chemistry	NOUN
eurjchem-1713	271	7	–	–	PUNCT
eurjchem-1713	271	8	cc	cc	NOUN
eurjchem-1713	271	9	by	by	ADP
eurjchem-1713	271	10	nc	nc	PROPN
eurjchem-1713	271	11	–	–	PUNCT
eurjchem-1713	271	12	doi	doi	NOUN
eurjchem-1713	271	13	:	:	PUNCT
eurjchem-1713	271	14	10.5155	10.5155	NUM
eurjchem-1713	271	15	/	/	SYM
eurjchem-1713	271	16	eurjchem.9.3.213	eurjchem.9.3.213	NOUN
eurjchem-1713	271	17	-	-	SYM
eurjchem-1713	271	18	221.1713	221.1713	NUM
eurjchem-1713	271	19	220	220	NUM
eurjchem-1713	271	20	darugar	darugar	NOUN
eurjchem-1713	271	21	et	et	PROPN
eurjchem-1713	271	22	al	al	PROPN
eurjchem-1713	271	23	.	.	PUNCT
eurjchem-1713	271	24	/	/	SYM
eurjchem-1713	271	25	european	european	PROPN
eurjchem-1713	271	26	journal	journal	PROPN
eurjchem-1713	271	27	of	of	ADP
eurjchem-1713	271	28	chemistry	chemistry	NOUN
eurjchem-1713	271	29	9	9	NUM
eurjchem-1713	271	30	(	(	PUNCT
eurjchem-1713	271	31	3	3	NUM
eurjchem-1713	271	32	)	)	PUNCT
eurjchem-1713	271	33	(	(	PUNCT
eurjchem-1713	271	34	2018	2018	NUM
eurjchem-1713	271	35	)	)	PUNCT
eurjchem-1713	271	36	213	213	NUM
eurjchem-1713	271	37	-	-	SYM
eurjchem-1713	271	38	221	221	NUM
eurjchem-1713	271	39	4	4	NUM
eurjchem-1713	271	40	.	.	PUNCT
eurjchem-1713	272	1	conclusion	conclusion	NOUN
eurjchem-1713	272	2	there	there	PRON
eurjchem-1713	272	3	are	be	VERB
eurjchem-1713	272	4	two	two	NUM
eurjchem-1713	272	5	stable	stable	ADJ
eurjchem-1713	272	6	cis	cis	NOUN
eurjchem-1713	272	7	-	-	PUNCT
eurjchem-1713	272	8	enol	enol	NOUN
eurjchem-1713	272	9	forms	form	NOUN
eurjchem-1713	272	10	for	for	ADP
eurjchem-1713	272	11	the	the	DET
eurjchem-1713	272	12	titled	title	VERB
eurjchem-1713	272	13	βdiketones	βdiketone	NOUN
eurjchem-1713	272	14	.	.	PUNCT
eurjchem-1713	273	1	the	the	DET
eurjchem-1713	273	2	theoretical	theoretical	ADJ
eurjchem-1713	273	3	equilibrium	equilibrium	NOUN
eurjchem-1713	273	4	constant	constant	ADJ
eurjchem-1713	273	5	(	(	PUNCT
eurjchem-1713	273	6	keq	keq	PROPN
eurjchem-1713	273	7	)	)	PUNCT
eurjchem-1713	273	8	between	between	ADP
eurjchem-1713	273	9	the	the	DET
eurjchem-1713	273	10	considered	consider	VERB
eurjchem-1713	273	11	tautomers	tautomer	NOUN
eurjchem-1713	273	12	are	be	AUX
eurjchem-1713	273	13	in	in	ADP
eurjchem-1713	273	14	agreement	agreement	NOUN
eurjchem-1713	273	15	with	with	ADP
eurjchem-1713	273	16	the	the	DET
eurjchem-1713	273	17	reported	report	VERB
eurjchem-1713	273	18	experimental	experimental	ADJ
eurjchem-1713	273	19	values	value	NOUN
eurjchem-1713	273	20	.	.	PUNCT
eurjchem-1713	274	1	the	the	DET
eurjchem-1713	274	2	intramolecular	intramolecular	ADJ
eurjchem-1713	274	3	hydrogen	hydrogen	NOUN
eurjchem-1713	274	4	bond	bond	NOUN
eurjchem-1713	274	5	for	for	ADP
eurjchem-1713	274	6	the	the	DET
eurjchem-1713	274	7	tfba	tfba	PROPN
eurjchem-1713	274	8	and	and	CCONJ
eurjchem-1713	274	9	adm	adm	PROPN
eurjchem-1713	274	10	molecules	molecule	NOUN
eurjchem-1713	274	11	and	and	CCONJ
eurjchem-1713	274	12	its	its	PRON
eurjchem-1713	274	13	substitutions	substitution	NOUN
eurjchem-1713	274	14	in	in	ADP
eurjchem-1713	274	15	para	para	NOUN
eurjchem-1713	274	16	position	position	NOUN
eurjchem-1713	274	17	have	have	AUX
eurjchem-1713	274	18	been	be	AUX
eurjchem-1713	274	19	investigated	investigate	VERB
eurjchem-1713	274	20	using	use	VERB
eurjchem-1713	274	21	the	the	DET
eurjchem-1713	274	22	b3lyp/6	b3lyp/6	NOUN
eurjchem-1713	274	23	-	-	PUNCT
eurjchem-1713	274	24	311++g	311++g	ADJ
eurjchem-1713	274	25	*	*	NOUN
eurjchem-1713	274	26	*	*	NOUN
eurjchem-1713	274	27	level	level	NOUN
eurjchem-1713	274	28	of	of	ADP
eurjchem-1713	274	29	theory	theory	NOUN
eurjchem-1713	274	30	.	.	PUNCT
eurjchem-1713	275	1	the	the	DET
eurjchem-1713	275	2	results	result	NOUN
eurjchem-1713	275	3	obtained	obtain	VERB
eurjchem-1713	275	4	from	from	ADP
eurjchem-1713	275	5	the	the	DET
eurjchem-1713	275	6	calculations	calculation	NOUN
eurjchem-1713	275	7	,	,	PUNCT
eurjchem-1713	275	8	such	such	ADJ
eurjchem-1713	275	9	as	as	ADP
eurjchem-1713	275	10	the	the	DET
eurjchem-1713	275	11	topological	topological	ADJ
eurjchem-1713	275	12	parameters	parameter	NOUN
eurjchem-1713	275	13	,	,	PUNCT
eurjchem-1713	275	14	geometrical	geometrical	ADJ
eurjchem-1713	275	15	parameters	parameter	NOUN
eurjchem-1713	275	16	,	,	PUNCT
eurjchem-1713	275	17	nbo	nbo	PROPN
eurjchem-1713	275	18	method	method	NOUN
eurjchem-1713	275	19	,	,	PUNCT
eurjchem-1713	275	20	theoretical	theoretical	ADJ
eurjchem-1713	275	21	and	and	CCONJ
eurjchem-1713	275	22	experimental	experimental	ADJ
eurjchem-1713	275	23	ir	ir	PROPN
eurjchem-1713	275	24	and	and	CCONJ
eurjchem-1713	275	25	nmr	nmr	NOUN
eurjchem-1713	275	26	spectroscopies	spectroscopy	NOUN
eurjchem-1713	275	27	,	,	PUNCT
eurjchem-1713	275	28	have	have	AUX
eurjchem-1713	275	29	been	be	AUX
eurjchem-1713	275	30	used	use	VERB
eurjchem-1713	275	31	to	to	PART
eurjchem-1713	275	32	estimate	estimate	VERB
eurjchem-1713	275	33	the	the	DET
eurjchem-1713	275	34	ihb	ihb	NOUN
eurjchem-1713	275	35	strength	strength	NOUN
eurjchem-1713	275	36	.	.	PUNCT
eurjchem-1713	276	1	all	all	DET
eurjchem-1713	276	2	these	these	DET
eurjchem-1713	276	3	results	result	NOUN
eurjchem-1713	276	4	show	show	VERB
eurjchem-1713	276	5	that	that	SCONJ
eurjchem-1713	276	6	electron	electron	NOUN
eurjchem-1713	276	7	donating	donating	NOUN
eurjchem-1713	276	8	substitutions	substitution	NOUN
eurjchem-1713	276	9	at	at	ADP
eurjchem-1713	276	10	the	the	DET
eurjchem-1713	276	11	para	para	NOUN
eurjchem-1713	276	12	position	position	NOUN
eurjchem-1713	276	13	,	,	PUNCT
eurjchem-1713	276	14	such	such	ADJ
eurjchem-1713	276	15	as	as	ADP
eurjchem-1713	276	16	nh2	nh2	PROPN
eurjchem-1713	276	17	,	,	PUNCT
eurjchem-1713	276	18	och3	och3	ADJ
eurjchem-1713	276	19	,	,	PUNCT
eurjchem-1713	276	20	ch3	ch3	PROPN
eurjchem-1713	276	21	,	,	PUNCT
eurjchem-1713	276	22	and	and	CCONJ
eurjchem-1713	276	23	oh	oh	INTJ
eurjchem-1713	276	24	,	,	PUNCT
eurjchem-1713	276	25	increases	increase	VERB
eurjchem-1713	276	26	the	the	DET
eurjchem-1713	276	27	hydrogen	hydrogen	NOUN
eurjchem-1713	276	28	bond	bond	NOUN
eurjchem-1713	276	29	strength	strength	NOUN
eurjchem-1713	276	30	,	,	PUNCT
eurjchem-1713	276	31	while	while	SCONJ
eurjchem-1713	276	32	electron	electron	NOUN
eurjchem-1713	276	33	-	-	PUNCT
eurjchem-1713	276	34	withdrawing	withdraw	VERB
eurjchem-1713	276	35	substitutions	substitution	NOUN
eurjchem-1713	276	36	,	,	PUNCT
eurjchem-1713	276	37	such	such	ADJ
eurjchem-1713	276	38	as	as	ADP
eurjchem-1713	276	39	no2	no2	NOUN
eurjchem-1713	276	40	and	and	CCONJ
eurjchem-1713	276	41	cf3	cf3	NOUN
eurjchem-1713	276	42	decreases	decrease	VERB
eurjchem-1713	276	43	the	the	DET
eurjchem-1713	276	44	ihb	ihb	NOUN
eurjchem-1713	276	45	strength	strength	NOUN
eurjchem-1713	276	46	.	.	PUNCT
eurjchem-1713	277	1	the	the	DET
eurjchem-1713	277	2	halogen	halogen	PROPN
eurjchem-1713	277	3	substitutions	substitution	NOUN
eurjchem-1713	277	4	have	have	VERB
eurjchem-1713	277	5	no	no	DET
eurjchem-1713	277	6	significant	significant	ADJ
eurjchem-1713	277	7	effect	effect	NOUN
eurjchem-1713	277	8	on	on	ADP
eurjchem-1713	277	9	the	the	DET
eurjchem-1713	277	10	ihb	ihb	NOUN
eurjchem-1713	277	11	strength	strength	NOUN
eurjchem-1713	277	12	.	.	PUNCT
eurjchem-1713	278	1	according	accord	VERB
eurjchem-1713	278	2	to	to	ADP
eurjchem-1713	278	3	various	various	ADJ
eurjchem-1713	278	4	correlation	correlation	NOUN
eurjchem-1713	278	5	graphs	graph	NOUN
eurjchem-1713	278	6	,	,	PUNCT
eurjchem-1713	278	7	correlation	correlation	NOUN
eurjchem-1713	278	8	some	some	PRON
eurjchem-1713	278	9	of	of	ADP
eurjchem-1713	278	10	the	the	DET
eurjchem-1713	278	11	geometrical	geometrical	ADJ
eurjchem-1713	278	12	and	and	CCONJ
eurjchem-1713	278	13	topological	topological	ADJ
eurjchem-1713	278	14	parameters	parameter	NOUN
eurjchem-1713	278	15	for	for	ADP
eurjchem-1713	278	16	enol-4	enol-4	NUM
eurjchem-1713	278	17	and	and	CCONJ
eurjchem-1713	278	18	enol-2	enol-2	PROPN
eurjchem-1713	278	19	forms	form	NOUN
eurjchem-1713	278	20	and	and	CCONJ
eurjchem-1713	278	21	their	their	PRON
eurjchem-1713	278	22	average	average	NOUN
eurjchem-1713	278	23	with	with	ADP
eurjchem-1713	278	24	σp	σp	NOUN
eurjchem-1713	278	25	show	show	VERB
eurjchem-1713	278	26	good	good	ADJ
eurjchem-1713	278	27	linear	linear	ADJ
eurjchem-1713	278	28	dependence	dependence	NOUN
eurjchem-1713	278	29	.	.	PUNCT
eurjchem-1713	279	1	it	it	PRON
eurjchem-1713	279	2	means	mean	VERB
eurjchem-1713	279	3	that	that	SCONJ
eurjchem-1713	279	4	the	the	DET
eurjchem-1713	279	5	above	above	ADJ
eurjchem-1713	279	6	parameters	parameter	NOUN
eurjchem-1713	279	7	and	and	CCONJ
eurjchem-1713	279	8	σp	σp	NOUN
eurjchem-1713	279	9	are	be	AUX
eurjchem-1713	279	10	good	good	ADJ
eurjchem-1713	279	11	descriptor	descriptor	NOUN
eurjchem-1713	279	12	for	for	ADP
eurjchem-1713	279	13	the	the	DET
eurjchem-1713	279	14	ihb	ihb	PRON
eurjchem-1713	279	15	strength	strength	NOUN
eurjchem-1713	279	16	.	.	PUNCT
eurjchem-1713	280	1	acknowledgment	acknowledgment	NOUN
eurjchem-1713	280	2	we	we	PRON
eurjchem-1713	280	3	are	be	AUX
eurjchem-1713	280	4	grateful	grateful	ADJ
eurjchem-1713	280	5	to	to	ADP
eurjchem-1713	280	6	the	the	DET
eurjchem-1713	280	7	university	university	NOUN
eurjchem-1713	280	8	of	of	ADP
eurjchem-1713	280	9	ferdowsi	ferdowsi	NOUN
eurjchem-1713	280	10	(	(	PUNCT
eurjchem-1713	280	11	mashhad	mashhad	PROPN
eurjchem-1713	280	12	,	,	PUNCT
eurjchem-1713	280	13	iran	iran	PROPN
eurjchem-1713	280	14	)	)	PUNCT
eurjchem-1713	280	15	for	for	ADP
eurjchem-1713	280	16	its	its	PRON
eurjchem-1713	280	17	support	support	NOUN
eurjchem-1713	280	18	of	of	ADP
eurjchem-1713	280	19	this	this	DET
eurjchem-1713	280	20	research	research	NOUN
eurjchem-1713	280	21	with	with	ADP
eurjchem-1713	280	22	number	number	NOUN
eurjchem-1713	280	23	42453	42453	NUM
eurjchem-1713	280	24	.	.	PUNCT
eurjchem-1713	281	1	supporting	support	VERB
eurjchem-1713	281	2	information	information	NOUN
eurjchem-1713	281	3	supplementary	supplementary	ADJ
eurjchem-1713	281	4	material	material	NOUN
eurjchem-1713	281	5	data	datum	NOUN
eurjchem-1713	281	6	related	relate	VERB
eurjchem-1713	281	7	to	to	ADP
eurjchem-1713	281	8	this	this	DET
eurjchem-1713	281	9	article	article	NOUN
eurjchem-1713	281	10	can	can	AUX
eurjchem-1713	281	11	be	be	AUX
eurjchem-1713	281	12	found	find	VERB
eurjchem-1713	281	13	at	at	ADP
eurjchem-1713	281	14	journal	journal	ADJ
eurjchem-1713	281	15	webpage	webpage	NOUN
eurjchem-1713	281	16	.	.	PUNCT
eurjchem-1713	282	1	disclosure	disclosure	NOUN
eurjchem-1713	282	2	statement	statement	NOUN
eurjchem-1713	282	3	conflict	conflict	NOUN
eurjchem-1713	282	4	of	of	ADP
eurjchem-1713	282	5	interests	interest	NOUN
eurjchem-1713	282	6	:	:	PUNCT
eurjchem-1713	282	7	the	the	DET
eurjchem-1713	282	8	authors	author	NOUN
eurjchem-1713	282	9	declare	declare	VERB
eurjchem-1713	282	10	that	that	SCONJ
eurjchem-1713	282	11	they	they	PRON
eurjchem-1713	282	12	have	have	VERB
eurjchem-1713	282	13	no	no	DET
eurjchem-1713	282	14	conflict	conflict	NOUN
eurjchem-1713	282	15	of	of	ADP
eurjchem-1713	282	16	interest	interest	NOUN
eurjchem-1713	282	17	.	.	PUNCT
eurjchem-1713	283	1	author	author	NOUN
eurjchem-1713	283	2	contributions	contribution	NOUN
eurjchem-1713	283	3	:	:	PUNCT
eurjchem-1713	283	4	all	all	DET
eurjchem-1713	283	5	authors	author	NOUN
eurjchem-1713	283	6	contributed	contribute	VERB
eurjchem-1713	283	7	equally	equally	ADV
eurjchem-1713	283	8	to	to	ADP
eurjchem-1713	283	9	this	this	DET
eurjchem-1713	283	10	work	work	NOUN
eurjchem-1713	283	11	.	.	PUNCT
eurjchem-1713	284	1	ethical	ethical	ADJ
eurjchem-1713	284	2	approval	approval	NOUN
eurjchem-1713	284	3	:	:	PUNCT
eurjchem-1713	285	1	all	all	DET
eurjchem-1713	285	2	ethical	ethical	ADJ
eurjchem-1713	285	3	guidelines	guideline	NOUN
eurjchem-1713	285	4	have	have	AUX
eurjchem-1713	285	5	been	be	AUX
eurjchem-1713	285	6	adhered	adhere	VERB
eurjchem-1713	285	7	.	.	PUNCT
eurjchem-1713	286	1	sample	sample	NOUN
eurjchem-1713	286	2	availability	availability	NOUN
eurjchem-1713	286	3	:	:	PUNCT
eurjchem-1713	286	4	samples	sample	NOUN
eurjchem-1713	286	5	of	of	ADP
eurjchem-1713	286	6	the	the	DET
eurjchem-1713	286	7	compounds	compound	NOUN
eurjchem-1713	286	8	are	be	AUX
eurjchem-1713	286	9	available	available	ADJ
eurjchem-1713	286	10	from	from	ADP
eurjchem-1713	286	11	the	the	DET
eurjchem-1713	286	12	author	author	NOUN
eurjchem-1713	286	13	.	.	PUNCT
eurjchem-1713	287	1	orcid	orcid	NOUN
eurjchem-1713	287	2	vahidreza	vahidreza	PROPN
eurjchem-1713	287	3	darugar	darugar	NOUN
eurjchem-1713	287	4	http://orcid.org/0000-0003-4901-9389	http://orcid.org/0000-0003-4901-9389	PROPN
eurjchem-1713	287	5	mohammad	mohammad	PROPN
eurjchem-1713	287	6	vakili	vakili	PROPN
eurjchem-1713	287	7	http://orcid.org/0000-0002-1607-2960	http://orcid.org/0000-0002-1607-2960	PROPN
eurjchem-1713	287	8	sayyed	sayyed	PROPN
eurjchem-1713	287	9	faramarz	faramarz	PROPN
eurjchem-1713	287	10	tayyari	tayyari	PROPN
eurjchem-1713	287	11	http://orcid.org/0000-0001-5741-4448	http://orcid.org/0000-0001-5741-4448	PROPN
eurjchem-1713	287	12	fadhil	fadhil	PROPN
eurjchem-1713	287	13	suleiman	suleiman	PROPN
eurjchem-1713	287	14	kamounah	kamounah	PROPN
eurjchem-1713	287	15	http://orcid.org/0000-0002-9903-9540	http://orcid.org/0000-0002-9903-9540	PROPN
eurjchem-1713	287	16	raheleh	raheleh	VERB
eurjchem-1713	287	17	afzali	afzali	PROPN
eurjchem-1713	287	18	http://orcid.org/0000-0001-8165-6973	http://orcid.org/0000-0001-8165-6973	PROPN
eurjchem-1713	287	19	references	reference	NOUN
eurjchem-1713	287	20	[	[	X
eurjchem-1713	287	21	1	1	NUM
eurjchem-1713	287	22	]	]	PUNCT
eurjchem-1713	287	23	.	.	PUNCT
eurjchem-1713	288	1	huggins	huggins	PROPN
eurjchem-1713	288	2	m.	m.	PROPN
eurjchem-1713	288	3	;	;	PUNCT
eurjchem-1713	288	4	thesis	thesis	NOUN
eurjchem-1713	288	5	,	,	PUNCT
eurjchem-1713	288	6	university	university	PROPN
eurjchem-1713	288	7	of	of	ADP
eurjchem-1713	288	8	california	california	PROPN
eurjchem-1713	288	9	,	,	PUNCT
eurjchem-1713	288	10	1919	1919	NUM
eurjchem-1713	288	11	.	.	PUNCT
eurjchem-1713	289	1	[	[	X
eurjchem-1713	289	2	2	2	NUM
eurjchem-1713	289	3	]	]	PUNCT
eurjchem-1713	289	4	.	.	PUNCT
eurjchem-1713	290	1	fuster	fuster	PROPN
eurjchem-1713	290	2	,	,	PUNCT
eurjchem-1713	290	3	f.	f.	PROPN
eurjchem-1713	290	4	;	;	PUNCT
eurjchem-1713	290	5	grabowski	grabowski	PROPN
eurjchem-1713	290	6	,	,	PUNCT
eurjchem-1713	290	7	s.	s.	PROPN
eurjchem-1713	290	8	j.	j.	PROPN
eurjchem-1713	290	9	j.	j.	PROPN
eurjchem-1713	290	10	phys	phys	PROPN
eurjchem-1713	290	11	.	.	PUNCT
eurjchem-1713	291	1	chem	chem	PROPN
eurjchem-1713	291	2	.	.	PUNCT
eurjchem-1713	292	1	a	a	DET
eurjchem-1713	292	2	2011	2011	NUM
eurjchem-1713	292	3	,	,	PUNCT
eurjchem-1713	292	4	115	115	NUM
eurjchem-1713	292	5	,	,	PUNCT
eurjchem-1713	292	6	10078	10078	NUM
eurjchem-1713	292	7	-	-	SYM
eurjchem-1713	292	8	10086	10086	NUM
eurjchem-1713	292	9	.	.	PUNCT
eurjchem-1713	293	1	[	[	X
eurjchem-1713	293	2	3	3	NUM
eurjchem-1713	293	3	]	]	PUNCT
eurjchem-1713	293	4	.	.	PUNCT
eurjchem-1713	294	1	lopes	lopes	PROPN
eurjchem-1713	294	2	jesus	jesus	PROPN
eurjchem-1713	294	3	,	,	PUNCT
eurjchem-1713	294	4	a.	a.	PROPN
eurjchem-1713	294	5	j.	j.	PROPN
eurjchem-1713	294	6	;	;	PUNCT
eurjchem-1713	294	7	redinha	redinha	NOUN
eurjchem-1713	294	8	,	,	PUNCT
eurjchem-1713	294	9	j.	j.	PROPN
eurjchem-1713	294	10	s.	s.	PROPN
eurjchem-1713	294	11	j.	j.	PROPN
eurjchem-1713	294	12	phys	phys	PROPN
eurjchem-1713	294	13	.	.	PUNCT
eurjchem-1713	295	1	chem	chem	PROPN
eurjchem-1713	295	2	.	.	PUNCT
eurjchem-1713	296	1	a	a	DET
eurjchem-1713	296	2	2011	2011	NUM
eurjchem-1713	296	3	,	,	PUNCT
eurjchem-1713	296	4	115	115	NUM
eurjchem-1713	296	5	,	,	PUNCT
eurjchem-1713	296	6	1406914077	1406914077	NUM
eurjchem-1713	296	7	.	.	PUNCT
eurjchem-1713	297	1	[	[	X
eurjchem-1713	297	2	4	4	NUM
eurjchem-1713	297	3	]	]	PUNCT
eurjchem-1713	297	4	.	.	PUNCT
eurjchem-1713	298	1	zahedi	zahedi	NOUN
eurjchem-1713	298	2	-	-	PUNCT
eurjchem-1713	298	3	tabrizi	tabrizi	NOUN
eurjchem-1713	298	4	,	,	PUNCT
eurjchem-1713	298	5	m.	m.	NOUN
eurjchem-1713	298	6	;	;	PUNCT
eurjchem-1713	298	7	farahati	farahati	PROPN
eurjchem-1713	298	8	,	,	PUNCT
eurjchem-1713	298	9	r.	r.	PROPN
eurjchem-1713	298	10	comp	comp	PROPN
eurjchem-1713	298	11	.	.	PUNCT
eurjchem-1713	299	1	theor	theor	PROPN
eurjchem-1713	299	2	.	.	PUNCT
eurjchem-1713	300	1	chem	chem	PROPN
eurjchem-1713	300	2	.	.	PUNCT
eurjchem-1713	301	1	2011	2011	NUM
eurjchem-1713	301	2	,	,	PUNCT
eurjchem-1713	301	3	977	977	NUM
eurjchem-1713	301	4	,	,	PUNCT
eurjchem-1713	301	5	195200	195200	NUM
eurjchem-1713	301	6	.	.	PUNCT
eurjchem-1713	302	1	[	[	X
eurjchem-1713	302	2	5	5	NUM
eurjchem-1713	302	3	]	]	PUNCT
eurjchem-1713	302	4	.	.	PUNCT
eurjchem-1713	303	1	bende	bende	PROPN
eurjchem-1713	303	2	,	,	PUNCT
eurjchem-1713	303	3	a.	a.	PROPN
eurjchem-1713	303	4	theor	theor	PROPN
eurjchem-1713	303	5	.	.	PUNCT
eurjchem-1713	304	1	chem	chem	PROPN
eurjchem-1713	304	2	.	.	PUNCT
eurjchem-1713	305	1	acc	acc	PROPN
eurjchem-1713	305	2	.	.	PROPN
eurjchem-1713	305	3	2010	2010	NUM
eurjchem-1713	305	4	,	,	PUNCT
eurjchem-1713	305	5	125	125	NUM
eurjchem-1713	305	6	,	,	PUNCT
eurjchem-1713	305	7	253	253	NUM
eurjchem-1713	305	8	-	-	SYM
eurjchem-1713	305	9	268	268	NUM
eurjchem-1713	305	10	.	.	PUNCT
eurjchem-1713	306	1	[	[	X
eurjchem-1713	306	2	6	6	NUM
eurjchem-1713	306	3	]	]	PUNCT
eurjchem-1713	306	4	.	.	PUNCT
eurjchem-1713	307	1	vakili	vakili	PROPN
eurjchem-1713	307	2	,	,	PUNCT
eurjchem-1713	307	3	m.	m.	NOUN
eurjchem-1713	307	4	;	;	PUNCT
eurjchem-1713	307	5	tayyari	tayyari	PROPN
eurjchem-1713	307	6	,	,	PUNCT
eurjchem-1713	307	7	s.	s.	PROPN
eurjchem-1713	307	8	f.	f.	PROPN
eurjchem-1713	307	9	;	;	PUNCT
eurjchem-1713	307	10	kanaani	kanaani	PROPN
eurjchem-1713	307	11	,	,	PUNCT
eurjchem-1713	307	12	a.	a.	NOUN
eurjchem-1713	307	13	;	;	PUNCT
eurjchem-1713	307	14	nekoei	nekoei	PROPN
eurjchem-1713	307	15	,	,	PUNCT
eurjchem-1713	307	16	a.	a.	PROPN
eurjchem-1713	307	17	r.	r.	PROPN
eurjchem-1713	307	18	;	;	PUNCT
eurjchem-1713	307	19	salemi	salemi	PROPN
eurjchem-1713	307	20	,	,	PUNCT
eurjchem-1713	307	21	s.	s.	PROPN
eurjchem-1713	307	22	;	;	PUNCT
eurjchem-1713	307	23	miremad	miremad	PROPN
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eurjchem-1713	307	25	h.	h.	PROPN
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eurjchem-1713	307	27	berenji	berenji	PROPN
eurjchem-1713	307	28	,	,	PUNCT
eurjchem-1713	307	29	a.	a.	PROPN
eurjchem-1713	307	30	r.	r.	PROPN
eurjchem-1713	307	31	;	;	PUNCT
eurjchem-1713	307	32	sammelson	sammelson	PROPN
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eurjchem-1713	307	34	r.	r.	PROPN
eurjchem-1713	307	35	e.	e.	PROPN
eurjchem-1713	307	36	j.	j.	PROPN
eurjchem-1713	307	37	mol	mol	PROPN
eurjchem-1713	307	38	.	.	PROPN
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eurjchem-1713	307	40	.	.	PUNCT
eurjchem-1713	308	1	2011	2011	NUM
eurjchem-1713	308	2	,	,	PUNCT
eurjchem-1713	308	3	998	998	NUM
eurjchem-1713	308	4	,	,	PUNCT
eurjchem-1713	308	5	99	99	NUM
eurjchem-1713	308	6	-	-	SYM
eurjchem-1713	308	7	109	109	NUM
eurjchem-1713	308	8	.	.	PUNCT
eurjchem-1713	309	1	[	[	X
eurjchem-1713	309	2	7	7	NUM
eurjchem-1713	309	3	]	]	PUNCT
eurjchem-1713	309	4	.	.	PUNCT
eurjchem-1713	309	5	vakili	vakili	PROPN
eurjchem-1713	309	6	,	,	PUNCT
eurjchem-1713	309	7	m.	m.	NOUN
eurjchem-1713	309	8	;	;	PUNCT
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eurjchem-1713	309	10	,	,	PUNCT
eurjchem-1713	309	11	a.	a.	PROPN
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eurjchem-1713	309	13	;	;	PUNCT
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eurjchem-1713	309	15	,	,	PUNCT
eurjchem-1713	309	16	s.	s.	PROPN
eurjchem-1713	309	17	f.	f.	PROPN
eurjchem-1713	309	18	;	;	PUNCT
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eurjchem-1713	309	20	,	,	PUNCT
eurjchem-1713	309	21	a.	a.	NOUN
eurjchem-1713	309	22	;	;	PUNCT
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eurjchem-1713	309	25	n.	n.	PROPN
eurjchem-1713	309	26	j.	j.	PROPN
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eurjchem-1713	309	28	.	.	PROPN
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eurjchem-1713	309	30	.	.	PUNCT
eurjchem-1713	310	1	2012	2012	NUM
eurjchem-1713	310	2	,	,	PUNCT
eurjchem-1713	310	3	1021	1021	NUM
eurjchem-1713	310	4	,	,	PUNCT
eurjchem-1713	310	5	102	102	NUM
eurjchem-1713	310	6	-	-	SYM
eurjchem-1713	310	7	111	111	NUM
eurjchem-1713	310	8	.	.	PUNCT
eurjchem-1713	311	1	[	[	X
eurjchem-1713	311	2	8	8	NUM
eurjchem-1713	311	3	]	]	PUNCT
eurjchem-1713	311	4	.	.	PUNCT
eurjchem-1713	311	5	berenji	berenji	PROPN
eurjchem-1713	311	6	,	,	PUNCT
eurjchem-1713	311	7	a.	a.	PROPN
eurjchem-1713	311	8	r.	r.	PROPN
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eurjchem-1713	311	13	f.	f.	PROPN
eurjchem-1713	311	14	;	;	PUNCT
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eurjchem-1713	311	16	,	,	PUNCT
eurjchem-1713	311	17	m.	m.	NOUN
eurjchem-1713	311	18	;	;	PUNCT
eurjchem-1713	311	19	eshghi	eshghi	PROPN
eurjchem-1713	311	20	,	,	PUNCT
eurjchem-1713	311	21	h.	h.	PROPN
eurjchem-1713	311	22	;	;	PUNCT
eurjchem-1713	311	23	vakili	vakili	NOUN
eurjchem-1713	311	24	,	,	PUNCT
eurjchem-1713	311	25	m.	m.	NOUN
eurjchem-1713	311	26	;	;	PUNCT
eurjchem-1713	311	27	shiri	shiri	PROPN
eurjchem-1713	311	28	,	,	PUNCT
eurjchem-1713	311	29	a.	a.	PROPN
eurjchem-1713	311	30	spectrochim	spectrochim	PROPN
eurjchem-1713	311	31	.	.	PUNCT
eurjchem-1713	312	1	acta	acta	PROPN
eurjchem-1713	312	2	a	a	DET
eurjchem-1713	312	3	2013	2013	NUM
eurjchem-1713	312	4	,	,	PUNCT
eurjchem-1713	312	5	102	102	NUM
eurjchem-1713	312	6	,	,	PUNCT
eurjchem-1713	312	7	350	350	NUM
eurjchem-1713	312	8	-	-	SYM
eurjchem-1713	312	9	357	357	NUM
eurjchem-1713	312	10	.	.	PUNCT
eurjchem-1713	313	1	[	[	X
eurjchem-1713	313	2	9	9	NUM
eurjchem-1713	313	3	]	]	PUNCT
eurjchem-1713	313	4	.	.	PUNCT
eurjchem-1713	313	5	gilli	gilli	PROPN
eurjchem-1713	313	6	,	,	PUNCT
eurjchem-1713	313	7	g.	g.	PROPN
eurjchem-1713	313	8	;	;	PUNCT
eurjchem-1713	313	9	gilli	gilli	PROPN
eurjchem-1713	313	10	,	,	PUNCT
eurjchem-1713	313	11	p.	p.	NOUN
eurjchem-1713	313	12	the	the	DET
eurjchem-1713	313	13	nature	nature	NOUN
eurjchem-1713	313	14	of	of	ADP
eurjchem-1713	313	15	hydrogen	hydrogen	NOUN
eurjchem-1713	313	16	bond	bond	NOUN
eurjchem-1713	313	17	,	,	PUNCT
eurjchem-1713	313	18	oxford	oxford	PROPN
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eurjchem-1713	313	20	oxford	oxford	PROPN
eurjchem-1713	313	21	university	university	PROPN
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eurjchem-1713	313	23	,	,	PUNCT
eurjchem-1713	313	24	2009	2009	NUM
eurjchem-1713	313	25	.	.	PUNCT
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eurjchem-1713	314	2	10	10	NUM
eurjchem-1713	314	3	]	]	PUNCT
eurjchem-1713	314	4	.	.	PUNCT
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eurjchem-1713	315	2	,	,	PUNCT
eurjchem-1713	315	3	g.	g.	PROPN
eurjchem-1713	315	4	;	;	PUNCT
eurjchem-1713	315	5	belluci	belluci	PROPN
eurjchem-1713	315	6	,	,	PUNCT
eurjchem-1713	315	7	f.	f.	PROPN
eurjchem-1713	315	8	;	;	PUNCT
eurjchem-1713	315	9	ferreti	ferreti	PROPN
eurjchem-1713	315	10	,	,	PUNCT
eurjchem-1713	315	11	v.	v.	ADP
eurjchem-1713	315	12	;	;	PUNCT
eurjchem-1713	315	13	bertolasi	bertolasi	ADJ
eurjchem-1713	315	14	,	,	PUNCT
eurjchem-1713	315	15	v.	v.	PROPN
eurjchem-1713	315	16	j.	j.	PROPN
eurjchem-1713	315	17	am	am	PROPN
eurjchem-1713	315	18	.	.	PUNCT
eurjchem-1713	315	19	chem	chem	NOUN
eurjchem-1713	315	20	.	.	PUNCT
eurjchem-1713	316	1	soc	soc	PROPN
eurjchem-1713	316	2	.	.	PUNCT
eurjchem-1713	317	1	1989	1989	NUM
eurjchem-1713	317	2	,	,	PUNCT
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eurjchem-1713	317	4	,	,	PUNCT
eurjchem-1713	317	5	1023	1023	NUM
eurjchem-1713	317	6	-	-	SYM
eurjchem-1713	317	7	1028	1028	NUM
eurjchem-1713	317	8	.	.	PUNCT
eurjchem-1713	318	1	[	[	X
eurjchem-1713	318	2	11	11	NUM
eurjchem-1713	318	3	]	]	PUNCT
eurjchem-1713	318	4	.	.	PUNCT
eurjchem-1713	319	1	bertolasi	bertolasi	ADJ
eurjchem-1713	319	2	,	,	PUNCT
eurjchem-1713	319	3	v.	v.	PROPN
eurjchem-1713	319	4	;	;	PUNCT
eurjchem-1713	319	5	gilli	gilli	PROPN
eurjchem-1713	319	6	,	,	PUNCT
eurjchem-1713	319	7	p.	p.	PROPN
eurjchem-1713	319	8	;	;	PUNCT
eurjchem-1713	319	9	ferreti	ferreti	PROPN
eurjchem-1713	319	10	,	,	PUNCT
eurjchem-1713	319	11	v.	v.	PROPN
eurjchem-1713	319	12	;	;	PUNCT
eurjchem-1713	319	13	gilli	gilli	PROPN
eurjchem-1713	319	14	,	,	PUNCT
eurjchem-1713	319	15	g.	g.	PROPN
eurjchem-1713	319	16	j.	j.	PROPN
eurjchem-1713	319	17	am	am	PROPN
eurjchem-1713	319	18	.	.	PUNCT
eurjchem-1713	320	1	chem	chem	NOUN
eurjchem-1713	320	2	.	.	PUNCT
eurjchem-1713	321	1	soc	soc	PROPN
eurjchem-1713	321	2	.	.	PUNCT
eurjchem-1713	322	1	1991	1991	NUM
eurjchem-1713	322	2	,	,	PUNCT
eurjchem-1713	322	3	113	113	NUM
eurjchem-1713	322	4	,	,	PUNCT
eurjchem-1713	322	5	4917	4917	NUM
eurjchem-1713	322	6	-	-	SYM
eurjchem-1713	322	7	4925	4925	NUM
eurjchem-1713	322	8	.	.	PUNCT
eurjchem-1713	323	1	[	[	X
eurjchem-1713	323	2	12	12	NUM
eurjchem-1713	323	3	]	]	PUNCT
eurjchem-1713	323	4	.	.	PUNCT
eurjchem-1713	324	1	gilli	gilli	PROPN
eurjchem-1713	324	2	,	,	PUNCT
eurjchem-1713	324	3	p.	p.	PROPN
eurjchem-1713	324	4	;	;	PUNCT
eurjchem-1713	324	5	bertolasi	bertolasi	ADJ
eurjchem-1713	324	6	,	,	PUNCT
eurjchem-1713	324	7	v.	v.	PROPN
eurjchem-1713	324	8	;	;	PUNCT
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eurjchem-1713	324	10	,	,	PUNCT
eurjchem-1713	324	11	v.	v.	ADV
eurjchem-1713	324	12	;	;	PUNCT
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eurjchem-1713	324	14	,	,	PUNCT
eurjchem-1713	324	15	g.	g.	PROPN
eurjchem-1713	324	16	j.	j.	PROPN
eurjchem-1713	324	17	am	am	PROPN
eurjchem-1713	324	18	.	.	PUNCT
eurjchem-1713	325	1	chem	chem	NOUN
eurjchem-1713	325	2	.	.	PUNCT
eurjchem-1713	326	1	soc	soc	PROPN
eurjchem-1713	326	2	.	.	PUNCT
eurjchem-1713	327	1	1994	1994	NUM
eurjchem-1713	327	2	,	,	PUNCT
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eurjchem-1713	327	4	,	,	PUNCT
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eurjchem-1713	327	6	-	-	SYM
eurjchem-1713	327	7	915	915	NUM
eurjchem-1713	327	8	.	.	PUNCT
eurjchem-1713	328	1	[	[	X
eurjchem-1713	328	2	13	13	NUM
eurjchem-1713	328	3	]	]	PUNCT
eurjchem-1713	328	4	.	.	PUNCT
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eurjchem-1713	329	2	,	,	PUNCT
eurjchem-1713	329	3	s.	s.	PROPN
eurjchem-1713	329	4	f.	f.	PROPN
eurjchem-1713	329	5	;	;	PUNCT
eurjchem-1713	329	6	najafi	najafi	PROPN
eurjchem-1713	329	7	,	,	PUNCT
eurjchem-1713	329	8	a.	a.	NOUN
eurjchem-1713	329	9	;	;	PUNCT
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eurjchem-1713	329	11	,	,	PUNCT
eurjchem-1713	329	12	s.	s.	PROPN
eurjchem-1713	329	13	;	;	PUNCT
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eurjchem-1713	329	15	,	,	PUNCT
eurjchem-1713	329	16	r.	r.	PROPN
eurjchem-1713	329	17	;	;	PUNCT
eurjchem-1713	329	18	wang	wang	PROPN
eurjchem-1713	329	19	,	,	PUNCT
eurjchem-1713	329	20	y.	y.	PROPN
eurjchem-1713	329	21	a.	a.	PROPN
eurjchem-1713	329	22	j.	j.	PROPN
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eurjchem-1713	329	24	.	.	PROPN
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eurjchem-1713	329	26	.	.	PUNCT
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eurjchem-1713	329	28	,	,	PUNCT
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eurjchem-1713	329	30	,	,	PUNCT
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eurjchem-1713	329	32	-	-	SYM
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eurjchem-1713	329	34	.	.	PUNCT
eurjchem-1713	330	1	[	[	X
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eurjchem-1713	330	3	]	]	PUNCT
eurjchem-1713	330	4	.	.	PUNCT
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eurjchem-1713	331	2	-	-	PUNCT
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eurjchem-1713	331	4	,	,	PUNCT
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eurjchem-1713	331	6	;	;	PUNCT
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eurjchem-1713	331	8	,	,	PUNCT
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eurjchem-1713	331	10	;	;	PUNCT
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eurjchem-1713	331	12	-	-	PUNCT
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eurjchem-1713	331	14	,	,	PUNCT
eurjchem-1713	331	15	z.	z.	PROPN
eurjchem-1713	331	16	;	;	PUNCT
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eurjchem-1713	331	18	,	,	PUNCT
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eurjchem-1713	331	20	;	;	PUNCT
eurjchem-1713	331	21	tayyari	tayyari	PROPN
eurjchem-1713	331	22	,	,	PUNCT
eurjchem-1713	331	23	s.	s.	PROPN
eurjchem-1713	331	24	f.	f.	PROPN
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eurjchem-1713	331	26	.	.	PUNCT
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eurjchem-1713	332	2	a	a	DET
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eurjchem-1713	332	4	,	,	PUNCT
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eurjchem-1713	332	6	,	,	PUNCT
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eurjchem-1713	332	8	-	-	SYM
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eurjchem-1713	332	10	.	.	PUNCT
eurjchem-1713	333	1	[	[	X
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eurjchem-1713	333	3	]	]	PUNCT
eurjchem-1713	333	4	.	.	PUNCT
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eurjchem-1713	334	2	,	,	PUNCT
eurjchem-1713	334	3	s.	s.	PROPN
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eurjchem-1713	334	5	;	;	PUNCT
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eurjchem-1713	334	7	-	-	PUNCT
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eurjchem-1713	334	9	,	,	PUNCT
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eurjchem-1713	334	11	;	;	PUNCT
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eurjchem-1713	334	13	,	,	PUNCT
eurjchem-1713	334	14	h.	h.	PROPN
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eurjchem-1713	334	16	.	.	PUNCT
eurjchem-1713	335	1	acta	acta	PROPN
eurjchem-1713	335	2	a	a	DET
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eurjchem-1713	335	4	,	,	PUNCT
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eurjchem-1713	335	6	,	,	PUNCT
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eurjchem-1713	335	8	-	-	SYM
eurjchem-1713	335	9	1679	1679	NUM
eurjchem-1713	335	10	.	.	PUNCT
eurjchem-1713	336	1	[	[	X
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eurjchem-1713	336	3	]	]	PUNCT
eurjchem-1713	336	4	.	.	PUNCT
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eurjchem-1713	336	6	,	,	PUNCT
eurjchem-1713	336	7	v.	v.	PROPN
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eurjchem-1713	336	9	;	;	PUNCT
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eurjchem-1713	336	11	,	,	PUNCT
eurjchem-1713	336	12	m.	m.	NOUN
eurjchem-1713	336	13	;	;	PUNCT
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eurjchem-1713	336	15	,	,	PUNCT
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eurjchem-1713	336	17	r.	r.	PROPN
eurjchem-1713	336	18	;	;	PUNCT
eurjchem-1713	336	19	tayyari	tayyari	PROPN
eurjchem-1713	336	20	,	,	PUNCT
eurjchem-1713	336	21	s.	s.	PROPN
eurjchem-1713	336	22	f.	f.	PROPN
eurjchem-1713	336	23	;	;	PUNCT
eurjchem-1713	336	24	afzali	afzali	PROPN
eurjchem-1713	336	25	.	.	PUNCT
eurjchem-1713	337	1	r.	r.	PROPN
eurjchem-1713	337	2	j.	j.	PROPN
eurjchem-1713	337	3	mol	mol	PROPN
eurjchem-1713	337	4	.	.	PROPN
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eurjchem-1713	337	6	.	.	PUNCT
eurjchem-1713	338	1	2017	2017	NUM
eurjchem-1713	338	2	,	,	PUNCT
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eurjchem-1713	338	4	,	,	PUNCT
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eurjchem-1713	338	6	-	-	SYM
eurjchem-1713	338	7	437	437	NUM
eurjchem-1713	338	8	.	.	PUNCT
eurjchem-1713	339	1	[	[	X
eurjchem-1713	339	2	17	17	NUM
eurjchem-1713	339	3	]	]	PUNCT
eurjchem-1713	339	4	.	.	PUNCT
eurjchem-1713	340	1	schwarzenbach	schwarzenbach	PROPN
eurjchem-1713	340	2	,	,	PUNCT
eurjchem-1713	340	3	r.	r.	PROPN
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eurjchem-1713	340	5	;	;	PUNCT
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eurjchem-1713	340	7	,	,	PUNCT
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eurjchem-1713	340	10	;	;	PUNCT
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eurjchem-1713	340	12	,	,	PUNCT
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eurjchem-1713	340	22	;	;	PUNCT
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eurjchem-1713	340	24	-	-	PUNCT
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eurjchem-1713	340	27	,	,	PUNCT
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eurjchem-1713	340	29	,	,	PUNCT
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eurjchem-1713	340	31	,	,	PUNCT
eurjchem-1713	340	32	253	253	NUM
eurjchem-1713	340	33	-	-	SYM
eurjchem-1713	340	34	268	268	NUM
eurjchem-1713	340	35	.	.	PUNCT
eurjchem-1713	341	1	[	[	X
eurjchem-1713	341	2	18	18	NUM
eurjchem-1713	341	3	]	]	PUNCT
eurjchem-1713	341	4	.	.	PUNCT
eurjchem-1713	342	1	jaffe	jaffe	PROPN
eurjchem-1713	342	2	,	,	PUNCT
eurjchem-1713	342	3	h.	h.	PROPN
eurjchem-1713	342	4	h.	h.	PROPN
eurjchem-1713	342	5	chem	chem	PROPN
eurjchem-1713	342	6	.	.	PUNCT
eurjchem-1713	343	1	rev	rev	PROPN
eurjchem-1713	343	2	.	.	PROPN
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eurjchem-1713	343	4	,	,	PUNCT
eurjchem-1713	343	5	53(2	53(2	NUM
eurjchem-1713	343	6	)	)	PUNCT
eurjchem-1713	343	7	,	,	PUNCT
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eurjchem-1713	343	9	-	-	SYM
eurjchem-1713	343	10	261	261	NUM
eurjchem-1713	343	11	.	.	PUNCT
eurjchem-1713	344	1	[	[	X
eurjchem-1713	344	2	19	19	NUM
eurjchem-1713	344	3	]	]	PUNCT
eurjchem-1713	344	4	.	.	PUNCT
eurjchem-1713	345	1	yingst	yingst	PROPN
eurjchem-1713	345	2	,	,	PUNCT
eurjchem-1713	345	3	a.	a.	NOUN
eurjchem-1713	345	4	;	;	PUNCT
eurjchem-1713	345	5	mcdaniel	mcdaniel	PROPN
eurjchem-1713	345	6	,	,	PUNCT
eurjchem-1713	345	7	d.	d.	PROPN
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eurjchem-1713	345	9	j.	j.	PROPN
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eurjchem-1713	345	11	.	.	PUNCT
eurjchem-1713	346	1	nucl	nucl	PROPN
eurjchem-1713	346	2	.	.	PUNCT
eurjchem-1713	347	1	chem	chem	PROPN
eurjchem-1713	347	2	.	.	PUNCT
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eurjchem-1713	348	2	,	,	PUNCT
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eurjchem-1713	348	4	,	,	PUNCT
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eurjchem-1713	348	6	-	-	SYM
eurjchem-1713	348	7	2929	2929	NUM
eurjchem-1713	348	8	.	.	PUNCT
eurjchem-1713	349	1	[	[	X
eurjchem-1713	349	2	20	20	NUM
eurjchem-1713	349	3	]	]	PUNCT
eurjchem-1713	349	4	.	.	PUNCT
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eurjchem-1713	350	2	,	,	PUNCT
eurjchem-1713	350	3	w.	w.	PROPN
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eurjchem-1713	350	5	;	;	PUNCT
eurjchem-1713	350	6	jones	jones	PROPN
eurjchem-1713	350	7	,	,	PUNCT
eurjchem-1713	350	8	m.	m.	NOUN
eurjchem-1713	350	9	m.	m.	PROPN
eurjchem-1713	350	10	j.	j.	PROPN
eurjchem-1713	350	11	inorg	inorg	PROPN
eurjchem-1713	350	12	.	.	PUNCT
eurjchem-1713	350	13	nucl	nucl	PROPN
eurjchem-1713	350	14	.	.	PUNCT
eurjchem-1713	351	1	chem	chem	PROPN
eurjchem-1713	351	2	.	.	PUNCT
eurjchem-1713	352	1	1962	1962	NUM
eurjchem-1713	352	2	,	,	PUNCT
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eurjchem-1713	352	4	,	,	PUNCT
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eurjchem-1713	352	6	-	-	SYM
eurjchem-1713	352	7	517	517	NUM
eurjchem-1713	352	8	.	.	PUNCT
eurjchem-1713	353	1	[	[	X
eurjchem-1713	353	2	21	21	NUM
eurjchem-1713	353	3	]	]	PUNCT
eurjchem-1713	353	4	.	.	PUNCT
eurjchem-1713	354	1	jimenez	jimenez	PROPN
eurjchem-1713	354	2	-	-	PUNCT
eurjchem-1713	354	3	cruz	cruz	PROPN
eurjchem-1713	354	4	,	,	PUNCT
eurjchem-1713	354	5	f.	f.	PROPN
eurjchem-1713	354	6	j.	j.	PROPN
eurjchem-1713	354	7	;	;	PUNCT
eurjchem-1713	354	8	olivares	olivares	PROPN
eurjchem-1713	354	9	,	,	PUNCT
eurjchem-1713	354	10	h.	h.	PROPN
eurjchem-1713	354	11	r.	r.	PROPN
eurjchem-1713	354	12	;	;	PUNCT
eurjchem-1713	354	13	gutierrez	gutierrez	PROPN
eurjchem-1713	354	14	,	,	PUNCT
eurjchem-1713	354	15	j.	j.	PROPN
eurjchem-1713	354	16	l.	l.	PROPN
eurjchem-1713	354	17	;	;	PUNCT
eurjchem-1713	354	18	fragoza	fragoza	PROPN
eurjchem-1713	354	19	,	,	PUNCT
eurjchem-1713	354	20	m.	m.	PROPN
eurjchem-1713	354	21	l.	l.	PROPN
eurjchem-1713	354	22	j.	j.	PROPN
eurjchem-1713	354	23	mol	mol	PROPN
eurjchem-1713	354	24	.	.	PROPN
eurjchem-1713	354	25	struc	struc	PROPN
eurjchem-1713	354	26	.	.	PUNCT
eurjchem-1713	355	1	2015	2015	NUM
eurjchem-1713	355	2	,	,	PUNCT
eurjchem-1713	355	3	1101	1101	NUM
eurjchem-1713	355	4	,	,	PUNCT
eurjchem-1713	355	5	162	162	NUM
eurjchem-1713	355	6	-	-	SYM
eurjchem-1713	355	7	169	169	NUM
eurjchem-1713	355	8	.	.	PUNCT
eurjchem-1713	356	1	[	[	X
eurjchem-1713	356	2	22	22	NUM
eurjchem-1713	356	3	]	]	PUNCT
eurjchem-1713	356	4	.	.	PUNCT
eurjchem-1713	357	1	jimenez	jimenez	PROPN
eurjchem-1713	357	2	-	-	PUNCT
eurjchem-1713	357	3	cruz	cruz	PROPN
eurjchem-1713	357	4	,	,	PUNCT
eurjchem-1713	357	5	f.	f.	PROPN
eurjchem-1713	357	6	j.	j.	PROPN
eurjchem-1713	357	7	;	;	PUNCT
eurjchem-1713	357	8	mar	mar	PROPN
eurjchem-1713	357	9	,	,	PUNCT
eurjchem-1713	357	10	l.	l.	PROPN
eurjchem-1713	357	11	f.	f.	PROPN
eurjchem-1713	357	12	;	;	PUNCT
eurjchem-1713	357	13	gutierrez	gutierrez	PROPN
eurjchem-1713	357	14	,	,	PUNCT
eurjchem-1713	357	15	j.	j.	PROPN
eurjchem-1713	357	16	l.	l.	PROPN
eurjchem-1713	357	17	j.	j.	PROPN
eurjchem-1713	357	18	mol	mol	PROPN
eurjchem-1713	357	19	.	.	PROPN
eurjchem-1713	357	20	struc	struc	PROPN
eurjchem-1713	357	21	.	.	PUNCT
eurjchem-1713	358	1	2013	2013	NUM
eurjchem-1713	358	2	,	,	PUNCT
eurjchem-1713	358	3	1034	1034	NUM
eurjchem-1713	358	4	,	,	PUNCT
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eurjchem-1713	358	6	-	-	SYM
eurjchem-1713	358	7	50	50	NUM
eurjchem-1713	358	8	.	.	PUNCT
eurjchem-1713	359	1	[	[	X
eurjchem-1713	359	2	23	23	NUM
eurjchem-1713	359	3	]	]	SYM
eurjchem-1713	359	4	.	.	PUNCT
eurjchem-1713	360	1	darugar	darugar	NOUN
eurjchem-1713	360	2	,	,	PUNCT
eurjchem-1713	360	3	v.	v.	PROPN
eurjchem-1713	360	4	r.	r.	PROPN
eurjchem-1713	360	5	;	;	PUNCT
eurjchem-1713	360	6	vakili	vakili	NOUN
eurjchem-1713	360	7	,	,	PUNCT
eurjchem-1713	360	8	m.	m.	NOUN
eurjchem-1713	360	9	;	;	PUNCT
eurjchem-1713	360	10	tayyari	tayyari	PROPN
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eurjchem-1713	360	12	s.	s.	PROPN
eurjchem-1713	360	13	f.	f.	PROPN
eurjchem-1713	360	14	;	;	PUNCT
eurjchem-1713	360	15	eshghi	eshghi	PROPN
eurjchem-1713	360	16	,	,	PUNCT
eurjchem-1713	360	17	h.	h.	PROPN
eurjchem-1713	360	18	;	;	PUNCT
eurjchem-1713	360	19	afzali	afzali	PROPN
eurjchem-1713	360	20	,	,	PUNCT
eurjchem-1713	360	21	r.	r.	PROPN
eurjchem-1713	360	22	orient	orient	PROPN
eurjchem-1713	360	23	.	.	PUNCT
eurjchem-1713	361	1	j.	j.	PROPN
eurjchem-1713	361	2	chem	chem	PROPN
eurjchem-1713	361	3	.	.	PUNCT
eurjchem-1713	362	1	2017	2017	NUM
eurjchem-1713	362	2	,	,	PUNCT
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eurjchem-1713	362	4	,	,	PUNCT
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eurjchem-1713	362	6	-	-	SYM
eurjchem-1713	362	7	2590	2590	NUM
eurjchem-1713	362	8	.	.	PUNCT
eurjchem-1713	363	1	[	[	X
eurjchem-1713	363	2	24	24	NUM
eurjchem-1713	363	3	]	]	PUNCT
eurjchem-1713	363	4	.	.	PUNCT
eurjchem-1713	364	1	bader	bader	PROPN
eurjchem-1713	364	2	,	,	PUNCT
eurjchem-1713	364	3	r.	r.	PROPN
eurjchem-1713	364	4	w.	w.	PROPN
eurjchem-1713	364	5	f.	f.	PROPN
eurjchem-1713	364	6	;	;	PUNCT
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eurjchem-1713	364	14	,	,	PUNCT
eurjchem-1713	364	15	oxford	oxford	PROPN
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eurjchem-1713	364	23	.	.	PUNCT
eurjchem-1713	365	1	[	[	X
eurjchem-1713	365	2	25	25	NUM
eurjchem-1713	365	3	]	]	PUNCT
eurjchem-1713	365	4	.	.	PUNCT
eurjchem-1713	366	1	emamian	emamian	PROPN
eurjchem-1713	366	2	,	,	PUNCT
eurjchem-1713	366	3	s.	s.	PROPN
eurjchem-1713	366	4	r.	r.	PROPN
eurjchem-1713	366	5	;	;	PUNCT
eurjchem-1713	366	6	tayyari	tayyari	PROPN
eurjchem-1713	366	7	,	,	PUNCT
eurjchem-1713	366	8	s.	s.	PROPN
eurjchem-1713	366	9	f.	f.	PROPN
eurjchem-1713	366	10	j.	j.	PROPN
eurjchem-1713	366	11	chem	chem	PROPN
eurjchem-1713	366	12	.	.	PUNCT
eurjchem-1713	367	1	sci	sci	PROPN
eurjchem-1713	367	2	.	.	PROPN
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eurjchem-1713	367	4	,	,	PUNCT
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eurjchem-1713	367	6	,	,	PUNCT
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eurjchem-1713	367	8	-	-	SYM
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eurjchem-1713	367	10	.	.	PUNCT
eurjchem-1713	368	1	[	[	X
eurjchem-1713	368	2	26	26	NUM
eurjchem-1713	368	3	]	]	PUNCT
eurjchem-1713	368	4	.	.	PUNCT
eurjchem-1713	368	5	frisch	frisch	PROPN
eurjchem-1713	368	6	,	,	PUNCT
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eurjchem-1713	368	8	j.	j.	PROPN
eurjchem-1713	368	9	;	;	PUNCT
eurjchem-1713	368	10	trucks	truck	NOUN
eurjchem-1713	368	11	g.	g.	PROPN
eurjchem-1713	368	12	w.	w.	PROPN
eurjchem-1713	368	13	;	;	PUNCT
eurjchem-1713	368	14	schlegel	schlegel	PROPN
eurjchem-1713	368	15	,	,	PUNCT
eurjchem-1713	368	16	h.	h.	PROPN
eurjchem-1713	368	17	b.	b.	PROPN
eurjchem-1713	368	18	;	;	PUNCT
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eurjchem-1713	368	20	,	,	PUNCT
eurjchem-1713	368	21	g.	g.	PROPN
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eurjchem-1713	368	23	;	;	PUNCT
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eurjchem-1713	368	28	;	;	PUNCT
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eurjchem-1713	368	31	j.	j.	PROPN
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eurjchem-1713	368	33	;	;	PUNCT
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eurjchem-1713	368	35	,	,	PUNCT
eurjchem-1713	368	36	g.	g.	PROPN
eurjchem-1713	368	37	;	;	PUNCT
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eurjchem-1713	368	39	,	,	PUNCT
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eurjchem-1713	368	41	;	;	PUNCT
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eurjchem-1713	368	43	,	,	PUNCT
eurjchem-1713	368	44	b.	b.	PROPN
eurjchem-1713	368	45	;	;	PUNCT
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eurjchem-1713	368	48	g.	g.	PROPN
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eurjchem-1713	368	50	;	;	PUNCT
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eurjchem-1713	368	52	,	,	PUNCT
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eurjchem-1713	368	54	;	;	PUNCT
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eurjchem-1713	368	58	;	;	PUNCT
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eurjchem-1713	368	67	;	;	PUNCT
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eurjchem-1713	368	70	a.	a.	PROPN
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eurjchem-1713	368	72	;	;	PUNCT
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eurjchem-1713	368	74	,	,	PUNCT
eurjchem-1713	368	75	j.	j.	PROPN
eurjchem-1713	368	76	;	;	PUNCT
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eurjchem-1713	368	78	,	,	PUNCT
eurjchem-1713	368	79	g.	g.	PROPN
eurjchem-1713	368	80	;	;	PUNCT
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eurjchem-1713	368	83	j.	j.	PROPN
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eurjchem-1713	368	85	;	;	PUNCT
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eurjchem-1713	368	88	m.	m.	NOUN
eurjchem-1713	368	89	;	;	PUNCT
eurjchem-1713	368	90	ehara	ehara	PROPN
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eurjchem-1713	368	92	m.	m.	NOUN
eurjchem-1713	368	93	;	;	PUNCT
eurjchem-1713	368	94	toyota	toyota	PROPN
eurjchem-1713	368	95	,	,	PUNCT
eurjchem-1713	368	96	k.	k.	PROPN
eurjchem-1713	368	97	;	;	PUNCT
eurjchem-1713	368	98	fukuda	fukuda	PROPN
eurjchem-1713	368	99	,	,	PUNCT
eurjchem-1713	368	100	r.	r.	PROPN
eurjchem-1713	368	101	;	;	PUNCT
eurjchem-1713	368	102	hasegawa	hasegawa	PROPN
eurjchem-1713	368	103	,	,	PUNCT
eurjchem-1713	368	104	j.	j.	PROPN
eurjchem-1713	368	105	;	;	PUNCT
eurjchem-1713	368	106	ishida	ishida	PROPN
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eurjchem-1713	368	108	m.	m.	NOUN
eurjchem-1713	368	109	;	;	PUNCT
eurjchem-1713	368	110	nakajima	nakajima	PROPN
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eurjchem-1713	368	112	t.	t.	PROPN
eurjchem-1713	368	113	;	;	PUNCT
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eurjchem-1713	368	116	y.	y.	PROPN
eurjchem-1713	368	117	;	;	PUNCT
eurjchem-1713	368	118	kitao	kitao	PROPN
eurjchem-1713	368	119	,	,	PUNCT
eurjchem-1713	368	120	o.	o.	PROPN
eurjchem-1713	368	121	;	;	PUNCT
eurjchem-1713	368	122	nakai	nakai	PROPN
eurjchem-1713	368	123	,	,	PUNCT
eurjchem-1713	368	124	h.	h.	PROPN
eurjchem-1713	368	125	;	;	PUNCT
eurjchem-1713	368	126	vreven	vreven	VERB
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eurjchem-1713	368	128	t.	t.	PROPN
eurjchem-1713	368	129	;	;	PUNCT
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eurjchem-1713	368	131	,	,	PUNCT
eurjchem-1713	368	132	j.	j.	PROPN
eurjchem-1713	368	133	a.	a.	PROPN
eurjchem-1713	368	134	;	;	PUNCT
eurjchem-1713	368	135	peralta	peralta	PROPN
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eurjchem-1713	368	137	j.	j.	PROPN
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eurjchem-1713	368	139	;	;	PUNCT
eurjchem-1713	368	140	ogliaro	ogliaro	PROPN
eurjchem-1713	368	141	,	,	PUNCT
eurjchem-1713	368	142	f.	f.	PROPN
eurjchem-1713	368	143	;	;	PUNCT
eurjchem-1713	368	144	bearpark	bearpark	PROPN
eurjchem-1713	368	145	,	,	PUNCT
eurjchem-1713	368	146	m.	m.	NOUN
eurjchem-1713	368	147	;	;	PUNCT
eurjchem-1713	368	148	heyd	heyd	PROPN
eurjchem-1713	368	149	,	,	PUNCT
eurjchem-1713	368	150	j.	j.	PROPN
eurjchem-1713	368	151	j.	j.	PROPN
eurjchem-1713	368	152	;	;	PUNCT
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eurjchem-1713	368	154	,	,	PUNCT
eurjchem-1713	368	155	e.	e.	PROPN
eurjchem-1713	368	156	;	;	PUNCT
eurjchem-1713	368	157	kudin	kudin	PROPN
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eurjchem-1713	368	159	k.	k.	PROPN
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eurjchem-1713	368	161	;	;	PUNCT
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eurjchem-1713	368	163	,	,	PUNCT
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eurjchem-1713	368	166	;	;	PUNCT
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eurjchem-1713	368	177	k.	k.	PROPN
eurjchem-1713	368	178	;	;	PUNCT
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eurjchem-1713	368	182	;	;	PUNCT
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eurjchem-1713	368	192	;	;	PUNCT
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eurjchem-1713	368	194	,	,	PUNCT
eurjchem-1713	368	195	j.	j.	PROPN
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eurjchem-1713	368	200	;	;	PUNCT
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eurjchem-1713	368	204	;	;	PUNCT
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eurjchem-1713	368	212	m.	m.	NOUN
eurjchem-1713	368	213	;	;	PUNCT
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eurjchem-1713	368	216	j.	j.	PROPN
eurjchem-1713	368	217	e.	e.	PROPN
eurjchem-1713	368	218	;	;	PUNCT
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eurjchem-1713	368	220	,	,	PUNCT
eurjchem-1713	368	221	j.	j.	PROPN
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eurjchem-1713	368	223	;	;	PUNCT
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eurjchem-1713	368	225	,	,	PUNCT
eurjchem-1713	368	226	v.	v.	PROPN
eurjchem-1713	368	227	;	;	PUNCT
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eurjchem-1713	368	229	,	,	PUNCT
eurjchem-1713	368	230	c.	c.	PROPN
eurjchem-1713	368	231	;	;	PUNCT
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eurjchem-1713	368	233	,	,	PUNCT
eurjchem-1713	368	234	j.	j.	PROPN
eurjchem-1713	368	235	;	;	PUNCT
eurjchem-1713	368	236	gomperts	gomperts	PROPN
eurjchem-1713	368	237	,	,	PUNCT
eurjchem-1713	368	238	r.	r.	PROPN
eurjchem-1713	368	239	;	;	PUNCT
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eurjchem-1713	368	241	,	,	PUNCT
eurjchem-1713	368	242	r.	r.	PROPN
eurjchem-1713	368	243	e.	e.	PROPN
eurjchem-1713	368	244	;	;	PUNCT
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eurjchem-1713	368	246	,	,	PUNCT
eurjchem-1713	368	247	o.	o.	PROPN
eurjchem-1713	368	248	;	;	PUNCT
eurjchem-1713	368	249	a.	a.	PROPN
eurjchem-1713	368	250	j.	j.	PROPN
eurjchem-1713	368	251	austin	austin	PROPN
eurjchem-1713	368	252	,	,	PUNCT
eurjchem-1713	368	253	a.	a.	PROPN
eurjchem-1713	368	254	j.	j.	PROPN
eurjchem-1713	368	255	;	;	PUNCT
eurjchem-1713	368	256	cammi	cammi	PROPN
eurjchem-1713	368	257	,	,	PUNCT
eurjchem-1713	368	258	r.	r.	PROPN
eurjchem-1713	368	259	;	;	PUNCT
eurjchem-1713	368	260	pomelli	pomelli	PROPN
eurjchem-1713	368	261	,	,	PUNCT
eurjchem-1713	368	262	c.	c.	NOUN
eurjchem-1713	368	263	;	;	PUNCT
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eurjchem-1713	368	266	j.	j.	PROPN
eurjchem-1713	368	267	w.	w.	PROPN
eurjchem-1713	368	268	;	;	PUNCT
eurjchem-1713	368	269	martin	martin	PROPN
eurjchem-1713	368	270	,	,	PUNCT
eurjchem-1713	368	271	r.	r.	PROPN
eurjchem-1713	368	272	l.	l.	PROPN
eurjchem-1713	368	273	;	;	PUNCT
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eurjchem-1713	368	275	,	,	PUNCT
eurjchem-1713	368	276	k.	k.	PROPN
eurjchem-1713	368	277	;	;	PUNCT
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eurjchem-1713	368	279	,	,	PUNCT
eurjchem-1713	368	280	v.	v.	ADP
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eurjchem-1713	368	282	;	;	PUNCT
eurjchem-1713	368	283	voth	voth	PROPN
eurjchem-1713	368	284	,	,	PUNCT
eurjchem-1713	368	285	g.	g.	PROPN
eurjchem-1713	368	286	a.	a.	PROPN
eurjchem-1713	368	287	;	;	PUNCT
eurjchem-1713	368	288	salvador	salvador	PROPN
eurjchem-1713	368	289	,	,	PUNCT
eurjchem-1713	368	290	p.	p.	PROPN
eurjchem-1713	368	291	;	;	PUNCT
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eurjchem-1713	368	293	,	,	PUNCT
eurjchem-1713	368	294	j.	j.	PROPN
eurjchem-1713	368	295	j.	j.	PROPN
eurjchem-1713	368	296	;	;	PUNCT
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eurjchem-1713	368	298	,	,	PUNCT
eurjchem-1713	368	299	s.	s.	PROPN
eurjchem-1713	368	300	;	;	PUNCT
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eurjchem-1713	368	302	,	,	PUNCT
eurjchem-1713	368	303	a.	a.	PROPN
eurjchem-1713	368	304	d.	d.	PROPN
eurjchem-1713	368	305	;	;	PUNCT
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eurjchem-1713	368	307	,	,	PUNCT
eurjchem-1713	368	308	o.	o.	PROPN
eurjchem-1713	368	309	;	;	PUNCT
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eurjchem-1713	368	311	,	,	PUNCT
eurjchem-1713	368	312	j.	j.	PROPN
eurjchem-1713	368	313	b.	b.	PROPN
eurjchem-1713	368	314	;	;	PUNCT
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eurjchem-1713	368	316	,	,	PUNCT
eurjchem-1713	368	317	j.	j.	PROPN
eurjchem-1713	368	318	v.	v.	PROPN
eurjchem-1713	368	319	;	;	PUNCT
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eurjchem-1713	368	321	,	,	PUNCT
eurjchem-1713	368	322	j.	j.	PROPN
eurjchem-1713	368	323	;	;	PUNCT
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eurjchem-1713	368	325	,	,	PUNCT
eurjchem-1713	368	326	d.	d.	PROPN
eurjchem-1713	368	327	j.	j.	PROPN
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eurjchem-1713	368	329	,	,	PUNCT
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eurjchem-1713	368	331	.	.	PROPN
eurjchem-1713	368	332	;	;	PUNCT
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eurjchem-1713	368	335	,	,	PUNCT
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eurjchem-1713	368	337	a.	a.	NOUN
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eurjchem-1713	368	339	,	,	PUNCT
eurjchem-1713	368	340	wallingford	wallingford	PROPN
eurjchem-1713	368	341	ct	ct	PROPN
eurjchem-1713	368	342	,	,	PUNCT
eurjchem-1713	368	343	2009	2009	NUM
eurjchem-1713	368	344	.	.	PUNCT
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eurjchem-1713	369	2	27	27	NUM
eurjchem-1713	369	3	]	]	PUNCT
eurjchem-1713	369	4	.	.	PUNCT
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eurjchem-1713	370	2	,	,	PUNCT
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eurjchem-1713	370	4	d.	d.	PROPN
eurjchem-1713	370	5	j.	j.	PROPN
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eurjchem-1713	370	7	.	.	PUNCT
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eurjchem-1713	371	2	.	.	PUNCT
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eurjchem-1713	372	2	,	,	PUNCT
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eurjchem-1713	372	4	,	,	PUNCT
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eurjchem-1713	372	8	.	.	PUNCT
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eurjchem-1713	373	2	28	28	NUM
eurjchem-1713	373	3	]	]	PUNCT
eurjchem-1713	373	4	.	.	PUNCT
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eurjchem-1713	374	2	,	,	PUNCT
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eurjchem-1713	374	4	;	;	PUNCT
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eurjchem-1713	374	6	,	,	PUNCT
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eurjchem-1713	374	8	;	;	PUNCT
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eurjchem-1713	375	2	.	.	PROPN
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eurjchem-1713	376	3	,	,	PUNCT
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eurjchem-1713	376	5	,	,	PUNCT
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eurjchem-1713	377	3	]	]	PUNCT
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eurjchem-1713	377	6	,	,	PUNCT
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eurjchem-1713	377	8	;	;	PUNCT
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eurjchem-1713	378	2	.	.	PROPN
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eurjchem-1713	378	4	,	,	PUNCT
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eurjchem-1713	379	9	;	;	PUNCT
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eurjchem-1713	380	2	.	.	PUNCT
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eurjchem-1713	381	2	.	.	PUNCT
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eurjchem-1713	386	2	,	,	PUNCT
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eurjchem-1713	391	2	.	.	PUNCT
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eurjchem-1713	392	2	,	,	PUNCT
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eurjchem-1713	394	22	j.	j.	PROPN
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eurjchem-1713	394	24	.	.	PUNCT
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eurjchem-1713	395	2	.	.	PUNCT
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eurjchem-1713	396	2	.	.	PUNCT
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eurjchem-1713	397	2	,	,	PUNCT
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eurjchem-1713	397	4	,	,	PUNCT
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eurjchem-1713	397	6	-	-	SYM
eurjchem-1713	397	7	952	952	NUM
eurjchem-1713	397	8	.	.	PUNCT
eurjchem-1713	398	1	[	[	X
eurjchem-1713	398	2	35	35	NUM
eurjchem-1713	398	3	]	]	PUNCT
eurjchem-1713	398	4	.	.	PUNCT
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eurjchem-1713	399	2	,	,	PUNCT
eurjchem-1713	399	3	e.	e.	PROPN
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eurjchem-1713	399	5	;	;	PUNCT
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eurjchem-1713	399	7	,	,	PUNCT
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eurjchem-1713	399	10	;	;	PUNCT
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eurjchem-1713	399	12	,	,	PUNCT
eurjchem-1713	399	13	a.	a.	PROPN
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eurjchem-1713	399	15	;	;	PUNCT
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eurjchem-1713	399	20	;	;	PUNCT
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eurjchem-1713	399	22	,	,	PUNCT
eurjchem-1713	399	23	j.	j.	PROPN
eurjchem-1713	399	24	a.	a.	PROPN
eurjchem-1713	399	25	;	;	PUNCT
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eurjchem-1713	399	30	;	;	PUNCT
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eurjchem-1713	399	35	.	.	PUNCT
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eurjchem-1713	400	2	.	.	PUNCT
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eurjchem-1713	401	3	;	;	PUNCT
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eurjchem-1713	401	13	.	.	PUNCT
eurjchem-1713	402	1	[	[	X
eurjchem-1713	402	2	36	36	NUM
eurjchem-1713	402	3	]	]	PUNCT
eurjchem-1713	402	4	.	.	PUNCT
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eurjchem-1713	402	6	,	,	PUNCT
eurjchem-1713	402	7	r.	r.	PROPN
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eurjchem-1713	402	9	.	.	PUNCT
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eurjchem-1713	403	2	.	.	PROPN
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eurjchem-1713	403	4	,	,	PUNCT
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eurjchem-1713	403	6	,	,	PUNCT
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eurjchem-1713	403	8	-	-	SYM
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eurjchem-1713	403	10	.	.	PUNCT
eurjchem-1713	404	1	[	[	X
eurjchem-1713	404	2	37	37	NUM
eurjchem-1713	404	3	]	]	SYM
eurjchem-1713	404	4	.	.	PUNCT
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eurjchem-1713	405	2	,	,	PUNCT
eurjchem-1713	405	3	f.	f.	PROPN
eurjchem-1713	405	4	j.	j.	PROPN
eurjchem-1713	405	5	phys	phys	PROPN
eurjchem-1713	405	6	.	.	PUNCT
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eurjchem-1713	406	3	,	,	PUNCT
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eurjchem-1713	406	5	,	,	PUNCT
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eurjchem-1713	406	7	-	-	SYM
eurjchem-1713	406	8	409	409	NUM
eurjchem-1713	406	9	.	.	PUNCT
eurjchem-1713	407	1	[	[	X
eurjchem-1713	407	2	38	38	NUM
eurjchem-1713	407	3	]	]	PUNCT
eurjchem-1713	407	4	.	.	PUNCT
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eurjchem-1713	407	6	,	,	PUNCT
eurjchem-1713	407	7	r.	r.	PROPN
eurjchem-1713	407	8	;	;	PUNCT
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eurjchem-1713	407	10	,	,	PUNCT
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eurjchem-1713	407	12	;	;	PUNCT
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eurjchem-1713	407	15	s.	s.	PROPN
eurjchem-1713	407	16	f.	f.	PROPN
eurjchem-1713	407	17	;	;	PUNCT
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eurjchem-1713	407	19	,	,	PUNCT
eurjchem-1713	407	20	h.	h.	PROPN
eurjchem-1713	407	21	;	;	PUNCT
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eurjchem-1713	407	23	,	,	PUNCT
eurjchem-1713	407	24	a.	a.	PROPN
eurjchem-1713	407	25	r.	r.	PROPN
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eurjchem-1713	407	27	.	.	PUNCT
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eurjchem-1713	408	2	a	a	DET
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eurjchem-1713	408	4	,	,	PUNCT
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eurjchem-1713	408	6	,	,	PUNCT
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eurjchem-1713	408	8	-	-	SYM
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eurjchem-1713	408	10	.	.	PUNCT
eurjchem-1713	409	1	[	[	X
eurjchem-1713	409	2	39	39	NUM
eurjchem-1713	409	3	]	]	PUNCT
eurjchem-1713	409	4	.	.	PUNCT
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eurjchem-1713	410	2	,	,	PUNCT
eurjchem-1713	410	3	s.	s.	PROPN
eurjchem-1713	410	4	f.	f.	PROPN
eurjchem-1713	410	5	;	;	PUNCT
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eurjchem-1713	410	7	,	,	PUNCT
eurjchem-1713	410	8	m.	m.	NOUN
eurjchem-1713	410	9	;	;	PUNCT
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eurjchem-1713	410	12	a.	a.	PROPN
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eurjchem-1713	410	14	;	;	PUNCT
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eurjchem-1713	410	16	,	,	PUNCT
eurjchem-1713	410	17	h.	h.	PROPN
eurjchem-1713	410	18	;	;	PUNCT
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eurjchem-1713	410	20	,	,	PUNCT
eurjchem-1713	410	21	y.	y.	PROPN
eurjchem-1713	410	22	a.	a.	PROPN
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eurjchem-1713	410	24	.	.	PUNCT
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eurjchem-1713	411	2	a	a	DET
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eurjchem-1713	411	4	,	,	PUNCT
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eurjchem-1713	411	6	,	,	PUNCT
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eurjchem-1713	411	8	-	-	SYM
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eurjchem-1713	411	10	.	.	PUNCT
eurjchem-1713	412	1	[	[	X
eurjchem-1713	412	2	40	40	NUM
eurjchem-1713	412	3	]	]	PUNCT
eurjchem-1713	412	4	.	.	PUNCT
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eurjchem-1713	413	2	,	,	PUNCT
eurjchem-1713	413	3	j.	j.	PROPN
eurjchem-1713	413	4	c.	c.	PROPN
eurjchem-1713	413	5	;	;	PUNCT
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eurjchem-1713	413	7	,	,	PUNCT
eurjchem-1713	413	8	c.	c.	PROPN
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eurjchem-1713	413	10	;	;	PUNCT
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eurjchem-1713	413	12	,	,	PUNCT
eurjchem-1713	413	13	g.	g.	PROPN
eurjchem-1713	413	14	;	;	PUNCT
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eurjchem-1713	413	16	,	,	PUNCT
eurjchem-1713	413	17	w.	w.	PROPN
eurjchem-1713	413	18	d.	d.	PROPN
eurjchem-1713	413	19	;	;	PUNCT
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eurjchem-1713	413	21	,	,	PUNCT
eurjchem-1713	413	22	s.	s.	PROPN
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eurjchem-1713	413	24	;	;	PUNCT
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eurjchem-1713	413	26	,	,	PUNCT
eurjchem-1713	413	27	a.	a.	PROPN
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eurjchem-1713	413	29	j.	j.	PROPN
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eurjchem-1713	413	32	.	.	PUNCT
eurjchem-1713	414	1	2006	2006	NUM
eurjchem-1713	414	2	,	,	PUNCT
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eurjchem-1713	414	4	,	,	PUNCT
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eurjchem-1713	414	6	-	-	SYM
eurjchem-1713	414	7	786	786	NUM
eurjchem-1713	414	8	.	.	PUNCT
eurjchem-1713	415	1	[	[	X
eurjchem-1713	415	2	41	41	NUM
eurjchem-1713	415	3	]	]	PUNCT
eurjchem-1713	415	4	.	.	PUNCT
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eurjchem-1713	416	2	,	,	PUNCT
eurjchem-1713	416	3	a.	a.	PROPN
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eurjchem-1713	416	5	;	;	PUNCT
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eurjchem-1713	416	7	,	,	PUNCT
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eurjchem-1713	416	10	j.	j.	PROPN
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eurjchem-1713	416	12	.	.	PUNCT
eurjchem-1713	417	1	chem	chem	PROPN
eurjchem-1713	417	2	.	.	PUNCT
eurjchem-1713	418	1	a	a	DET
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eurjchem-1713	418	3	,	,	PUNCT
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eurjchem-1713	418	5	,	,	PUNCT
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eurjchem-1713	418	7	-	-	SYM
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eurjchem-1713	418	9	.	.	PUNCT
eurjchem-1713	419	1	[	[	X
eurjchem-1713	419	2	42	42	NUM
eurjchem-1713	419	3	]	]	PUNCT
eurjchem-1713	419	4	.	.	PUNCT
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eurjchem-1713	420	2	,	,	PUNCT
eurjchem-1713	420	3	e.	e.	PROPN
eurjchem-1713	420	4	;	;	PUNCT
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eurjchem-1713	420	6	,	,	PUNCT
eurjchem-1713	420	7	e.	e.	PROPN
eurjchem-1713	420	8	;	;	PUNCT
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eurjchem-1713	420	10	,	,	PUNCT
eurjchem-1713	420	11	c.	c.	PROPN
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eurjchem-1713	420	13	.	.	PUNCT
eurjchem-1713	421	1	phys	phy	NOUN
eurjchem-1713	421	2	.	.	PUNCT
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eurjchem-1713	422	2	.	.	PUNCT
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eurjchem-1713	423	2	,	,	PUNCT
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eurjchem-1713	423	4	,	,	PUNCT
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eurjchem-1713	423	6	.	.	PUNCT
eurjchem-1713	424	1	[	[	X
eurjchem-1713	424	2	43	43	NUM
eurjchem-1713	424	3	]	]	PUNCT
eurjchem-1713	424	4	.	.	PUNCT
eurjchem-1713	425	1	afzali	afzali	PROPN
eurjchem-1713	425	2	,	,	PUNCT
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eurjchem-1713	425	4	;	;	PUNCT
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eurjchem-1713	425	8	;	;	PUNCT
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eurjchem-1713	425	10	,	,	PUNCT
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eurjchem-1713	425	13	;	;	PUNCT
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eurjchem-1713	425	22	.	.	PUNCT
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eurjchem-1713	426	2	,	,	PUNCT
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eurjchem-1713	426	4	,	,	PUNCT
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eurjchem-1713	426	6	-	-	SYM
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eurjchem-1713	426	8	.	.	PUNCT
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eurjchem-1713	427	3	]	]	PUNCT
eurjchem-1713	427	4	.	.	PUNCT
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eurjchem-1713	428	4	;	;	PUNCT
eurjchem-1713	428	5	tayyari	tayyari	PROPN
eurjchem-1713	428	6	,	,	PUNCT
eurjchem-1713	428	7	s.	s.	PROPN
eurjchem-1713	428	8	f.	f.	PROPN
eurjchem-1713	428	9	;	;	PUNCT
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eurjchem-1713	428	14	;	;	PUNCT
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eurjchem-1713	428	17	h.	h.	PROPN
eurjchem-1713	428	18	;	;	PUNCT
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eurjchem-1713	428	20	,	,	PUNCT
eurjchem-1713	428	21	s.	s.	PROPN
eurjchem-1713	428	22	;	;	PUNCT
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eurjchem-1713	428	24	,	,	PUNCT
eurjchem-1713	428	25	r.	r.	PROPN
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eurjchem-1713	428	27	j.	j.	PROPN
eurjchem-1713	428	28	mol	mol	PROPN
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eurjchem-1713	428	30	struct	struct	NOUN
eurjchem-1713	428	31	.	.	PUNCT
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eurjchem-1713	429	2	,	,	PUNCT
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eurjchem-1713	429	4	,	,	PUNCT
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eurjchem-1713	429	6	-	-	SYM
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eurjchem-1713	430	2	45	45	NUM
eurjchem-1713	430	3	]	]	PUNCT
eurjchem-1713	430	4	.	.	PUNCT
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eurjchem-1713	431	3	s.	s.	PROPN
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eurjchem-1713	431	5	;	;	PUNCT
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eurjchem-1713	431	10	;	;	PUNCT
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eurjchem-1713	431	14	;	;	PUNCT
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eurjchem-1713	431	19	;	;	PUNCT
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eurjchem-1713	431	23	;	;	PUNCT
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eurjchem-1713	431	25	,	,	PUNCT
eurjchem-1713	431	26	s.	s.	PROPN
eurjchem-1713	431	27	;	;	PUNCT
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eurjchem-1713	431	35	.	.	PUNCT
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eurjchem-1713	432	2	,	,	PUNCT
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eurjchem-1713	432	4	,	,	PUNCT
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eurjchem-1713	432	6	-	-	SYM
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eurjchem-1713	433	3	]	]	PUNCT
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eurjchem-1713	436	1	[	[	X
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eurjchem-1713	436	3	]	]	PUNCT
eurjchem-1713	436	4	.	.	PUNCT
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eurjchem-1713	437	4	;	;	PUNCT
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eurjchem-1713	437	8	;	;	PUNCT
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eurjchem-1713	437	25	;	;	PUNCT
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eurjchem-1713	438	3	]	]	PUNCT
eurjchem-1713	438	4	.	.	PUNCT
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eurjchem-1713	439	5	;	;	PUNCT
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eurjchem-1713	439	7	,	,	PUNCT
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eurjchem-1713	439	11	weinhold	weinhold	PROPN
eurjchem-1713	439	12	,	,	PUNCT
eurjchem-1713	439	13	f.	f.	PROPN
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eurjchem-1713	439	15	.	.	PUNCT
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eurjchem-1713	440	2	.	.	PROPN
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eurjchem-1713	440	4	,	,	PUNCT
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eurjchem-1713	440	8	-	-	SYM
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eurjchem-1713	440	10	.	.	NOUN
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eurjchem-1713	441	2	–	–	PUNCT
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eurjchem-1713	441	7	–	–	PUNCT
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eurjchem-1713	441	34	(	(	PUNCT
eurjchem-1713	441	35	3	3	NUM
eurjchem-1713	441	36	)	)	PUNCT
eurjchem-1713	441	37	(	(	PUNCT
eurjchem-1713	441	38	2018	2018	NUM
eurjchem-1713	441	39	)	)	PUNCT
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eurjchem-1713	441	41	-	-	SYM
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eurjchem-1713	442	1	[	[	X
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eurjchem-1713	442	3	]	]	PUNCT
eurjchem-1713	442	4	.	.	PUNCT
eurjchem-1713	443	1	wiberg	wiberg	PROPN
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eurjchem-1713	443	7	,	,	PUNCT
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eurjchem-1713	443	9	,	,	PUNCT
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eurjchem-1713	443	13	.	.	PUNCT
eurjchem-1713	444	1	[	[	X
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eurjchem-1713	444	3	]	]	PUNCT
eurjchem-1713	444	4	.	.	PUNCT
eurjchem-1713	445	1	raj	raj	PROPN
eurjchem-1713	445	2	,	,	PUNCT
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eurjchem-1713	445	5	;	;	PUNCT
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eurjchem-1713	445	9	;	;	PUNCT
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eurjchem-1713	445	13	;	;	PUNCT
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eurjchem-1713	445	18	.	.	PUNCT
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eurjchem-1713	446	4	,	,	PUNCT
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eurjchem-1713	446	6	,	,	PUNCT
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eurjchem-1713	446	8	-	-	SYM
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eurjchem-1713	446	10	.	.	PUNCT
eurjchem-1713	447	1	[	[	X
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eurjchem-1713	447	3	]	]	PUNCT
eurjchem-1713	447	4	.	.	PUNCT
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eurjchem-1713	448	2	,	,	PUNCT
eurjchem-1713	448	3	b.	b.	PROPN
eurjchem-1713	448	4	;	;	PUNCT
eurjchem-1713	448	5	albayrak	albayrak	PROPN
eurjchem-1713	448	6	,	,	PUNCT
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eurjchem-1713	448	9	.	.	PUNCT
eurjchem-1713	449	1	acta	acta	PROPN
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eurjchem-1713	449	8	-	-	SYM
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eurjchem-1713	449	10	.	.	PUNCT
eurjchem-1713	450	1	[	[	X
eurjchem-1713	450	2	52	52	NUM
eurjchem-1713	450	3	]	]	PUNCT
eurjchem-1713	450	4	.	.	PUNCT
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eurjchem-1713	451	2	,	,	PUNCT
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eurjchem-1713	451	4	;	;	PUNCT
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eurjchem-1713	451	6	,	,	PUNCT
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eurjchem-1713	451	8	;	;	PUNCT
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eurjchem-1713	451	10	,	,	PUNCT
eurjchem-1713	451	11	h.	h.	PROPN
eurjchem-1713	451	12	;	;	PUNCT
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eurjchem-1713	451	16	;	;	PUNCT
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eurjchem-1713	451	20	;	;	PUNCT
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eurjchem-1713	451	22	,	,	PUNCT
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eurjchem-1713	452	2	,	,	PUNCT
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eurjchem-1713	452	6	-	-	SYM
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eurjchem-1713	452	8	.	.	PUNCT
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eurjchem-1713	453	2	53	53	NUM
eurjchem-1713	453	3	]	]	PUNCT
eurjchem-1713	453	4	.	.	PUNCT
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eurjchem-1713	454	4	;	;	PUNCT
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eurjchem-1713	454	8	;	;	PUNCT
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eurjchem-1713	454	10	,	,	PUNCT
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eurjchem-1713	454	12	;	;	PUNCT
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eurjchem-1713	454	14	,	,	PUNCT
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eurjchem-1713	454	16	;	;	PUNCT
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eurjchem-1713	454	20	;	;	PUNCT
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eurjchem-1713	454	25	.	.	PUNCT
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eurjchem-1713	456	8	.	.	PUNCT
eurjchem-1713	457	1	[	[	X
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eurjchem-1713	457	3	]	]	SYM
eurjchem-1713	457	4	.	.	PUNCT
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eurjchem-1713	459	1	j.	j.	PROPN
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eurjchem-1713	459	3	.	.	PUNCT
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eurjchem-1713	460	2	,	,	PUNCT
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eurjchem-1713	460	6	-	-	SYM
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eurjchem-1713	461	3	]	]	PUNCT
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eurjchem-1713	461	8	;	;	PUNCT
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eurjchem-1713	461	13	;	;	PUNCT
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eurjchem-1713	462	3	.	.	PUNCT
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eurjchem-1713	463	2	,	,	PUNCT
eurjchem-1713	463	3	31(4	31(4	NUM
eurjchem-1713	463	4	)	)	PUNCT
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eurjchem-1713	463	7	-	-	SYM
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eurjchem-1713	463	9	.	.	PUNCT
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eurjchem-1713	464	2	©	©	PROPN
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eurjchem-1713	464	6	.	.	PUNCT
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eurjchem-1713	465	18	.	.	PUNCT
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eurjchem-1713	466	11	and	and	CCONJ
eurjchem-1713	466	12	incorporate	incorporate	VERB
eurjchem-1713	466	13	the	the	DET
eurjchem-1713	466	14	creative	creative	ADJ
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eurjchem-1713	466	17	-	-	PUNCT
eurjchem-1713	466	18	non	non	ADJ
eurjchem-1713	466	19	commercial	commercial	NOUN
eurjchem-1713	466	20	(	(	PUNCT
eurjchem-1713	466	21	cc	cc	NOUN
eurjchem-1713	466	22	by	by	ADP
eurjchem-1713	466	23	nc	nc	PROPN
eurjchem-1713	466	24	)	)	PUNCT
eurjchem-1713	466	25	(	(	PUNCT
eurjchem-1713	466	26	international	international	ADJ
eurjchem-1713	466	27	,	,	PUNCT
eurjchem-1713	466	28	v4.0	v4.0	NOUN
eurjchem-1713	466	29	)	)	PUNCT
eurjchem-1713	466	30	license	license	NOUN
eurjchem-1713	466	31	(	(	PUNCT
eurjchem-1713	466	32	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	NOUN
eurjchem-1713	466	33	)	)	PUNCT
eurjchem-1713	466	34	.	.	PUNCT
eurjchem-1713	467	1	by	by	ADP
eurjchem-1713	467	2	accessing	access	VERB
eurjchem-1713	467	3	the	the	DET
eurjchem-1713	467	4	work	work	NOUN
eurjchem-1713	467	5	,	,	PUNCT
eurjchem-1713	467	6	you	you	PRON
eurjchem-1713	467	7	hereby	hereby	ADV
eurjchem-1713	467	8	accept	accept	VERB
eurjchem-1713	467	9	the	the	DET
eurjchem-1713	467	10	terms	term	NOUN
eurjchem-1713	467	11	.	.	PUNCT
eurjchem-1713	468	1	this	this	PRON
eurjchem-1713	468	2	is	be	AUX
eurjchem-1713	468	3	an	an	DET
eurjchem-1713	468	4	open	open	ADJ
eurjchem-1713	468	5	access	access	NOUN
eurjchem-1713	468	6	article	article	NOUN
eurjchem-1713	468	7	distributed	distribute	VERB
eurjchem-1713	468	8	under	under	ADP
eurjchem-1713	468	9	the	the	DET
eurjchem-1713	468	10	terms	term	NOUN
eurjchem-1713	468	11	and	and	CCONJ
eurjchem-1713	468	12	conditions	condition	NOUN
eurjchem-1713	468	13	of	of	ADP
eurjchem-1713	468	14	the	the	DET
eurjchem-1713	468	15	cc	cc	PROPN
eurjchem-1713	468	16	by	by	ADP
eurjchem-1713	468	17	nc	nc	PROPN
eurjchem-1713	468	18	license	license	PROPN
eurjchem-1713	468	19	,	,	PUNCT
eurjchem-1713	468	20	which	which	PRON
eurjchem-1713	468	21	permits	permit	VERB
eurjchem-1713	468	22	unrestricted	unrestricted	ADJ
eurjchem-1713	468	23	non	non	ADJ
eurjchem-1713	468	24	-	-	ADJ
eurjchem-1713	468	25	commercial	commercial	ADJ
eurjchem-1713	468	26	use	use	NOUN
eurjchem-1713	468	27	,	,	PUNCT
eurjchem-1713	468	28	distribution	distribution	NOUN
eurjchem-1713	468	29	,	,	PUNCT
eurjchem-1713	468	30	and	and	CCONJ
eurjchem-1713	468	31	reproduction	reproduction	NOUN
eurjchem-1713	468	32	in	in	ADP
eurjchem-1713	468	33	any	any	DET
eurjchem-1713	468	34	medium	medium	NOUN
eurjchem-1713	468	35	,	,	PUNCT
eurjchem-1713	468	36	provided	provide	VERB
eurjchem-1713	468	37	the	the	DET
eurjchem-1713	468	38	original	original	ADJ
eurjchem-1713	468	39	work	work	NOUN
eurjchem-1713	468	40	is	be	AUX
eurjchem-1713	468	41	properly	properly	ADV
eurjchem-1713	468	42	cited	cite	VERB
eurjchem-1713	468	43	without	without	ADP
eurjchem-1713	468	44	any	any	DET
eurjchem-1713	468	45	further	further	ADJ
eurjchem-1713	468	46	permission	permission	NOUN
eurjchem-1713	468	47	from	from	ADP
eurjchem-1713	468	48	atlanta	atlanta	PROPN
eurjchem-1713	468	49	publishing	publishing	PROPN
eurjchem-1713	468	50	house	house	PROPN
eurjchem-1713	468	51	llc	llc	PROPN
eurjchem-1713	468	52	(	(	PUNCT
eurjchem-1713	468	53	european	european	PROPN
eurjchem-1713	468	54	journal	journal	PROPN
eurjchem-1713	468	55	of	of	ADP
eurjchem-1713	468	56	chemistry	chemistry	NOUN
eurjchem-1713	468	57	)	)	PUNCT
eurjchem-1713	468	58	.	.	PUNCT
eurjchem-1713	469	1	no	no	DET
eurjchem-1713	469	2	use	use	NOUN
eurjchem-1713	469	3	,	,	PUNCT
eurjchem-1713	469	4	distribution	distribution	NOUN
eurjchem-1713	469	5	or	or	CCONJ
eurjchem-1713	469	6	reproduction	reproduction	NOUN
eurjchem-1713	469	7	is	be	AUX
eurjchem-1713	469	8	permitted	permit	VERB
eurjchem-1713	469	9	which	which	PRON
eurjchem-1713	469	10	does	do	AUX
eurjchem-1713	469	11	not	not	PART
eurjchem-1713	469	12	comply	comply	VERB
eurjchem-1713	469	13	with	with	ADP
eurjchem-1713	469	14	these	these	DET
eurjchem-1713	469	15	terms	term	NOUN
eurjchem-1713	469	16	.	.	PUNCT
eurjchem-1713	470	1	permissions	permission	NOUN
eurjchem-1713	470	2	for	for	ADP
eurjchem-1713	470	3	commercial	commercial	ADJ
eurjchem-1713	470	4	use	use	NOUN
eurjchem-1713	470	5	of	of	ADP
eurjchem-1713	470	6	this	this	DET
eurjchem-1713	470	7	work	work	NOUN
eurjchem-1713	470	8	beyond	beyond	ADP
eurjchem-1713	470	9	the	the	DET
eurjchem-1713	470	10	scope	scope	NOUN
eurjchem-1713	470	11	of	of	ADP
eurjchem-1713	470	12	the	the	DET
eurjchem-1713	470	13	license	license	NOUN
eurjchem-1713	470	14	(	(	PUNCT
eurjchem-1713	470	15	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-1713	470	16	)	)	PUNCT
eurjchem-1713	470	17	are	be	AUX
eurjchem-1713	470	18	administered	administer	VERB
eurjchem-1713	470	19	by	by	ADP
eurjchem-1713	470	20	atlanta	atlanta	PROPN
eurjchem-1713	470	21	publishing	publishing	PROPN
eurjchem-1713	470	22	house	house	PROPN
eurjchem-1713	470	23	llc	llc	PROPN
eurjchem-1713	470	24	(	(	PUNCT
eurjchem-1713	470	25	european	european	PROPN
eurjchem-1713	470	26	journal	journal	PROPN
eurjchem-1713	470	27	of	of	ADP
eurjchem-1713	470	28	chemistry	chemistry	NOUN
eurjchem-1713	470	29	)	)	PUNCT
eurjchem-1713	470	30	.	.	PUNCT
eurjchem-1713	471	1	2018	2018	NUM
eurjchem-1713	471	2	–	–	PUNCT
eurjchem-1713	471	3	european	european	ADJ
eurjchem-1713	471	4	journal	journal	NOUN
eurjchem-1713	471	5	of	of	ADP
eurjchem-1713	471	6	chemistry	chemistry	NOUN
eurjchem-1713	471	7	–	–	PUNCT
eurjchem-1713	471	8	cc	cc	NOUN
eurjchem-1713	471	9	by	by	ADP
eurjchem-1713	471	10	nc	nc	PROPN
eurjchem-1713	471	11	–	–	PUNCT
eurjchem-1713	471	12	doi	doi	NOUN
eurjchem-1713	471	13	:	:	PUNCT
eurjchem-1713	471	14	10.5155	10.5155	NUM
eurjchem-1713	471	15	/	/	SYM
eurjchem-1713	471	16	eurjchem.9.3.213	eurjchem.9.3.213	PROPN
eurjchem-1713	471	17	-	-	SYM
eurjchem-1713	471	18	221.1713	221.1713	NUM
eurjchem-1713	471	19	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-1713	471	20	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-1713	471	21	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-1713	471	22	1	1	NUM
eurjchem-1713	471	23	.	.	PUNCT
eurjchem-1713	471	24	introduction	introduction	NOUN
eurjchem-1713	471	25	2	2	NUM
eurjchem-1713	471	26	.	.	PUNCT
eurjchem-1713	471	27	method	method	NOUN
eurjchem-1713	471	28	of	of	ADP
eurjchem-1713	471	29	calculations	calculation	NOUN
eurjchem-1713	471	30	3	3	NUM
eurjchem-1713	471	31	.	.	NOUN
eurjchem-1713	471	32	results	result	NOUN
eurjchem-1713	471	33	and	and	CCONJ
eurjchem-1713	471	34	discussion	discussion	NOUN
eurjchem-1713	471	35	3.1	3.1	NUM
eurjchem-1713	471	36	.	.	PUNCT
eurjchem-1713	472	1	tautomeric	tautomeric	NOUN
eurjchem-1713	472	2	and	and	CCONJ
eurjchem-1713	472	3	ihb	ihb	PRON
eurjchem-1713	472	4	strength	strength	NOUN
eurjchem-1713	472	5	3.2	3.2	NUM
eurjchem-1713	472	6	.	.	PUNCT
eurjchem-1713	473	1	the	the	DET
eurjchem-1713	473	2	correlations	correlation	NOUN
eurjchem-1713	473	3	of	of	ADP
eurjchem-1713	473	4	some	some	DET
eurjchem-1713	473	5	calculated	calculate	VERB
eurjchem-1713	473	6	and	and	CCONJ
eurjchem-1713	473	7	observed	observed	ADJ
eurjchem-1713	473	8	parameters	parameter	NOUN
eurjchem-1713	473	9	with	with	ADP
eurjchem-1713	473	10	the	the	DET
eurjchem-1713	473	11	ihb	ihb	PRON
eurjchem-1713	473	12	strength	strength	NOUN
eurjchem-1713	473	13	and	and	CCONJ
eurjchem-1713	473	14	para	para	PROPN
eurjchem-1713	473	15	hammett	hammett	PROPN
eurjchem-1713	473	16	substituent	substituent	PROPN
eurjchem-1713	473	17	constant	constant	ADJ
eurjchem-1713	473	18	,	,	PUNCT
eurjchem-1713	473	19	σp	σp	PROPN
eurjchem-1713	473	20	3.2.1	3.2.1	NUM
eurjchem-1713	473	21	.	.	PUNCT
eurjchem-1713	474	1	correlation	correlation	NOUN
eurjchem-1713	474	2	between	between	ADP
eurjchem-1713	474	3	the	the	DET
eurjchem-1713	474	4	chemical	chemical	ADJ
eurjchem-1713	474	5	shifts	shift	NOUN
eurjchem-1713	474	6	of	of	ADP
eurjchem-1713	474	7	enolic	enolic	ADJ
eurjchem-1713	474	8	proton	proton	NOUN
eurjchem-1713	474	9	with	with	ADP
eurjchem-1713	474	10	σp	σp	PROPN
eurjchem-1713	474	11	3.2.2	3.2.2	NUM
eurjchem-1713	474	12	.	.	PUNCT
eurjchem-1713	475	1	correlation	correlation	NOUN
eurjchem-1713	475	2	between	between	ADP
eurjchem-1713	475	3	the	the	DET
eurjchem-1713	475	4	positions	position	NOUN
eurjchem-1713	475	5	of	of	ADP
eurjchem-1713	475	6	ir	ir	PROPN
eurjchem-1713	475	7	bands	band	NOUN
eurjchem-1713	475	8	related	relate	VERB
eurjchem-1713	475	9	to	to	ADP
eurjchem-1713	475	10	ihb	ihb	DET
eurjchem-1713	475	11	strength	strength	NOUN
eurjchem-1713	475	12	with	with	ADP
eurjchem-1713	475	13	σp	σp	PROPN
eurjchem-1713	475	14	3.2.3	3.2.3	NUM
eurjchem-1713	475	15	.	.	PUNCT
eurjchem-1713	476	1	correlation	correlation	NOUN
eurjchem-1713	476	2	between	between	ADP
eurjchem-1713	476	3	σp	σp	NOUN
eurjchem-1713	476	4	and	and	CCONJ
eurjchem-1713	476	5	geometrical	geometrical	ADJ
eurjchem-1713	476	6	parameters	parameter	NOUN
eurjchem-1713	476	7	related	relate	VERB
eurjchem-1713	476	8	to	to	ADP
eurjchem-1713	476	9	ihb	ihb	PRON
eurjchem-1713	476	10	strength	strength	NOUN
eurjchem-1713	476	11	3.2.4	3.2.4	NUM
eurjchem-1713	476	12	.	.	PUNCT
eurjchem-1713	477	1	correlation	correlation	NOUN
eurjchem-1713	477	2	between	between	ADP
eurjchem-1713	477	3	σp	σp	NOUN
eurjchem-1713	477	4	and	and	CCONJ
eurjchem-1713	477	5	aim	aim	VERB
eurjchem-1713	477	6	results	result	NOUN
eurjchem-1713	477	7	related	relate	VERB
eurjchem-1713	477	8	to	to	ADP
eurjchem-1713	477	9	ihb	ihb	DET
eurjchem-1713	477	10	strength	strength	NOUN
eurjchem-1713	477	11	3.2.5	3.2.5	NUM
eurjchem-1713	477	12	.	.	PUNCT
eurjchem-1713	478	1	correlation	correlation	NOUN
eurjchem-1713	478	2	between	between	ADP
eurjchem-1713	478	3	σp	σp	PROPN
eurjchem-1713	478	4	and	and	CCONJ
eurjchem-1713	478	5	nbo	nbo	PROPN
eurjchem-1713	478	6	results	result	NOUN
eurjchem-1713	478	7	related	relate	VERB
eurjchem-1713	478	8	to	to	ADP
eurjchem-1713	478	9	ihbs	ihbs	ADJ
eurjchem-1713	478	10	3.2.6	3.2.6	NUM
eurjchem-1713	478	11	.	.	PUNCT
eurjchem-1713	479	1	correlation	correlation	NOUN
eurjchem-1713	479	2	between	between	ADP
eurjchem-1713	479	3	σp	σp	NOUN
eurjchem-1713	479	4	and	and	CCONJ
eurjchem-1713	479	5	the	the	DET
eurjchem-1713	479	6	energy	energy	NOUN
eurjchem-1713	479	7	difference	difference	NOUN
eurjchem-1713	479	8	between	between	ADP
eurjchem-1713	479	9	the	the	DET
eurjchem-1713	479	10	orbitals	orbital	NOUN
eurjchem-1713	479	11	of	of	ADP
eurjchem-1713	479	12	homo	homo	NOUN
eurjchem-1713	479	13	and	and	CCONJ
eurjchem-1713	479	14	lumo	lumo	NOUN
eurjchem-1713	479	15	4	4	NUM
eurjchem-1713	479	16	.	.	PUNCT
eurjchem-1713	480	1	conclusion	conclusion	NOUN
eurjchem-1713	480	2	acknowledgment	acknowledgment	NOUN
eurjchem-1713	480	3	supporting	support	VERB
eurjchem-1713	480	4	information	information	NOUN
eurjchem-1713	480	5	disclosure	disclosure	NOUN
eurjchem-1713	480	6	statement	statement	NOUN
eurjchem-1713	480	7	orcid	orcid	PROPN
eurjchem-1713	480	8	references	reference	NOUN
eurjchem-1713	480	9	printfield10	printfield10	NOUN
eurjchem-1713	480	10	:	:	PUNCT
eurjchem-1713	480	11	printfield11	printfield11	NOUN
eurjchem-1713	480	12	:	:	PUNCT
eurjchem-1713	480	13	printfield12	printfield12	PROPN
eurjchem-1713	480	14	:	:	PUNCT
eurjchem-1713	480	15	printfield13	printfield13	VERB
eurjchem-1713	480	16	:	:	PUNCT
eurjchem-1713	480	17	printfield14	printfield14	NOUN
eurjchem-1713	480	18	:	:	PUNCT
eurjchem-1713	480	19	printfield15	printfield15	NOUN
eurjchem-1713	480	20	:	:	PUNCT
eurjchem-1713	480	21	printfield16	printfield16	ADJ
eurjchem-1713	480	22	:	:	PUNCT
eurjchem-1713	480	23	printfield17	printfield17	NOUN
eurjchem-1713	480	24	:	:	PUNCT
eurjchem-1713	480	25	printfield18	printfield18	NOUN
eurjchem-1713	480	26	:	:	PUNCT
eurjchem-1713	480	27	printfield20	printfield20	PROPN
eurjchem-1713	480	28	:	:	PUNCT
eurjchem-1713	481	1	printfield21	printfield21	ADJ
eurjchem-1713	481	2	:	:	PUNCT
eurjchem-1713	481	3	printfield22	printfield22	NOUN
eurjchem-1713	481	4	:	:	PUNCT
eurjchem-1713	481	5	printfield23	printfield23	NOUN
eurjchem-1713	481	6	:	:	PUNCT
eurjchem-1713	481	7	printfield24	printfield24	NOUN
eurjchem-1713	481	8	:	:	PUNCT
eurjchem-1713	481	9	printfield25	printfield25	NOUN
eurjchem-1713	481	10	:	:	PUNCT
eurjchem-1713	481	11	printfield26	printfield26	ADJ
eurjchem-1713	481	12	:	:	PUNCT
eurjchem-1713	481	13	printfield27	printfield27	NOUN
eurjchem-1713	481	14	:	:	PUNCT
eurjchem-1713	481	15	printfield28	printfield28	NOUN
eurjchem-1713	481	16	:	:	PUNCT