id	sid	tid	token	lemma	pos
eurjchem-286	1	1	untitled	untitle	VERB
eurjchem-286	1	2	european	european	PROPN
eurjchem-286	1	3	journal	journal	PROPN
eurjchem-286	1	4	of	of	ADP
eurjchem-286	1	5	chemistry	chemistry	NOUN
eurjchem-286	1	6	2	2	NUM
eurjchem-286	1	7	(	(	PUNCT
eurjchem-286	1	8	1	1	NUM
eurjchem-286	1	9	)	)	PUNCT
eurjchem-286	1	10	(	(	PUNCT
eurjchem-286	1	11	2011	2011	NUM
eurjchem-286	1	12	)	)	PUNCT
eurjchem-286	1	13	70‐76	70‐76	NOUN
eurjchem-286	1	14	european	european	PROPN
eurjchem-286	1	15	journal	journal	PROPN
eurjchem-286	1	16	of	of	ADP
eurjchem-286	1	17	chemistry	chemistry	NOUN
eurjchem-286	1	18	issn	issn	PROPN
eurjchem-286	1	19	2153‐2249	2153‐2249	PROPN
eurjchem-286	1	20	(	(	PUNCT
eurjchem-286	1	21	print	print	NOUN
eurjchem-286	1	22	)	)	PUNCT
eurjchem-286	1	23	/	/	SYM
eurjchem-286	1	24	issn	issn	PROPN
eurjchem-286	1	25	2153‐2257	2153‐2257	NUM
eurjchem-286	1	26	(	(	PUNCT
eurjchem-286	1	27	online	online	ADJ
eurjchem-286	1	28	)	)	PUNCT
eurjchem-286	1	29			NOUN
eurjchem-286	1	30	2011	2011	NUM
eurjchem-286	1	31	eurjchem	eurjchem	PROPN
eurjchem-286	1	32	doi:10.5155	doi:10.5155	PROPN
eurjchem-286	1	33	/	/	SYM
eurjchem-286	1	34	eurjchem.2.1.70‐76.286	eurjchem.2.1.70‐76.286	ADJ
eurjchem-286	1	35	european	european	ADJ
eurjchem-286	1	36	journal	journal	NOUN
eurjchem-286	1	37	of	of	ADP
eurjchem-286	1	38	chemistry	chemistry	PROPN
eurjchem-286	1	39	journal	journal	PROPN
eurjchem-286	1	40	homepage	homepage	NOUN
eurjchem-286	1	41	:	:	PUNCT
eurjchem-286	2	1	www.eurjchem.com	www.eurjchem.com	X
eurjchem-286	2	2	synthesis	synthesis	NOUN
eurjchem-286	2	3	,	,	PUNCT
eurjchem-286	2	4	ft‐ir	ft‐ir	NOUN
eurjchem-286	2	5	,	,	PUNCT
eurjchem-286	2	6	ft‐raman	ft‐raman	NOUN
eurjchem-286	2	7	and	and	CCONJ
eurjchem-286	2	8	quantum	quantum	ADJ
eurjchem-286	2	9	chemical	chemical	NOUN
eurjchem-286	2	10	investigations	investigation	NOUN
eurjchem-286	2	11	of	of	ADP
eurjchem-286	2	12	n‐(3‐methylphenyl)‐2,2‐dichloroacetamide	n‐(3‐methylphenyl)‐2,2‐dichloroacetamide	DET
eurjchem-286	2	13	velu	velu	NOUN
eurjchem-286	2	14	arjunana	arjunana	PROPN
eurjchem-286	2	15	,	,	PUNCT
eurjchem-286	2	16	*	*	PRON
eurjchem-286	2	17	,	,	PUNCT
eurjchem-286	2	18	thiruvengadam	thiruvengadam	NOUN
eurjchem-286	2	19	ranib	ranib	NOUN
eurjchem-286	2	20	,	,	PUNCT
eurjchem-286	2	21	chithathoor	chithathoor	PROPN
eurjchem-286	2	22	venugopal	venugopal	PROPN
eurjchem-286	2	23	mythilic	mythilic	NOUN
eurjchem-286	2	24	and	and	CCONJ
eurjchem-286	2	25	sriramulu	sriramulu	VERB
eurjchem-286	2	26	mohand	mohand	NOUN
eurjchem-286	2	27	a	a	DET
eurjchem-286	2	28	department	department	NOUN
eurjchem-286	2	29	of	of	ADP
eurjchem-286	2	30	chemistry	chemistry	NOUN
eurjchem-286	2	31	,	,	PUNCT
eurjchem-286	2	32	kanchi	kanchi	PROPN
eurjchem-286	2	33	mamunivar	mamunivar	PROPN
eurjchem-286	2	34	centre	centre	PROPN
eurjchem-286	2	35	for	for	ADP
eurjchem-286	2	36	post‐graduate	post‐graduate	NOUN
eurjchem-286	2	37	studies	study	NOUN
eurjchem-286	2	38	,	,	PUNCT
eurjchem-286	2	39	puducherry	puducherry	PROPN
eurjchem-286	2	40	,	,	PUNCT
eurjchem-286	2	41	in‐605008	in‐605008	PROPN
eurjchem-286	2	42	,	,	PUNCT
eurjchem-286	2	43	india	india	PROPN
eurjchem-286	2	44	b	b	PROPN
eurjchem-286	2	45	centre	centre	PROPN
eurjchem-286	2	46	for	for	ADP
eurjchem-286	2	47	research	research	NOUN
eurjchem-286	2	48	and	and	CCONJ
eurjchem-286	2	49	development	development	NOUN
eurjchem-286	2	50	,	,	PUNCT
eurjchem-286	2	51	prist	prist	NOUN
eurjchem-286	2	52	university	university	NOUN
eurjchem-286	2	53	,	,	PUNCT
eurjchem-286	2	54	thanjavur	thanjavur	NOUN
eurjchem-286	2	55	,	,	PUNCT
eurjchem-286	2	56	in‐613403	in‐613403	NOUN
eurjchem-286	2	57	,	,	PUNCT
eurjchem-286	2	58	india	india	PROPN
eurjchem-286	2	59	c	c	PROPN
eurjchem-286	2	60	department	department	PROPN
eurjchem-286	2	61	of	of	ADP
eurjchem-286	2	62	chemistry	chemistry	NOUN
eurjchem-286	2	63	,	,	PUNCT
eurjchem-286	2	64	rani	rani	PROPN
eurjchem-286	2	65	anna	anna	PROPN
eurjchem-286	2	66	government	government	PROPN
eurjchem-286	2	67	college	college	PROPN
eurjchem-286	2	68	for	for	ADP
eurjchem-286	2	69	women	woman	NOUN
eurjchem-286	2	70	,	,	PUNCT
eurjchem-286	2	71	tirunelveli	tirunelveli	PROPN
eurjchem-286	2	72	,	,	PUNCT
eurjchem-286	2	73	in‐627008	in‐627008	PROPN
eurjchem-286	2	74	,	,	PUNCT
eurjchem-286	2	75	india	india	PROPN
eurjchem-286	2	76	d	d	PROPN
eurjchem-286	2	77	department	department	PROPN
eurjchem-286	2	78	of	of	ADP
eurjchem-286	2	79	mathematical	mathematical	ADJ
eurjchem-286	2	80	and	and	CCONJ
eurjchem-286	2	81	physical	physical	ADJ
eurjchem-286	2	82	sciences	sciences	PROPN
eurjchem-286	2	83	,	,	PUNCT
eurjchem-286	2	84	hawasa	hawasa	PROPN
eurjchem-286	2	85	university	university	PROPN
eurjchem-286	2	86	,	,	PUNCT
eurjchem-286	2	87	hawasa	hawasa	PROPN
eurjchem-286	2	88	,	,	PUNCT
eurjchem-286	2	89	ethiopia	ethiopia	PROPN
eurjchem-286	2	90	*	*	SYM
eurjchem-286	2	91	corresponding	correspond	VERB
eurjchem-286	2	92	author	author	NOUN
eurjchem-286	2	93	at	at	ADP
eurjchem-286	2	94	:	:	PUNCT
eurjchem-286	2	95	department	department	NOUN
eurjchem-286	2	96	of	of	ADP
eurjchem-286	2	97	chemistry	chemistry	PROPN
eurjchem-286	2	98	,	,	PUNCT
eurjchem-286	2	99	kanchi	kanchi	PROPN
eurjchem-286	2	100	mamunivar	mamunivar	PROPN
eurjchem-286	2	101	centre	centre	PROPN
eurjchem-286	2	102	for	for	ADP
eurjchem-286	2	103	post‐graduate	post‐graduate	NOUN
eurjchem-286	2	104	studies	study	NOUN
eurjchem-286	2	105	,	,	PUNCT
eurjchem-286	2	106	puducherry	puducherry	PROPN
eurjchem-286	2	107	,	,	PUNCT
eurjchem-286	2	108	in‐605008	in‐605008	PROPN
eurjchem-286	2	109	,	,	PUNCT
eurjchem-286	2	110	india	india	PROPN
eurjchem-286	2	111	.	.	PUNCT
eurjchem-286	3	1	tel	tel	PROPN
eurjchem-286	3	2	.	.	PUNCT
eurjchem-286	3	3	:	:	PUNCT
eurjchem-286	4	1	+91.413.2211111	+91.413.2211111	NUM
eurjchem-286	4	2	;	;	PUNCT
eurjchem-286	4	3	fax	fax	NOUN
eurjchem-286	4	4	:	:	PUNCT
eurjchem-286	4	5	+91.413.2251613	+91.413.2251613	NUM
eurjchem-286	4	6	.	.	PUNCT
eurjchem-286	4	7	e‐mail	e‐mail	PUNCT
eurjchem-286	4	8	address	address	NOUN
eurjchem-286	4	9	:	:	PUNCT
eurjchem-286	4	10	varjunftir@yahoo.com	varjunftir@yahoo.com	X
eurjchem-286	4	11	(	(	PUNCT
eurjchem-286	4	12	v.	v.	ADP
eurjchem-286	4	13	arjunan	arjunan	NOUN
eurjchem-286	4	14	)	)	PUNCT
eurjchem-286	4	15	.	.	PUNCT
eurjchem-286	5	1	article	article	NOUN
eurjchem-286	5	2	information	information	PROPN
eurjchem-286	5	3	abstract	abstract	ADV
eurjchem-286	5	4	received	receive	VERB
eurjchem-286	5	5	:	:	PUNCT
eurjchem-286	5	6	20	20	NUM
eurjchem-286	5	7	september	september	PROPN
eurjchem-286	5	8	2010	2010	NUM
eurjchem-286	5	9	received	receive	VERB
eurjchem-286	5	10	in	in	ADP
eurjchem-286	5	11	revised	revise	VERB
eurjchem-286	5	12	form	form	NOUN
eurjchem-286	5	13	:	:	PUNCT
eurjchem-286	5	14	12	12	NUM
eurjchem-286	5	15	january	january	PROPN
eurjchem-286	5	16	2011	2011	NUM
eurjchem-286	5	17	accepted	accept	VERB
eurjchem-286	5	18	:	:	PUNCT
eurjchem-286	5	19	26	26	NUM
eurjchem-286	5	20	january	january	PROPN
eurjchem-286	5	21	2011	2011	NUM
eurjchem-286	5	22	online	online	ADV
eurjchem-286	5	23	:	:	PUNCT
eurjchem-286	5	24	31	31	NUM
eurjchem-286	5	25	march	march	NOUN
eurjchem-286	5	26	2011	2011	NUM
eurjchem-286	5	27	keywords	keyword	NOUN
eurjchem-286	5	28	n‐(3‐methylphenyl)‐2,2‐dichloroacetamide	n‐(3‐methylphenyl)‐2,2‐dichloroacetamide	ADV
eurjchem-286	5	29	of	of	ADP
eurjchem-286	5	30	the	the	DET
eurjchem-286	5	31	configuration	configuration	NOUN
eurjchem-286	5	32	xyc6h5‐y‐nhco‐chcl2	xyc6h5‐y‐nhco‐chcl2	PUNCT
eurjchem-286	6	1	(	(	PUNCT
eurjchem-286	6	2	where	where	SCONJ
eurjchem-286	6	3	,	,	PUNCT
eurjchem-286	6	4	x	x	PROPN
eurjchem-286	6	5	=	=	SYM
eurjchem-286	6	6	ch3	ch3	PROPN
eurjchem-286	6	7	and	and	CCONJ
eurjchem-286	6	8	y	y	PROPN
eurjchem-286	6	9	=	=	NOUN
eurjchem-286	6	10	1	1	NUM
eurjchem-286	6	11	)	)	PUNCT
eurjchem-286	6	12	was	be	AUX
eurjchem-286	6	13	synthesized	synthesize	VERB
eurjchem-286	6	14	and	and	CCONJ
eurjchem-286	6	15	an	an	DET
eurjchem-286	6	16	extensive	extensive	ADJ
eurjchem-286	6	17	spectroscopic	spectroscopic	ADJ
eurjchem-286	6	18	investigations	investigation	NOUN
eurjchem-286	6	19	have	have	AUX
eurjchem-286	6	20	been	be	AUX
eurjchem-286	6	21	carried	carry	VERB
eurjchem-286	6	22	out	out	ADP
eurjchem-286	6	23	by	by	ADP
eurjchem-286	6	24	recording	record	VERB
eurjchem-286	6	25	the	the	DET
eurjchem-286	6	26	fourier	fourier	NOUN
eurjchem-286	6	27	transform	transform	NOUN
eurjchem-286	6	28	infrared	infrared	ADJ
eurjchem-286	6	29	(	(	PUNCT
eurjchem-286	6	30	ft‐ir	ft‐ir	NOUN
eurjchem-286	6	31	)	)	PUNCT
eurjchem-286	6	32	and	and	CCONJ
eurjchem-286	6	33	ft‐raman	ft‐raman	PROPN
eurjchem-286	6	34	spectra	spectra	PROPN
eurjchem-286	6	35	in	in	ADP
eurjchem-286	6	36	an	an	DET
eurjchem-286	6	37	effort	effort	NOUN
eurjchem-286	6	38	to	to	PART
eurjchem-286	6	39	provide	provide	VERB
eurjchem-286	6	40	the	the	DET
eurjchem-286	6	41	complete	complete	ADJ
eurjchem-286	6	42	analysis	analysis	NOUN
eurjchem-286	6	43	of	of	ADP
eurjchem-286	6	44	the	the	DET
eurjchem-286	6	45	fundamental	fundamental	ADJ
eurjchem-286	6	46	modes	mode	NOUN
eurjchem-286	6	47	of	of	ADP
eurjchem-286	6	48	the	the	DET
eurjchem-286	6	49	compound	compound	NOUN
eurjchem-286	6	50	.	.	PUNCT
eurjchem-286	7	1	the	the	DET
eurjchem-286	7	2	ab	ab	PROPN
eurjchem-286	7	3	initio	initio	PROPN
eurjchem-286	7	4	and	and	CCONJ
eurjchem-286	7	5	dft	dft	PROPN
eurjchem-286	7	6	studies	study	NOUN
eurjchem-286	7	7	were	be	AUX
eurjchem-286	7	8	carried	carry	VERB
eurjchem-286	7	9	out	out	ADP
eurjchem-286	7	10	with	with	ADP
eurjchem-286	7	11	6‐311++g(d	6‐311++g(d	NUM
eurjchem-286	7	12	,	,	PUNCT
eurjchem-286	7	13	p	p	NOUN
eurjchem-286	7	14	)	)	PUNCT
eurjchem-286	7	15	and	and	CCONJ
eurjchem-286	7	16	6‐31g(d	6‐31g(d	NUM
eurjchem-286	7	17	,	,	PUNCT
eurjchem-286	7	18	p	p	NOUN
eurjchem-286	7	19	)	)	PUNCT
eurjchem-286	7	20	basis	basis	NOUN
eurjchem-286	7	21	set	set	VERB
eurjchem-286	7	22	to	to	PART
eurjchem-286	7	23	determine	determine	VERB
eurjchem-286	7	24	the	the	DET
eurjchem-286	7	25	structural	structural	ADJ
eurjchem-286	7	26	,	,	PUNCT
eurjchem-286	7	27	thermodynamical	thermodynamical	ADJ
eurjchem-286	7	28	and	and	CCONJ
eurjchem-286	7	29	vibrational	vibrational	ADJ
eurjchem-286	7	30	characteristics	characteristic	NOUN
eurjchem-286	7	31	of	of	ADP
eurjchem-286	7	32	the	the	DET
eurjchem-286	7	33	compound	compound	NOUN
eurjchem-286	7	34	.	.	PUNCT
eurjchem-286	8	1	the	the	DET
eurjchem-286	8	2	steric	steric	ADJ
eurjchem-286	8	3	influence	influence	NOUN
eurjchem-286	8	4	of	of	ADP
eurjchem-286	8	5	methyl	methyl	NOUN
eurjchem-286	8	6	group	group	NOUN
eurjchem-286	8	7	on	on	ADP
eurjchem-286	8	8	the	the	DET
eurjchem-286	8	9	characteristic	characteristic	ADJ
eurjchem-286	8	10	frequencies	frequency	NOUN
eurjchem-286	8	11	of	of	ADP
eurjchem-286	8	12	amide	amide	NOUN
eurjchem-286	8	13	(	(	PUNCT
eurjchem-286	8	14	‐conh‐	‐conh‐	PROPN
eurjchem-286	8	15	)	)	PUNCT
eurjchem-286	8	16	group	group	NOUN
eurjchem-286	8	17	has	have	AUX
eurjchem-286	8	18	been	be	AUX
eurjchem-286	8	19	analysed	analyse	VERB
eurjchem-286	8	20	.	.	PUNCT
eurjchem-286	9	1	ft‐ir	ft‐ir	PROPN
eurjchem-286	9	2	ft‐raman	ft‐raman	PROPN
eurjchem-286	9	3	n‐(3‐methylphenyl)‐2,2‐dichloroacetamide	n‐(3‐methylphenyl)‐2,2‐dichloroacetamide	PROPN
eurjchem-286	9	4	dft	dft	PROPN
eurjchem-286	9	5	ab	ab	PROPN
eurjchem-286	9	6	initio	initio	PROPN
eurjchem-286	9	7	synthesis	synthesis	NOUN
eurjchem-286	9	8	1	1	NUM
eurjchem-286	9	9	.	.	PUNCT
eurjchem-286	10	1	introduction	introduction	NOUN
eurjchem-286	10	2	amides	amide	NOUN
eurjchem-286	10	3	are	be	AUX
eurjchem-286	10	4	of	of	ADP
eurjchem-286	10	5	fundamental	fundamental	ADJ
eurjchem-286	10	6	interest	interest	NOUN
eurjchem-286	10	7	since	since	SCONJ
eurjchem-286	10	8	conjugation	conjugation	NOUN
eurjchem-286	10	9	between	between	ADP
eurjchem-286	10	10	nitrogen	nitrogen	NOUN
eurjchem-286	10	11	lone‐pair	lone‐pair	NOUN
eurjchem-286	10	12	electrons	electron	NOUN
eurjchem-286	10	13	and	and	CCONJ
eurjchem-286	10	14	the	the	DET
eurjchem-286	10	15	carbonyl	carbonyl	NOUN
eurjchem-286	10	16	‐bond	‐bond	NOUN
eurjchem-286	10	17	,	,	PUNCT
eurjchem-286	10	18	results	result	NOUN
eurjchem-286	10	19	in	in	ADP
eurjchem-286	10	20	distinct	distinct	ADJ
eurjchem-286	10	21	physical	physical	ADJ
eurjchem-286	10	22	and	and	CCONJ
eurjchem-286	10	23	chemical	chemical	NOUN
eurjchem-286	10	24	properties	property	NOUN
eurjchem-286	10	25	.	.	PUNCT
eurjchem-286	11	1	as	as	ADP
eurjchem-286	11	2	a	a	DET
eurjchem-286	11	3	result	result	NOUN
eurjchem-286	11	4	of	of	ADP
eurjchem-286	11	5	conjugation	conjugation	NOUN
eurjchem-286	11	6	between	between	ADP
eurjchem-286	11	7	the	the	DET
eurjchem-286	11	8	carbonyl	carbonyl	NOUN
eurjchem-286	11	9	bond	bond	NOUN
eurjchem-286	11	10	and	and	CCONJ
eurjchem-286	11	11	the	the	DET
eurjchem-286	11	12	nitrogen	nitrogen	NOUN
eurjchem-286	11	13	lone	lone	ADJ
eurjchem-286	11	14	pair	pair	NOUN
eurjchem-286	11	15	,	,	PUNCT
eurjchem-286	11	16	the	the	DET
eurjchem-286	11	17	c‐n	c‐n	PROPN
eurjchem-286	11	18	bond	bond	NOUN
eurjchem-286	11	19	in	in	ADP
eurjchem-286	11	20	amides	amide	NOUN
eurjchem-286	11	21	possesses	possess	VERB
eurjchem-286	11	22	considerable	considerable	ADJ
eurjchem-286	11	23	double	double	ADJ
eurjchem-286	11	24	bond	bond	NOUN
eurjchem-286	11	25	character	character	NOUN
eurjchem-286	11	26	thus	thus	ADV
eurjchem-286	11	27	;	;	PUNCT
eurjchem-286	11	28	one	one	PRON
eurjchem-286	11	29	can	can	AUX
eurjchem-286	11	30	expect	expect	VERB
eurjchem-286	11	31	restricted	restricted	ADJ
eurjchem-286	11	32	rotation	rotation	NOUN
eurjchem-286	11	33	about	about	ADP
eurjchem-286	11	34	this	this	DET
eurjchem-286	11	35	bond	bond	NOUN
eurjchem-286	11	36	and	and	CCONJ
eurjchem-286	11	37	a	a	DET
eurjchem-286	11	38	planar	planar	ADJ
eurjchem-286	11	39	configuration	configuration	NOUN
eurjchem-286	11	40	for	for	ADP
eurjchem-286	11	41	the	the	DET
eurjchem-286	11	42	amide	amide	NOUN
eurjchem-286	11	43	group	group	NOUN
eurjchem-286	11	44	.	.	PUNCT
eurjchem-286	12	1	this	this	DET
eurjchem-286	12	2	planar	planar	ADJ
eurjchem-286	12	3	structure	structure	NOUN
eurjchem-286	12	4	has	have	AUX
eurjchem-286	12	5	been	be	AUX
eurjchem-286	12	6	confirmed	confirm	VERB
eurjchem-286	12	7	by	by	ADP
eurjchem-286	12	8	measurement	measurement	NOUN
eurjchem-286	12	9	with	with	ADP
eurjchem-286	12	10	x‐rays	x‐rays	PUNCT
eurjchem-286	12	11	and	and	CCONJ
eurjchem-286	12	12	the	the	DET
eurjchem-286	12	13	trans‐	trans‐	PROPN
eurjchem-286	12	14	configuration	configuration	NOUN
eurjchem-286	12	15	is	be	AUX
eurjchem-286	12	16	the	the	DET
eurjchem-286	12	17	most	most	ADV
eurjchem-286	12	18	stable	stable	ADJ
eurjchem-286	12	19	and	and	CCONJ
eurjchem-286	12	20	it	it	PRON
eurjchem-286	12	21	has	have	AUX
eurjchem-286	12	22	been	be	AUX
eurjchem-286	12	23	shown	show	VERB
eurjchem-286	12	24	that	that	SCONJ
eurjchem-286	12	25	protein	protein	NOUN
eurjchem-286	12	26	chains	chain	NOUN
eurjchem-286	12	27	involve	involve	VERB
eurjchem-286	12	28	this	this	DET
eurjchem-286	12	29	structure	structure	NOUN
eurjchem-286	13	1	[	[	X
eurjchem-286	13	2	1‐	1‐	NUM
eurjchem-286	13	3	9	9	NUM
eurjchem-286	13	4	]	]	PUNCT
eurjchem-286	13	5	.	.	PUNCT
eurjchem-286	14	1	n‐phenylacetamide	n‐phenylacetamide	PROPN
eurjchem-286	14	2	is	be	AUX
eurjchem-286	14	3	an	an	DET
eurjchem-286	14	4	interesting	interesting	ADJ
eurjchem-286	14	5	system	system	NOUN
eurjchem-286	14	6	because	because	SCONJ
eurjchem-286	14	7	the	the	DET
eurjchem-286	14	8	nearly	nearly	ADV
eurjchem-286	14	9	planar	planar	ADJ
eurjchem-286	14	10	amide	amide	NOUN
eurjchem-286	14	11	group	group	NOUN
eurjchem-286	14	12	display	display	NOUN
eurjchem-286	14	13	bond	bond	NOUN
eurjchem-286	14	14	distances	distance	NOUN
eurjchem-286	14	15	,	,	PUNCT
eurjchem-286	14	16	which	which	PRON
eurjchem-286	14	17	are	be	AUX
eurjchem-286	14	18	close	close	ADJ
eurjchem-286	14	19	to	to	ADP
eurjchem-286	14	20	those	those	PRON
eurjchem-286	14	21	found	find	VERB
eurjchem-286	14	22	in	in	ADP
eurjchem-286	14	23	polypeptides	polypeptide	NOUN
eurjchem-286	14	24	.	.	PUNCT
eurjchem-286	15	1	spectroscopic	spectroscopic	NOUN
eurjchem-286	15	2	and	and	CCONJ
eurjchem-286	15	3	crystal	crystal	NOUN
eurjchem-286	15	4	structural	structural	ADJ
eurjchem-286	15	5	studies	study	NOUN
eurjchem-286	15	6	give	give	VERB
eurjchem-286	15	7	valuable	valuable	ADJ
eurjchem-286	15	8	informations	information	NOUN
eurjchem-286	15	9	on	on	ADP
eurjchem-286	15	10	bond	bond	NOUN
eurjchem-286	15	11	properties	property	NOUN
eurjchem-286	15	12	.	.	PUNCT
eurjchem-286	16	1	the	the	DET
eurjchem-286	16	2	–	–	PUNCT
eurjchem-286	16	3	co‐nh‐	co‐nh‐	PROPN
eurjchem-286	16	4	group	group	NOUN
eurjchem-286	16	5	adopts	adopt	VERB
eurjchem-286	16	6	a	a	DET
eurjchem-286	16	7	planar	planar	ADJ
eurjchem-286	16	8	‘	'	PUNCT
eurjchem-286	16	9	peptide‐like	peptide‐like	ADJ
eurjchem-286	16	10	’	'	PUNCT
eurjchem-286	16	11	conformation	conformation	NOUN
eurjchem-286	16	12	,	,	PUNCT
eurjchem-286	16	13	as	as	ADP
eurjchem-286	16	14	in	in	ADP
eurjchem-286	16	15	the	the	DET
eurjchem-286	16	16	case	case	NOUN
eurjchem-286	16	17	of	of	ADP
eurjchem-286	16	18	formamide	formamide	NOUN
eurjchem-286	16	19	[	[	X
eurjchem-286	16	20	10	10	NUM
eurjchem-286	16	21	]	]	PUNCT
eurjchem-286	16	22	,	,	PUNCT
eurjchem-286	16	23	methyl	methyl	NOUN
eurjchem-286	16	24	hydrazinocarboxylate	hydrazinocarboxylate	NOUN
eurjchem-286	17	1	[	[	X
eurjchem-286	17	2	11	11	NUM
eurjchem-286	17	3	]	]	PUNCT
eurjchem-286	17	4	,	,	PUNCT
eurjchem-286	17	5	n‐methylformamide	n‐methylformamide	ADP
eurjchem-286	17	6	[	[	X
eurjchem-286	17	7	12	12	NUM
eurjchem-286	17	8	]	]	PUNCT
eurjchem-286	17	9	,	,	PUNCT
eurjchem-286	17	10	o‐methyl	o‐methyl	PUNCT
eurjchem-286	17	11	acetanilide	acetanilide	PROPN
eurjchem-286	17	12	[	[	X
eurjchem-286	17	13	13	13	NUM
eurjchem-286	17	14	]	]	PUNCT
eurjchem-286	17	15	and	and	CCONJ
eurjchem-286	17	16	formanilide	formanilide	VERB
eurjchem-286	18	1	[	[	X
eurjchem-286	18	2	14,15	14,15	NUM
eurjchem-286	18	3	]	]	PUNCT
eurjchem-286	18	4	.	.	PUNCT
eurjchem-286	19	1	many	many	ADJ
eurjchem-286	19	2	n‐phenylacetamide	n‐phenylacetamide	NUM
eurjchem-286	19	3	derivatives	derivative	NOUN
eurjchem-286	19	4	exhibit	exhibit	VERB
eurjchem-286	19	5	fungicidal	fungicidal	NOUN
eurjchem-286	19	6	,	,	PUNCT
eurjchem-286	19	7	herbicidal	herbicidal	NOUN
eurjchem-286	19	8	and	and	CCONJ
eurjchem-286	19	9	pharmacological	pharmacological	ADJ
eurjchem-286	19	10	activities	activity	NOUN
eurjchem-286	19	11	which	which	PRON
eurjchem-286	19	12	further	far	ADV
eurjchem-286	19	13	stimulated	stimulate	VERB
eurjchem-286	19	14	the	the	DET
eurjchem-286	19	15	recent	recent	ADJ
eurjchem-286	19	16	interest	interest	NOUN
eurjchem-286	19	17	in	in	ADP
eurjchem-286	19	18	their	their	PRON
eurjchem-286	19	19	chemistry	chemistry	NOUN
eurjchem-286	19	20	.	.	PUNCT
eurjchem-286	20	1	anilide	anilide	ADJ
eurjchem-286	20	2	herbicides	herbicide	NOUN
eurjchem-286	20	3	such	such	ADJ
eurjchem-286	20	4	as	as	ADP
eurjchem-286	20	5	alachlor	alachlor	NOUN
eurjchem-286	20	6	,	,	PUNCT
eurjchem-286	20	7	acetochlor	acetochlor	NOUN
eurjchem-286	20	8	,	,	PUNCT
eurjchem-286	20	9	metolachlor	metolachlor	NOUN
eurjchem-286	20	10	,	,	PUNCT
eurjchem-286	20	11	pretilachlor	pretilachlor	NOUN
eurjchem-286	20	12	and	and	CCONJ
eurjchem-286	20	13	butachlor	butachlor	NOUN
eurjchem-286	20	14	are	be	AUX
eurjchem-286	20	15	promising	promise	VERB
eurjchem-286	20	16	weed	weed	NOUN
eurjchem-286	20	17	control	control	NOUN
eurjchem-286	20	18	agents	agent	NOUN
eurjchem-286	20	19	for	for	ADP
eurjchem-286	20	20	a	a	DET
eurjchem-286	20	21	wide	wide	ADJ
eurjchem-286	20	22	variety	variety	NOUN
eurjchem-286	20	23	of	of	ADP
eurjchem-286	20	24	economically	economically	ADV
eurjchem-286	20	25	important	important	ADJ
eurjchem-286	20	26	crops	crop	NOUN
eurjchem-286	20	27	including	include	VERB
eurjchem-286	20	28	rice	rice	NOUN
eurjchem-286	20	29	,	,	PUNCT
eurjchem-286	20	30	cotton	cotton	NOUN
eurjchem-286	20	31	,	,	PUNCT
eurjchem-286	20	32	potatoes	potato	NOUN
eurjchem-286	20	33	and	and	CCONJ
eurjchem-286	20	34	corns	corn	NOUN
eurjchem-286	21	1	[	[	X
eurjchem-286	21	2	16‐21	16‐21	X
eurjchem-286	21	3	]	]	X
eurjchem-286	21	4	.	.	PUNCT
eurjchem-286	22	1	n‐phenylacetamide	n‐phenylacetamide	PROPN
eurjchem-286	22	2	is	be	AUX
eurjchem-286	22	3	used	use	VERB
eurjchem-286	22	4	in	in	ADP
eurjchem-286	22	5	medicine	medicine	NOUN
eurjchem-286	22	6	under	under	ADP
eurjchem-286	22	7	the	the	DET
eurjchem-286	22	8	name	name	NOUN
eurjchem-286	22	9	antifebrin	antifebrin	ADV
eurjchem-286	22	10	,	,	PUNCT
eurjchem-286	22	11	as	as	ADP
eurjchem-286	22	12	a	a	DET
eurjchem-286	22	13	febrifuge	febrifuge	NOUN
eurjchem-286	22	14	and	and	CCONJ
eurjchem-286	22	15	it	it	PRON
eurjchem-286	22	16	has	have	VERB
eurjchem-286	22	17	pain	pain	NOUN
eurjchem-286	22	18	relieving	relieve	VERB
eurjchem-286	22	19	properties	property	NOUN
eurjchem-286	22	20	[	[	X
eurjchem-286	22	21	22	22	NUM
eurjchem-286	22	22	]	]	PUNCT
eurjchem-286	22	23	.	.	PUNCT
eurjchem-286	23	1	acetanilide	acetanilide	PROPN
eurjchem-286	23	2	is	be	AUX
eurjchem-286	23	3	a	a	DET
eurjchem-286	23	4	useful	useful	ADJ
eurjchem-286	23	5	intermediate	intermediate	NOUN
eurjchem-286	23	6	in	in	ADP
eurjchem-286	23	7	various	various	ADJ
eurjchem-286	23	8	reactions	reaction	NOUN
eurjchem-286	23	9	of	of	ADP
eurjchem-286	23	10	aniline	aniline	NOUN
eurjchem-286	23	11	in	in	ADP
eurjchem-286	23	12	which	which	PRON
eurjchem-286	23	13	it	it	PRON
eurjchem-286	23	14	is	be	AUX
eurjchem-286	23	15	desirable	desirable	ADJ
eurjchem-286	23	16	to	to	PART
eurjchem-286	23	17	protect	protect	VERB
eurjchem-286	23	18	the	the	DET
eurjchem-286	23	19	amino	amino	NOUN
eurjchem-286	23	20	group	group	NOUN
eurjchem-286	23	21	.	.	PUNCT
eurjchem-286	24	1	as	as	ADP
eurjchem-286	24	2	amides	amide	NOUN
eurjchem-286	24	3	are	be	AUX
eurjchem-286	24	4	the	the	DET
eurjchem-286	24	5	simplest	simple	ADJ
eurjchem-286	24	6	model	model	NOUN
eurjchem-286	24	7	for	for	ADP
eurjchem-286	24	8	peptides	peptide	NOUN
eurjchem-286	24	9	and	and	CCONJ
eurjchem-286	24	10	also	also	ADV
eurjchem-286	24	11	due	due	ADP
eurjchem-286	24	12	to	to	ADP
eurjchem-286	24	13	the	the	DET
eurjchem-286	24	14	fungicidal	fungicidal	NOUN
eurjchem-286	24	15	,	,	PUNCT
eurjchem-286	24	16	herbicidal	herbicidal	NOUN
eurjchem-286	24	17	and	and	CCONJ
eurjchem-286	24	18	several	several	ADJ
eurjchem-286	24	19	pharmacological	pharmacological	ADJ
eurjchem-286	24	20	activities	activity	NOUN
eurjchem-286	24	21	of	of	ADP
eurjchem-286	24	22	many	many	ADJ
eurjchem-286	24	23	acetanilide	acetanilide	ADJ
eurjchem-286	24	24	derivatives	derivative	NOUN
eurjchem-286	24	25	,	,	PUNCT
eurjchem-286	24	26	their	their	PRON
eurjchem-286	24	27	exact	exact	ADJ
eurjchem-286	24	28	structure	structure	NOUN
eurjchem-286	24	29	has	have	AUX
eurjchem-286	24	30	been	be	AUX
eurjchem-286	24	31	the	the	DET
eurjchem-286	24	32	subject	subject	NOUN
eurjchem-286	24	33	of	of	ADP
eurjchem-286	24	34	many	many	ADJ
eurjchem-286	24	35	experimental	experimental	ADJ
eurjchem-286	24	36	and	and	CCONJ
eurjchem-286	24	37	theoretical	theoretical	ADJ
eurjchem-286	24	38	studies	study	NOUN
eurjchem-286	24	39	[	[	X
eurjchem-286	24	40	23‐28	23‐28	X
eurjchem-286	24	41	]	]	PUNCT
eurjchem-286	24	42	.	.	PUNCT
eurjchem-286	25	1	the	the	DET
eurjchem-286	25	2	vibrational	vibrational	ADJ
eurjchem-286	25	3	spectroscopic	spectroscopic	ADJ
eurjchem-286	25	4	analysis	analysis	NOUN
eurjchem-286	25	5	of	of	ADP
eurjchem-286	25	6	n‐(3‐	n‐(3‐	PROPN
eurjchem-286	25	7	methylphenyl)‐2,2‐dichloroacetamide	methylphenyl)‐2,2‐dichloroacetamide	PROPN
eurjchem-286	25	8	has	have	AUX
eurjchem-286	25	9	not	not	PART
eurjchem-286	25	10	been	be	AUX
eurjchem-286	25	11	studied	study	VERB
eurjchem-286	25	12	.	.	PUNCT
eurjchem-286	26	1	thus	thus	ADV
eurjchem-286	26	2	,	,	PUNCT
eurjchem-286	26	3	in	in	ADP
eurjchem-286	26	4	continuation	continuation	NOUN
eurjchem-286	26	5	of	of	ADP
eurjchem-286	26	6	earlier	early	ADJ
eurjchem-286	26	7	studies	study	NOUN
eurjchem-286	26	8	on	on	ADP
eurjchem-286	26	9	n‐(chloro	n‐(chloro	NUM
eurjchem-286	26	10	substituted	substitute	VERB
eurjchem-286	26	11	phenyl)‐2,2‐dichloroacetamides	phenyl)‐2,2‐dichloroacetamide	NOUN
eurjchem-286	26	12	[	[	X
eurjchem-286	26	13	1	1	NUM
eurjchem-286	26	14	]	]	PUNCT
eurjchem-286	26	15	and	and	CCONJ
eurjchem-286	26	16	n‐(2‐	n‐(2‐	PROPN
eurjchem-286	26	17	methylphenyl)‐	methylphenyl)‐	PROPN
eurjchem-286	26	18	,	,	PUNCT
eurjchem-286	26	19	and	and	CCONJ
eurjchem-286	26	20	n‐(4‐methylphenyl)‐2,2‐dichloroacet	n‐(4‐methylphenyl)‐2,2‐dichloroacet	NOUN
eurjchem-286	26	21	amides	amide	NOUN
eurjchem-286	26	22	[	[	PUNCT
eurjchem-286	26	23	29	29	NUM
eurjchem-286	26	24	]	]	PUNCT
eurjchem-286	26	25	,	,	PUNCT
eurjchem-286	26	26	the	the	DET
eurjchem-286	26	27	n‐(3‐methylphenyl)‐2,2‐dichloroacetamide	n‐(3‐methylphenyl)‐2,2‐dichloroacetamide	ADJ
eurjchem-286	26	28	(	(	PUNCT
eurjchem-286	26	29	3mpa	3mpa	NOUN
eurjchem-286	26	30	)	)	PUNCT
eurjchem-286	26	31	of	of	ADP
eurjchem-286	26	32	the	the	DET
eurjchem-286	26	33	configuration	configuration	NOUN
eurjchem-286	26	34	xyc6h5‐y‐nhco‐chcl2	xyc6h5‐y‐nhco‐chcl2	PUNCT
eurjchem-286	26	35	(	(	PUNCT
eurjchem-286	26	36	where	where	SCONJ
eurjchem-286	26	37	,	,	PUNCT
eurjchem-286	26	38	x	x	PROPN
eurjchem-286	26	39	=	=	SYM
eurjchem-286	26	40	ch3	ch3	PROPN
eurjchem-286	26	41	and	and	CCONJ
eurjchem-286	26	42	y	y	PROPN
eurjchem-286	26	43	=	=	SYM
eurjchem-286	26	44	1	1	X
eurjchem-286	26	45	)	)	PUNCT
eurjchem-286	26	46	has	have	AUX
eurjchem-286	26	47	been	be	AUX
eurjchem-286	26	48	synthesised	synthesise	VERB
eurjchem-286	26	49	.	.	PUNCT
eurjchem-286	27	1	spectroscopic	spectroscopic	ADJ
eurjchem-286	27	2	and	and	CCONJ
eurjchem-286	27	3	quantum	quantum	ADJ
eurjchem-286	27	4	chemical	chemical	NOUN
eurjchem-286	27	5	studies	study	NOUN
eurjchem-286	27	6	were	be	AUX
eurjchem-286	27	7	carried	carry	VERB
eurjchem-286	27	8	out	out	ADP
eurjchem-286	27	9	on	on	ADP
eurjchem-286	27	10	3mpa	3mpa	PROPN
eurjchem-286	27	11	in	in	ADP
eurjchem-286	27	12	an	an	DET
eurjchem-286	27	13	effort	effort	NOUN
eurjchem-286	27	14	to	to	PART
eurjchem-286	27	15	provide	provide	VERB
eurjchem-286	27	16	possible	possible	ADJ
eurjchem-286	27	17	explanations	explanation	NOUN
eurjchem-286	27	18	for	for	ADP
eurjchem-286	27	19	vibrational	vibrational	ADJ
eurjchem-286	27	20	frequencies	frequency	NOUN
eurjchem-286	27	21	and	and	CCONJ
eurjchem-286	27	22	to	to	PART
eurjchem-286	27	23	understand	understand	VERB
eurjchem-286	27	24	the	the	DET
eurjchem-286	27	25	effect	effect	NOUN
eurjchem-286	27	26	of	of	ADP
eurjchem-286	27	27	methyl	methyl	NOUN
eurjchem-286	27	28	group	group	NOUN
eurjchem-286	27	29	on	on	ADP
eurjchem-286	27	30	the	the	DET
eurjchem-286	27	31	characteristic	characteristic	ADJ
eurjchem-286	27	32	frequencies	frequency	NOUN
eurjchem-286	27	33	of	of	ADP
eurjchem-286	27	34	amide	amide	NOUN
eurjchem-286	27	35	group	group	NOUN
eurjchem-286	27	36	.	.	PUNCT
eurjchem-286	28	1	2	2	X
eurjchem-286	28	2	.	.	X
eurjchem-286	28	3	experimental	experimental	ADJ
eurjchem-286	28	4	2.1	2.1	NUM
eurjchem-286	28	5	.	.	PUNCT
eurjchem-286	29	1	synthesis	synthesis	VERB
eurjchem-286	29	2	the	the	DET
eurjchem-286	29	3	compound	compound	NOUN
eurjchem-286	29	4	n‐(3‐methylphenyl)‐2,2‐dichloroacetamide	n‐(3‐methylphenyl)‐2,2‐dichloroacetamide	ADV
eurjchem-286	29	5	was	be	AUX
eurjchem-286	29	6	synthesized	synthesize	VERB
eurjchem-286	29	7	from	from	ADP
eurjchem-286	29	8	methylaniline	methylaniline	NOUN
eurjchem-286	29	9	,	,	PUNCT
eurjchem-286	29	10	dichloroacetic	dichloroacetic	ADJ
eurjchem-286	29	11	acid	acid	NOUN
eurjchem-286	29	12	and	and	CCONJ
eurjchem-286	29	13	phosphorus	phosphorus	NOUN
eurjchem-286	29	14	oxychloride	oxychloride	NOUN
eurjchem-286	29	15	based	base	VERB
eurjchem-286	29	16	on	on	ADP
eurjchem-286	29	17	the	the	DET
eurjchem-286	29	18	procedure	procedure	NOUN
eurjchem-286	29	19	reported	report	VERB
eurjchem-286	29	20	[	[	X
eurjchem-286	29	21	1,29	1,29	NUM
eurjchem-286	29	22	]	]	X
eurjchem-286	29	23	.	.	PUNCT
eurjchem-286	30	1	the	the	DET
eurjchem-286	30	2	pure	pure	ADJ
eurjchem-286	30	3	samples	sample	NOUN
eurjchem-286	30	4	of	of	ADP
eurjchem-286	30	5	3‐methylaniline	3‐methylaniline	NOUN
eurjchem-286	30	6	,	,	PUNCT
eurjchem-286	30	7	dichloroacetic	dichloroacetic	ADJ
eurjchem-286	30	8	acid	acid	NOUN
eurjchem-286	30	9	and	and	CCONJ
eurjchem-286	30	10	phosphorus	phosphorus	NOUN
eurjchem-286	30	11	oxychloride	oxychloride	NOUN
eurjchem-286	30	12	were	be	AUX
eurjchem-286	30	13	purchased	purchase	VERB
eurjchem-286	30	14	from	from	ADP
eurjchem-286	30	15	aldrich	aldrich	PROPN
eurjchem-286	30	16	chemicals	chemicals	PROPN
eurjchem-286	30	17	,	,	PUNCT
eurjchem-286	30	18	usa	usa	PROPN
eurjchem-286	30	19	and	and	CCONJ
eurjchem-286	30	20	are	be	AUX
eurjchem-286	30	21	used	use	VERB
eurjchem-286	30	22	as	as	ADP
eurjchem-286	30	23	such	such	ADJ
eurjchem-286	30	24	without	without	ADP
eurjchem-286	30	25	further	further	ADJ
eurjchem-286	30	26	purification	purification	NOUN
eurjchem-286	30	27	.	.	PUNCT
eurjchem-286	31	1	all	all	DET
eurjchem-286	31	2	other	other	ADJ
eurjchem-286	31	3	chemicals	chemical	NOUN
eurjchem-286	31	4	used	use	VERB
eurjchem-286	31	5	are	be	AUX
eurjchem-286	31	6	of	of	ADP
eurjchem-286	31	7	analar	analar	ADJ
eurjchem-286	31	8	(	(	PUNCT
eurjchem-286	31	9	ar	ar	NOUN
eurjchem-286	31	10	)	)	PUNCT
eurjchem-286	31	11	grade	grade	NOUN
eurjchem-286	31	12	.	.	PUNCT
eurjchem-286	32	1	the	the	DET
eurjchem-286	32	2	synthesized	synthesize	VERB
eurjchem-286	32	3	crude	crude	ADJ
eurjchem-286	32	4	compound	compound	NOUN
eurjchem-286	32	5	was	be	AUX
eurjchem-286	32	6	recrystallised	recrystallise	VERB
eurjchem-286	32	7	from	from	ADP
eurjchem-286	32	8	ethanol	ethanol	NOUN
eurjchem-286	32	9	several	several	ADJ
eurjchem-286	32	10	times	time	NOUN
eurjchem-286	32	11	.	.	PUNCT
eurjchem-286	33	1	the	the	DET
eurjchem-286	33	2	yield	yield	NOUN
eurjchem-286	33	3	of	of	ADP
eurjchem-286	33	4	the	the	DET
eurjchem-286	33	5	product	product	NOUN
eurjchem-286	33	6	is	be	AUX
eurjchem-286	33	7	about	about	ADV
eurjchem-286	33	8	65	65	NUM
eurjchem-286	33	9	%	%	NOUN
eurjchem-286	33	10	.	.	PUNCT
eurjchem-286	34	1	the	the	DET
eurjchem-286	34	2	melting	melting	NOUN
eurjchem-286	34	3	point	point	NOUN
eurjchem-286	34	4	of	of	ADP
eurjchem-286	34	5	the	the	DET
eurjchem-286	34	6	recrystallised	recrystallise	VERB
eurjchem-286	34	7	sample	sample	NOUN
eurjchem-286	34	8	is	be	AUX
eurjchem-286	34	9	99	99	NUM
eurjchem-286	34	10	oc	oc	NOUN
eurjchem-286	34	11	.	.	PUNCT
eurjchem-286	35	1	the	the	DET
eurjchem-286	35	2	arjunan	arjunan	NOUN
eurjchem-286	35	3	et	et	PROPN
eurjchem-286	35	4	al	al	PROPN
eurjchem-286	35	5	.	.	PUNCT
eurjchem-286	35	6	/	/	SYM
eurjchem-286	35	7	european	european	PROPN
eurjchem-286	35	8	journal	journal	PROPN
eurjchem-286	35	9	of	of	ADP
eurjchem-286	35	10	chemistry	chemistry	NOUN
eurjchem-286	35	11	2	2	NUM
eurjchem-286	35	12	(	(	PUNCT
eurjchem-286	35	13	1	1	NUM
eurjchem-286	35	14	)	)	PUNCT
eurjchem-286	35	15	(	(	PUNCT
eurjchem-286	35	16	2011	2011	NUM
eurjchem-286	35	17	)	)	PUNCT
eurjchem-286	35	18	70‐76	70‐76	NOUN
eurjchem-286	35	19	71	71	NUM
eurjchem-286	35	20	purity	purity	NOUN
eurjchem-286	35	21	of	of	ADP
eurjchem-286	35	22	the	the	DET
eurjchem-286	35	23	compound	compound	NOUN
eurjchem-286	35	24	was	be	AUX
eurjchem-286	35	25	confirmed	confirm	VERB
eurjchem-286	35	26	by	by	ADP
eurjchem-286	35	27	chemical	chemical	ADJ
eurjchem-286	35	28	analysis	analysis	NOUN
eurjchem-286	35	29	for	for	ADP
eurjchem-286	35	30	c	c	NOUN
eurjchem-286	35	31	,	,	PUNCT
eurjchem-286	35	32	h	h	NOUN
eurjchem-286	35	33	and	and	CCONJ
eurjchem-286	35	34	n.	n.	VERB
eurjchem-286	35	35	the	the	DET
eurjchem-286	35	36	%	%	NOUN
eurjchem-286	35	37	found	find	VERB
eurjchem-286	35	38	(	(	PUNCT
eurjchem-286	35	39	calculated	calculate	VERB
eurjchem-286	35	40	)	)	PUNCT
eurjchem-286	35	41	c	c	PROPN
eurjchem-286	35	42	49.59	49.59	NUM
eurjchem-286	35	43	(	(	PUNCT
eurjchem-286	35	44	49.57	49.57	NUM
eurjchem-286	35	45	)	)	PUNCT
eurjchem-286	35	46	,	,	PUNCT
eurjchem-286	35	47	h	h	NOUN
eurjchem-286	35	48	4.15	4.15	NUM
eurjchem-286	35	49	(	(	PUNCT
eurjchem-286	35	50	4.16	4.16	NUM
eurjchem-286	35	51	)	)	PUNCT
eurjchem-286	35	52	and	and	CCONJ
eurjchem-286	35	53	n	n	ADV
eurjchem-286	35	54	6.39	6.39	NUM
eurjchem-286	35	55	(	(	PUNCT
eurjchem-286	35	56	6.42	6.42	NUM
eurjchem-286	35	57	)	)	PUNCT
eurjchem-286	35	58	.	.	PUNCT
eurjchem-286	36	1	the	the	DET
eurjchem-286	36	2	simple	simple	ADJ
eurjchem-286	36	3	reaction	reaction	NOUN
eurjchem-286	36	4	is	be	AUX
eurjchem-286	36	5	shown	show	VERB
eurjchem-286	36	6	in	in	ADP
eurjchem-286	36	7	scheme	scheme	NOUN
eurjchem-286	36	8	1	1	NUM
eurjchem-286	36	9	.	.	PUNCT
eurjchem-286	36	10	scheme	scheme	NOUN
eurjchem-286	36	11	1	1	NUM
eurjchem-286	36	12	2.2	2.2	NUM
eurjchem-286	36	13	.	.	PUNCT
eurjchem-286	37	1	instrumentation	instrumentation	NOUN
eurjchem-286	37	2	the	the	DET
eurjchem-286	37	3	ft‐ir	ft‐ir	NOUN
eurjchem-286	37	4	spectrum	spectrum	NOUN
eurjchem-286	37	5	of	of	ADP
eurjchem-286	37	6	the	the	DET
eurjchem-286	37	7	compound	compound	NOUN
eurjchem-286	37	8	was	be	AUX
eurjchem-286	37	9	recorded	record	VERB
eurjchem-286	37	10	by	by	ADP
eurjchem-286	37	11	kbr	kbr	PROPN
eurjchem-286	37	12	disc	disc	NOUN
eurjchem-286	37	13	method	method	NOUN
eurjchem-286	37	14	in	in	ADP
eurjchem-286	37	15	the	the	DET
eurjchem-286	37	16	range	range	NOUN
eurjchem-286	37	17	of	of	ADP
eurjchem-286	37	18	4000	4000	NUM
eurjchem-286	37	19	to	to	ADP
eurjchem-286	37	20	400	400	NUM
eurjchem-286	37	21	cm‐1	cm‐1	NOUN
eurjchem-286	37	22	with	with	ADP
eurjchem-286	37	23	shimadzu	shimadzu	ADJ
eurjchem-286	37	24	ftir‐8400	ftir‐8400	PROPN
eurjchem-286	37	25	spectrometer	spectrometer	NOUN
eurjchem-286	37	26	,	,	PUNCT
eurjchem-286	37	27	features	feature	VERB
eurjchem-286	37	28	a	a	DET
eurjchem-286	37	29	temperature	temperature	NOUN
eurjchem-286	37	30	stabilized	stabilize	VERB
eurjchem-286	37	31	dlatgs	dlatgs	NOUN
eurjchem-286	37	32	detector	detector	NOUN
eurjchem-286	37	33	,	,	PUNCT
eurjchem-286	37	34	30	30	NUM
eurjchem-286	37	35	degree	degree	NOUN
eurjchem-286	37	36	michelson	michelson	PROPN
eurjchem-286	37	37	interferometer	interferometer	PROPN
eurjchem-286	37	38	and	and	CCONJ
eurjchem-286	37	39	a	a	DET
eurjchem-286	37	40	high‐energy	high‐energy	NOUN
eurjchem-286	37	41	ceramic	ceramic	ADJ
eurjchem-286	37	42	globar	globar	PROPN
eurjchem-286	37	43	source	source	NOUN
eurjchem-286	37	44	.	.	PUNCT
eurjchem-286	38	1	the	the	DET
eurjchem-286	38	2	spectral	spectral	ADJ
eurjchem-286	38	3	resolution	resolution	NOUN
eurjchem-286	38	4	is	be	AUX
eurjchem-286	38	5	2	2	NUM
eurjchem-286	38	6	cm‐1	cm‐1	NOUN
eurjchem-286	38	7	.	.	PUNCT
eurjchem-286	39	1	the	the	DET
eurjchem-286	39	2	ft‐raman	ft‐raman	PROPN
eurjchem-286	39	3	spectrum	spectrum	NOUN
eurjchem-286	39	4	of	of	ADP
eurjchem-286	39	5	the	the	DET
eurjchem-286	39	6	compound	compound	NOUN
eurjchem-286	39	7	was	be	AUX
eurjchem-286	39	8	recorded	record	VERB
eurjchem-286	39	9	in	in	ADP
eurjchem-286	39	10	the	the	DET
eurjchem-286	39	11	bruker	bruker	PROPN
eurjchem-286	39	12	ifs	ifs	PROPN
eurjchem-286	39	13	66v	66v	PROPN
eurjchem-286	39	14	spectrometer	spectrometer	NOUN
eurjchem-286	39	15	with	with	ADP
eurjchem-286	39	16	fra	fra	PROPN
eurjchem-286	39	17	106	106	NUM
eurjchem-286	39	18	raman	raman	NOUN
eurjchem-286	39	19	module	module	NOUN
eurjchem-286	39	20	.	.	PUNCT
eurjchem-286	40	1	the	the	DET
eurjchem-286	40	2	raman	raman	NOUN
eurjchem-286	40	3	spectrum	spectrum	NOUN
eurjchem-286	40	4	was	be	AUX
eurjchem-286	40	5	obtained	obtain	VERB
eurjchem-286	40	6	in	in	ADP
eurjchem-286	40	7	the	the	DET
eurjchem-286	40	8	wavenumber	wavenumber	NOUN
eurjchem-286	40	9	range	range	NOUN
eurjchem-286	40	10	3500–100	3500–100	NOUN
eurjchem-286	40	11	cm‐1	cm‐1	INTJ
eurjchem-286	40	12	.	.	PUNCT
eurjchem-286	41	1	the	the	DET
eurjchem-286	41	2	light	light	NOUN
eurjchem-286	41	3	scattering	scattering	NOUN
eurjchem-286	41	4	was	be	AUX
eurjchem-286	41	5	excited	excite	VERB
eurjchem-286	41	6	using	use	VERB
eurjchem-286	41	7	a	a	DET
eurjchem-286	41	8	low‐noise	low‐noise	NOUN
eurjchem-286	41	9	diode	diode	NOUN
eurjchem-286	41	10	pumped	pump	VERB
eurjchem-286	41	11	nd	nd	PRON
eurjchem-286	41	12	:	:	PUNCT
eurjchem-286	41	13	yag	yag	NOUN
eurjchem-286	41	14	laser	laser	NOUN
eurjchem-286	41	15	source	source	NOUN
eurjchem-286	41	16	operating	operate	VERB
eurjchem-286	41	17	at	at	ADP
eurjchem-286	41	18	1.064	1.064	NUM
eurjchem-286	41	19	m	m	PROPN
eurjchem-286	41	20	with	with	ADP
eurjchem-286	41	21	200	200	NUM
eurjchem-286	41	22	mw	mw	ADJ
eurjchem-286	41	23	power	power	NOUN
eurjchem-286	41	24	.	.	PUNCT
eurjchem-286	42	1	a	a	DET
eurjchem-286	42	2	special	special	ADJ
eurjchem-286	42	3	(	(	PUNCT
eurjchem-286	42	4	enhanced	enhanced	ADJ
eurjchem-286	42	5	)	)	PUNCT
eurjchem-286	42	6	liquid	liquid	ADJ
eurjchem-286	42	7	nitrogen	nitrogen	NOUN
eurjchem-286	42	8	cooled	cool	VERB
eurjchem-286	42	9	germanium	germanium	NOUN
eurjchem-286	42	10	detector	detector	NOUN
eurjchem-286	42	11	was	be	AUX
eurjchem-286	42	12	used	use	VERB
eurjchem-286	42	13	.	.	PUNCT
eurjchem-286	43	1	the	the	DET
eurjchem-286	43	2	frequencies	frequency	NOUN
eurjchem-286	43	3	of	of	ADP
eurjchem-286	43	4	all	all	DET
eurjchem-286	43	5	sharp	sharp	ADJ
eurjchem-286	43	6	bands	band	NOUN
eurjchem-286	43	7	are	be	AUX
eurjchem-286	43	8	accurate	accurate	ADJ
eurjchem-286	43	9	to	to	ADP
eurjchem-286	43	10	2	2	NUM
eurjchem-286	43	11	cm‐1	cm‐1	NOUN
eurjchem-286	43	12	.	.	PUNCT
eurjchem-286	44	1	2.3	2.3	NUM
eurjchem-286	44	2	.	.	PUNCT
eurjchem-286	45	1	computational	computational	ADJ
eurjchem-286	45	2	details	detail	NOUN
eurjchem-286	45	3	the	the	DET
eurjchem-286	45	4	gradient	gradient	NOUN
eurjchem-286	45	5	corrected	correct	VERB
eurjchem-286	45	6	density	density	NOUN
eurjchem-286	45	7	functional	functional	ADJ
eurjchem-286	45	8	theory	theory	NOUN
eurjchem-286	45	9	(	(	PUNCT
eurjchem-286	45	10	dft	dft	PROPN
eurjchem-286	45	11	)	)	PUNCT
eurjchem-286	46	1	[	[	X
eurjchem-286	46	2	30	30	NUM
eurjchem-286	46	3	]	]	PUNCT
eurjchem-286	46	4	with	with	ADP
eurjchem-286	46	5	the	the	DET
eurjchem-286	46	6	three‐parameter	three‐parameter	NOUN
eurjchem-286	46	7	hybrid	hybrid	ADJ
eurjchem-286	46	8	functional	functional	ADJ
eurjchem-286	46	9	becke3	becke3	PROPN
eurjchem-286	46	10	(	(	PUNCT
eurjchem-286	46	11	b3	b3	PROPN
eurjchem-286	46	12	)	)	PUNCT
eurjchem-286	47	1	[	[	X
eurjchem-286	47	2	31	31	NUM
eurjchem-286	47	3	]	]	PUNCT
eurjchem-286	47	4	for	for	ADP
eurjchem-286	47	5	the	the	DET
eurjchem-286	47	6	exchange	exchange	NOUN
eurjchem-286	47	7	part	part	NOUN
eurjchem-286	47	8	and	and	CCONJ
eurjchem-286	47	9	the	the	DET
eurjchem-286	47	10	lee‐yang‐parr	lee‐yang‐parr	PROPN
eurjchem-286	47	11	(	(	PUNCT
eurjchem-286	47	12	lyp	lyp	PROPN
eurjchem-286	47	13	)	)	PUNCT
eurjchem-286	47	14	correlation	correlation	NOUN
eurjchem-286	47	15	function	function	NOUN
eurjchem-286	47	16	[	[	X
eurjchem-286	47	17	32	32	NUM
eurjchem-286	47	18	]	]	PUNCT
eurjchem-286	47	19	,	,	PUNCT
eurjchem-286	47	20	level	level	NOUN
eurjchem-286	47	21	of	of	ADP
eurjchem-286	47	22	calculations	calculation	NOUN
eurjchem-286	47	23	have	have	AUX
eurjchem-286	47	24	been	be	AUX
eurjchem-286	47	25	carried	carry	VERB
eurjchem-286	47	26	out	out	ADP
eurjchem-286	47	27	in	in	ADP
eurjchem-286	47	28	the	the	DET
eurjchem-286	47	29	present	present	ADJ
eurjchem-286	47	30	investigation	investigation	NOUN
eurjchem-286	47	31	,	,	PUNCT
eurjchem-286	47	32	using	use	VERB
eurjchem-286	47	33	6‐311++g(d	6‐311++g(d	NUM
eurjchem-286	47	34	,	,	PUNCT
eurjchem-286	47	35	p	p	NOUN
eurjchem-286	47	36	)	)	PUNCT
eurjchem-286	47	37	basis	basis	NOUN
eurjchem-286	47	38	sets	set	NOUN
eurjchem-286	47	39	with	with	ADP
eurjchem-286	47	40	gaussian	gaussian	NOUN
eurjchem-286	47	41	03	03	NUM
eurjchem-286	48	1	[	[	X
eurjchem-286	48	2	33	33	NUM
eurjchem-286	48	3	]	]	PUNCT
eurjchem-286	48	4	program	program	NOUN
eurjchem-286	48	5	package	package	NOUN
eurjchem-286	48	6	.	.	PUNCT
eurjchem-286	49	1	following	follow	VERB
eurjchem-286	49	2	geometry	geometry	NOUN
eurjchem-286	49	3	optimisations	optimisation	NOUN
eurjchem-286	49	4	with	with	ADP
eurjchem-286	49	5	hf	hf	NOUN
eurjchem-286	49	6	and	and	CCONJ
eurjchem-286	49	7	b3lyp	b3lyp	NUM
eurjchem-286	49	8	method	method	NOUN
eurjchem-286	49	9	using	use	VERB
eurjchem-286	49	10	6‐	6‐	PROPN
eurjchem-286	49	11	311++g(d	311++g(d	NOUN
eurjchem-286	49	12	,	,	PUNCT
eurjchem-286	49	13	p	p	NOUN
eurjchem-286	49	14	)	)	PUNCT
eurjchem-286	49	15	and	and	CCONJ
eurjchem-286	49	16	6‐31g(d	6‐31g(d	NUM
eurjchem-286	49	17	,	,	PUNCT
eurjchem-286	49	18	p	p	NOUN
eurjchem-286	49	19	)	)	PUNCT
eurjchem-286	49	20	basis	basis	NOUN
eurjchem-286	49	21	sets	set	NOUN
eurjchem-286	49	22	to	to	PART
eurjchem-286	49	23	characterise	characterise	VERB
eurjchem-286	49	24	all	all	DET
eurjchem-286	49	25	stationary	stationary	ADJ
eurjchem-286	49	26	points	point	NOUN
eurjchem-286	49	27	as	as	ADP
eurjchem-286	49	28	minima	minima	PROPN
eurjchem-286	49	29	,	,	PUNCT
eurjchem-286	49	30	the	the	DET
eurjchem-286	49	31	vibrational	vibrational	ADJ
eurjchem-286	49	32	frequencies	frequency	NOUN
eurjchem-286	49	33	resulting	result	VERB
eurjchem-286	49	34	in	in	ADP
eurjchem-286	49	35	ir	ir	PROPN
eurjchem-286	49	36	and	and	CCONJ
eurjchem-286	49	37	raman	raman	ADJ
eurjchem-286	49	38	frequencies	frequency	NOUN
eurjchem-286	49	39	together	together	ADV
eurjchem-286	49	40	with	with	ADP
eurjchem-286	49	41	intensities	intensity	NOUN
eurjchem-286	49	42	,	,	PUNCT
eurjchem-286	49	43	raman	raman	NOUN
eurjchem-286	49	44	depolarization	depolarization	NOUN
eurjchem-286	49	45	ratios	ratio	NOUN
eurjchem-286	49	46	and	and	CCONJ
eurjchem-286	49	47	thermodynamical	thermodynamical	ADJ
eurjchem-286	49	48	parameters	parameter	NOUN
eurjchem-286	49	49	were	be	AUX
eurjchem-286	49	50	determined	determine	VERB
eurjchem-286	49	51	.	.	PUNCT
eurjchem-286	50	1	owing	owe	VERB
eurjchem-286	50	2	to	to	ADP
eurjchem-286	50	3	the	the	DET
eurjchem-286	50	4	complexity	complexity	NOUN
eurjchem-286	50	5	of	of	ADP
eurjchem-286	50	6	the	the	DET
eurjchem-286	50	7	molecule	molecule	NOUN
eurjchem-286	50	8	,	,	PUNCT
eurjchem-286	50	9	the	the	DET
eurjchem-286	50	10	potential	potential	ADJ
eurjchem-286	50	11	energy	energy	NOUN
eurjchem-286	50	12	distribution	distribution	NOUN
eurjchem-286	50	13	of	of	ADP
eurjchem-286	50	14	the	the	DET
eurjchem-286	50	15	vibrational	vibrational	ADJ
eurjchem-286	50	16	modes	mode	NOUN
eurjchem-286	50	17	of	of	ADP
eurjchem-286	50	18	the	the	DET
eurjchem-286	50	19	compounds	compound	NOUN
eurjchem-286	50	20	are	be	AUX
eurjchem-286	50	21	also	also	ADV
eurjchem-286	50	22	calculated	calculate	VERB
eurjchem-286	50	23	through	through	ADP
eurjchem-286	50	24	normal	normal	ADJ
eurjchem-286	50	25	coordinate	coordinate	NOUN
eurjchem-286	50	26	analysis	analysis	NOUN
eurjchem-286	50	27	[	[	X
eurjchem-286	50	28	34‐36	34‐36	X
eurjchem-286	50	29	]	]	PUNCT
eurjchem-286	50	30	using	use	VERB
eurjchem-286	50	31	the	the	DET
eurjchem-286	50	32	force	force	NOUN
eurjchem-286	50	33	constants	constant	NOUN
eurjchem-286	50	34	obtained	obtain	VERB
eurjchem-286	50	35	from	from	ADP
eurjchem-286	50	36	the	the	DET
eurjchem-286	50	37	b3lyp/6‐311++g(d	b3lyp/6‐311++g(d	PROPN
eurjchem-286	50	38	,	,	PUNCT
eurjchem-286	50	39	p	p	NOUN
eurjchem-286	50	40	)	)	PUNCT
eurjchem-286	50	41	method	method	NOUN
eurjchem-286	50	42	utilising	utilise	VERB
eurjchem-286	50	43	the	the	DET
eurjchem-286	50	44	program	program	NOUN
eurjchem-286	50	45	of	of	ADP
eurjchem-286	50	46	fuhrer	fuhrer	PROPN
eurjchem-286	50	47	et	et	PROPN
eurjchem-286	50	48	al	al	PROPN
eurjchem-286	50	49	.	.	PUNCT
eurjchem-286	51	1	[	[	X
eurjchem-286	51	2	37	37	NUM
eurjchem-286	51	3	]	]	SYM
eurjchem-286	51	4	.	.	PUNCT
eurjchem-286	52	1	3	3	X
eurjchem-286	52	2	.	.	NOUN
eurjchem-286	52	3	results	result	NOUN
eurjchem-286	52	4	and	and	CCONJ
eurjchem-286	52	5	discussion	discussion	NOUN
eurjchem-286	52	6	3.1	3.1	NUM
eurjchem-286	52	7	.	.	PUNCT
eurjchem-286	53	1	molecular	molecular	ADJ
eurjchem-286	53	2	geometry	geometry	NOUN
eurjchem-286	53	3	the	the	DET
eurjchem-286	53	4	molecular	molecular	ADJ
eurjchem-286	53	5	structure	structure	NOUN
eurjchem-286	53	6	and	and	CCONJ
eurjchem-286	53	7	atom	atom	NOUN
eurjchem-286	53	8	numbering	numbering	NOUN
eurjchem-286	53	9	scheme	scheme	NOUN
eurjchem-286	53	10	of	of	ADP
eurjchem-286	53	11	the	the	DET
eurjchem-286	53	12	compound	compound	NOUN
eurjchem-286	53	13	3mpa	3mpa	PROPN
eurjchem-286	53	14	under	under	ADP
eurjchem-286	53	15	investigation	investigation	NOUN
eurjchem-286	53	16	is	be	AUX
eurjchem-286	53	17	shown	show	VERB
eurjchem-286	53	18	in	in	ADP
eurjchem-286	53	19	figure	figure	NOUN
eurjchem-286	53	20	1	1	NUM
eurjchem-286	53	21	.	.	PUNCT
eurjchem-286	54	1	the	the	DET
eurjchem-286	54	2	geometry	geometry	NOUN
eurjchem-286	54	3	of	of	ADP
eurjchem-286	54	4	the	the	DET
eurjchem-286	54	5	molecule	molecule	NOUN
eurjchem-286	54	6	is	be	AUX
eurjchem-286	54	7	considered	consider	VERB
eurjchem-286	54	8	by	by	ADP
eurjchem-286	54	9	possessing	possess	VERB
eurjchem-286	54	10	cs	cs	PROPN
eurjchem-286	54	11	point	point	NOUN
eurjchem-286	54	12	group	group	NOUN
eurjchem-286	54	13	symmetry	symmetry	NOUN
eurjchem-286	54	14	.	.	PUNCT
eurjchem-286	55	1	the	the	DET
eurjchem-286	55	2	60	60	NUM
eurjchem-286	55	3	fundamental	fundamental	ADJ
eurjchem-286	55	4	vibrations	vibration	NOUN
eurjchem-286	55	5	of	of	ADP
eurjchem-286	55	6	3mpa	3mpa	NUM
eurjchem-286	55	7	span	span	VERB
eurjchem-286	55	8	the	the	DET
eurjchem-286	55	9	irreducible	irreducible	ADJ
eurjchem-286	55	10	representations	representation	NOUN
eurjchem-286	55	11	39a	39a	NOUN
eurjchem-286	56	1	+	+	CCONJ
eurjchem-286	56	2	21a.	21a.	NUM
eurjchem-286	56	3	all	all	DET
eurjchem-286	56	4	the	the	DET
eurjchem-286	56	5	vibrations	vibration	NOUN
eurjchem-286	56	6	are	be	AUX
eurjchem-286	56	7	active	active	ADJ
eurjchem-286	56	8	in	in	ADP
eurjchem-286	56	9	both	both	CCONJ
eurjchem-286	56	10	ir	ir	PROPN
eurjchem-286	56	11	and	and	CCONJ
eurjchem-286	56	12	raman	raman	NOUN
eurjchem-286	56	13	.	.	PUNCT
eurjchem-286	57	1	3.2	3.2	NUM
eurjchem-286	57	2	.	.	PUNCT
eurjchem-286	58	1	structural	structural	ADJ
eurjchem-286	58	2	properties	property	NOUN
eurjchem-286	58	3	the	the	DET
eurjchem-286	58	4	optimized	optimize	VERB
eurjchem-286	58	5	structural	structural	ADJ
eurjchem-286	58	6	parameters	parameter	NOUN
eurjchem-286	58	7	bond	bond	NOUN
eurjchem-286	58	8	lengths	length	NOUN
eurjchem-286	58	9	and	and	CCONJ
eurjchem-286	58	10	the	the	DET
eurjchem-286	58	11	bond	bond	NOUN
eurjchem-286	58	12	angles	angle	VERB
eurjchem-286	58	13	for	for	ADP
eurjchem-286	58	14	the	the	DET
eurjchem-286	58	15	thermodynamically	thermodynamically	ADV
eurjchem-286	58	16	preferred	preferred	ADJ
eurjchem-286	58	17	geometry	geometry	NOUN
eurjchem-286	58	18	of	of	ADP
eurjchem-286	58	19	3mpa	3mpa	PROPN
eurjchem-286	58	20	at	at	ADP
eurjchem-286	58	21	hf	hf	NOUN
eurjchem-286	58	22	and	and	CCONJ
eurjchem-286	58	23	b3lyp	b3lyp	NUM
eurjchem-286	58	24	levels	level	NOUN
eurjchem-286	58	25	with	with	ADP
eurjchem-286	58	26	6‐31g(d	6‐31g(d	NUM
eurjchem-286	58	27	,	,	PUNCT
eurjchem-286	58	28	p	p	NOUN
eurjchem-286	58	29	)	)	PUNCT
eurjchem-286	58	30	and	and	CCONJ
eurjchem-286	58	31	6‐	6‐	NUM
eurjchem-286	58	32	311++g(d	311++g(d	PROPN
eurjchem-286	58	33	,	,	PUNCT
eurjchem-286	58	34	p	p	NOUN
eurjchem-286	58	35	)	)	PUNCT
eurjchem-286	58	36	basis	basis	NOUN
eurjchem-286	58	37	sets	set	NOUN
eurjchem-286	58	38	are	be	AUX
eurjchem-286	58	39	presented	present	VERB
eurjchem-286	58	40	in	in	ADP
eurjchem-286	58	41	table	table	NOUN
eurjchem-286	58	42	1	1	NUM
eurjchem-286	58	43	in	in	ADP
eurjchem-286	58	44	accordance	accordance	NOUN
eurjchem-286	58	45	with	with	ADP
eurjchem-286	58	46	the	the	DET
eurjchem-286	58	47	atom	atom	NOUN
eurjchem-286	58	48	numbering	numbering	NOUN
eurjchem-286	58	49	scheme	scheme	NOUN
eurjchem-286	58	50	of	of	ADP
eurjchem-286	58	51	the	the	DET
eurjchem-286	58	52	molecules	molecule	NOUN
eurjchem-286	58	53	shown	show	VERB
eurjchem-286	58	54	in	in	ADP
eurjchem-286	58	55	figure	figure	NOUN
eurjchem-286	58	56	1	1	NUM
eurjchem-286	58	57	.	.	PUNCT
eurjchem-286	59	1	the	the	DET
eurjchem-286	59	2	bond	bond	NOUN
eurjchem-286	59	3	lengths	length	NOUN
eurjchem-286	59	4	between	between	ADP
eurjchem-286	59	5	the	the	DET
eurjchem-286	59	6	amide	amide	NOUN
eurjchem-286	59	7	nitrogen	nitrogen	NOUN
eurjchem-286	59	8	and	and	CCONJ
eurjchem-286	59	9	the	the	DET
eurjchem-286	59	10	aromatic	aromatic	ADJ
eurjchem-286	59	11	ring	ring	NOUN
eurjchem-286	59	12	,	,	PUNCT
eurjchem-286	59	13	c6‐n7	c6‐n7	NOUN
eurjchem-286	59	14	and	and	CCONJ
eurjchem-286	59	15	between	between	ADP
eurjchem-286	59	16	the	the	DET
eurjchem-286	59	17	amide	amide	NOUN
eurjchem-286	59	18	nitrogen	nitrogen	NOUN
eurjchem-286	59	19	and	and	CCONJ
eurjchem-286	59	20	the	the	DET
eurjchem-286	59	21	carbonyl	carbonyl	NOUN
eurjchem-286	59	22	carbon	carbon	NOUN
eurjchem-286	59	23	atom	atom	NOUN
eurjchem-286	59	24	,	,	PUNCT
eurjchem-286	59	25	n7‐c8	n7‐c8	NUM
eurjchem-286	59	26	given	give	VERB
eurjchem-286	59	27	in	in	ADP
eurjchem-286	59	28	table	table	NOUN
eurjchem-286	59	29	1	1	NUM
eurjchem-286	59	30	reflect	reflect	VERB
eurjchem-286	59	31	the	the	DET
eurjchem-286	59	32	changes	change	NOUN
eurjchem-286	59	33	in	in	ADP
eurjchem-286	59	34	conjugation	conjugation	NOUN
eurjchem-286	59	35	.	.	PUNCT
eurjchem-286	60	1	the	the	DET
eurjchem-286	60	2	adjacent	adjacent	ADJ
eurjchem-286	60	3	methyl	methyl	PROPN
eurjchem-286	60	4	group	group	NOUN
eurjchem-286	60	5	influence	influence	NOUN
eurjchem-286	60	6	on	on	ADP
eurjchem-286	60	7	the	the	DET
eurjchem-286	60	8	rotation	rotation	NOUN
eurjchem-286	60	9	of	of	ADP
eurjchem-286	60	10	acylamino	acylamino	NOUN
eurjchem-286	60	11	group	group	NOUN
eurjchem-286	60	12	.	.	PUNCT
eurjchem-286	61	1	the	the	DET
eurjchem-286	61	2	steric	steric	ADJ
eurjchem-286	61	3	interaction	interaction	NOUN
eurjchem-286	61	4	of	of	ADP
eurjchem-286	61	5	methyl	methyl	NOUN
eurjchem-286	61	6	substituent	substituent	NOUN
eurjchem-286	61	7	on	on	ADP
eurjchem-286	61	8	the	the	DET
eurjchem-286	61	9	ring	ring	NOUN
eurjchem-286	61	10	is	be	AUX
eurjchem-286	61	11	of	of	ADP
eurjchem-286	61	12	great	great	ADJ
eurjchem-286	61	13	importance	importance	NOUN
eurjchem-286	61	14	in	in	ADP
eurjchem-286	61	15	determining	determine	VERB
eurjchem-286	61	16	its	its	PRON
eurjchem-286	61	17	structural	structural	ADJ
eurjchem-286	61	18	and	and	CCONJ
eurjchem-286	61	19	vibrational	vibrational	ADJ
eurjchem-286	61	20	properties	property	NOUN
eurjchem-286	61	21	.	.	PUNCT
eurjchem-286	62	1	as	as	ADP
eurjchem-286	62	2	the	the	DET
eurjchem-286	62	3	steric	steric	ADJ
eurjchem-286	62	4	hindrance	hindrance	NOUN
eurjchem-286	62	5	increases	increase	NOUN
eurjchem-286	62	6	and	and	CCONJ
eurjchem-286	62	7	the	the	DET
eurjchem-286	62	8	plane	plane	NOUN
eurjchem-286	62	9	of	of	ADP
eurjchem-286	62	10	acylamino	acylamino	NOUN
eurjchem-286	62	11	group	group	NOUN
eurjchem-286	62	12	rotates	rotate	NOUN
eurjchem-286	62	13	,	,	PUNCT
eurjchem-286	62	14	the	the	DET
eurjchem-286	62	15	c6‐n7	c6‐n7	NOUN
eurjchem-286	62	16	bond	bond	NOUN
eurjchem-286	62	17	becomes	become	VERB
eurjchem-286	62	18	longer	long	ADV
eurjchem-286	62	19	and	and	CCONJ
eurjchem-286	62	20	the	the	DET
eurjchem-286	62	21	n7‐c8	n7‐c8	ADJ
eurjchem-286	62	22	bond	bond	NOUN
eurjchem-286	62	23	becomes	become	VERB
eurjchem-286	62	24	shorter	short	ADJ
eurjchem-286	62	25	.	.	PUNCT
eurjchem-286	63	1	the	the	DET
eurjchem-286	63	2	thermodynamic	thermodynamic	ADJ
eurjchem-286	63	3	parameters	parameter	NOUN
eurjchem-286	63	4	of	of	ADP
eurjchem-286	63	5	the	the	DET
eurjchem-286	63	6	compound	compound	NOUN
eurjchem-286	63	7	has	have	AUX
eurjchem-286	63	8	also	also	ADV
eurjchem-286	63	9	been	be	AUX
eurjchem-286	63	10	computed	compute	VERB
eurjchem-286	63	11	at	at	ADP
eurjchem-286	63	12	hf	hf	NOUN
eurjchem-286	63	13	and	and	CCONJ
eurjchem-286	63	14	b3lyp	b3lyp	NUM
eurjchem-286	63	15	methods	method	NOUN
eurjchem-286	63	16	with	with	ADP
eurjchem-286	63	17	6‐311++g(d	6‐311++g(d	NUM
eurjchem-286	63	18	,	,	PUNCT
eurjchem-286	63	19	p	p	NOUN
eurjchem-286	63	20	)	)	PUNCT
eurjchem-286	63	21	basis	basis	NOUN
eurjchem-286	63	22	sets	set	NOUN
eurjchem-286	63	23	and	and	CCONJ
eurjchem-286	63	24	are	be	AUX
eurjchem-286	63	25	presented	present	VERB
eurjchem-286	63	26	in	in	ADP
eurjchem-286	63	27	table	table	NOUN
eurjchem-286	63	28	2	2	NUM
eurjchem-286	63	29	.	.	PUNCT
eurjchem-286	64	1	the	the	DET
eurjchem-286	64	2	calculated	calculate	VERB
eurjchem-286	64	3	scf	scf	PROPN
eurjchem-286	64	4	energy	energy	NOUN
eurjchem-286	64	5	and	and	CCONJ
eurjchem-286	64	6	entropy	entropy	NOUN
eurjchem-286	64	7	of	of	ADP
eurjchem-286	64	8	the	the	DET
eurjchem-286	64	9	compounds	compound	NOUN
eurjchem-286	64	10	clearly	clearly	ADV
eurjchem-286	64	11	indicates	indicate	VERB
eurjchem-286	64	12	that	that	SCONJ
eurjchem-286	64	13	3mpa	3mpa	PROPN
eurjchem-286	64	14	is	be	AUX
eurjchem-286	64	15	more	more	ADV
eurjchem-286	64	16	stable	stable	ADJ
eurjchem-286	64	17	than	than	ADP
eurjchem-286	64	18	2mpa	2mpa	PROPN
eurjchem-286	64	19	[	[	X
eurjchem-286	64	20	29	29	NUM
eurjchem-286	64	21	]	]	PUNCT
eurjchem-286	64	22	.	.	PUNCT
eurjchem-286	65	1	the	the	DET
eurjchem-286	65	2	bond	bond	NOUN
eurjchem-286	65	3	length	length	NOUN
eurjchem-286	65	4	of	of	ADP
eurjchem-286	65	5	the	the	DET
eurjchem-286	65	6	compounds	compound	NOUN
eurjchem-286	65	7	3mpa	3mpa	PROPN
eurjchem-286	65	8	determined	determine	VERB
eurjchem-286	65	9	at	at	ADP
eurjchem-286	65	10	the	the	DET
eurjchem-286	65	11	dft	dft	PROPN
eurjchem-286	65	12	level	level	NOUN
eurjchem-286	65	13	of	of	ADP
eurjchem-286	65	14	theory	theory	NOUN
eurjchem-286	65	15	is	be	AUX
eurjchem-286	65	16	in	in	ADP
eurjchem-286	65	17	good	good	ADJ
eurjchem-286	65	18	agreement	agreement	NOUN
eurjchem-286	65	19	with	with	ADP
eurjchem-286	65	20	the	the	DET
eurjchem-286	65	21	structural	structural	ADJ
eurjchem-286	65	22	parameters	parameter	NOUN
eurjchem-286	65	23	of	of	ADP
eurjchem-286	65	24	n‐phenylacetamide	n‐phenylacetamide	NUM
eurjchem-286	66	1	[	[	X
eurjchem-286	66	2	38	38	NUM
eurjchem-286	66	3	]	]	PUNCT
eurjchem-286	66	4	.	.	PUNCT
eurjchem-286	67	1	c1	c1	PROPN
eurjchem-286	67	2	c2	c2	PROPN
eurjchem-286	67	3	c3	c3	PROPN
eurjchem-286	67	4	c4	c4	PROPN
eurjchem-286	67	5	c5	c5	PROPN
eurjchem-286	67	6	c6	c6	PROPN
eurjchem-286	67	7	c17	c17	PROPN
eurjchem-286	67	8	n7	n7	PROPN
eurjchem-286	67	9	c8	c8	PROPN
eurjchem-286	67	10	h18	h18	PROPN
eurjchem-286	67	11	c9	c9	PROPN
eurjchem-286	67	12	o10	o10	PROPN
eurjchem-286	67	13	h15	h15	PROPN
eurjchem-286	67	14	h14	h14	PROPN
eurjchem-286	67	15	h13	h13	NOUN
eurjchem-286	67	16	h16	h16	PROPN
eurjchem-286	67	17	h20h21	h20h21	PROPN
eurjchem-286	67	18	h22	h22	PROPN
eurjchem-286	67	19	h19	h19	PROPN
eurjchem-286	67	20	cl11	cl11	PROPN
eurjchem-286	67	21	cl12	cl12	PROPN
eurjchem-286	67	22	figure	figure	NOUN
eurjchem-286	67	23	1	1	NUM
eurjchem-286	67	24	.	.	PUNCT
eurjchem-286	67	25	molecular	molecular	ADJ
eurjchem-286	67	26	structure	structure	NOUN
eurjchem-286	67	27	and	and	CCONJ
eurjchem-286	67	28	atom	atom	NOUN
eurjchem-286	67	29	numbering	numbering	NOUN
eurjchem-286	67	30	of	of	ADP
eurjchem-286	67	31	n‐(3‐methylphenyl)‐	n‐(3‐methylphenyl)‐	NOUN
eurjchem-286	67	32	2,2‐dichloroacetamide	2,2‐dichloroacetamide	NUM
eurjchem-286	67	33	.	.	PUNCT
eurjchem-286	68	1	3.3	3.3	NUM
eurjchem-286	68	2	.	.	PUNCT
eurjchem-286	69	1	vibrational	vibrational	ADJ
eurjchem-286	69	2	analysis	analysis	NOUN
eurjchem-286	69	3	the	the	DET
eurjchem-286	69	4	ft‐ir	ft‐ir	NOUN
eurjchem-286	69	5	and	and	CCONJ
eurjchem-286	69	6	ft‐raman	ft‐raman	ADJ
eurjchem-286	69	7	spectra	spectra	NOUN
eurjchem-286	69	8	of	of	ADP
eurjchem-286	69	9	n‐(3‐methylphenyl)‐	n‐(3‐methylphenyl)‐	NOUN
eurjchem-286	69	10	2,2‐dichloroacetamide	2,2‐dichloroacetamide	NUM
eurjchem-286	69	11	are	be	AUX
eurjchem-286	69	12	shown	show	VERB
eurjchem-286	69	13	in	in	ADP
eurjchem-286	69	14	figures	figure	NOUN
eurjchem-286	69	15	2	2	NUM
eurjchem-286	69	16	and	and	CCONJ
eurjchem-286	69	17	3	3	NUM
eurjchem-286	69	18	.	.	X
eurjchem-286	70	1	all	all	DET
eurjchem-286	70	2	the	the	DET
eurjchem-286	70	3	observed	observed	ADJ
eurjchem-286	70	4	wavenumbers	wavenumber	NOUN
eurjchem-286	70	5	are	be	AUX
eurjchem-286	70	6	assigned	assign	VERB
eurjchem-286	70	7	in	in	ADP
eurjchem-286	70	8	terms	term	NOUN
eurjchem-286	70	9	of	of	ADP
eurjchem-286	70	10	fundamentals	fundamental	NOUN
eurjchem-286	70	11	,	,	PUNCT
eurjchem-286	70	12	overtones	overtone	NOUN
eurjchem-286	70	13	and	and	CCONJ
eurjchem-286	70	14	combination	combination	NOUN
eurjchem-286	70	15	bands	band	NOUN
eurjchem-286	70	16	.	.	PUNCT
eurjchem-286	71	1	the	the	DET
eurjchem-286	71	2	observed	observe	VERB
eurjchem-286	71	3	and	and	CCONJ
eurjchem-286	71	4	calculated	calculated	ADJ
eurjchem-286	71	5	frequencies	frequency	NOUN
eurjchem-286	71	6	by	by	ADP
eurjchem-286	71	7	ab	ab	PROPN
eurjchem-286	71	8	initio	initio	PROPN
eurjchem-286	71	9	and	and	CCONJ
eurjchem-286	71	10	dft	dft	PROPN
eurjchem-286	71	11	methods	method	NOUN
eurjchem-286	71	12	along	along	ADP
eurjchem-286	71	13	with	with	ADP
eurjchem-286	71	14	their	their	PRON
eurjchem-286	71	15	relative	relative	ADJ
eurjchem-286	71	16	intensities	intensity	NOUN
eurjchem-286	71	17	,	,	PUNCT
eurjchem-286	71	18	probable	probable	ADJ
eurjchem-286	71	19	assignments	assignment	NOUN
eurjchem-286	71	20	,	,	PUNCT
eurjchem-286	71	21	depolarization	depolarization	NOUN
eurjchem-286	71	22	ratios	ratio	NOUN
eurjchem-286	71	23	and	and	CCONJ
eurjchem-286	71	24	potential	potential	ADJ
eurjchem-286	71	25	energy	energy	NOUN
eurjchem-286	71	26	distributions	distribution	NOUN
eurjchem-286	71	27	(	(	PUNCT
eurjchem-286	71	28	ped	ped	NOUN
eurjchem-286	71	29	)	)	PUNCT
eurjchem-286	71	30	of	of	ADP
eurjchem-286	71	31	3mpa	3mpa	PROPN
eurjchem-286	71	32	are	be	AUX
eurjchem-286	71	33	summarized	summarize	VERB
eurjchem-286	71	34	in	in	ADP
eurjchem-286	71	35	tables	table	NOUN
eurjchem-286	71	36	3	3	NUM
eurjchem-286	71	37	and	and	CCONJ
eurjchem-286	71	38	4	4	NUM
eurjchem-286	71	39	.	.	X
eurjchem-286	71	40	figure	figure	NOUN
eurjchem-286	71	41	2	2	NUM
eurjchem-286	71	42	.	.	PUNCT
eurjchem-286	71	43	ft‐ir	ft‐ir	NOUN
eurjchem-286	71	44	and	and	CCONJ
eurjchem-286	71	45	theoretical	theoretical	ADJ
eurjchem-286	71	46	spectra	spectra	NOUN
eurjchem-286	71	47	of	of	ADP
eurjchem-286	71	48	n‐(3‐methylphenyl)‐2,2‐	n‐(3‐methylphenyl)‐2,2‐	PROPN
eurjchem-286	71	49	dichloroacetamide	dichloroacetamide	NOUN
eurjchem-286	71	50	.	.	PUNCT
eurjchem-286	72	1	72	72	NUM
eurjchem-286	72	2	arjunan	arjunan	NOUN
eurjchem-286	72	3	et	et	PROPN
eurjchem-286	72	4	al	al	PROPN
eurjchem-286	72	5	.	.	PUNCT
eurjchem-286	72	6	/	/	SYM
eurjchem-286	72	7	european	european	PROPN
eurjchem-286	72	8	journal	journal	PROPN
eurjchem-286	72	9	of	of	ADP
eurjchem-286	72	10	chemistry	chemistry	NOUN
eurjchem-286	72	11	2	2	NUM
eurjchem-286	72	12	(	(	PUNCT
eurjchem-286	72	13	1	1	NUM
eurjchem-286	72	14	)	)	PUNCT
eurjchem-286	72	15	(	(	PUNCT
eurjchem-286	72	16	2011	2011	NUM
eurjchem-286	72	17	)	)	PUNCT
eurjchem-286	72	18	70‐76	70‐76	NOUN
eurjchem-286	72	19	table	table	NOUN
eurjchem-286	72	20	1	1	NUM
eurjchem-286	72	21	.	.	PUNCT
eurjchem-286	72	22	structural	structural	ADJ
eurjchem-286	72	23	parameters	parameter	NOUN
eurjchem-286	72	24	calculated	calculate	VERB
eurjchem-286	72	25	for	for	ADP
eurjchem-286	72	26	n‐(3‐methylphenyl)‐2,2‐dichloroacetamide	n‐(3‐methylphenyl)‐2,2‐dichloroacetamide	ADV
eurjchem-286	72	27	employing	employ	VERB
eurjchem-286	72	28	hf	hf	NOUN
eurjchem-286	72	29	and	and	CCONJ
eurjchem-286	72	30	b3lyp	b3lyp	NUM
eurjchem-286	72	31	methods	method	NOUN
eurjchem-286	72	32	with	with	ADP
eurjchem-286	72	33	6–311++g(d	6–311++g(d	PROPN
eurjchem-286	72	34	,	,	PUNCT
eurjchem-286	72	35	p	p	NOUN
eurjchem-286	72	36	)	)	PUNCT
eurjchem-286	72	37	and	and	CCONJ
eurjchem-286	72	38	6–31g(d	6–31g(d	NOUN
eurjchem-286	72	39	,	,	PUNCT
eurjchem-286	72	40	p	p	NOUN
eurjchem-286	72	41	)	)	PUNCT
eurjchem-286	72	42	basis	basis	NOUN
eurjchem-286	72	43	sets	set	NOUN
eurjchem-286	72	44	.	.	PUNCT
eurjchem-286	73	1	structural	structural	ADJ
eurjchem-286	73	2	parameters	parameter	NOUN
eurjchem-286	73	3	n‐(3‐methylphenyl)‐2,2‐dichloroacetamide	n‐(3‐methylphenyl)‐2,2‐dichloroacetamide	ADP
eurjchem-286	73	4	hf	hf	PROPN
eurjchem-286	73	5	6–311++g(d	6–311++g(d	PROPN
eurjchem-286	73	6	,	,	PUNCT
eurjchem-286	73	7	p	p	NOUN
eurjchem-286	73	8	)	)	PUNCT
eurjchem-286	73	9	b3lyp	b3lyp	SYM
eurjchem-286	74	1	6–311++g(d	6–311++g(d	NOUN
eurjchem-286	74	2	,	,	PUNCT
eurjchem-286	74	3	p	p	NOUN
eurjchem-286	74	4	)	)	PUNCT
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eurjchem-286	74	7	,	,	PUNCT
eurjchem-286	74	8	p	p	X
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eurjchem-286	75	2	,	,	PUNCT
eurjchem-286	75	3	p	p	NOUN
eurjchem-286	75	4	)	)	PUNCT
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eurjchem-286	75	9	(	(	PUNCT
eurjchem-286	75	10	å	å	NOUN
eurjchem-286	75	11	)	)	PUNCT
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eurjchem-286	75	15	1.383	1.383	NUM
eurjchem-286	75	16	1.393	1.393	NUM
eurjchem-286	75	17	1.384	1.384	NUM
eurjchem-286	75	18	c2‐c3	c2‐c3	NOUN
eurjchem-286	75	19	1.384	1.384	NUM
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eurjchem-286	75	21	1.384	1.384	NUM
eurjchem-286	75	22	1.395	1.395	NUM
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eurjchem-286	75	24	c3‐c4	c3‐c4	NOUN
eurjchem-286	75	25	1.388	1.388	NUM
eurjchem-286	75	26	1.398	1.398	NUM
eurjchem-286	75	27	1.388	1.388	NUM
eurjchem-286	75	28	1.400	1.400	NUM
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eurjchem-286	75	30	c4‐c5	c4‐c5	NOUN
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eurjchem-286	75	32	1.395	1.395	NUM
eurjchem-286	75	33	1.388	1.388	NUM
eurjchem-286	75	34	1.398	1.398	NUM
eurjchem-286	75	35	1.379	1.379	NUM
eurjchem-286	75	36	c5‐c6	c5‐c6	NOUN
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eurjchem-286	75	38	1.399	1.399	NUM
eurjchem-286	75	39	1.389	1.389	NUM
eurjchem-286	75	40	1.401	1.401	NUM
eurjchem-286	75	41	1.397	1.397	NUM
eurjchem-286	75	42	c6‐c1	c6‐c1	NOUN
eurjchem-286	75	43	1.389	1.389	NUM
eurjchem-286	75	44	1.400	1.400	NUM
eurjchem-286	75	45	1.390	1.390	NUM
eurjchem-286	75	46	1.402	1.402	NUM
eurjchem-286	75	47	1.391	1.391	NUM
eurjchem-286	75	48	c6‐n7	c6‐n7	NOUN
eurjchem-286	75	49	1.413	1.413	NUM
eurjchem-286	75	50	1.415	1.415	NUM
eurjchem-286	75	51	1.413	1.413	NUM
eurjchem-286	75	52	1.415	1.415	NUM
eurjchem-286	75	53	1.413	1.413	NUM
eurjchem-286	75	54	n7‐c8	n7‐c8	NUM
eurjchem-286	75	55	1.346	1.346	NUM
eurjchem-286	75	56	1.359	1.359	NUM
eurjchem-286	75	57	1.346	1.346	NUM
eurjchem-286	75	58	1.360	1.360	NUM
eurjchem-286	75	59	1.354	1.354	NUM
eurjchem-286	75	60	c8‐c9	c8‐c9	NUM
eurjchem-286	76	1	1.537	1.537	NUM
eurjchem-286	76	2	1.542	1.542	NUM
eurjchem-286	76	3	1.537	1.537	NUM
eurjchem-286	76	4	1.544	1.544	NUM
eurjchem-286	76	5	1.495	1.495	NUM
eurjchem-286	76	6	c8‐o10	c8‐o10	VERB
eurjchem-286	76	7	1.189	1.189	NUM
eurjchem-286	76	8	1.216	1.216	NUM
eurjchem-286	76	9	1.194	1.194	NUM
eurjchem-286	76	10	1.221	1.221	NUM
eurjchem-286	76	11	1.219	1.219	NUM
eurjchem-286	76	12	c4‐c17	c4‐c17	NOUN
eurjchem-286	76	13	1.511	1.511	NUM
eurjchem-286	76	14	1.510	1.510	NUM
eurjchem-286	76	15	1.511	1.511	NUM
eurjchem-286	76	16	1.511	1.511	NUM
eurjchem-286	76	17	c9‐cla	c9‐cla	ADP
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eurjchem-286	76	19	1.804	1.804	NUM
eurjchem-286	76	20	1.776	1.776	NUM
eurjchem-286	76	21	1.806	1.806	NUM
eurjchem-286	76	22	c‐h	c‐h	PROPN
eurjchem-286	76	23	(	(	PUNCT
eurjchem-286	76	24	ring)a	ring)a	NOUN
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eurjchem-286	76	26	1.084	1.084	NUM
eurjchem-286	76	27	1.075	1.075	NUM
eurjchem-286	76	28	1.085	1.085	NUM
eurjchem-286	76	29	c17‐h	c17‐h	NOUN
eurjchem-286	77	1	(	(	PUNCT
eurjchem-286	77	2	methyl)a	methyl)a	PROPN
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eurjchem-286	77	4	1.093	1.093	NUM
eurjchem-286	77	5	1.084	1.084	NUM
eurjchem-286	77	6	1.093	1.093	NUM
eurjchem-286	77	7	n7‐h18	n7‐h18	ADP
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eurjchem-286	77	9	1.011	1.011	NUM
eurjchem-286	77	10	0.994	0.994	NUM
eurjchem-286	77	11	1.012	1.012	NUM
eurjchem-286	77	12	c9‐h19	c9‐h19	PROPN
eurjchem-286	77	13	1.072	1.072	NUM
eurjchem-286	77	14	1.083	1.083	NUM
eurjchem-286	77	15	1.073	1.073	NUM
eurjchem-286	77	16	1.086	1.086	NUM
eurjchem-286	77	17	bond	bond	NOUN
eurjchem-286	77	18	angle	angle	NOUN
eurjchem-286	77	19	(	(	PUNCT
eurjchem-286	77	20	o	o	NOUN
eurjchem-286	77	21	)	)	PUNCT
eurjchem-286	78	1	c2‐c1‐c6	c2‐c1‐c6	PROPN
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eurjchem-286	78	3	118.573	118.573	NUM
eurjchem-286	78	4	118.525	118.525	NUM
eurjchem-286	78	5	118.539	118.539	NUM
eurjchem-286	78	6	c2‐c1‐h13	c2‐c1‐h13	NOUN
eurjchem-286	78	7	120.684	120.684	NUM
eurjchem-286	78	8	121.207	121.207	NUM
eurjchem-286	78	9	120.812	120.812	NUM
eurjchem-286	78	10	121.477	121.477	NUM
eurjchem-286	78	11	c6‐c1‐h13	c6‐c1‐h13	PROPN
eurjchem-286	78	12	120.801	120.801	NUM
eurjchem-286	78	13	120.220	120.220	NUM
eurjchem-286	78	14	120.662	120.662	NUM
eurjchem-286	78	15	119.984	119.984	NUM
eurjchem-286	78	16	c1‐c2‐c3	c1‐c2‐c3	PROPN
eurjchem-286	78	17	121.620	121.620	NUM
eurjchem-286	78	18	121.392	121.392	NUM
eurjchem-286	78	19	121.605	121.605	NUM
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eurjchem-286	78	21	c1‐c2‐h14	c1‐c2‐h14	NOUN
eurjchem-286	78	22	118.787	118.787	NUM
eurjchem-286	78	23	118.908	118.908	NUM
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eurjchem-286	78	25	118.927	118.927	NUM
eurjchem-286	78	26	c3‐c2‐h14	c3‐c2‐h14	NOUN
eurjchem-286	78	27	119.595	119.595	NUM
eurjchem-286	78	28	119.701	119.701	NUM
eurjchem-286	78	29	119.605	119.605	NUM
eurjchem-286	78	30	119.687	119.687	NUM
eurjchem-286	78	31	c2‐c3‐c4	c2‐c3‐c4	PROPN
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eurjchem-286	78	33	120.382	120.382	NUM
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eurjchem-286	78	36	c2‐c3‐h15	c2‐c3‐h15	NOUN
eurjchem-286	78	37	119.914	119.914	NUM
eurjchem-286	78	38	119.959	119.959	NUM
eurjchem-286	78	39	119.944	119.944	NUM
eurjchem-286	78	40	120.020	120.020	NUM
eurjchem-286	78	41	c4‐c3‐h15	c4‐c3‐h15	PROPN
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eurjchem-286	78	43	119.659	119.659	NUM
eurjchem-286	78	44	120.999	120.999	NUM
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eurjchem-286	78	46	c3‐c4‐c5	c3‐c4‐c5	PROPN
eurjchem-286	78	47	118.488	118.488	NUM
eurjchem-286	78	48	118.319	118.319	NUM
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eurjchem-286	78	50	118.365	118.365	NUM
eurjchem-286	78	51	c3‐c4‐c17	c3‐c4‐c17	ADP
eurjchem-286	78	52	121.442	121.442	NUM
eurjchem-286	78	53	121.383	121.383	NUM
eurjchem-286	78	54	121.448	121.448	NUM
eurjchem-286	78	55	121.374	121.374	NUM
eurjchem-286	78	56	c5‐c4‐c17	c5‐c4‐c17	ADP
eurjchem-286	78	57	120.070	120.070	NUM
eurjchem-286	78	58	120.298	120.298	NUM
eurjchem-286	78	59	120.030	120.030	NUM
eurjchem-286	78	60	120.261	120.261	NUM
eurjchem-286	78	61	c4‐c5‐c6	c4‐c5‐c6	PROPN
eurjchem-286	78	62	121.414	121.414	NUM
eurjchem-286	78	63	121.357	121.357	NUM
eurjchem-286	78	64	121.356	121.356	NUM
eurjchem-286	78	65	121.267	121.267	NUM
eurjchem-286	78	66	c4‐c5‐h16	c4‐c5‐h16	NOUN
eurjchem-286	78	67	119.218	119.218	NUM
eurjchem-286	78	68	119.322	119.322	NUM
eurjchem-286	78	69	119.213	119.213	NUM
eurjchem-286	78	70	119.338	119.338	NUM
eurjchem-286	78	71	c6‐c5‐h16	c6‐c5‐h16	PROPN
eurjchem-286	78	72	119.369	119.369	NUM
eurjchem-286	78	73	119.321	119.321	NUM
eurjchem-286	78	74	119.431	119.431	NUM
eurjchem-286	78	75	119.395	119.395	NUM
eurjchem-286	78	76	c1‐c6‐c5	c1‐c6‐c5	PROPN
eurjchem-286	78	77	119.918	119.918	NUM
eurjchem-286	78	78	119.977	119.977	NUM
eurjchem-286	78	79	119.935	119.935	NUM
eurjchem-286	78	80	120.057	120.057	NUM
eurjchem-286	78	81	c1‐c6‐n7	c1‐c6‐n7	PROPN
eurjchem-286	78	82	123.591	123.591	NUM
eurjchem-286	78	83	123.198	123.198	NUM
eurjchem-286	78	84	123.531	123.531	NUM
eurjchem-286	78	85	123.055	123.055	NUM
eurjchem-286	78	86	c5‐c6‐n7	c5‐c6‐n7	PROPN
eurjchem-286	78	87	116.491	116.491	NUM
eurjchem-286	78	88	116.825	116.825	NUM
eurjchem-286	78	89	116.534	116.534	NUM
eurjchem-286	78	90	116.888	116.888	NUM
eurjchem-286	78	91	c6‐n7‐h18	c6‐n7‐h18	PROPN
eurjchem-286	78	92	114.908	114.908	NUM
eurjchem-286	78	93	115.086	115.086	NUM
eurjchem-286	78	94	115.020	115.020	NUM
eurjchem-286	78	95	115.266	115.266	NUM
eurjchem-286	78	96	c6‐n7‐c8	c6‐n7‐c8	PROPN
eurjchem-286	78	97	128.813	128.813	NUM
eurjchem-286	78	98	129.006	129.006	NUM
eurjchem-286	78	99	128.633	128.633	NUM
eurjchem-286	78	100	128.717	128.717	NUM
eurjchem-286	78	101	h18‐n7‐c8	h18‐n7‐c8	PROPN
eurjchem-286	78	102	116.279	116.279	NUM
eurjchem-286	78	103	115.908	115.908	NUM
eurjchem-286	78	104	116.348	116.348	NUM
eurjchem-286	78	105	116.017	116.017	NUM
eurjchem-286	78	106	o10‐c8‐n7	o10‐c8‐n7	NOUN
eurjchem-286	78	107	126.956	126.956	NUM
eurjchem-286	78	108	126.867	126.867	NUM
eurjchem-286	78	109	127.031	127.031	NUM
eurjchem-286	78	110	127.038	127.038	NUM
eurjchem-286	78	111	o10‐c8‐c9	o10‐c8‐c9	PROPN
eurjchem-286	78	112	117.842	117.842	NUM
eurjchem-286	78	113	118.222	118.222	NUM
eurjchem-286	78	114	117.702	117.702	NUM
eurjchem-286	78	115	118.095	118.095	NUM
eurjchem-286	78	116	n7‐c8‐c9	n7‐c8‐c9	PROPN
eurjchem-286	78	117	115.202	115.202	NUM
eurjchem-286	78	118	114.911	114.911	NUM
eurjchem-286	78	119	115.267	115.267	NUM
eurjchem-286	78	120	114.867	114.867	NUM
eurjchem-286	78	121	c8‐c9‐cl11	c8‐c9‐cl11	PROPN
eurjchem-286	78	122	111.513	111.513	NUM
eurjchem-286	78	123	111.701	111.701	NUM
eurjchem-286	78	124	111.571	111.571	NUM
eurjchem-286	78	125	111.642	111.642	NUM
eurjchem-286	78	126	c8‐c9‐cl12	c8‐c9‐cl12	NUM
eurjchem-286	78	127	111.510	111.510	NUM
eurjchem-286	78	128	111.697	111.697	NUM
eurjchem-286	78	129	111.566	111.566	NUM
eurjchem-286	78	130	111.639	111.639	NUM
eurjchem-286	78	131	c8‐c9‐h19	c8‐c9‐h19	PROPN
eurjchem-286	78	132	107.290	107.290	NUM
eurjchem-286	78	133	107.642	107.642	NUM
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eurjchem-286	78	135	107.460	107.460	NUM
eurjchem-286	78	136	cl11‐c9‐cl12	cl11‐c9‐cl12	NOUN
eurjchem-286	78	137	111.029	111.029	NUM
eurjchem-286	78	138	110.955	110.955	NUM
eurjchem-286	78	139	111.098	111.098	NUM
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eurjchem-286	78	141	cl11‐c9‐h19	cl11‐c9‐h19	PROPN
eurjchem-286	78	142	107.635	107.635	NUM
eurjchem-286	78	143	107.293	107.293	NUM
eurjchem-286	78	144	107.690	107.690	NUM
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eurjchem-286	78	147	107.635	107.635	NUM
eurjchem-286	78	148	107.292	107.292	NUM
eurjchem-286	78	149	107.689	107.689	NUM
eurjchem-286	78	150	107.443	107.443	NUM
eurjchem-286	78	151	c4‐c17‐h20	c4‐c17‐h20	ADP
eurjchem-286	78	152	111.071	111.071	NUM
eurjchem-286	78	153	111.190	111.190	NUM
eurjchem-286	78	154	111.172	111.172	NUM
eurjchem-286	78	155	111.278	111.278	NUM
eurjchem-286	78	156	c4‐c17‐h22	c4‐c17‐h22	NOUN
eurjchem-286	78	157	110.961	110.961	NUM
eurjchem-286	78	158	111.243	111.243	NUM
eurjchem-286	78	159	111.074	111.074	NUM
eurjchem-286	78	160	111.364	111.364	NUM
eurjchem-286	78	161	c4‐c17‐h21	c4‐c17‐h21	VERB
eurjchem-286	78	162	110.967	110.967	NUM
eurjchem-286	78	163	111.250	111.250	NUM
eurjchem-286	78	164	111.080	111.080	NUM
eurjchem-286	78	165	111.369	111.369	NUM
eurjchem-286	78	166	h20‐c17‐h22	h20‐c17‐h22	PRON
eurjchem-286	78	167	107.985	107.985	NUM
eurjchem-286	78	168	107.890	107.890	NUM
eurjchem-286	78	169	107.894	107.894	NUM
eurjchem-286	78	170	107.754	107.754	NUM
eurjchem-286	78	171	h20‐c17‐h21	h20‐c17‐h21	VERB
eurjchem-286	78	172	107.989	107.989	NUM
eurjchem-286	78	173	107.826	107.826	NUM
eurjchem-286	78	174	107.898	107.898	NUM
eurjchem-286	78	175	107.762	107.762	NUM
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eurjchem-286	78	177	107.727	107.727	NUM
eurjchem-286	78	178	107.332	107.332	NUM
eurjchem-286	78	179	107.563	107.563	NUM
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eurjchem-286	78	191	c4‐c5‐c6‐n7	c4‐c5‐c6‐n7	VERB
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eurjchem-286	78	194	180.000	180.000	NUM
eurjchem-286	78	195	180.000	180.000	NUM
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eurjchem-286	78	197	179.998	179.998	NUM
eurjchem-286	78	198	180.000	180.000	NUM
eurjchem-286	78	199	179.998	179.998	NUM
eurjchem-286	78	200	180.000	180.000	NUM
eurjchem-286	78	201	c1‐c6‐n7‐c8	c1‐c6‐n7‐c8	SYM
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eurjchem-286	78	204	0.005	0.005	NUM
eurjchem-286	78	205	0.002	0.002	NUM
eurjchem-286	78	206	c5‐c6‐n7‐h18	c5‐c6‐n7‐h18	NOUN
eurjchem-286	78	207	0.004	0.004	NUM
eurjchem-286	78	208	0.003	0.003	NUM
eurjchem-286	78	209	0.003	0.003	NUM
eurjchem-286	78	210	0.002	0.002	NUM
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eurjchem-286	78	218	0.001	0.001	NUM
eurjchem-286	78	219	0.002	0.002	NUM
eurjchem-286	78	220	0.002	0.002	NUM
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eurjchem-286	79	5	h18‐n7‐c8‐o10	h18‐n7‐c8‐o10	PROPN
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eurjchem-286	80	2	‐180.000	‐180.000	NUM
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eurjchem-286	81	1	‐179.996	‐179.996	NOUN
eurjchem-286	81	2	a	a	DET
eurjchem-286	81	3	mean	mean	ADJ
eurjchem-286	81	4	value	value	NOUN
eurjchem-286	81	5	;	;	PUNCT
eurjchem-286	81	6	b	b	X
eurjchem-286	81	7	values	value	NOUN
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eurjchem-286	81	9	from	from	ADP
eurjchem-286	81	10	ref	ref	NOUN
eurjchem-286	81	11	.	.	PUNCT
eurjchem-286	82	1	[	[	X
eurjchem-286	82	2	38	38	NUM
eurjchem-286	82	3	]	]	PUNCT
eurjchem-286	82	4	.	.	PUNCT
eurjchem-286	82	5	3.3.1	3.3.1	X
eurjchem-286	82	6	.	.	PUNCT
eurjchem-286	82	7	carbon‐carbon	carbon‐carbon	NOUN
eurjchem-286	82	8	vibrations	vibration	VERB
eurjchem-286	82	9	the	the	DET
eurjchem-286	82	10	c‐c	c‐c	NOUN
eurjchem-286	82	11	stretching	stretching	NOUN
eurjchem-286	82	12	modes	mode	NOUN
eurjchem-286	82	13	of	of	ADP
eurjchem-286	82	14	3mpa	3mpa	PROPN
eurjchem-286	82	15	are	be	AUX
eurjchem-286	82	16	assigned	assign	VERB
eurjchem-286	82	17	to	to	ADP
eurjchem-286	82	18	the	the	DET
eurjchem-286	82	19	bands	band	NOUN
eurjchem-286	82	20	observed	observe	VERB
eurjchem-286	82	21	at	at	ADP
eurjchem-286	82	22	1595	1595	NUM
eurjchem-286	82	23	,	,	PUNCT
eurjchem-286	82	24	1432	1432	NUM
eurjchem-286	82	25	,	,	PUNCT
eurjchem-286	82	26	1410	1410	NUM
eurjchem-286	82	27	and	and	CCONJ
eurjchem-286	82	28	1357	1357	NUM
eurjchem-286	82	29	cm‐1	cm‐1	NOUN
eurjchem-286	82	30	in	in	ADP
eurjchem-286	82	31	the	the	DET
eurjchem-286	82	32	raman	raman	NOUN
eurjchem-286	82	33	spectrum	spectrum	NOUN
eurjchem-286	82	34	.	.	PUNCT
eurjchem-286	83	1	the	the	DET
eurjchem-286	83	2	c‐c	c‐c	NOUN
eurjchem-286	83	3	stretching	stretch	VERB
eurjchem-286	83	4	modes	mode	NOUN
eurjchem-286	83	5	of	of	ADP
eurjchem-286	83	6	3mpa	3mpa	PROPN
eurjchem-286	83	7	is	be	AUX
eurjchem-286	83	8	observed	observe	VERB
eurjchem-286	83	9	in	in	ADP
eurjchem-286	83	10	the	the	DET
eurjchem-286	83	11	range	range	NOUN
eurjchem-286	83	12	1595‐1357	1595‐1357	NUM
eurjchem-286	83	13	cm‐1	cm‐1	NOUN
eurjchem-286	83	14	while	while	SCONJ
eurjchem-286	83	15	in	in	ADP
eurjchem-286	83	16	the	the	DET
eurjchem-286	83	17	case	case	NOUN
eurjchem-286	83	18	of	of	ADP
eurjchem-286	83	19	2mpa	2mpa	PROPN
eurjchem-286	83	20	and	and	CCONJ
eurjchem-286	83	21	4mpa	4mpa	NUM
eurjchem-286	83	22	these	these	PRON
eurjchem-286	83	23	are	be	AUX
eurjchem-286	83	24	obtained	obtain	VERB
eurjchem-286	83	25	in	in	ADP
eurjchem-286	83	26	the	the	DET
eurjchem-286	83	27	range	range	NOUN
eurjchem-286	83	28	1644‐1382	1644‐1382	NUM
eurjchem-286	83	29	cm‐1	cm‐1	NOUN
eurjchem-286	83	30	and	and	CCONJ
eurjchem-286	83	31	1642‐1307	1642‐1307	NUM
eurjchem-286	83	32	cm‐1	cm‐1	NOUN
eurjchem-286	83	33	,	,	PUNCT
eurjchem-286	83	34	respectively	respectively	ADV
eurjchem-286	83	35	[	[	X
eurjchem-286	83	36	29	29	NUM
eurjchem-286	83	37	]	]	PUNCT
eurjchem-286	83	38	.	.	PUNCT
eurjchem-286	84	1	the	the	DET
eurjchem-286	84	2	vibrational	vibrational	ADJ
eurjchem-286	84	3	frequencies	frequency	NOUN
eurjchem-286	84	4	observed	observe	VERB
eurjchem-286	84	5	in	in	ADP
eurjchem-286	84	6	the	the	DET
eurjchem-286	84	7	raman	raman	NOUN
eurjchem-286	84	8	spectrum	spectrum	NOUN
eurjchem-286	84	9	of	of	ADP
eurjchem-286	84	10	3mpa	3mpa	NUM
eurjchem-286	84	11	at	at	ADP
eurjchem-286	84	12	1217	1217	NUM
eurjchem-286	84	13	cm‐1	cm‐1	NOUN
eurjchem-286	84	14	is	be	AUX
eurjchem-286	84	15	attributed	attribute	VERB
eurjchem-286	84	16	to	to	ADP
eurjchem-286	84	17	c‐c(hcl2	c‐c(hcl2	NOUN
eurjchem-286	84	18	)	)	PUNCT
eurjchem-286	84	19	stretching	stretch	VERB
eurjchem-286	84	20	mode	mode	NOUN
eurjchem-286	84	21	.	.	PUNCT
eurjchem-286	85	1	the	the	DET
eurjchem-286	85	2	in‐plane	in‐plane	PROPN
eurjchem-286	85	3	and	and	CCONJ
eurjchem-286	85	4	out	out	ADP
eurjchem-286	85	5	of	of	ADP
eurjchem-286	85	6	plane	plane	NOUN
eurjchem-286	85	7	bending	bend	VERB
eurjchem-286	85	8	vibrations	vibration	NOUN
eurjchem-286	85	9	are	be	AUX
eurjchem-286	85	10	assigned	assign	VERB
eurjchem-286	85	11	and	and	CCONJ
eurjchem-286	85	12	presented	present	VERB
eurjchem-286	85	13	in	in	ADP
eurjchem-286	85	14	tables	table	NOUN
eurjchem-286	85	15	3	3	NUM
eurjchem-286	85	16	and	and	CCONJ
eurjchem-286	85	17	4	4	NUM
eurjchem-286	85	18	.	.	X
eurjchem-286	86	1	all	all	DET
eurjchem-286	86	2	these	these	DET
eurjchem-286	86	3	assignments	assignment	NOUN
eurjchem-286	86	4	are	be	AUX
eurjchem-286	86	5	agreed	agree	VERB
eurjchem-286	86	6	well	well	ADV
eurjchem-286	86	7	with	with	ADP
eurjchem-286	86	8	the	the	DET
eurjchem-286	86	9	reported	report	VERB
eurjchem-286	86	10	literature	literature	NOUN
eurjchem-286	86	11	values	value	NOUN
eurjchem-286	86	12	[	[	X
eurjchem-286	86	13	39	39	NUM
eurjchem-286	86	14	]	]	PUNCT
eurjchem-286	86	15	.	.	PUNCT
eurjchem-286	87	1	the	the	DET
eurjchem-286	87	2	ccc	ccc	PROPN
eurjchem-286	87	3	in‐plane	in‐plane	NOUN
eurjchem-286	87	4	bending	bending	NOUN
eurjchem-286	87	5	and	and	CCONJ
eurjchem-286	87	6	out	out	ADP
eurjchem-286	87	7	of	of	ADP
eurjchem-286	87	8	plane	plane	NOUN
eurjchem-286	87	9	vibrations	vibration	NOUN
eurjchem-286	87	10	are	be	AUX
eurjchem-286	87	11	described	describe	VERB
eurjchem-286	87	12	as	as	ADP
eurjchem-286	87	13	mixed	mixed	ADJ
eurjchem-286	87	14	modes	mode	NOUN
eurjchem-286	87	15	as	as	SCONJ
eurjchem-286	87	16	there	there	PRON
eurjchem-286	87	17	are	be	VERB
eurjchem-286	87	18	about	about	ADP
eurjchem-286	87	19	10‐20	10‐20	NUM
eurjchem-286	87	20	%	%	NOUN
eurjchem-286	87	21	ped	ped	NOUN
eurjchem-286	87	22	contributions	contribution	NOUN
eurjchem-286	87	23	mainly	mainly	ADV
eurjchem-286	87	24	from	from	ADP
eurjchem-286	87	25	c‐h	c‐h	PROPN
eurjchem-286	87	26	in‐	in‐	ADJ
eurjchem-286	87	27	plane	plane	NOUN
eurjchem-286	87	28	and	and	CCONJ
eurjchem-286	87	29	out	out	ADP
eurjchem-286	87	30	of	of	ADP
eurjchem-286	87	31	plane	plane	NOUN
eurjchem-286	87	32	bending	bend	VERB
eurjchem-286	87	33	vibrations	vibration	NOUN
eurjchem-286	87	34	,	,	PUNCT
eurjchem-286	87	35	respectively	respectively	ADV
eurjchem-286	87	36	.	.	PUNCT
eurjchem-286	88	1	in	in	ADP
eurjchem-286	88	2	3mpa	3mpa	PROPN
eurjchem-286	88	3	the	the	DET
eurjchem-286	88	4	ring	ring	NOUN
eurjchem-286	88	5	breathing	breathe	VERB
eurjchem-286	88	6	mode	mode	NOUN
eurjchem-286	88	7	corresponding	correspond	VERB
eurjchem-286	88	8	to	to	ADP
eurjchem-286	88	9	the	the	DET
eurjchem-286	88	10	a1	a1	NOUN
eurjchem-286	88	11	g	g	PROPN
eurjchem-286	88	12	mode	mode	NOUN
eurjchem-286	88	13	of	of	ADP
eurjchem-286	88	14	benzene	benzene	NOUN
eurjchem-286	88	15	is	be	AUX
eurjchem-286	88	16	assigned	assign	VERB
eurjchem-286	88	17	to	to	ADP
eurjchem-286	88	18	the	the	DET
eurjchem-286	88	19	wavenumber	wavenumber	NOUN
eurjchem-286	88	20	observed	observe	VERB
eurjchem-286	88	21	in	in	ADP
eurjchem-286	88	22	the	the	DET
eurjchem-286	88	23	infrared	infrared	ADJ
eurjchem-286	88	24	spectrum	spectrum	NOUN
eurjchem-286	88	25	at	at	ADP
eurjchem-286	88	26	878	878	NUM
eurjchem-286	88	27	cm‐1	cm‐1	NOUN
eurjchem-286	88	28	and	and	CCONJ
eurjchem-286	88	29	in	in	ADP
eurjchem-286	88	30	the	the	DET
eurjchem-286	88	31	raman	raman	NOUN
eurjchem-286	88	32	at	at	ADP
eurjchem-286	88	33	875	875	NUM
eurjchem-286	88	34	cm‐1	cm‐1	NOUN
eurjchem-286	89	1	[	[	X
eurjchem-286	89	2	29	29	NUM
eurjchem-286	89	3	]	]	PUNCT
eurjchem-286	89	4	.	.	PUNCT
eurjchem-286	90	1	arjunan	arjunan	PROPN
eurjchem-286	90	2	et	et	PROPN
eurjchem-286	90	3	al	al	PROPN
eurjchem-286	90	4	.	.	PUNCT
eurjchem-286	90	5	/	/	SYM
eurjchem-286	90	6	european	european	PROPN
eurjchem-286	90	7	journal	journal	PROPN
eurjchem-286	90	8	of	of	ADP
eurjchem-286	90	9	chemistry	chemistry	NOUN
eurjchem-286	90	10	2	2	NUM
eurjchem-286	90	11	(	(	PUNCT
eurjchem-286	90	12	1	1	NUM
eurjchem-286	90	13	)	)	PUNCT
eurjchem-286	90	14	(	(	PUNCT
eurjchem-286	90	15	2011	2011	NUM
eurjchem-286	90	16	)	)	PUNCT
eurjchem-286	90	17	70‐76	70‐76	NOUN
eurjchem-286	90	18	73	73	NUM
eurjchem-286	90	19	table	table	NOUN
eurjchem-286	90	20	2	2	NUM
eurjchem-286	90	21	.	.	PUNCT
eurjchem-286	91	1	the	the	DET
eurjchem-286	91	2	calculated	calculated	ADJ
eurjchem-286	91	3	thermodynamic	thermodynamic	ADJ
eurjchem-286	91	4	parameters	parameter	NOUN
eurjchem-286	91	5	of	of	ADP
eurjchem-286	91	6	n‐(3‐methylphenyl)‐2,2‐dichloroacetamide	n‐(3‐methylphenyl)‐2,2‐dichloroacetamide	ADV
eurjchem-286	91	7	employing	employ	VERB
eurjchem-286	91	8	hf	hf	NOUN
eurjchem-286	91	9	and	and	CCONJ
eurjchem-286	91	10	b3lyp	b3lyp	NUM
eurjchem-286	91	11	methods	method	NOUN
eurjchem-286	91	12	with	with	ADP
eurjchem-286	91	13	6–311++g(d	6–311++g(d	PROPN
eurjchem-286	91	14	,	,	PUNCT
eurjchem-286	91	15	p	p	NOUN
eurjchem-286	91	16	)	)	PUNCT
eurjchem-286	91	17	and	and	CCONJ
eurjchem-286	91	18	6–31g(d	6–31g(d	NOUN
eurjchem-286	91	19	,	,	PUNCT
eurjchem-286	91	20	p	p	NOUN
eurjchem-286	91	21	)	)	PUNCT
eurjchem-286	91	22	basis	basis	NOUN
eurjchem-286	91	23	sets	set	NOUN
eurjchem-286	91	24	.	.	PUNCT
eurjchem-286	92	1	thermodynamic	thermodynamic	ADJ
eurjchem-286	92	2	parameters	parameter	NOUN
eurjchem-286	92	3	(	(	PUNCT
eurjchem-286	92	4	298	298	NUM
eurjchem-286	92	5	k	k	NOUN
eurjchem-286	92	6	)	)	PUNCT
eurjchem-286	92	7	n‐(3‐methylphenyl)‐2,2‐dichloroacetamide	n‐(3‐methylphenyl)‐2,2‐dichloroacetamide	PROPN
eurjchem-286	92	8	hf	hf	PROPN
eurjchem-286	92	9	6–311++g(d	6–311++g(d	PROPN
eurjchem-286	92	10	,	,	PUNCT
eurjchem-286	92	11	p	p	NOUN
eurjchem-286	92	12	)	)	PUNCT
eurjchem-286	92	13	b3lyp	b3lyp	SYM
eurjchem-286	93	1	6–311++g(d	6–311++g(d	NOUN
eurjchem-286	93	2	,	,	PUNCT
eurjchem-286	93	3	p	p	NOUN
eurjchem-286	93	4	)	)	PUNCT
eurjchem-286	93	5	hf	hf	NOUN
eurjchem-286	93	6	6–31g(d	6–31g(d	PROPN
eurjchem-286	93	7	,	,	PUNCT
eurjchem-286	93	8	p	p	X
eurjchem-286	93	9	)	)	PUNCT
eurjchem-286	93	10	b3lyp	b3lyp	SYM
eurjchem-286	94	1	6–31g(d	6–31g(d	NOUN
eurjchem-286	94	2	,	,	PUNCT
eurjchem-286	94	3	p	p	NOUN
eurjchem-286	94	4	)	)	PUNCT
eurjchem-286	94	5	scf	scf	PROPN
eurjchem-286	94	6	energy	energy	NOUN
eurjchem-286	94	7	(	(	PUNCT
eurjchem-286	94	8	a.u	a.u	PROPN
eurjchem-286	94	9	)	)	PUNCT
eurjchem-286	94	10	‐1394.511	‐1394.511	PROPN
eurjchem-286	94	11	–	–	PUNCT
eurjchem-286	94	12	1398.952	1398.952	NUM
eurjchem-286	94	13	–	–	PUNCT
eurjchem-286	94	14	1394.359	1394.359	NUM
eurjchem-286	94	15	–	–	PUNCT
eurjchem-286	94	16	1399.776	1399.776	NUM
eurjchem-286	94	17	total	total	ADJ
eurjchem-286	94	18	energy	energy	NOUN
eurjchem-286	94	19	(	(	PUNCT
eurjchem-286	94	20	thermal	thermal	ADJ
eurjchem-286	94	21	)	)	PUNCT
eurjchem-286	94	22	,	,	PUNCT
eurjchem-286	94	23	etotal	etotal	NOUN
eurjchem-286	94	24	(	(	PUNCT
eurjchem-286	94	25	kcal.mol‐1	kcal.mol‐1	NOUN
eurjchem-286	94	26	)	)	PUNCT
eurjchem-286	94	27	117.447	117.447	NUM
eurjchem-286	94	28	109.876	109.876	NUM
eurjchem-286	94	29	118.145	118.145	NUM
eurjchem-286	94	30	110.439	110.439	NUM
eurjchem-286	94	31	heat	heat	NOUN
eurjchem-286	94	32	capacity	capacity	NOUN
eurjchem-286	94	33	at	at	ADP
eurjchem-286	94	34	const	const	PROPN
eurjchem-286	94	35	.	.	PUNCT
eurjchem-286	95	1	volume	volume	NOUN
eurjchem-286	95	2	,	,	PUNCT
eurjchem-286	95	3	cv	cv	PROPN
eurjchem-286	95	4	(	(	PUNCT
eurjchem-286	95	5	cal.mol‐1.k‐1	cal.mol‐1.k‐1	PROPN
eurjchem-286	95	6	)	)	PUNCT
eurjchem-286	95	7	41.241	41.241	NUM
eurjchem-286	95	8	42.274	42.274	NUM
eurjchem-286	95	9	41.043	41.043	NUM
eurjchem-286	95	10	42.148	42.148	NUM
eurjchem-286	95	11	entropy	entropy	NOUN
eurjchem-286	95	12	,	,	PUNCT
eurjchem-286	95	13	s	s	PART
eurjchem-286	95	14	(	(	PUNCT
eurjchem-286	95	15	cal.mol‐1.k‐1	cal.mol‐1.k‐1	NOUN
eurjchem-286	95	16	)	)	PUNCT
eurjchem-286	95	17	112.073	112.073	NUM
eurjchem-286	95	18	107.445	107.445	NUM
eurjchem-286	95	19	112.464	112.464	NUM
eurjchem-286	95	20	107.309	107.309	NUM
eurjchem-286	95	21	vibrational	vibrational	ADJ
eurjchem-286	95	22	energy	energy	NOUN
eurjchem-286	95	23	,	,	PUNCT
eurjchem-286	95	24	evib	evib	INTJ
eurjchem-286	95	25	(	(	PUNCT
eurjchem-286	95	26	kcal.mol‐1	kcal.mol‐1	NOUN
eurjchem-286	95	27	)	)	PUNCT
eurjchem-286	95	28	115.669	115.669	NUM
eurjchem-286	95	29	108.098	108.098	NUM
eurjchem-286	95	30	116.368	116.368	NUM
eurjchem-286	95	31	108.661	108.661	NUM
eurjchem-286	95	32	zero‐point	zero‐point	NOUN
eurjchem-286	95	33	vibrational	vibrational	ADJ
eurjchem-286	95	34	energy	energy	NOUN
eurjchem-286	95	35	,	,	PUNCT
eurjchem-286	95	36	e0	e0	PROPN
eurjchem-286	95	37	(	(	PUNCT
eurjchem-286	95	38	kcal.mol‐1	kcal.mol‐1	NOUN
eurjchem-286	95	39	)	)	PUNCT
eurjchem-286	95	40	110.272	110.272	NUM
eurjchem-286	95	41	102.844	102.844	NUM
eurjchem-286	95	42	110.989	110.989	NUM
eurjchem-286	95	43	103.428	103.428	NUM
eurjchem-286	95	44	rotational	rotational	ADJ
eurjchem-286	95	45	constants	constant	NOUN
eurjchem-286	95	46	(	(	PUNCT
eurjchem-286	95	47	ghz	ghz	NOUN
eurjchem-286	95	48	)	)	PUNCT
eurjchem-286	95	49	a	a	DET
eurjchem-286	95	50	1.187	1.187	NUM
eurjchem-286	95	51	1.161	1.161	NUM
eurjchem-286	95	52	1.189	1.189	NUM
eurjchem-286	95	53	1.159	1.159	NUM
eurjchem-286	95	54	b	b	NOUN
eurjchem-286	95	55	0.290	0.290	NUM
eurjchem-286	95	56	0.286	0.286	NUM
eurjchem-286	95	57	0.289	0.289	NUM
eurjchem-286	95	58	0.286	0.286	NUM
eurjchem-286	95	59	c	c	NOUN
eurjchem-286	95	60	0.271	0.271	NUM
eurjchem-286	95	61	0.267	0.267	NUM
eurjchem-286	95	62	0.270	0.270	NUM
eurjchem-286	95	63	0.267	0.267	NUM
eurjchem-286	95	64	dipole	dipole	NOUN
eurjchem-286	95	65	moment	moment	NOUN
eurjchem-286	95	66	(	(	PUNCT
eurjchem-286	95	67	debye	debye	ADJ
eurjchem-286	95	68	)	)	PUNCT
eurjchem-286	95	69	μx	μx	NOUN
eurjchem-286	95	70	1.297	1.297	NUM
eurjchem-286	95	71	1.699	1.699	NUM
eurjchem-286	95	72	1.340	1.340	NUM
eurjchem-286	95	73	1.641	1.641	NUM
eurjchem-286	95	74	μy	μy	NOUN
eurjchem-286	95	75	‐2.212	‐2.212	ADP
eurjchem-286	95	76	‐2.176	‐2.176	PROPN
eurjchem-286	95	77	‐2.019	‐2.019	PROPN
eurjchem-286	95	78	‐1.907	‐1.907	VERB
eurjchem-286	95	79	μz	μz	ADP
eurjchem-286	95	80	0.001	0.001	NUM
eurjchem-286	95	81	0.001	0.001	NUM
eurjchem-286	95	82	0.000	0.000	NUM
eurjchem-286	95	83	0.001	0.001	NUM
eurjchem-286	95	84	μtotal	μtotal	NOUN
eurjchem-286	95	85	2.564	2.564	NUM
eurjchem-286	95	86	2.761	2.761	NUM
eurjchem-286	95	87	2.423	2.423	NUM
eurjchem-286	95	88	2.516	2.516	NUM
eurjchem-286	95	89	figure	figure	NOUN
eurjchem-286	95	90	3	3	NUM
eurjchem-286	95	91	.	.	PUNCT
eurjchem-286	95	92	ft‐raman	ft‐raman	PROPN
eurjchem-286	95	93	and	and	CCONJ
eurjchem-286	95	94	theoretical	theoretical	ADJ
eurjchem-286	95	95	spectra	spectra	NOUN
eurjchem-286	95	96	of	of	ADP
eurjchem-286	95	97	n‐(3‐methylphenyl)‐2,2‐	n‐(3‐methylphenyl)‐2,2‐	PROPN
eurjchem-286	95	98	dichloroacetamide	dichloroacetamide	NOUN
eurjchem-286	95	99	.	.	PUNCT
eurjchem-286	96	1	3.3.2	3.3.2	NUM
eurjchem-286	96	2	.	.	X
eurjchem-286	97	1	c‐h	c‐h	PROPN
eurjchem-286	97	2	vibrations	vibration	VERB
eurjchem-286	97	3	the	the	DET
eurjchem-286	97	4	aromatic	aromatic	ADJ
eurjchem-286	97	5	c‐h	c‐h	PRON
eurjchem-286	97	6	stretching	stretch	VERB
eurjchem-286	97	7	vibrations	vibration	NOUN
eurjchem-286	97	8	are	be	AUX
eurjchem-286	97	9	normally	normally	ADV
eurjchem-286	97	10	found	find	VERB
eurjchem-286	97	11	between	between	ADP
eurjchem-286	97	12	3100	3100	NUM
eurjchem-286	97	13	and	and	CCONJ
eurjchem-286	97	14	3000	3000	NUM
eurjchem-286	97	15	cm‐1	cm‐1	NOUN
eurjchem-286	97	16	.	.	PUNCT
eurjchem-286	98	1	in	in	ADP
eurjchem-286	98	2	this	this	DET
eurjchem-286	98	3	region	region	NOUN
eurjchem-286	98	4	the	the	DET
eurjchem-286	98	5	bands	band	NOUN
eurjchem-286	98	6	are	be	AUX
eurjchem-286	98	7	not	not	PART
eurjchem-286	98	8	affected	affect	VERB
eurjchem-286	98	9	appreciably	appreciably	ADV
eurjchem-286	98	10	by	by	ADP
eurjchem-286	98	11	the	the	DET
eurjchem-286	98	12	nature	nature	NOUN
eurjchem-286	98	13	of	of	ADP
eurjchem-286	98	14	substituents	substituent	NOUN
eurjchem-286	98	15	.	.	PUNCT
eurjchem-286	99	1	the	the	DET
eurjchem-286	99	2	aromatic	aromatic	ADJ
eurjchem-286	99	3	c‐h	c‐h	PRON
eurjchem-286	99	4	stretching	stretch	VERB
eurjchem-286	99	5	frequencies	frequency	NOUN
eurjchem-286	99	6	arise	arise	VERB
eurjchem-286	99	7	from	from	ADP
eurjchem-286	99	8	the	the	DET
eurjchem-286	99	9	modes	mode	NOUN
eurjchem-286	99	10	observed	observe	VERB
eurjchem-286	99	11	at	at	ADP
eurjchem-286	99	12	3062	3062	NUM
eurjchem-286	99	13	(	(	PUNCT
eurjchem-286	99	14	a1	a1	PROPN
eurjchem-286	99	15	g	g	NOUN
eurjchem-286	99	16	)	)	PUNCT
eurjchem-286	99	17	,	,	PUNCT
eurjchem-286	99	18	3047	3047	NUM
eurjchem-286	99	19	(	(	PUNCT
eurjchem-286	99	20	e2	e2	PROPN
eurjchem-286	99	21	g	g	NOUN
eurjchem-286	99	22	)	)	PUNCT
eurjchem-286	99	23	,	,	PUNCT
eurjchem-286	99	24	3060	3060	NUM
eurjchem-286	99	25	(	(	PUNCT
eurjchem-286	99	26	b1u	b1u	NOUN
eurjchem-286	99	27	)	)	PUNCT
eurjchem-286	99	28	and	and	CCONJ
eurjchem-286	99	29	3080	3080	NUM
eurjchem-286	99	30	(	(	PUNCT
eurjchem-286	99	31	e1u	e1u	NOUN
eurjchem-286	99	32	)	)	PUNCT
eurjchem-286	99	33	cm‐1	cm‐1	NOUN
eurjchem-286	99	34	of	of	ADP
eurjchem-286	99	35	benzene	benzene	NOUN
eurjchem-286	99	36	and	and	CCONJ
eurjchem-286	99	37	its	its	PRON
eurjchem-286	99	38	derivatives	derivative	NOUN
eurjchem-286	99	39	[	[	X
eurjchem-286	99	40	40	40	NUM
eurjchem-286	99	41	]	]	PUNCT
eurjchem-286	99	42	.	.	PUNCT
eurjchem-286	100	1	the	the	DET
eurjchem-286	100	2	c‐h	c‐h	PROPN
eurjchem-286	100	3	present	present	NOUN
eurjchem-286	100	4	in	in	ADP
eurjchem-286	100	5	the	the	DET
eurjchem-286	100	6	benzene	benzene	NOUN
eurjchem-286	100	7	ring	ring	NOUN
eurjchem-286	100	8	of	of	ADP
eurjchem-286	100	9	3mpa	3mpa	PROPN
eurjchem-286	100	10	gives	give	VERB
eurjchem-286	100	11	strong	strong	ADJ
eurjchem-286	100	12	to	to	ADP
eurjchem-286	100	13	weak	weak	ADJ
eurjchem-286	100	14	bands	band	NOUN
eurjchem-286	100	15	at	at	ADP
eurjchem-286	100	16	3104	3104	NUM
eurjchem-286	100	17	,	,	PUNCT
eurjchem-286	100	18	3043	3043	NUM
eurjchem-286	100	19	and	and	CCONJ
eurjchem-286	100	20	3014	3014	NUM
eurjchem-286	100	21	cm‐1	cm‐1	NOUN
eurjchem-286	100	22	.	.	PUNCT
eurjchem-286	101	1	the	the	DET
eurjchem-286	101	2	vibrational	vibrational	ADJ
eurjchem-286	101	3	modes	mode	NOUN
eurjchem-286	101	4	observed	observe	VERB
eurjchem-286	101	5	at	at	ADP
eurjchem-286	101	6	3073	3073	NUM
eurjchem-286	101	7	and	and	CCONJ
eurjchem-286	101	8	3063	3063	NUM
eurjchem-286	101	9	cm‐1	cm‐1	NOUN
eurjchem-286	101	10	in	in	ADP
eurjchem-286	101	11	the	the	DET
eurjchem-286	101	12	infrared	infrared	ADJ
eurjchem-286	101	13	and	and	CCONJ
eurjchem-286	101	14	raman	raman	NOUN
eurjchem-286	101	15	spectra	spectra	NOUN
eurjchem-286	101	16	are	be	AUX
eurjchem-286	101	17	attributed	attribute	VERB
eurjchem-286	101	18	to	to	ADP
eurjchem-286	101	19	the	the	DET
eurjchem-286	101	20	c‐h	c‐h	PROPN
eurjchem-286	101	21	stretching	stretching	NOUN
eurjchem-286	101	22	of	of	ADP
eurjchem-286	101	23	‐chcl2	‐chcl2	NOUN
eurjchem-286	101	24	group	group	NOUN
eurjchem-286	101	25	.	.	PUNCT
eurjchem-286	102	1	the	the	DET
eurjchem-286	102	2	aromatic	aromatic	ADJ
eurjchem-286	102	3	c‐h	c‐h	NUM
eurjchem-286	102	4	in‐	in‐	ADJ
eurjchem-286	102	5	plane	plane	NOUN
eurjchem-286	102	6	bending	bend	VERB
eurjchem-286	102	7	modes	mode	NOUN
eurjchem-286	102	8	of	of	ADP
eurjchem-286	102	9	3mpa	3mpa	PROPN
eurjchem-286	102	10	are	be	AUX
eurjchem-286	102	11	observed	observe	VERB
eurjchem-286	102	12	at	at	ADP
eurjchem-286	102	13	1163	1163	NUM
eurjchem-286	102	14	,	,	PUNCT
eurjchem-286	102	15	1138	1138	NUM
eurjchem-286	102	16	,	,	PUNCT
eurjchem-286	102	17	1042	1042	NUM
eurjchem-286	102	18	and	and	CCONJ
eurjchem-286	102	19	975	975	NUM
eurjchem-286	102	20	cm‐1	cm‐1	NOUN
eurjchem-286	102	21	.	.	PUNCT
eurjchem-286	103	1	the	the	DET
eurjchem-286	103	2	c‐h	c‐h	PROPN
eurjchem-286	103	3	out	out	ADP
eurjchem-286	103	4	of	of	ADP
eurjchem-286	103	5	plane	plane	NOUN
eurjchem-286	103	6	bending	bend	VERB
eurjchem-286	103	7	mode	mode	NOUN
eurjchem-286	103	8	the	the	DET
eurjchem-286	103	9	compound	compound	NOUN
eurjchem-286	103	10	are	be	AUX
eurjchem-286	103	11	observed	observe	VERB
eurjchem-286	103	12	in	in	ADP
eurjchem-286	103	13	the	the	DET
eurjchem-286	103	14	region	region	NOUN
eurjchem-286	103	15	1100	1100	NUM
eurjchem-286	103	16	to	to	ADP
eurjchem-286	103	17	600	600	NUM
eurjchem-286	103	18	cm‐1	cm‐1	NOUN
eurjchem-286	103	19	and	and	CCONJ
eurjchem-286	103	20	are	be	AUX
eurjchem-286	103	21	presented	present	VERB
eurjchem-286	103	22	in	in	ADP
eurjchem-286	103	23	tables	table	NOUN
eurjchem-286	103	24	3	3	NUM
eurjchem-286	103	25	and	and	CCONJ
eurjchem-286	103	26	4	4	NUM
eurjchem-286	103	27	.	.	PUNCT
eurjchem-286	104	1	the	the	DET
eurjchem-286	104	2	aromatic	aromatic	ADJ
eurjchem-286	104	3	c‐h	c‐h	PROPN
eurjchem-286	104	4	in‐plane	in‐plane	NOUN
eurjchem-286	104	5	and	and	CCONJ
eurjchem-286	104	6	out	out	ADP
eurjchem-286	104	7	of	of	ADP
eurjchem-286	104	8	plane	plane	NOUN
eurjchem-286	104	9	bending	bend	VERB
eurjchem-286	104	10	vibrations	vibration	NOUN
eurjchem-286	104	11	have	have	VERB
eurjchem-286	104	12	substantial	substantial	ADJ
eurjchem-286	104	13	contribution	contribution	NOUN
eurjchem-286	104	14	from	from	ADP
eurjchem-286	104	15	the	the	DET
eurjchem-286	104	16	ring	ring	NOUN
eurjchem-286	104	17	ccc	ccc	PROPN
eurjchem-286	104	18	in‐plane	in‐plane	PROPN
eurjchem-286	104	19	and	and	CCONJ
eurjchem-286	104	20	out	out	ADP
eurjchem-286	104	21	of	of	ADP
eurjchem-286	104	22	plane	plane	NOUN
eurjchem-286	104	23	bending	bending	NOUN
eurjchem-286	104	24	,	,	PUNCT
eurjchem-286	104	25	respectively	respectively	ADV
eurjchem-286	104	26	.	.	PUNCT
eurjchem-286	105	1	the	the	DET
eurjchem-286	105	2	c‐h(cl2	c‐h(cl2	NOUN
eurjchem-286	105	3	)	)	PUNCT
eurjchem-286	105	4	in‐plane	in‐plane	NOUN
eurjchem-286	105	5	and	and	CCONJ
eurjchem-286	105	6	out	out	ADP
eurjchem-286	105	7	of	of	ADP
eurjchem-286	105	8	plane	plane	NOUN
eurjchem-286	105	9	bending	bend	VERB
eurjchem-286	105	10	vibrations	vibration	NOUN
eurjchem-286	105	11	are	be	AUX
eurjchem-286	105	12	significantly	significantly	ADV
eurjchem-286	105	13	mixed	mixed	ADJ
eurjchem-286	105	14	with	with	ADP
eurjchem-286	105	15	cc	cc	ADP
eurjchem-286	105	16	in‐plane	in‐plane	PROPN
eurjchem-286	105	17	and	and	CCONJ
eurjchem-286	105	18	out	out	ADP
eurjchem-286	105	19	of	of	ADP
eurjchem-286	105	20	plane	plane	NOUN
eurjchem-286	105	21	modes	mode	NOUN
eurjchem-286	105	22	,	,	PUNCT
eurjchem-286	105	23	respectively	respectively	ADV
eurjchem-286	105	24	.	.	PUNCT
eurjchem-286	106	1	3.3.3	3.3.3	NUM
eurjchem-286	106	2	.	.	PUNCT
eurjchem-286	106	3	amide	amide	NOUN
eurjchem-286	106	4	group	group	NOUN
eurjchem-286	106	5	vibrations	vibration	VERB
eurjchem-286	106	6	the	the	DET
eurjchem-286	106	7	amide	amide	NOUN
eurjchem-286	106	8	(	(	PUNCT
eurjchem-286	106	9	–	–	PUNCT
eurjchem-286	106	10	conh	conh	NOUN
eurjchem-286	106	11	–	–	PUNCT
eurjchem-286	106	12	)	)	PUNCT
eurjchem-286	106	13	group	group	NOUN
eurjchem-286	106	14	vibrations	vibration	NOUN
eurjchem-286	106	15	of	of	ADP
eurjchem-286	106	16	the	the	DET
eurjchem-286	106	17	compounds	compound	NOUN
eurjchem-286	106	18	investigated	investigate	VERB
eurjchem-286	106	19	are	be	AUX
eurjchem-286	106	20	correlated	correlate	VERB
eurjchem-286	106	21	with	with	ADP
eurjchem-286	106	22	n‐(phenyl)‐2,2‐dichloro	n‐(phenyl)‐2,2‐dichloro	NUM
eurjchem-286	106	23	acetamide	acetamide	NOUN
eurjchem-286	106	24	(	(	PUNCT
eurjchem-286	106	25	npa	npa	NOUN
eurjchem-286	106	26	)	)	PUNCT
eurjchem-286	106	27	,	,	PUNCT
eurjchem-286	106	28	n‐(2‐methylphenyl)‐2,2‐dichloroacetamide	n‐(2‐methylphenyl)‐2,2‐dichloroacetamide	X
eurjchem-286	106	29	(	(	PUNCT
eurjchem-286	106	30	2mpa	2mpa	NOUN
eurjchem-286	106	31	)	)	PUNCT
eurjchem-286	106	32	and	and	CCONJ
eurjchem-286	106	33	n‐(4‐methylphenyl)‐2,2‐dichloroacetamide	n‐(4‐methylphenyl)‐2,2‐dichloroacetamide	ADJ
eurjchem-286	106	34	(	(	PUNCT
eurjchem-286	106	35	4mpa	4mpa	NOUN
eurjchem-286	106	36	)	)	PUNCT
eurjchem-286	106	37	vibrations	vibration	NOUN
eurjchem-286	106	38	[	[	X
eurjchem-286	106	39	1,29	1,29	NUM
eurjchem-286	106	40	]	]	X
eurjchem-286	106	41	.	.	PUNCT
eurjchem-286	107	1	amide‐i	amide‐i	PROPN
eurjchem-286	107	2	band	band	PROPN
eurjchem-286	107	3	,	,	PUNCT
eurjchem-286	107	4	the	the	DET
eurjchem-286	107	5	c	c	NOUN
eurjchem-286	107	6	=	=	NOUN
eurjchem-286	107	7	o	o	NOUN
eurjchem-286	107	8	stretching	stretch	VERB
eurjchem-286	107	9	mode	mode	NOUN
eurjchem-286	107	10	is	be	AUX
eurjchem-286	107	11	the	the	DET
eurjchem-286	107	12	strongest	strong	ADJ
eurjchem-286	107	13	band	band	NOUN
eurjchem-286	107	14	in	in	ADP
eurjchem-286	107	15	the	the	DET
eurjchem-286	107	16	infrared	infrared	ADJ
eurjchem-286	107	17	spectrum	spectrum	NOUN
eurjchem-286	107	18	and	and	CCONJ
eurjchem-286	107	19	appears	appear	VERB
eurjchem-286	107	20	with	with	ADP
eurjchem-286	107	21	diminished	diminished	ADJ
eurjchem-286	107	22	intensity	intensity	NOUN
eurjchem-286	107	23	in	in	ADP
eurjchem-286	107	24	the	the	DET
eurjchem-286	107	25	raman	raman	NOUN
eurjchem-286	107	26	spectrum	spectrum	NOUN
eurjchem-286	107	27	.	.	PUNCT
eurjchem-286	108	1	in	in	ADP
eurjchem-286	108	2	n‐phenylacetamide	n‐phenylacetamide	NUM
eurjchem-286	108	3	structure	structure	NOUN
eurjchem-286	108	4	there	there	PRON
eurjchem-286	108	5	is	be	VERB
eurjchem-286	108	6	competition	competition	NOUN
eurjchem-286	108	7	between	between	ADP
eurjchem-286	108	8	the	the	DET
eurjchem-286	108	9	phenyl	phenyl	NOUN
eurjchem-286	108	10	ring	ring	NOUN
eurjchem-286	108	11	and	and	CCONJ
eurjchem-286	108	12	the	the	DET
eurjchem-286	108	13	c	c	NOUN
eurjchem-286	108	14	=	=	NOUN
eurjchem-286	108	15	o	o	NOUN
eurjchem-286	108	16	for	for	ADP
eurjchem-286	108	17	the	the	DET
eurjchem-286	108	18	lone	lone	ADJ
eurjchem-286	108	19	pair	pair	NOUN
eurjchem-286	108	20	of	of	ADP
eurjchem-286	108	21	electrons	electron	NOUN
eurjchem-286	108	22	of	of	ADP
eurjchem-286	108	23	the	the	DET
eurjchem-286	108	24	nitrogen	nitrogen	NOUN
eurjchem-286	108	25	.	.	PUNCT
eurjchem-286	109	1	the	the	DET
eurjchem-286	109	2	strong	strong	ADJ
eurjchem-286	109	3	ir	ir	PROPN
eurjchem-286	109	4	band	band	NOUN
eurjchem-286	109	5	observed	observe	VERB
eurjchem-286	109	6	at	at	ADP
eurjchem-286	109	7	1680	1680	NUM
eurjchem-286	109	8	cm‐1	cm‐1	NOUN
eurjchem-286	109	9	is	be	AUX
eurjchem-286	109	10	assigned	assign	VERB
eurjchem-286	109	11	to	to	ADP
eurjchem-286	109	12	the	the	DET
eurjchem-286	109	13	amide‐i	amide‐i	ADJ
eurjchem-286	109	14	band	band	NOUN
eurjchem-286	109	15	of	of	ADP
eurjchem-286	109	16	3mpa	3mpa	PROPN
eurjchem-286	109	17	while	while	SCONJ
eurjchem-286	109	18	the	the	DET
eurjchem-286	109	19	raman	raman	NOUN
eurjchem-286	109	20	counterpart	counterpart	NOUN
eurjchem-286	109	21	is	be	AUX
eurjchem-286	109	22	obtained	obtain	VERB
eurjchem-286	109	23	as	as	ADP
eurjchem-286	109	24	very	very	ADV
eurjchem-286	109	25	strong	strong	ADJ
eurjchem-286	109	26	band	band	NOUN
eurjchem-286	109	27	at	at	ADP
eurjchem-286	109	28	1678	1678	NUM
eurjchem-286	109	29	cm‐1	cm‐1	NOUN
eurjchem-286	109	30	.	.	PUNCT
eurjchem-286	110	1	the	the	DET
eurjchem-286	110	2	comparison	comparison	NOUN
eurjchem-286	110	3	of	of	ADP
eurjchem-286	110	4	c	c	NOUN
eurjchem-286	110	5	=	=	NOUN
eurjchem-286	110	6	o	o	NOUN
eurjchem-286	110	7	stretching	stretching	NOUN
eurjchem-286	110	8	of	of	ADP
eurjchem-286	110	9	3mpa	3mpa	PROPN
eurjchem-286	110	10	with	with	ADP
eurjchem-286	110	11	that	that	PRON
eurjchem-286	110	12	of	of	ADP
eurjchem-286	110	13	npa	npa	NOUN
eurjchem-286	110	14	molecule	molecule	NOUN
eurjchem-286	110	15	reveals	reveal	VERB
eurjchem-286	110	16	that	that	SCONJ
eurjchem-286	110	17	the	the	DET
eurjchem-286	110	18	c	c	PROPN
eurjchem-286	110	19	=	=	NOUN
eurjchem-286	110	20	o	o	NOUN
eurjchem-286	110	21	stretching	stretch	VERB
eurjchem-286	110	22	frequencies	frequency	NOUN
eurjchem-286	110	23	of	of	ADP
eurjchem-286	110	24	the	the	DET
eurjchem-286	110	25	compound	compound	NOUN
eurjchem-286	110	26	under	under	ADP
eurjchem-286	110	27	investigation	investigation	NOUN
eurjchem-286	110	28	does	do	AUX
eurjchem-286	110	29	not	not	PART
eurjchem-286	110	30	show	show	VERB
eurjchem-286	110	31	significant	significant	ADJ
eurjchem-286	110	32	variation	variation	NOUN
eurjchem-286	110	33	from	from	ADP
eurjchem-286	110	34	that	that	PRON
eurjchem-286	110	35	of	of	ADP
eurjchem-286	110	36	the	the	DET
eurjchem-286	110	37	parent	parent	NOUN
eurjchem-286	110	38	compound	compound	VERB
eurjchem-286	110	39	n‐phenyl‐2,2‐dichloroacetamide	n‐phenyl‐2,2‐dichloroacetamide	ADV
eurjchem-286	110	40	.	.	PUNCT
eurjchem-286	111	1	the	the	DET
eurjchem-286	111	2	n‐h	n‐h	DET
eurjchem-286	111	3	stretching	stretch	VERB
eurjchem-286	111	4	band	band	NOUN
eurjchem-286	111	5	of	of	ADP
eurjchem-286	111	6	secondary	secondary	ADJ
eurjchem-286	111	7	amides	amide	NOUN
eurjchem-286	111	8	seen	see	VERB
eurjchem-286	111	9	in	in	ADP
eurjchem-286	111	10	the	the	DET
eurjchem-286	111	11	infrared	infrared	ADJ
eurjchem-286	111	12	spectrum	spectrum	NOUN
eurjchem-286	111	13	between	between	ADP
eurjchem-286	111	14	3370	3370	NUM
eurjchem-286	111	15	and	and	CCONJ
eurjchem-286	111	16	3170	3170	NUM
eurjchem-286	111	17	cm‐1	cm‐1	NOUN
eurjchem-286	111	18	.	.	PUNCT
eurjchem-286	112	1	a	a	DET
eurjchem-286	112	2	weaker	weak	ADJ
eurjchem-286	112	3	band	band	NOUN
eurjchem-286	112	4	may	may	AUX
eurjchem-286	112	5	appear	appear	VERB
eurjchem-286	112	6	at	at	ADP
eurjchem-286	112	7	about	about	ADP
eurjchem-286	112	8	3100	3100	NUM
eurjchem-286	112	9	cm‐1	cm‐1	NOUN
eurjchem-286	112	10	in	in	ADP
eurjchem-286	112	11	secondary	secondary	ADJ
eurjchem-286	112	12	amides	amide	NOUN
eurjchem-286	112	13	due	due	ADJ
eurjchem-286	112	14	to	to	ADP
eurjchem-286	112	15	fermi	fermi	NOUN
eurjchem-286	112	16	resonance	resonance	NOUN
eurjchem-286	112	17	of	of	ADP
eurjchem-286	112	18	1550	1550	NUM
eurjchem-286	112	19	cm‐1	cm‐1	NOUN
eurjchem-286	112	20	.	.	PUNCT
eurjchem-286	113	1	thus	thus	ADV
eurjchem-286	113	2	the	the	DET
eurjchem-286	113	3	very	very	ADV
eurjchem-286	113	4	strong	strong	ADJ
eurjchem-286	113	5	band	band	NOUN
eurjchem-286	113	6	observed	observe	VERB
eurjchem-286	113	7	at	at	ADP
eurjchem-286	113	8	3245	3245	NUM
eurjchem-286	113	9	cm‐1	cm‐1	NOUN
eurjchem-286	113	10	in	in	ADP
eurjchem-286	113	11	infrared	infrared	ADJ
eurjchem-286	113	12	spectrum	spectrum	NOUN
eurjchem-286	113	13	and	and	CCONJ
eurjchem-286	113	14	3247	3247	NUM
eurjchem-286	113	15	cm‐1	cm‐1	NOUN
eurjchem-286	113	16	in	in	ADP
eurjchem-286	113	17	raman	raman	NOUN
eurjchem-286	113	18	is	be	AUX
eurjchem-286	113	19	attributed	attribute	VERB
eurjchem-286	113	20	to	to	ADP
eurjchem-286	113	21	the	the	PRON
eurjchem-286	113	22	n‐h	n‐h	PRON
eurjchem-286	113	23	stretching	stretch	VERB
eurjchem-286	113	24	of	of	ADP
eurjchem-286	113	25	3mpa	3mpa	PROPN
eurjchem-286	113	26	molecule	molecule	NOUN
eurjchem-286	113	27	.	.	PUNCT
eurjchem-286	114	1	the	the	DET
eurjchem-286	114	2	4mpa	4mpa	PROPN
eurjchem-286	114	3	shows	show	VERB
eurjchem-286	114	4	the	the	DET
eurjchem-286	114	5	characteristic	characteristic	ADJ
eurjchem-286	114	6	very	very	ADV
eurjchem-286	114	7	strong	strong	ADJ
eurjchem-286	114	8	n‐h	n‐h	PRON
eurjchem-286	114	9	stretching	stretch	VERB
eurjchem-286	114	10	band	band	NOUN
eurjchem-286	114	11	at	at	ADP
eurjchem-286	114	12	3240	3240	NUM
eurjchem-286	114	13	in	in	ADP
eurjchem-286	114	14	the	the	DET
eurjchem-286	114	15	ir	ir	PROPN
eurjchem-286	114	16	and	and	CCONJ
eurjchem-286	114	17	at	at	ADP
eurjchem-286	114	18	3236	3236	NUM
eurjchem-286	114	19	cm‐1	cm‐1	NOUN
eurjchem-286	114	20	in	in	ADP
eurjchem-286	114	21	raman	raman	NOUN
eurjchem-286	114	22	spectrum	spectrum	NOUN
eurjchem-286	114	23	.	.	PUNCT
eurjchem-286	115	1	in	in	ADP
eurjchem-286	115	2	comparison	comparison	NOUN
eurjchem-286	115	3	with	with	ADP
eurjchem-286	115	4	npa	npa	PROPN
eurjchem-286	115	5	,	,	PUNCT
eurjchem-286	115	6	the	the	DET
eurjchem-286	115	7	n‐h	n‐h	DET
eurjchem-286	115	8	stretching	stretch	VERB
eurjchem-286	115	9	frequency	frequency	NOUN
eurjchem-286	115	10	of	of	ADP
eurjchem-286	115	11	3mpa	3mpa	PROPN
eurjchem-286	115	12	is	be	AUX
eurjchem-286	115	13	lowered	lower	VERB
eurjchem-286	115	14	by	by	ADP
eurjchem-286	115	15	20‐30	20‐30	PROPN
eurjchem-286	115	16	cm‐1	cm‐1	NOUN
eurjchem-286	115	17	while	while	SCONJ
eurjchem-286	115	18	between	between	ADP
eurjchem-286	115	19	2mpa	2mpa	PROPN
eurjchem-286	115	20	and	and	CCONJ
eurjchem-286	115	21	3mpa	3mpa	NUM
eurjchem-286	115	22	there	there	PRON
eurjchem-286	115	23	is	be	VERB
eurjchem-286	115	24	no	no	DET
eurjchem-286	115	25	significant	significant	ADJ
eurjchem-286	115	26	changes	change	NOUN
eurjchem-286	115	27	.	.	PUNCT
eurjchem-286	116	1	the	the	DET
eurjchem-286	116	2	dipole	dipole	NOUN
eurjchem-286	116	3	moment	moment	NOUN
eurjchem-286	116	4	measurements	measurement	NOUN
eurjchem-286	116	5	,	,	PUNCT
eurjchem-286	116	6	x‐ray	x‐ray	NOUN
eurjchem-286	116	7	and	and	CCONJ
eurjchem-286	116	8	neutron	neutron	PROPN
eurjchem-286	116	9	diffraction	diffraction	NOUN
eurjchem-286	116	10	studies	study	NOUN
eurjchem-286	116	11	demonstrated	demonstrate	VERB
eurjchem-286	116	12	that	that	SCONJ
eurjchem-286	116	13	the	the	DET
eurjchem-286	116	14	trans	trans	PROPN
eurjchem-286	116	15	conformer	conformer	PROPN
eurjchem-286	116	16	of	of	ADP
eurjchem-286	116	17	n‐	n‐	NOUN
eurjchem-286	116	18	phenylacetamide	phenylacetamide	ADV
eurjchem-286	116	19	is	be	AUX
eurjchem-286	116	20	the	the	DET
eurjchem-286	116	21	predominant	predominant	ADJ
eurjchem-286	116	22	and	and	CCONJ
eurjchem-286	116	23	most	most	ADV
eurjchem-286	116	24	stable	stable	ADJ
eurjchem-286	117	1	[	[	X
eurjchem-286	117	2	14,15,39,41‐42	14,15,39,41‐42	NOUN
eurjchem-286	117	3	]	]	X
eurjchem-286	117	4	.	.	PUNCT
eurjchem-286	118	1	the	the	DET
eurjchem-286	118	2	influence	influence	NOUN
eurjchem-286	118	3	of	of	ADP
eurjchem-286	118	4	the	the	DET
eurjchem-286	118	5	ring	ring	NOUN
eurjchem-286	118	6	substituent	substituent	NOUN
eurjchem-286	118	7	on	on	ADP
eurjchem-286	118	8	n‐h	n‐h	DET
eurjchem-286	118	9	stretching	stretch	VERB
eurjchem-286	118	10	frequency	frequency	NOUN
eurjchem-286	118	11	of	of	ADP
eurjchem-286	118	12	n‐phenylacetamide	n‐phenylacetamide	NUM
eurjchem-286	118	13	and	and	CCONJ
eurjchem-286	118	14	its	its	PRON
eurjchem-286	118	15	derivatives	derivative	NOUN
eurjchem-286	118	16	may	may	AUX
eurjchem-286	118	17	be	be	AUX
eurjchem-286	118	18	the	the	DET
eurjchem-286	118	19	resultant	resultant	ADJ
eurjchem-286	118	20	steric	steric	ADJ
eurjchem-286	118	21	effect	effect	NOUN
eurjchem-286	118	22	,	,	PUNCT
eurjchem-286	118	23	direct	direct	ADJ
eurjchem-286	118	24	field	field	NOUN
eurjchem-286	118	25	effects	effect	NOUN
eurjchem-286	118	26	,	,	PUNCT
eurjchem-286	118	27	hydrogen	hydrogen	NOUN
eurjchem-286	118	28	bonding	bonding	NOUN
eurjchem-286	118	29	and	and	CCONJ
eurjchem-286	118	30	bond	bond	NOUN
eurjchem-286	118	31	polarisation	polarisation	NOUN
eurjchem-286	118	32	effects	effect	NOUN
eurjchem-286	118	33	[	[	X
eurjchem-286	118	34	43	43	NUM
eurjchem-286	118	35	]	]	PUNCT
eurjchem-286	118	36	.	.	PUNCT
eurjchem-286	119	1	the	the	DET
eurjchem-286	119	2	steric	steric	ADJ
eurjchem-286	119	3	effect	effect	NOUN
eurjchem-286	119	4	of	of	ADP
eurjchem-286	119	5	methyl	methyl	NOUN
eurjchem-286	119	6	substituent	substituent	NOUN
eurjchem-286	119	7	must	must	AUX
eurjchem-286	119	8	be	be	AUX
eurjchem-286	119	9	considered	consider	VERB
eurjchem-286	119	10	in	in	ADP
eurjchem-286	119	11	conjunction	conjunction	NOUN
eurjchem-286	119	12	with	with	ADP
eurjchem-286	119	13	the	the	DET
eurjchem-286	119	14	conformations	conformation	NOUN
eurjchem-286	119	15	.	.	PUNCT
eurjchem-286	120	1	the	the	DET
eurjchem-286	120	2	increase	increase	NOUN
eurjchem-286	120	3	in	in	ADP
eurjchem-286	120	4	n‐h	n‐h	DET
eurjchem-286	120	5	stretching	stretch	VERB
eurjchem-286	120	6	frequency	frequency	NOUN
eurjchem-286	120	7	may	may	AUX
eurjchem-286	120	8	be	be	AUX
eurjchem-286	120	9	expected	expect	VERB
eurjchem-286	120	10	in	in	ADP
eurjchem-286	120	11	introduction	introduction	NOUN
eurjchem-286	120	12	of	of	ADP
eurjchem-286	120	13	an	an	DET
eurjchem-286	120	14	o‐methyl	o‐methyl	PROPN
eurjchem-286	120	15	group	group	NOUN
eurjchem-286	120	16	into	into	ADP
eurjchem-286	120	17	the	the	DET
eurjchem-286	120	18	phenyl	phenyl	NOUN
eurjchem-286	120	19	ring	ring	NOUN
eurjchem-286	120	20	of	of	ADP
eurjchem-286	120	21	n‐phenylacetamide	n‐phenylacetamide	NUM
eurjchem-286	120	22	.	.	PUNCT
eurjchem-286	121	1	in	in	ADP
eurjchem-286	121	2	the	the	DET
eurjchem-286	121	3	present	present	ADJ
eurjchem-286	121	4	investigation	investigation	NOUN
eurjchem-286	121	5	,	,	PUNCT
eurjchem-286	121	6	it	it	PRON
eurjchem-286	121	7	is	be	AUX
eurjchem-286	121	8	observed	observe	VERB
eurjchem-286	121	9	that	that	SCONJ
eurjchem-286	121	10	there	there	PRON
eurjchem-286	121	11	is	be	VERB
eurjchem-286	121	12	no	no	DET
eurjchem-286	121	13	increase	increase	NOUN
eurjchem-286	121	14	in	in	ADP
eurjchem-286	121	15	the	the	DET
eurjchem-286	121	16	n‐h	n‐h	DET
eurjchem-286	121	17	stretching	stretch	VERB
eurjchem-286	121	18	frequencies	frequency	NOUN
eurjchem-286	121	19	of	of	ADP
eurjchem-286	121	20	3mpa	3mpa	NUM
eurjchem-286	121	21	than	than	ADP
eurjchem-286	121	22	that	that	PRON
eurjchem-286	121	23	of	of	ADP
eurjchem-286	121	24	npa	npa	PROPN
eurjchem-286	121	25	.	.	PUNCT
eurjchem-286	122	1	this	this	PRON
eurjchem-286	122	2	clearly	clearly	ADV
eurjchem-286	122	3	confirms	confirm	VERB
eurjchem-286	122	4	that	that	SCONJ
eurjchem-286	122	5	the	the	DET
eurjchem-286	122	6	steric	steric	ADJ
eurjchem-286	122	7	effect	effect	NOUN
eurjchem-286	122	8	due	due	ADP
eurjchem-286	122	9	to	to	ADP
eurjchem-286	122	10	methyl	methyl	NOUN
eurjchem-286	122	11	group	group	NOUN
eurjchem-286	122	12	is	be	AUX
eurjchem-286	122	13	not	not	PART
eurjchem-286	122	14	significantly	significantly	ADV
eurjchem-286	122	15	operating	operate	VERB
eurjchem-286	122	16	on	on	ADP
eurjchem-286	122	17	the	the	DET
eurjchem-286	122	18	n‐h	n‐h	PRON
eurjchem-286	122	19	stretching	stretch	VERB
eurjchem-286	122	20	.	.	PUNCT
eurjchem-286	123	1	the	the	DET
eurjchem-286	123	2	frequencies	frequency	NOUN
eurjchem-286	123	3	observed	observe	VERB
eurjchem-286	123	4	at	at	ADP
eurjchem-286	123	5	1554	1554	NUM
eurjchem-286	123	6	and	and	CCONJ
eurjchem-286	123	7	1555	1555	NUM
eurjchem-286	123	8	cm‐1	cm‐1	NOUN
eurjchem-286	123	9	in	in	ADP
eurjchem-286	123	10	3mpa	3mpa	PROPN
eurjchem-286	123	11	are	be	AUX
eurjchem-286	123	12	ascribed	ascribe	VERB
eurjchem-286	123	13	to	to	ADP
eurjchem-286	123	14	the	the	DET
eurjchem-286	123	15	amide‐ii	amide‐ii	NOUN
eurjchem-286	123	16	band	band	NOUN
eurjchem-286	123	17	,	,	PUNCT
eurjchem-286	123	18	n‐h	n‐h	DET
eurjchem-286	123	19	in‐plane	in‐plane	ADJ
eurjchem-286	123	20	bending	bending	NOUN
eurjchem-286	123	21	mode	mode	NOUN
eurjchem-286	123	22	.	.	PUNCT
eurjchem-286	124	1	shift	shift	NOUN
eurjchem-286	124	2	in	in	ADP
eurjchem-286	124	3	the	the	DET
eurjchem-286	124	4	lower	low	ADJ
eurjchem-286	124	5	frequency	frequency	NOUN
eurjchem-286	124	6	side	side	NOUN
eurjchem-286	124	7	with	with	ADP
eurjchem-286	124	8	that	that	PRON
eurjchem-286	124	9	of	of	ADP
eurjchem-286	124	10	2mpa	2mpa	PROPN
eurjchem-286	124	11	(	(	PUNCT
eurjchem-286	124	12	1588	1588	NUM
eurjchem-286	124	13	and	and	CCONJ
eurjchem-286	124	14	1590	1590	NUM
eurjchem-286	124	15	cm‐1	cm‐1	NOUN
eurjchem-286	124	16	)	)	PUNCT
eurjchem-286	124	17	shows	show	VERB
eurjchem-286	124	18	that	that	SCONJ
eurjchem-286	124	19	the	the	DET
eurjchem-286	124	20	methyl	methyl	NOUN
eurjchem-286	124	21	group	group	NOUN
eurjchem-286	124	22	in	in	ADP
eurjchem-286	124	23	3mpa	3mpa	PROPN
eurjchem-286	124	24	exerts	exert	VERB
eurjchem-286	124	25	less	less	ADV
eurjchem-286	124	26	steric	steric	ADJ
eurjchem-286	124	27	influence	influence	NOUN
eurjchem-286	124	28	on	on	ADP
eurjchem-286	124	29	the	the	DET
eurjchem-286	124	30	n‐h	n‐h	NUM
eurjchem-286	124	31	bond	bond	NOUN
eurjchem-286	124	32	.	.	PUNCT
eurjchem-286	125	1	the	the	DET
eurjchem-286	125	2	c‐n	c‐n	PROPN
eurjchem-286	125	3	stretching	stretch	VERB
eurjchem-286	125	4	mode	mode	NOUN
eurjchem-286	125	5	,	,	PUNCT
eurjchem-286	125	6	the	the	DET
eurjchem-286	125	7	amide‐iii	amide‐iii	NOUN
eurjchem-286	125	8	band	band	NOUN
eurjchem-286	125	9	,	,	PUNCT
eurjchem-286	125	10	of	of	ADP
eurjchem-286	125	11	3mpa	3mpa	PROPN
eurjchem-286	125	12	is	be	AUX
eurjchem-286	125	13	assigned	assign	VERB
eurjchem-286	125	14	at	at	ADP
eurjchem-286	125	15	1335	1335	NUM
eurjchem-286	125	16	cm‐1	cm‐1	NOUN
eurjchem-286	125	17	in	in	ADP
eurjchem-286	125	18	ir	ir	PROPN
eurjchem-286	125	19	and	and	CCONJ
eurjchem-286	125	20	raman	raman	PROPN
eurjchem-286	125	21	spectra	spectra	NOUN
eurjchem-286	125	22	,	,	PUNCT
eurjchem-286	125	23	respectively	respectively	ADV
eurjchem-286	125	24	.	.	PUNCT
eurjchem-286	126	1	the	the	DET
eurjchem-286	126	2	spectral	spectral	ADJ
eurjchem-286	126	3	data	datum	NOUN
eurjchem-286	126	4	indicates	indicate	VERB
eurjchem-286	126	5	that	that	SCONJ
eurjchem-286	126	6	no	no	DET
eurjchem-286	126	7	rise	rise	NOUN
eurjchem-286	126	8	in	in	ADP
eurjchem-286	126	9	c‐n	c‐n	NOUN
eurjchem-286	126	10	stretching	stretch	VERB
eurjchem-286	126	11	frequencies	frequency	NOUN
eurjchem-286	126	12	of	of	ADP
eurjchem-286	126	13	3mpa	3mpa	PROPN
eurjchem-286	126	14	and	and	CCONJ
eurjchem-286	126	15	there	there	PRON
eurjchem-286	126	16	is	be	VERB
eurjchem-286	126	17	no	no	DET
eurjchem-286	126	18	hyper	hyper	ADJ
eurjchem-286	126	19	conjugative	conjugative	ADJ
eurjchem-286	126	20	influence	influence	NOUN
eurjchem-286	126	21	of	of	ADP
eurjchem-286	126	22	the	the	DET
eurjchem-286	126	23	methyl	methyl	NOUN
eurjchem-286	126	24	group	group	NOUN
eurjchem-286	126	25	towards	towards	ADP
eurjchem-286	126	26	the	the	DET
eurjchem-286	126	27	c‐	c‐	NOUN
eurjchem-286	126	28	n	n	PRON
eurjchem-286	126	29	bond	bond	NOUN
eurjchem-286	126	30	.	.	PUNCT
eurjchem-286	127	1	74	74	NUM
eurjchem-286	127	2	arjunan	arjunan	ADJ
eurjchem-286	127	3	et	et	PROPN
eurjchem-286	127	4	al	al	PROPN
eurjchem-286	127	5	.	.	PUNCT
eurjchem-286	127	6	/	/	SYM
eurjchem-286	127	7	european	european	PROPN
eurjchem-286	127	8	journal	journal	PROPN
eurjchem-286	127	9	of	of	ADP
eurjchem-286	127	10	chemistry	chemistry	NOUN
eurjchem-286	127	11	2	2	NUM
eurjchem-286	127	12	(	(	PUNCT
eurjchem-286	127	13	1	1	NUM
eurjchem-286	127	14	)	)	PUNCT
eurjchem-286	127	15	(	(	PUNCT
eurjchem-286	127	16	2011	2011	NUM
eurjchem-286	127	17	)	)	PUNCT
eurjchem-286	127	18	70‐76	70‐76	NOUN
eurjchem-286	127	19	table	table	NOUN
eurjchem-286	127	20	3	3	NUM
eurjchem-286	127	21	.	.	PUNCT
eurjchem-286	128	1	the	the	DET
eurjchem-286	128	2	observed	observed	ADJ
eurjchem-286	128	3	ft‐ir	ft‐ir	NOUN
eurjchem-286	128	4	,	,	PUNCT
eurjchem-286	128	5	ft‐raman	ft‐raman	NOUN
eurjchem-286	128	6	and	and	CCONJ
eurjchem-286	128	7	calculated	calculated	ADJ
eurjchem-286	128	8	frequencies	frequency	NOUN
eurjchem-286	128	9	using	use	VERB
eurjchem-286	128	10	hf/6–311++g(d	hf/6–311++g(d	NOUN
eurjchem-286	128	11	,	,	PUNCT
eurjchem-286	128	12	p	p	NOUN
eurjchem-286	128	13	)	)	PUNCT
eurjchem-286	128	14	and	and	CCONJ
eurjchem-286	128	15	b3lyp/6–311++g(d	b3lyp/6–311++g(d	PROPN
eurjchem-286	128	16	,	,	PUNCT
eurjchem-286	128	17	p	p	NOUN
eurjchem-286	128	18	)	)	PUNCT
eurjchem-286	128	19	force	force	NOUN
eurjchem-286	128	20	field	field	NOUN
eurjchem-286	128	21	along	along	ADP
eurjchem-286	128	22	with	with	ADP
eurjchem-286	128	23	their	their	PRON
eurjchem-286	128	24	relative	relative	ADJ
eurjchem-286	128	25	intensities	intensity	NOUN
eurjchem-286	128	26	,	,	PUNCT
eurjchem-286	128	27	probable	probable	ADJ
eurjchem-286	128	28	assignments	assignment	NOUN
eurjchem-286	128	29	and	and	CCONJ
eurjchem-286	128	30	potential	potential	ADJ
eurjchem-286	128	31	energy	energy	NOUN
eurjchem-286	128	32	distribution	distribution	NOUN
eurjchem-286	128	33	(	(	PUNCT
eurjchem-286	128	34	ped	ped	NOUN
eurjchem-286	128	35	)	)	PUNCT
eurjchem-286	128	36	n‐(3‐methylphenyl)‐2,2‐dichloroacetamidea	n‐(3‐methylphenyl)‐2,2‐dichloroacetamidea	NOUN
eurjchem-286	128	37	.	.	PUNCT
eurjchem-286	129	1	sp	sp	ADP
eurjchem-286	129	2	ec	ec	PROPN
eurjchem-286	129	3	ie	ie	X
eurjchem-286	129	4	s	s	PART
eurjchem-286	129	5	observed	observed	ADJ
eurjchem-286	129	6	wavenumber	wavenumber	NOUN
eurjchem-286	129	7	(	(	PUNCT
eurjchem-286	129	8	cm‐1	cm‐1	NOUN
eurjchem-286	129	9	)	)	PUNCT
eurjchem-286	129	10	hf/6–311++g(d	hf/6–311++g(d	NOUN
eurjchem-286	129	11	,	,	PUNCT
eurjchem-286	129	12	p	p	NOUN
eurjchem-286	129	13	)	)	PUNCT
eurjchem-286	129	14	calculated	calculate	VERB
eurjchem-286	129	15	wavenumber	wavenumber	NOUN
eurjchem-286	129	16	b3lyp/6–311++g(d	b3lyp/6–311++g(d	PROPN
eurjchem-286	129	17	,	,	PUNCT
eurjchem-286	129	18	p	p	NOUN
eurjchem-286	129	19	)	)	PUNCT
eurjchem-286	129	20	calculated	calculate	VERB
eurjchem-286	129	21	wavenumber	wavenumber	NOUN
eurjchem-286	129	22	dpr	dpr	PROPN
eurjchem-286	129	23	assign	assign	VERB
eurjchem-286	129	24	.	.	PUNCT
eurjchem-286	130	1	%	%	INTJ
eurjchem-286	130	2	ped	ped	ADJ
eurjchem-286	130	3	ft‐ir	ft‐ir	NOUN
eurjchem-286	130	4	ft‐r	ft‐r	ADV
eurjchem-286	130	5	unscaled	unscaled	ADJ
eurjchem-286	130	6	(	(	PUNCT
eurjchem-286	130	7	cm‐1	cm‐1	NOUN
eurjchem-286	130	8	)	)	PUNCT
eurjchem-286	130	9	scaled	scale	VERB
eurjchem-286	130	10	(	(	PUNCT
eurjchem-286	130	11	cm‐1	cm‐1	NOUN
eurjchem-286	130	12	)	)	PUNCT
eurjchem-286	130	13	ir	ir	PROPN
eurjchem-286	130	14	intensity	intensity	NOUN
eurjchem-286	130	15	raman	raman	NOUN
eurjchem-286	130	16	activity	activity	NOUN
eurjchem-286	130	17	unscaled	unscale	VERB
eurjchem-286	130	18	(	(	PUNCT
eurjchem-286	130	19	cm‐1	cm‐1	NOUN
eurjchem-286	130	20	)	)	PUNCT
eurjchem-286	130	21	scaled	scale	VERB
eurjchem-286	130	22	(	(	PUNCT
eurjchem-286	130	23	cm‐1	cm‐1	NOUN
eurjchem-286	130	24	)	)	PUNCT
eurjchem-286	130	25	ir	ir	PROPN
eurjchem-286	130	26	intensity	intensity	PROPN
eurjchem-286	130	27	a	a	PROPN
eurjchem-286	130	28	3245	3245	NUM
eurjchem-286	130	29	vs	vs	ADP
eurjchem-286	130	30	3247	3247	NUM
eurjchem-286	130	31	w	w	PROPN
eurjchem-286	130	32	3863	3863	NUM
eurjchem-286	130	33	3245	3245	NUM
eurjchem-286	130	34	44.64	44.64	NUM
eurjchem-286	130	35	49.66	49.66	NUM
eurjchem-286	130	36	3594	3594	NUM
eurjchem-286	130	37	3235	3235	NUM
eurjchem-286	130	38	29.33	29.33	NUM
eurjchem-286	130	39	0.13	0.13	NUM
eurjchem-286	130	40	νnh	νnh	ADJ
eurjchem-286	130	41	95nh	95nh	PROPN
eurjchem-286	130	42	a	a	PROPN
eurjchem-286	130	43	3104	3104	NUM
eurjchem-286	130	44	m	m	PROPN
eurjchem-286	130	45	3419	3419	NUM
eurjchem-286	130	46	3111	3111	NUM
eurjchem-286	130	47	2.65	2.65	NUM
eurjchem-286	130	48	46.47	46.47	NUM
eurjchem-286	130	49	3242	3242	NUM
eurjchem-286	130	50	3112	3112	NUM
eurjchem-286	130	51	4.19	4.19	NUM
eurjchem-286	130	52	0.21	0.21	NUM
eurjchem-286	130	53	νch	νch	PROPN
eurjchem-286	130	54	92ch	92ch	PROPN
eurjchem-286	130	55	a	a	PROPN
eurjchem-286	130	56	3075	3075	NUM
eurjchem-286	130	57	s	s	PROPN
eurjchem-286	130	58	3368	3368	NUM
eurjchem-286	130	59	3065	3065	NUM
eurjchem-286	130	60	2.40	2.40	NUM
eurjchem-286	130	61	62.64	62.64	NUM
eurjchem-286	130	62	3186	3186	NUM
eurjchem-286	130	63	3059	3059	NUM
eurjchem-286	130	64	1.57	1.57	NUM
eurjchem-286	130	65	0.22	0.22	NUM
eurjchem-286	130	66	νch	νch	NUM
eurjchem-286	130	67	93ch	93ch	PROPN
eurjchem-286	130	68	a	a	PROPN
eurjchem-286	130	69	3060	3060	NUM
eurjchem-286	130	70	s	s	PART
eurjchem-286	130	71	3342	3342	NUM
eurjchem-286	130	72	3041	3041	NUM
eurjchem-286	130	73	21.29	21.29	NUM
eurjchem-286	130	74	160.39	160.39	NUM
eurjchem-286	130	75	3183	3183	NUM
eurjchem-286	130	76	3056	3056	NUM
eurjchem-286	130	77	16.80	16.80	NUM
eurjchem-286	130	78	0.21	0.21	NUM
eurjchem-286	130	79	νc‐h(cl2	νc‐h(cl2	PROPN
eurjchem-286	130	80	)	)	PUNCT
eurjchem-286	130	81	94ch	94ch	PROPN
eurjchem-286	130	82	a	a	PROPN
eurjchem-286	130	83	3043	3043	NUM
eurjchem-286	130	84	m	m	PROPN
eurjchem-286	130	85	3323	3323	NUM
eurjchem-286	130	86	3024	3024	NUM
eurjchem-286	130	87	7.43	7.43	NUM
eurjchem-286	130	88	60.32	60.32	NUM
eurjchem-286	130	89	3165	3165	NUM
eurjchem-286	130	90	3038	3038	NUM
eurjchem-286	130	91	6.29	6.29	NUM
eurjchem-286	130	92	0.75	0.75	NUM
eurjchem-286	130	93	νch	νch	PROPN
eurjchem-286	130	94	92ch	92ch	PROPN
eurjchem-286	130	95	a	a	PROPN
eurjchem-286	130	96	3014	3014	NUM
eurjchem-286	130	97	vw	vw	PROPN
eurjchem-286	130	98	3299	3299	NUM
eurjchem-286	130	99	3002	3002	NUM
eurjchem-286	130	100	17.04	17.04	NUM
eurjchem-286	130	101	54.84	54.84	NUM
eurjchem-286	130	102	3139	3139	NUM
eurjchem-286	130	103	3013	3013	NUM
eurjchem-286	130	104	12.93	12.93	NUM
eurjchem-286	130	105	0.28	0.28	NUM
eurjchem-286	130	106	νch	νch	PROPN
eurjchem-286	130	107	94ch	94ch	NUM
eurjchem-286	130	108	a	a	PROPN
eurjchem-286	130	109	2998	2998	NUM
eurjchem-286	130	110	m	m	PROPN
eurjchem-286	130	111	2999	2999	NUM
eurjchem-286	130	112	s	s	NOUN
eurjchem-286	130	113	3247	3247	NUM
eurjchem-286	130	114	2955	2955	NUM
eurjchem-286	130	115	23.25	23.25	NUM
eurjchem-286	130	116	61.83	61.83	NUM
eurjchem-286	130	117	3106	3106	NUM
eurjchem-286	130	118	2982	2982	NUM
eurjchem-286	130	119	16.07	16.07	NUM
eurjchem-286	130	120	0.71	0.71	NUM
eurjchem-286	130	121	νach3	νach3	ADJ
eurjchem-286	130	122	93ch	93ch	NUM
eurjchem-286	130	123	a	a	PROPN
eurjchem-286	130	124	2955	2955	NUM
eurjchem-286	130	125	vw	vw	PROPN
eurjchem-286	130	126	2956	2956	NUM
eurjchem-286	130	127	vw	vw	PROPN
eurjchem-286	130	128	3219	3219	NUM
eurjchem-286	130	129	2929	2929	NUM
eurjchem-286	130	130	23.33	23.33	NUM
eurjchem-286	130	131	72.52	72.52	NUM
eurjchem-286	130	132	3075	3075	NUM
eurjchem-286	130	133	2952	2952	NUM
eurjchem-286	130	134	14.93	14.93	NUM
eurjchem-286	130	135	0.75	0.75	NUM
eurjchem-286	130	136	νach3	νach3	ADJ
eurjchem-286	130	137	96ch	96ch	NUM
eurjchem-286	130	138	a	a	PROPN
eurjchem-286	130	139	2922	2922	NUM
eurjchem-286	130	140	vw	vw	PROPN
eurjchem-286	130	141	2923	2923	NUM
eurjchem-286	130	142	s	s	PROPN
eurjchem-286	130	143	3168	3168	NUM
eurjchem-286	130	144	2883	2883	NUM
eurjchem-286	130	145	35.18	35.18	NUM
eurjchem-286	130	146	184.68	184.68	NUM
eurjchem-286	130	147	3026	3026	NUM
eurjchem-286	130	148	2905	2905	NUM
eurjchem-286	130	149	29.16	29.16	NUM
eurjchem-286	130	150	0.03	0.03	NUM
eurjchem-286	130	151	νsch3	νsch3	PROPN
eurjchem-286	130	152	92ch	92ch	PROPN
eurjchem-286	130	153	a	a	PROPN
eurjchem-286	130	154	1680	1680	NUM
eurjchem-286	130	155	s	s	PROPN
eurjchem-286	130	156	1678	1678	NUM
eurjchem-286	130	157	vs	vs	ADP
eurjchem-286	130	158	1951	1951	NUM
eurjchem-286	130	159	1678	1678	NUM
eurjchem-286	130	160	379.46	379.46	NUM
eurjchem-286	130	161	30.32	30.32	NUM
eurjchem-286	130	162	1761	1761	NUM
eurjchem-286	130	163	1691	1691	NUM
eurjchem-286	130	164	339.16	339.16	NUM
eurjchem-286	130	165	0.18	0.18	NUM
eurjchem-286	130	166	νc	νc	NOUN
eurjchem-286	130	167	=	=	NOUN
eurjchem-286	130	168	o	o	X
eurjchem-286	130	169	96c	96c	NUM
eurjchem-286	130	170	=	=	NOUN
eurjchem-286	130	171	o	o	PROPN
eurjchem-286	130	172	a	a	PROPN
eurjchem-286	130	173	1801	1801	NUM
eurjchem-286	130	174	1639	1639	NUM
eurjchem-286	130	175	238.01	238.01	NUM
eurjchem-286	130	176	29.75	29.75	NUM
eurjchem-286	130	177	1651	1651	NUM
eurjchem-286	130	178	1634	1634	NUM
eurjchem-286	130	179	134.39	134.39	NUM
eurjchem-286	130	180	0.57	0.57	NUM
eurjchem-286	130	181	νc	νc	NOUN
eurjchem-286	130	182	=	=	NOUN
eurjchem-286	130	183	c	c	NOUN
eurjchem-286	130	184	92c	92c	NUM
eurjchem-286	130	185	=	=	SYM
eurjchem-286	130	186	c	c	PROPN
eurjchem-286	130	187	a	a	PROPN
eurjchem-286	130	188	1594	1594	NUM
eurjchem-286	130	189	s	s	NOUN
eurjchem-286	130	190	1595	1595	NUM
eurjchem-286	130	191	vs	vs	ADP
eurjchem-286	130	192	1778	1778	NUM
eurjchem-286	130	193	1618	1618	NUM
eurjchem-286	130	194	5.72	5.72	NUM
eurjchem-286	130	195	53.82	53.82	NUM
eurjchem-286	130	196	1632	1632	NUM
eurjchem-286	130	197	1616	1616	NUM
eurjchem-286	130	198	2.47	2.47	NUM
eurjchem-286	130	199	0.54	0.54	NUM
eurjchem-286	130	200	νc	νc	NOUN
eurjchem-286	130	201	=	=	NOUN
eurjchem-286	130	202	c	c	NOUN
eurjchem-286	130	203	91c	91c	NUM
eurjchem-286	130	204	=	=	SYM
eurjchem-286	130	205	c	c	PROPN
eurjchem-286	130	206	a	a	PROPN
eurjchem-286	130	207	1554	1554	NUM
eurjchem-286	130	208	vs	vs	ADP
eurjchem-286	130	209	1555	1555	NUM
eurjchem-286	130	210	s	s	NOUN
eurjchem-286	130	211	1732	1732	NUM
eurjchem-286	130	212	1576	1576	NUM
eurjchem-286	130	213	389.06	389.06	NUM
eurjchem-286	130	214	19.71	19.71	NUM
eurjchem-286	130	215	1584	1584	NUM
eurjchem-286	130	216	1568	1568	NUM
eurjchem-286	130	217	259.16	259.16	NUM
eurjchem-286	130	218	0.43	0.43	NUM
eurjchem-286	130	219	βn‐h	βn‐h	ADP
eurjchem-286	130	220	93nh	93nh	NUM
eurjchem-286	130	221	a	a	PROPN
eurjchem-286	130	222	1650	1650	NUM
eurjchem-286	130	223	1502	1502	NUM
eurjchem-286	130	224	159.81	159.81	NUM
eurjchem-286	130	225	4.28	4.28	NUM
eurjchem-286	130	226	1523	1523	NUM
eurjchem-286	130	227	1508	1508	NUM
eurjchem-286	130	228	145.34	145.34	NUM
eurjchem-286	130	229	0.22	0.22	NUM
eurjchem-286	130	230	νc	νc	NOUN
eurjchem-286	130	231	=	=	NOUN
eurjchem-286	130	232	c	c	NOUN
eurjchem-286	130	233	88c	88c	NUM
eurjchem-286	130	234	=	=	SYM
eurjchem-286	130	235	c	c	PART
eurjchem-286	130	236	a	a	PROPN
eurjchem-286	130	237	1482	1482	NUM
eurjchem-286	130	238	m	m	PROPN
eurjchem-286	130	239	1615	1615	NUM
eurjchem-286	130	240	1470	1470	NUM
eurjchem-286	130	241	12.42	12.42	NUM
eurjchem-286	130	242	4.60	4.60	NUM
eurjchem-286	130	243	1498	1498	NUM
eurjchem-286	130	244	1483	1483	NUM
eurjchem-286	130	245	14.41	14.41	NUM
eurjchem-286	130	246	0.74	0.74	NUM
eurjchem-286	130	247	δach3	δach3	NOUN
eurjchem-286	130	248	91ch3	91ch3	PROPN
eurjchem-286	130	249	a	a	PROPN
eurjchem-286	130	250	1447	1447	NUM
eurjchem-286	130	251	m	m	PROPN
eurjchem-286	130	252	1447	1447	NUM
eurjchem-286	130	253	vw	vw	PROPN
eurjchem-286	130	254	1605	1605	NUM
eurjchem-286	130	255	1461	1461	NUM
eurjchem-286	130	256	6.99	6.99	NUM
eurjchem-286	130	257	9.82	9.82	NUM
eurjchem-286	130	258	1488	1488	NUM
eurjchem-286	130	259	1473	1473	NUM
eurjchem-286	130	260	7.95	7.95	NUM
eurjchem-286	130	261	0.75	0.75	NUM
eurjchem-286	130	262	δach3	δach3	PROPN
eurjchem-286	130	263	93ch3	93ch3	PROPN
eurjchem-286	130	264	a	a	PROPN
eurjchem-286	130	265	1432	1432	NUM
eurjchem-286	130	266	w	w	PROPN
eurjchem-286	130	267	1562	1562	NUM
eurjchem-286	130	268	1421	1421	NUM
eurjchem-286	130	269	43.17	43.17	NUM
eurjchem-286	130	270	2.52	2.52	NUM
eurjchem-286	130	271	1443	1443	NUM
eurjchem-286	130	272	1429	1429	NUM
eurjchem-286	130	273	42.11	42.11	NUM
eurjchem-286	130	274	0.66	0.66	NUM
eurjchem-286	130	275	νc‐c	νc‐c	X
eurjchem-286	130	276	85cc	85cc	NUM
eurjchem-286	130	277	a	a	PROPN
eurjchem-286	130	278	1410	1410	NUM
eurjchem-286	130	279	vw	vw	PROPN
eurjchem-286	130	280	1538	1538	NUM
eurjchem-286	130	281	1400	1400	NUM
eurjchem-286	130	282	3.55	3.55	NUM
eurjchem-286	130	283	6.16	6.16	NUM
eurjchem-286	130	284	1417	1417	NUM
eurjchem-286	130	285	1403	1403	NUM
eurjchem-286	130	286	1.30	1.30	NUM
eurjchem-286	130	287	0.29	0.29	NUM
eurjchem-286	130	288	νc‐c	νc‐c	NOUN
eurjchem-286	130	289	87cc	87cc	PROPN
eurjchem-286	130	290	a	a	PROPN
eurjchem-286	130	291	1357	1357	NUM
eurjchem-286	130	292	s	s	PART
eurjchem-286	130	293	1456	1456	NUM
eurjchem-286	130	294	1325	1325	NUM
eurjchem-286	130	295	47.04	47.04	NUM
eurjchem-286	130	296	3.08	3.08	NUM
eurjchem-286	130	297	1348	1348	NUM
eurjchem-286	130	298	1335	1335	NUM
eurjchem-286	130	299	7.38	7.38	NUM
eurjchem-286	131	1	0.17	0.17	NUM
eurjchem-286	131	2	νc‐c	νc‐c	X
eurjchem-286	131	3	82cc	82cc	PROPN
eurjchem-286	131	4	a	a	PROPN
eurjchem-286	131	5	1335	1335	NUM
eurjchem-286	131	6	m	m	PROPN
eurjchem-286	131	7	1335	1335	NUM
eurjchem-286	131	8	m	m	PROPN
eurjchem-286	131	9	1411	1411	NUM
eurjchem-286	131	10	1284	1284	NUM
eurjchem-286	131	11	215.28	215.28	NUM
eurjchem-286	131	12	32.94	32.94	NUM
eurjchem-286	131	13	1337	1337	NUM
eurjchem-286	131	14	1324	1324	NUM
eurjchem-286	131	15	80.19	80.19	NUM
eurjchem-286	131	16	0.10	0.10	NUM
eurjchem-286	131	17	νc‐n	νc‐n	NOUN
eurjchem-286	131	18	84cn	84cn	NUM
eurjchem-286	131	19	a	a	PROPN
eurjchem-286	131	20	1283	1283	NUM
eurjchem-286	131	21	w	w	PROPN
eurjchem-286	131	22	1283	1283	NUM
eurjchem-286	131	23	vw	vw	PROPN
eurjchem-286	131	24	1389	1389	NUM
eurjchem-286	131	25	1264	1264	NUM
eurjchem-286	131	26	22.57	22.57	NUM
eurjchem-286	131	27	8.97	8.97	NUM
eurjchem-286	131	28	1285	1285	NUM
eurjchem-286	131	29	1272	1272	NUM
eurjchem-286	131	30	22.29	22.29	NUM
eurjchem-286	131	31	0.17	0.17	NUM
eurjchem-286	131	32	δsch3	δsch3	ADJ
eurjchem-286	131	33	90ch3	90ch3	NUM
eurjchem-286	131	34	a	a	PROPN
eurjchem-286	131	35	1260	1260	NUM
eurjchem-286	131	36	w	w	PROPN
eurjchem-286	131	37	1262	1262	NUM
eurjchem-286	131	38	s	s	NOUN
eurjchem-286	131	39	1381	1381	NUM
eurjchem-286	131	40	1257	1257	NUM
eurjchem-286	131	41	30.49	30.49	NUM
eurjchem-286	131	42	5.62	5.62	NUM
eurjchem-286	131	43	1273	1273	NUM
eurjchem-286	131	44	1260	1260	NUM
eurjchem-286	131	45	19.33	19.33	NUM
eurjchem-286	131	46	0.75	0.75	NUM
eurjchem-286	131	47	βc‐h(cl2	βc‐h(cl2	PROPN
eurjchem-286	131	48	)	)	PUNCT
eurjchem-286	131	49	83ch	83ch	NUM
eurjchem-286	132	1	+	+	CCONJ
eurjchem-286	132	2	12cc	12cc	NUM
eurjchem-286	132	3	a	a	PROPN
eurjchem-286	132	4	1358	1358	NUM
eurjchem-286	132	5	1236	1236	NUM
eurjchem-286	132	6	11.18	11.18	NUM
eurjchem-286	132	7	19.36	19.36	NUM
eurjchem-286	132	8	1253	1253	NUM
eurjchem-286	132	9	1240	1240	NUM
eurjchem-286	132	10	21.66	21.66	NUM
eurjchem-286	132	11	0.17	0.17	NUM
eurjchem-286	132	12	νn‐(c6h5	νn‐(c6h5	NOUN
eurjchem-286	132	13	)	)	PUNCT
eurjchem-286	132	14	87nc	87nc	PROPN
eurjchem-286	132	15	a	a	PROPN
eurjchem-286	132	16	1217	1217	NUM
eurjchem-286	132	17	vw	vw	PROPN
eurjchem-286	132	18	1315	1315	NUM
eurjchem-286	132	19	1197	1197	NUM
eurjchem-286	132	20	3.78	3.78	NUM
eurjchem-286	132	21	0.26	0.26	NUM
eurjchem-286	132	22	1229	1229	NUM
eurjchem-286	132	23	1217	1217	NUM
eurjchem-286	132	24	35.54	35.54	NUM
eurjchem-286	132	25	0.13	0.13	NUM
eurjchem-286	132	26	νc‐c	νc‐c	NOUN
eurjchem-286	132	27	84cc	84cc	NUM
eurjchem-286	132	28	a	a	PROPN
eurjchem-286	132	29	1199	1199	NUM
eurjchem-286	132	30	s	s	NOUN
eurjchem-286	132	31	1200	1200	NUM
eurjchem-286	132	32	m	m	PROPN
eurjchem-286	132	33	1281	1281	NUM
eurjchem-286	132	34	1166	1166	NUM
eurjchem-286	132	35	13.60	13.60	NUM
eurjchem-286	132	36	11.47	11.47	NUM
eurjchem-286	132	37	1197	1197	NUM
eurjchem-286	132	38	1185	1185	NUM
eurjchem-286	132	39	3.32	3.32	NUM
eurjchem-286	132	40	0.34	0.34	NUM
eurjchem-286	132	41	γc‐h(cl2	γc‐h(cl2	PROPN
eurjchem-286	132	42	)	)	PUNCT
eurjchem-286	132	43	77γch	77γch	NOUN
eurjchem-286	132	44	+	+	CCONJ
eurjchem-286	132	45	16γcc	16γcc	PROPN
eurjchem-286	132	46	a	a	PROPN
eurjchem-286	132	47	1163	1163	NUM
eurjchem-286	132	48	vw	vw	PROPN
eurjchem-286	132	49	1224	1224	NUM
eurjchem-286	132	50	1114	1114	NUM
eurjchem-286	132	51	3.93	3.93	NUM
eurjchem-286	132	52	5.87	5.87	NUM
eurjchem-286	132	53	1185	1185	NUM
eurjchem-286	132	54	1173	1173	NUM
eurjchem-286	132	55	1.92	1.92	NUM
eurjchem-286	132	56	0.75	0.75	NUM
eurjchem-286	132	57	βc‐h	βc‐h	X
eurjchem-286	132	58	75ch	75ch	NUM
eurjchem-286	132	59	+	+	CCONJ
eurjchem-286	132	60	15ccc	15ccc	NUM
eurjchem-286	132	61	a	a	PROPN
eurjchem-286	132	62	1138	1138	NUM
eurjchem-286	132	63	vw	vw	PROPN
eurjchem-286	132	64	1193	1193	NUM
eurjchem-286	132	65	1086	1086	NUM
eurjchem-286	132	66	3.57	3.57	NUM
eurjchem-286	132	67	3.08	3.08	NUM
eurjchem-286	132	68	1119	1119	NUM
eurjchem-286	132	69	1108	1108	NUM
eurjchem-286	132	70	8.05	8.05	NUM
eurjchem-286	132	71	0.32	0.32	NUM
eurjchem-286	133	1	βc‐h	βc‐h	PUNCT
eurjchem-286	133	2	73ch	73ch	NUM
eurjchem-286	133	3	+	+	CCONJ
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eurjchem-286	133	5	a	a	PROPN
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eurjchem-286	133	14	1062	1062	NUM
eurjchem-286	133	15	1051	1051	NUM
eurjchem-286	133	16	2.89	2.89	NUM
eurjchem-286	133	17	0.75	0.75	NUM
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eurjchem-286	133	28	1038	1038	NUM
eurjchem-286	133	29	1028	1028	NUM
eurjchem-286	133	30	0.17	0.17	NUM
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eurjchem-286	133	32	βc‐h	βc‐h	PUNCT
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eurjchem-286	133	34	+	+	CCONJ
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eurjchem-286	133	36	a	a	PROPN
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eurjchem-286	133	40	vs	vs	ADP
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eurjchem-286	133	45	1015	1015	NUM
eurjchem-286	133	46	1005	1005	NUM
eurjchem-286	133	47	0.99	0.99	NUM
eurjchem-286	133	48	0.57	0.57	NUM
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eurjchem-286	133	51	+	+	CCONJ
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eurjchem-286	133	53	a	a	PROPN
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eurjchem-286	133	57	w	w	PROPN
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eurjchem-286	133	59	986	986	NUM
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eurjchem-286	133	61	47.51	47.51	NUM
eurjchem-286	133	62	998	998	NUM
eurjchem-286	133	63	988	988	NUM
eurjchem-286	133	64	0.64	0.64	NUM
eurjchem-286	133	65	0.07	0.07	NUM
eurjchem-286	133	66	βc‐h	βc‐h	PUNCT
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eurjchem-286	133	68	+	+	CCONJ
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eurjchem-286	133	70	a	a	PROPN
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eurjchem-286	133	72	966	966	NUM
eurjchem-286	133	73	2.59	2.59	NUM
eurjchem-286	133	74	5.59	5.59	NUM
eurjchem-286	133	75	981	981	NUM
eurjchem-286	133	76	971	971	NUM
eurjchem-286	133	77	5.03	5.03	NUM
eurjchem-286	133	78	0.02	0.02	NUM
eurjchem-286	133	79	γc‐h	γc‐h	NUM
eurjchem-286	133	80	72γch	72γch	NOUN
eurjchem-286	133	81	+	+	CCONJ
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eurjchem-286	133	83	a	a	NOUN
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eurjchem-286	134	4	vw	vw	PROPN
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eurjchem-286	134	6	925	925	NUM
eurjchem-286	134	7	5.30	5.30	NUM
eurjchem-286	134	8	0.38	0.38	NUM
eurjchem-286	134	9	920	920	NUM
eurjchem-286	134	10	911	911	NUM
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eurjchem-286	134	12	0.75	0.75	NUM
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eurjchem-286	135	10	916	916	NUM
eurjchem-286	135	11	907	907	NUM
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eurjchem-286	135	13	0.57	0.57	NUM
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eurjchem-286	137	11	868	868	NUM
eurjchem-286	137	12	859	859	NUM
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eurjchem-286	139	8	802	802	NUM
eurjchem-286	139	9	794	794	NUM
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eurjchem-286	139	11	0.75	0.75	NUM
eurjchem-286	139	12	γc‐h	γc‐h	NUM
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eurjchem-286	139	14	+	+	CCONJ
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eurjchem-286	139	21	880	880	NUM
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eurjchem-286	139	25	802	802	NUM
eurjchem-286	139	26	794	794	NUM
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eurjchem-286	140	2	o	o	NOUN
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eurjchem-286	140	4	=	=	NOUN
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eurjchem-286	141	1	+	+	CCONJ
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eurjchem-286	144	1	+	+	CCONJ
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eurjchem-286	144	12	648	648	NUM
eurjchem-286	144	13	642	642	NUM
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eurjchem-286	144	15	0.75	0.75	NUM
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eurjchem-286	144	22	+	+	CCONJ
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eurjchem-286	144	26	m	m	NUM
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eurjchem-286	144	28	m	m	NUM
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eurjchem-286	144	30	577	577	NUM
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eurjchem-286	144	33	584	584	NUM
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eurjchem-286	145	2	+	+	CCONJ
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eurjchem-286	146	2	+	+	CCONJ
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eurjchem-286	147	1	+	+	CCONJ
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eurjchem-286	147	3	a	a	NUM
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eurjchem-286	147	10	449	449	NUM
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eurjchem-286	147	29	433	433	NUM
eurjchem-286	147	30	429	429	NUM
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eurjchem-286	148	29	0.75	0.75	NUM
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eurjchem-286	149	10	267	267	NUM
eurjchem-286	149	11	264	264	NUM
eurjchem-286	149	12	0.60	0.60	NUM
eurjchem-286	149	13	0.56	0.56	NUM
eurjchem-286	149	14	γc‐c(h3	γc‐c(h3	NOUN
eurjchem-286	149	15	)	)	PUNCT
eurjchem-286	149	16	62γcc	62γcc	NOUN
eurjchem-286	150	1	+	+	CCONJ
eurjchem-286	150	2	18γch	18γch	NOUN
eurjchem-286	150	3	a	a	PROPN
eurjchem-286	150	4	231	231	NUM
eurjchem-286	150	5	vw	vw	NOUN
eurjchem-286	150	6	231	231	NUM
eurjchem-286	150	7	210	210	NUM
eurjchem-286	150	8	1.55	1.55	NUM
eurjchem-286	150	9	1.36	1.36	NUM
eurjchem-286	150	10	214	214	NUM
eurjchem-286	150	11	212	212	NUM
eurjchem-286	150	12	1.86	1.86	NUM
eurjchem-286	150	13	0.75	0.75	NUM
eurjchem-286	150	14	τccl2	τccl2	NOUN
eurjchem-286	150	15	64τccl2	64τccl2	NOUN
eurjchem-286	150	16	+	+	CCONJ
eurjchem-286	150	17	24ωccl2	24ωccl2	NOUN
eurjchem-286	150	18	a	a	PROPN
eurjchem-286	150	19	188	188	NUM
eurjchem-286	150	20	m	m	NOUN
eurjchem-286	150	21	191	191	NUM
eurjchem-286	150	22	174	174	NUM
eurjchem-286	150	23	5.86	5.86	NUM
eurjchem-286	150	24	1.14	1.14	NUM
eurjchem-286	150	25	175	175	NUM
eurjchem-286	150	26	173	173	NUM
eurjchem-286	150	27	6.38	6.38	NUM
eurjchem-286	150	28	0.32	0.32	NUM
eurjchem-286	150	29	ωccl2	ωccl2	NOUN
eurjchem-286	150	30	62ωccl2	62ωccl2	NUM
eurjchem-286	150	31	+	+	SYM
eurjchem-286	150	32	24τccl2	24τccl2	NUM
eurjchem-286	150	33	a	a	PROPN
eurjchem-286	150	34	101	101	NUM
eurjchem-286	150	35	vs	vs	ADP
eurjchem-286	150	36	185	185	NUM
eurjchem-286	150	37	168	168	NUM
eurjchem-286	150	38	5.79	5.79	NUM
eurjchem-286	150	39	0.02	0.02	NUM
eurjchem-286	150	40	169	169	NUM
eurjchem-286	150	41	167	167	NUM
eurjchem-286	150	42	3.57	3.57	NUM
eurjchem-286	150	43	0.75	0.75	NUM
eurjchem-286	150	44	ρccl2	ρccl2	NOUN
eurjchem-286	150	45	70ρccl2	70ρccl2	NUM
eurjchem-286	150	46	+	+	CCONJ
eurjchem-286	150	47	18ch	18ch	NUM
eurjchem-286	150	48	a	a	PROPN
eurjchem-286	150	49	102	102	NUM
eurjchem-286	150	50	93	93	NUM
eurjchem-286	150	51	0.10	0.10	NUM
eurjchem-286	150	52	0.48	0.48	NUM
eurjchem-286	150	53	93	93	NUM
eurjchem-286	150	54	93	93	NUM
eurjchem-286	150	55	0.14	0.14	NUM
eurjchem-286	150	56	0.74	0.74	NUM
eurjchem-286	150	57	γccc	γccc	NOUN
eurjchem-286	150	58	65γccc	65γccc	NOUN
eurjchem-286	151	1	+	+	CCONJ
eurjchem-286	151	2	24γch	24γch	NOUN
eurjchem-286	151	3	a	a	PROPN
eurjchem-286	151	4	50	50	NUM
eurjchem-286	151	5	50	50	NUM
eurjchem-286	151	6	0.06	0.06	NUM
eurjchem-286	151	7	3.59	3.59	NUM
eurjchem-286	151	8	55	55	NUM
eurjchem-286	151	9	55	55	NUM
eurjchem-286	151	10	4.96	4.96	NUM
eurjchem-286	151	11	0.75	0.75	NUM
eurjchem-286	151	12	γccc	γccc	NOUN
eurjchem-286	151	13	61γccc	61γccc	X
eurjchem-286	152	1	+	+	NUM
eurjchem-286	152	2	21γch	21γch	NOUN
eurjchem-286	152	3	a	a	NOUN
eurjchem-286	152	4	49	49	NUM
eurjchem-286	152	5	49	49	NUM
eurjchem-286	152	6	7.76	7.76	NUM
eurjchem-286	152	7	0.21	0.21	NUM
eurjchem-286	152	8	46	46	NUM
eurjchem-286	152	9	46	46	NUM
eurjchem-286	152	10	0.45	0.45	NUM
eurjchem-286	152	11	0.75	0.75	NUM
eurjchem-286	152	12	γccc	γccc	NOUN
eurjchem-286	152	13	63γccc	63γccc	PUNCT
eurjchem-286	153	1	+	+	NUM
eurjchem-286	153	2	24γch	24γch	NOUN
eurjchem-286	153	3	a	a	PROPN
eurjchem-286	153	4	35	35	NUM
eurjchem-286	153	5	35	35	NUM
eurjchem-286	153	6	0.68	0.68	NUM
eurjchem-286	153	7	3.89	3.89	NUM
eurjchem-286	153	8	32	32	NUM
eurjchem-286	153	9	32	32	NUM
eurjchem-286	153	10	1.58	1.58	NUM
eurjchem-286	153	11	0.75	0.75	NUM
eurjchem-286	153	12	γccc	γccc	NOUN
eurjchem-286	153	13	62γccc	62γccc	NOUN
eurjchem-286	154	1	+	+	CCONJ
eurjchem-286	154	2	22γch	22γch	NOUN
eurjchem-286	154	3	a	a	PROPN
eurjchem-286	154	4	15	15	NUM
eurjchem-286	154	5	15	15	NUM
eurjchem-286	154	6	0.08	0.08	NUM
eurjchem-286	154	7	0.09	0.09	NUM
eurjchem-286	154	8	14	14	NUM
eurjchem-286	154	9	14	14	NUM
eurjchem-286	154	10	0.02	0.02	NUM
eurjchem-286	154	11	0.75	0.75	NUM
eurjchem-286	154	12	τch3	τch3	NOUN
eurjchem-286	154	13	90τch3	90τch3	PROPN
eurjchem-286	154	14	a	a	DET
eurjchem-286	154	15	ν‐stretching	ν‐stretching	PROPN
eurjchem-286	154	16	;	;	PUNCT
eurjchem-286	154	17	β‐in‐plane	β‐in‐plane	NOUN
eurjchem-286	154	18	bending	bending	NOUN
eurjchem-286	154	19	;	;	PUNCT
eurjchem-286	154	20	δ‐deformation	δ‐deformation	NUM
eurjchem-286	154	21	;	;	PUNCT
eurjchem-286	154	22	ρ‐rocking	ρ‐rocking	X
eurjchem-286	154	23	;	;	PUNCT
eurjchem-286	154	24	γ‐out	γ‐out	PRON
eurjchem-286	154	25	of	of	ADP
eurjchem-286	154	26	plane	plane	NOUN
eurjchem-286	154	27	bending	bending	NOUN
eurjchem-286	154	28	;	;	PUNCT
eurjchem-286	154	29	ω‐wagging	ω‐wagging	NUM
eurjchem-286	154	30	;	;	PUNCT
eurjchem-286	154	31	τ‐twisting	τ‐twiste	VERB
eurjchem-286	154	32	/	/	SYM
eurjchem-286	154	33	torsion	torsion	NOUN
eurjchem-286	154	34	;	;	PUNCT
eurjchem-286	154	35	ir	ir	PROPN
eurjchem-286	154	36	intensities	intensity	NOUN
eurjchem-286	154	37	,	,	PUNCT
eurjchem-286	154	38	km	km	NOUN
eurjchem-286	154	39	/	/	SYM
eurjchem-286	154	40	mole	mole	NOUN
eurjchem-286	154	41	;	;	PUNCT
eurjchem-286	154	42	raman	raman	NOUN
eurjchem-286	154	43	scattering	scatter	VERB
eurjchem-286	154	44	activities	activity	NOUN
eurjchem-286	154	45	,	,	PUNCT
eurjchem-286	154	46	(	(	PUNCT
eurjchem-286	154	47	ao)4/(a.m.u	ao)4/(a.m.u	PROPN
eurjchem-286	154	48	)	)	PUNCT
eurjchem-286	154	49	;	;	PUNCT
eurjchem-286	154	50	dpr	dpr	PROPN
eurjchem-286	154	51	:	:	PUNCT
eurjchem-286	154	52	depolarization	depolarization	NOUN
eurjchem-286	154	53	ratio	ratio	NOUN
eurjchem-286	154	54	.	.	PUNCT
eurjchem-286	155	1	the	the	DET
eurjchem-286	155	2	amide‐iv	amide‐iv	NOUN
eurjchem-286	155	3	,	,	PUNCT
eurjchem-286	155	4	c	c	X
eurjchem-286	155	5	=	=	ADJ
eurjchem-286	155	6	o	o	X
eurjchem-286	155	7	in‐plane	in‐plane	ADJ
eurjchem-286	155	8	bending	bending	NOUN
eurjchem-286	155	9	of	of	ADP
eurjchem-286	155	10	3mpa	3mpa	PROPN
eurjchem-286	155	11	is	be	AUX
eurjchem-286	155	12	found	find	VERB
eurjchem-286	155	13	at	at	ADP
eurjchem-286	155	14	806	806	NUM
eurjchem-286	155	15	and	and	CCONJ
eurjchem-286	155	16	804	804	NUM
eurjchem-286	155	17	cm‐1	cm‐1	NOUN
eurjchem-286	155	18	in	in	ADP
eurjchem-286	155	19	the	the	DET
eurjchem-286	155	20	ir	ir	PROPN
eurjchem-286	155	21	and	and	CCONJ
eurjchem-286	155	22	raman	raman	NOUN
eurjchem-286	155	23	,	,	PUNCT
eurjchem-286	155	24	respectively	respectively	ADV
eurjchem-286	155	25	.	.	PUNCT
eurjchem-286	156	1	there	there	PRON
eurjchem-286	156	2	is	be	VERB
eurjchem-286	156	3	no	no	DET
eurjchem-286	156	4	significant	significant	ADJ
eurjchem-286	156	5	shift	shift	NOUN
eurjchem-286	156	6	in	in	ADP
eurjchem-286	156	7	the	the	DET
eurjchem-286	156	8	c	c	PROPN
eurjchem-286	156	9	=	=	NOUN
eurjchem-286	156	10	o	o	X
eurjchem-286	156	11	in‐plane	in‐plane	PROPN
eurjchem-286	156	12	bending	bending	NOUN
eurjchem-286	156	13	,	,	PUNCT
eurjchem-286	156	14	frequencies	frequency	NOUN
eurjchem-286	156	15	of	of	ADP
eurjchem-286	156	16	3mpa	3mpa	NUM
eurjchem-286	156	17	than	than	ADP
eurjchem-286	156	18	that	that	PRON
eurjchem-286	156	19	of	of	ADP
eurjchem-286	156	20	npa	npa	PROPN
eurjchem-286	156	21	,	,	PUNCT
eurjchem-286	156	22	2mpa	2mpa	PROPN
eurjchem-286	156	23	and	and	CCONJ
eurjchem-286	156	24	4mpa	4mpa	NOUN
eurjchem-286	156	25	.	.	PUNCT
eurjchem-286	157	1	the	the	DET
eurjchem-286	157	2	amide‐v	amide‐v	PROPN
eurjchem-286	157	3	,	,	PUNCT
eurjchem-286	157	4	the	the	DET
eurjchem-286	157	5	n‐h	n‐h	NUM
eurjchem-286	157	6	out	out	ADP
eurjchem-286	157	7	of	of	ADP
eurjchem-286	157	8	plane	plane	NOUN
eurjchem-286	157	9	bending	bending	NOUN
eurjchem-286	157	10	is	be	AUX
eurjchem-286	157	11	observed	observe	VERB
eurjchem-286	157	12	as	as	ADP
eurjchem-286	157	13	strong	strong	ADJ
eurjchem-286	157	14	and	and	CCONJ
eurjchem-286	157	15	medium	medium	ADJ
eurjchem-286	157	16	bands	band	NOUN
eurjchem-286	157	17	at	at	ADP
eurjchem-286	157	18	726	726	NUM
eurjchem-286	157	19	and	and	CCONJ
eurjchem-286	157	20	730	730	NUM
eurjchem-286	157	21	cm‐1	cm‐1	NOUN
eurjchem-286	157	22	in	in	ADP
eurjchem-286	157	23	3mpa	3mpa	PROPN
eurjchem-286	157	24	.	.	PUNCT
eurjchem-286	158	1	the	the	DET
eurjchem-286	158	2	c	c	NOUN
eurjchem-286	158	3	=	=	NOUN
eurjchem-286	158	4	o	o	X
eurjchem-286	158	5	out	out	ADP
eurjchem-286	158	6	of	of	ADP
eurjchem-286	158	7	plane	plane	NOUN
eurjchem-286	158	8	bending	bending	NOUN
eurjchem-286	158	9	of	of	ADP
eurjchem-286	158	10	3mpa	3mpa	PROPN
eurjchem-286	158	11	is	be	AUX
eurjchem-286	158	12	seen	see	VERB
eurjchem-286	158	13	at	at	ADP
eurjchem-286	158	14	658	658	NUM
eurjchem-286	158	15	cm‐1	cm‐1	NOUN
eurjchem-286	158	16	.	.	PUNCT
eurjchem-286	159	1	both	both	CCONJ
eurjchem-286	159	2	the	the	DET
eurjchem-286	159	3	amide‐v	amide‐v	NOUN
eurjchem-286	159	4	and	and	CCONJ
eurjchem-286	159	5	amide‐vi	amide‐vi	VERB
eurjchem-286	159	6	out	out	ADP
eurjchem-286	159	7	of	of	ADP
eurjchem-286	159	8	plane	plane	NOUN
eurjchem-286	159	9	bending	bend	VERB
eurjchem-286	159	10	modes	mode	NOUN
eurjchem-286	159	11	of	of	ADP
eurjchem-286	159	12	2mpa	2mpa	PROPN
eurjchem-286	159	13	,	,	PUNCT
eurjchem-286	159	14	3mpa	3mpa	PROPN
eurjchem-286	159	15	and	and	CCONJ
eurjchem-286	159	16	4mpa	4mpa	PROPN
eurjchem-286	159	17	is	be	AUX
eurjchem-286	159	18	significantly	significantly	ADV
eurjchem-286	159	19	raised	raise	VERB
eurjchem-286	159	20	than	than	ADP
eurjchem-286	159	21	that	that	PRON
eurjchem-286	159	22	of	of	ADP
eurjchem-286	159	23	npa	npa	PROPN
eurjchem-286	159	24	.	.	PUNCT
eurjchem-286	160	1	the	the	DET
eurjchem-286	160	2	ped	ped	PROPN
eurjchem-286	160	3	calculations	calculation	NOUN
eurjchem-286	160	4	determine	determine	VERB
eurjchem-286	160	5	that	that	SCONJ
eurjchem-286	160	6	the	the	DET
eurjchem-286	160	7	amide‐iv	amide‐iv	PROPN
eurjchem-286	160	8	and	and	CCONJ
eurjchem-286	160	9	amide‐vi	amide‐vi	VERB
eurjchem-286	160	10	bands	band	NOUN
eurjchem-286	160	11	possessing	possess	VERB
eurjchem-286	160	12	the	the	DET
eurjchem-286	160	13	character	character	NOUN
eurjchem-286	160	14	of	of	ADP
eurjchem-286	160	15	n‐h	n‐h	DET
eurjchem-286	160	16	vibrations	vibration	NOUN
eurjchem-286	160	17	by	by	ADP
eurjchem-286	160	18	mixing	mix	VERB
eurjchem-286	160	19	.	.	PUNCT
eurjchem-286	161	1	the	the	DET
eurjchem-286	161	2	amide‐v	amide‐v	PROPN
eurjchem-286	161	3	bands	band	NOUN
eurjchem-286	161	4	of	of	ADP
eurjchem-286	161	5	3mpa	3mpa	PROPN
eurjchem-286	161	6	is	be	AUX
eurjchem-286	161	7	significantly	significantly	ADV
eurjchem-286	161	8	overlapped	overlap	VERB
eurjchem-286	162	1	c	c	NOUN
eurjchem-286	162	2	=	=	X
eurjchem-286	162	3	o	o	X
eurjchem-286	162	4	out	out	ADP
eurjchem-286	162	5	of	of	ADP
eurjchem-286	162	6	plane	plane	NOUN
eurjchem-286	162	7	bending	bend	VERB
eurjchem-286	162	8	vibrations	vibration	NOUN
eurjchem-286	162	9	.	.	PUNCT
eurjchem-286	163	1	3.3.4	3.3.4	NUM
eurjchem-286	163	2	.	.	PUNCT
eurjchem-286	163	3	methyl	methyl	NOUN
eurjchem-286	163	4	group	group	NOUN
eurjchem-286	163	5	(	(	PUNCT
eurjchem-286	163	6	−ch3	−ch3	NOUN
eurjchem-286	163	7	)	)	PUNCT
eurjchem-286	163	8	vibrations	vibration	VERB
eurjchem-286	163	9	the	the	DET
eurjchem-286	163	10	symmetric	symmetric	ADJ
eurjchem-286	163	11	,	,	PUNCT
eurjchem-286	163	12	νs(ch3	νs(ch3	NUM
eurjchem-286	163	13	)	)	PUNCT
eurjchem-286	163	14	frequency	frequency	NOUN
eurjchem-286	163	15	of	of	ADP
eurjchem-286	163	16	3mpa	3mpa	PROPN
eurjchem-286	163	17	is	be	AUX
eurjchem-286	163	18	established	establish	VERB
eurjchem-286	163	19	at	at	ADP
eurjchem-286	163	20	2922	2922	NUM
eurjchem-286	163	21	and	and	CCONJ
eurjchem-286	163	22	2923	2923	NUM
eurjchem-286	163	23	cm‐1	cm‐1	NOUN
eurjchem-286	163	24	.	.	PUNCT
eurjchem-286	164	1	the	the	DET
eurjchem-286	164	2	asymmetric	asymmetric	ADJ
eurjchem-286	164	3	stretching	stretching	NOUN
eurjchem-286	164	4	of	of	ADP
eurjchem-286	164	5	3mpa	3mpa	PROPN
eurjchem-286	164	6	,	,	PUNCT
eurjchem-286	164	7	νa(ch3	νa(ch3	NUM
eurjchem-286	164	8	)	)	PUNCT
eurjchem-286	164	9	is	be	AUX
eurjchem-286	164	10	assigned	assign	VERB
eurjchem-286	164	11	at	at	ADP
eurjchem-286	164	12	2998	2998	NUM
eurjchem-286	164	13	cm−1	cm−1	NOUN
eurjchem-286	164	14	under	under	ADP
eurjchem-286	164	15	a	a	DET
eurjchem-286	164	16	'	'	PUNCT
eurjchem-286	164	17	species	specie	NOUN
eurjchem-286	164	18	.	.	PUNCT
eurjchem-286	165	1	the	the	DET
eurjchem-286	165	2	depolarized	depolarize	VERB
eurjchem-286	165	3	frequencies	frequency	NOUN
eurjchem-286	165	4	seen	see	VERB
eurjchem-286	165	5	at	at	ADP
eurjchem-286	165	6	2955and	2955and	NOUN
eurjchem-286	165	7	2956	2956	NUM
eurjchem-286	165	8	cm‐1	cm‐1	NOUN
eurjchem-286	165	9	in	in	ADP
eurjchem-286	165	10	the	the	DET
eurjchem-286	165	11	spectra	spectra	NOUN
eurjchem-286	165	12	of	of	ADP
eurjchem-286	165	13	3mpa	3mpa	PROPN
eurjchem-286	165	14	are	be	AUX
eurjchem-286	165	15	attributed	attribute	VERB
eurjchem-286	165	16	to	to	ADP
eurjchem-286	165	17	the	the	DET
eurjchem-286	165	18	νa(ch3	νa(ch3	NUM
eurjchem-286	165	19	)	)	PUNCT
eurjchem-286	165	20	under	under	ADP
eurjchem-286	165	21	a	a	DET
eurjchem-286	165	22	"	"	PUNCT
eurjchem-286	165	23	species	specie	NOUN
eurjchem-286	165	24	.	.	PUNCT
eurjchem-286	166	1	the	the	DET
eurjchem-286	166	2	asymmetrical	asymmetrical	ADJ
eurjchem-286	166	3	methyl	methyl	NOUN
eurjchem-286	166	4	deformation	deformation	NOUN
eurjchem-286	166	5	mode	mode	NOUN
eurjchem-286	166	6	,	,	PUNCT
eurjchem-286	166	7	δa(ch3	δa(ch3	NOUN
eurjchem-286	166	8	)	)	PUNCT
eurjchem-286	166	9	of	of	ADP
eurjchem-286	166	10	3mpa	3mpa	PROPN
eurjchem-286	166	11	are	be	AUX
eurjchem-286	166	12	observed	observe	VERB
eurjchem-286	166	13	at	at	ADP
eurjchem-286	166	14	1482	1482	NUM
eurjchem-286	166	15	cm−1	cm−1	NOUN
eurjchem-286	166	16	under	under	ADP
eurjchem-286	166	17	a	a	DET
eurjchem-286	166	18	"	"	PUNCT
eurjchem-286	166	19	species	specie	NOUN
eurjchem-286	166	20	while	while	SCONJ
eurjchem-286	166	21	the	the	DET
eurjchem-286	166	22	band	band	NOUN
eurjchem-286	166	23	at	at	ADP
eurjchem-286	166	24	1447	1447	NUM
eurjchem-286	166	25	cm−1	cm−1	NOUN
eurjchem-286	166	26	in	in	ADP
eurjchem-286	166	27	the	the	DET
eurjchem-286	166	28	infrared	infrared	ADJ
eurjchem-286	166	29	spectrum	spectrum	NOUN
eurjchem-286	166	30	is	be	AUX
eurjchem-286	166	31	attributed	attribute	VERB
eurjchem-286	166	32	to	to	ADP
eurjchem-286	166	33	the	the	DET
eurjchem-286	166	34	methyl	methyl	PROPN
eurjchem-286	166	35	asymmetric	asymmetric	PROPN
eurjchem-286	166	36	deformational	deformational	PROPN
eurjchem-286	166	37	modes	mode	NOUN
eurjchem-286	166	38	δa(ch3	δa(ch3	NUM
eurjchem-286	166	39	)	)	PUNCT
eurjchem-286	166	40	in	in	ADP
eurjchem-286	166	41	the	the	DET
eurjchem-286	166	42	a	a	DET
eurjchem-286	166	43	'	'	PUNCT
eurjchem-286	166	44	species	specie	NOUN
eurjchem-286	166	45	.	.	PUNCT
eurjchem-286	167	1	arjunan	arjunan	PROPN
eurjchem-286	167	2	et	et	PROPN
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eurjchem-286	167	10	2	2	NUM
eurjchem-286	167	11	(	(	PUNCT
eurjchem-286	167	12	1	1	NUM
eurjchem-286	167	13	)	)	PUNCT
eurjchem-286	167	14	(	(	PUNCT
eurjchem-286	167	15	2011	2011	NUM
eurjchem-286	167	16	)	)	PUNCT
eurjchem-286	167	17	70‐76	70‐76	NOUN
eurjchem-286	167	18	75	75	NUM
eurjchem-286	167	19	table	table	NOUN
eurjchem-286	167	20	4	4	NUM
eurjchem-286	167	21	.	.	PUNCT
eurjchem-286	168	1	the	the	DET
eurjchem-286	168	2	observed	observed	ADJ
eurjchem-286	168	3	ft‐ir	ft‐ir	NOUN
eurjchem-286	168	4	,	,	PUNCT
eurjchem-286	168	5	ft‐raman	ft‐raman	NOUN
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eurjchem-286	168	7	calculated	calculated	ADJ
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eurjchem-286	168	9	using	use	VERB
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eurjchem-286	168	11	,	,	PUNCT
eurjchem-286	168	12	p	p	NOUN
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eurjchem-286	168	14	and	and	CCONJ
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eurjchem-286	168	16	,	,	PUNCT
eurjchem-286	168	17	p	p	NOUN
eurjchem-286	168	18	)	)	PUNCT
eurjchem-286	168	19	force	force	NOUN
eurjchem-286	168	20	field	field	NOUN
eurjchem-286	168	21	along	along	ADP
eurjchem-286	168	22	with	with	ADP
eurjchem-286	168	23	their	their	PRON
eurjchem-286	168	24	relative	relative	ADJ
eurjchem-286	168	25	intensities	intensity	NOUN
eurjchem-286	168	26	,	,	PUNCT
eurjchem-286	168	27	probable	probable	ADJ
eurjchem-286	168	28	assignments	assignment	NOUN
eurjchem-286	168	29	and	and	CCONJ
eurjchem-286	168	30	potential	potential	ADJ
eurjchem-286	168	31	energy	energy	NOUN
eurjchem-286	168	32	distribution	distribution	NOUN
eurjchem-286	168	33	(	(	PUNCT
eurjchem-286	168	34	ped	ped	NOUN
eurjchem-286	168	35	)	)	PUNCT
eurjchem-286	168	36	of	of	ADP
eurjchem-286	168	37	n‐(3‐methylphenyl)‐2,2‐choroacetamidea	n‐(3‐methylphenyl)‐2,2‐choroacetamidea	NOUN
eurjchem-286	168	38	.	.	PUNCT
eurjchem-286	169	1	sp	sp	ADP
eurjchem-286	169	2	ec	ec	PROPN
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eurjchem-286	169	4	s	s	PART
eurjchem-286	169	5	observed	observed	ADJ
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eurjchem-286	169	7	(	(	PUNCT
eurjchem-286	169	8	cm‐1	cm‐1	NOUN
eurjchem-286	169	9	)	)	PUNCT
eurjchem-286	169	10	hf/6–31g(d	hf/6–31g(d	NOUN
eurjchem-286	169	11	,	,	PUNCT
eurjchem-286	169	12	p	p	NOUN
eurjchem-286	169	13	)	)	PUNCT
eurjchem-286	169	14	calculated	calculate	VERB
eurjchem-286	169	15	wavenumber	wavenumber	NOUN
eurjchem-286	169	16	b3lyp/6–31g(d	b3lyp/6–31g(d	PROPN
eurjchem-286	169	17	,	,	PUNCT
eurjchem-286	169	18	p	p	NOUN
eurjchem-286	169	19	)	)	PUNCT
eurjchem-286	169	20	calculated	calculate	VERB
eurjchem-286	169	21	wavenumber	wavenumber	NOUN
eurjchem-286	169	22	dpr	dpr	PROPN
eurjchem-286	169	23	assign	assign	VERB
eurjchem-286	169	24	.	.	PUNCT
eurjchem-286	170	1	%	%	INTJ
eurjchem-286	170	2	ped	ped	ADJ
eurjchem-286	170	3	ft‐ir	ft‐ir	NOUN
eurjchem-286	170	4	ft‐r	ft‐r	ADV
eurjchem-286	170	5	unscaled	unscaled	ADJ
eurjchem-286	170	6	(	(	PUNCT
eurjchem-286	170	7	cm‐1	cm‐1	NOUN
eurjchem-286	170	8	)	)	PUNCT
eurjchem-286	170	9	scaled	scale	VERB
eurjchem-286	170	10	(	(	PUNCT
eurjchem-286	170	11	cm‐1	cm‐1	NOUN
eurjchem-286	170	12	)	)	PUNCT
eurjchem-286	170	13	ir	ir	PROPN
eurjchem-286	170	14	intensity	intensity	NOUN
eurjchem-286	170	15	raman	raman	NOUN
eurjchem-286	170	16	activity	activity	NOUN
eurjchem-286	170	17	unscaled	unscale	VERB
eurjchem-286	170	18	(	(	PUNCT
eurjchem-286	170	19	cm‐1	cm‐1	NOUN
eurjchem-286	170	20	)	)	PUNCT
eurjchem-286	170	21	scaled	scale	VERB
eurjchem-286	170	22	(	(	PUNCT
eurjchem-286	170	23	cm‐1	cm‐1	NOUN
eurjchem-286	170	24	)	)	PUNCT
eurjchem-286	170	25	ir	ir	PROPN
eurjchem-286	170	26	intensity	intensity	PROPN
eurjchem-286	170	27	a	a	PROPN
eurjchem-286	170	28	3245	3245	NUM
eurjchem-286	170	29	vs	vs	ADP
eurjchem-286	170	30	3247	3247	NUM
eurjchem-286	170	31	w	w	ADP
eurjchem-286	170	32	3880	3880	NUM
eurjchem-286	170	33	3259	3259	NUM
eurjchem-286	170	34	45.55	45.55	NUM
eurjchem-286	170	35	42.16	42.16	NUM
eurjchem-286	170	36	3610	3610	NUM
eurjchem-286	170	37	3285	3285	NUM
eurjchem-286	170	38	27.71	27.71	NUM
eurjchem-286	170	39	0.14	0.14	NUM
eurjchem-286	171	1	νnh	νnh	ADJ
eurjchem-286	172	1	94nh	94nh	PROPN
eurjchem-286	172	2	a	a	PROPN
eurjchem-286	172	3	3104	3104	NUM
eurjchem-286	172	4	m	m	PROPN
eurjchem-286	172	5	3446	3446	NUM
eurjchem-286	172	6	3136	3136	NUM
eurjchem-286	172	7	2.23	2.23	NUM
eurjchem-286	172	8	49.81	49.81	NUM
eurjchem-286	172	9	3266	3266	NUM
eurjchem-286	172	10	3135	3135	NUM
eurjchem-286	172	11	3.75	3.75	NUM
eurjchem-286	172	12	0.21	0.21	NUM
eurjchem-286	172	13	νch	νch	PROPN
eurjchem-286	172	14	95ch	95ch	PROPN
eurjchem-286	172	15	a	a	PROPN
eurjchem-286	172	16	3073	3073	NUM
eurjchem-286	172	17	s	s	PART
eurjchem-286	172	18	3381	3381	NUM
eurjchem-286	172	19	3077	3077	NUM
eurjchem-286	172	20	2.37	2.37	NUM
eurjchem-286	172	21	69.75	69.75	NUM
eurjchem-286	172	22	3200	3200	NUM
eurjchem-286	172	23	3072	3072	NUM
eurjchem-286	172	24	20.90	20.90	NUM
eurjchem-286	172	25	0.28	0.28	NUM
eurjchem-286	172	26	νch	νch	PROPN
eurjchem-286	172	27	92ch	92ch	PROPN
eurjchem-286	172	28	a	a	PROPN
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eurjchem-286	172	30	s	s	PART
eurjchem-286	172	31	3364	3364	NUM
eurjchem-286	172	32	3061	3061	NUM
eurjchem-286	172	33	26.72	26.72	NUM
eurjchem-286	172	34	165.61	165.61	NUM
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eurjchem-286	172	36	3070	3070	NUM
eurjchem-286	172	37	1.08	1.08	NUM
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eurjchem-286	172	42	a	a	PROPN
eurjchem-286	172	43	3043	3043	NUM
eurjchem-286	172	44	m	m	PROPN
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eurjchem-286	172	46	3043	3043	NUM
eurjchem-286	172	47	9.11	9.11	NUM
eurjchem-286	172	48	64.85	64.85	NUM
eurjchem-286	172	49	3183	3183	NUM
eurjchem-286	172	50	3056	3056	NUM
eurjchem-286	172	51	7.44	7.44	NUM
eurjchem-286	172	52	0.75	0.75	NUM
eurjchem-286	172	53	νch	νch	PROPN
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eurjchem-286	172	55	a	a	PROPN
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eurjchem-286	172	57	vw	vw	PROPN
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eurjchem-286	172	59	3021	3021	NUM
eurjchem-286	172	60	18.87	18.87	NUM
eurjchem-286	172	61	55.22	55.22	NUM
eurjchem-286	172	62	3156	3156	NUM
eurjchem-286	172	63	3030	3030	NUM
eurjchem-286	172	64	14.57	14.57	NUM
eurjchem-286	172	65	0.28	0.28	NUM
eurjchem-286	172	66	νch	νch	PROPN
eurjchem-286	172	67	92ch	92ch	PROPN
eurjchem-286	172	68	a	a	PROPN
eurjchem-286	172	69	2998	2998	NUM
eurjchem-286	172	70	m	m	PROPN
eurjchem-286	172	71	2999	2999	NUM
eurjchem-286	172	72	s	s	NOUN
eurjchem-286	172	73	3271	3271	NUM
eurjchem-286	172	74	2977	2977	NUM
eurjchem-286	172	75	22.67	22.67	NUM
eurjchem-286	172	76	63.84	63.84	NUM
eurjchem-286	172	77	3130	3130	NUM
eurjchem-286	172	78	3005	3005	NUM
eurjchem-286	172	79	14.89	14.89	NUM
eurjchem-286	172	80	0.73	0.73	NUM
eurjchem-286	172	81	νach3	νach3	ADJ
eurjchem-286	172	82	93ch	93ch	NUM
eurjchem-286	172	83	a	a	PROPN
eurjchem-286	172	84	2955	2955	NUM
eurjchem-286	172	85	vw	vw	PROPN
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eurjchem-286	172	87	vw	vw	PROPN
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eurjchem-286	172	89	2950	2950	NUM
eurjchem-286	172	90	28.44	28.44	NUM
eurjchem-286	172	91	84.53	84.53	NUM
eurjchem-286	172	92	3098	3098	NUM
eurjchem-286	172	93	2974	2974	NUM
eurjchem-286	172	94	18.11	18.11	NUM
eurjchem-286	172	95	0.75	0.75	NUM
eurjchem-286	172	96	νach3	νach3	ADJ
eurjchem-286	172	97	94ch	94ch	NUM
eurjchem-286	172	98	a	a	PROPN
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eurjchem-286	172	100	vw	vw	PROPN
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eurjchem-286	172	102	s	s	NOUN
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eurjchem-286	172	104	2899	2899	NUM
eurjchem-286	172	105	35.27	35.27	NUM
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eurjchem-286	172	108	2920	2920	NUM
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eurjchem-286	172	110	0.03	0.03	NUM
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eurjchem-286	172	121	24.09	24.09	NUM
eurjchem-286	172	122	1796	1796	NUM
eurjchem-286	172	123	1688	1688	NUM
eurjchem-286	172	124	280.47	280.47	NUM
eurjchem-286	172	125	0.16	0.16	NUM
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eurjchem-286	172	130	=	=	SYM
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eurjchem-286	172	132	a	a	PROPN
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eurjchem-286	172	134	1655	1655	NUM
eurjchem-286	172	135	189.05	189.05	NUM
eurjchem-286	172	136	29.89	29.89	NUM
eurjchem-286	172	137	1668	1668	NUM
eurjchem-286	172	138	1651	1651	NUM
eurjchem-286	172	139	103.31	103.31	NUM
eurjchem-286	172	140	0.59	0.59	NUM
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eurjchem-286	172	145	=	=	SYM
eurjchem-286	172	146	c	c	PROPN
eurjchem-286	172	147	a	a	PROPN
eurjchem-286	172	148	1594	1594	NUM
eurjchem-286	172	149	s	s	PROPN
eurjchem-286	172	150	1595	1595	NUM
eurjchem-286	172	151	vs	vs	ADP
eurjchem-286	172	152	1794	1794	NUM
eurjchem-286	172	153	1633	1633	NUM
eurjchem-286	172	154	8.30	8.30	NUM
eurjchem-286	172	155	42.05	42.05	NUM
eurjchem-286	172	156	1647	1647	NUM
eurjchem-286	172	157	1631	1631	NUM
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eurjchem-286	172	159	0.54	0.54	NUM
eurjchem-286	172	160	νc	νc	NOUN
eurjchem-286	172	161	=	=	NOUN
eurjchem-286	172	162	c	c	NOUN
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eurjchem-286	172	164	=	=	SYM
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eurjchem-286	172	168	vs	vs	ADP
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eurjchem-286	172	175	1594	1594	NUM
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eurjchem-286	172	177	259.58	259.58	NUM
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eurjchem-286	172	179	βn‐h	βn‐h	CCONJ
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eurjchem-286	172	181	a	a	PROPN
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eurjchem-286	172	187	1522	1522	NUM
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eurjchem-286	172	189	0.24	0.24	NUM
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eurjchem-286	172	194	=	=	SYM
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eurjchem-286	172	209	a	a	PROPN
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eurjchem-286	172	211	m	m	PROPN
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eurjchem-286	172	213	vw	vw	PROPN
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eurjchem-286	172	215	1470	1470	NUM
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eurjchem-286	172	224	a	a	PROPN
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eurjchem-286	172	226	w	w	PROPN
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eurjchem-286	172	235	νc‐c	νc‐c	X
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eurjchem-286	172	237	a	a	PROPN
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eurjchem-286	172	239	vw	vw	PROPN
eurjchem-286	172	240	1551	1551	NUM
eurjchem-286	172	241	1411	1411	NUM
eurjchem-286	172	242	3.74	3.74	NUM
eurjchem-286	172	243	12.30	12.30	NUM
eurjchem-286	172	244	1429	1429	NUM
eurjchem-286	172	245	1415	1415	NUM
eurjchem-286	172	246	1.10	1.10	NUM
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eurjchem-286	172	248	νc‐c	νc‐c	NOUN
eurjchem-286	172	249	88cc	88cc	NUM
eurjchem-286	172	250	a	a	PROPN
eurjchem-286	172	251	1357	1357	NUM
eurjchem-286	172	252	s	s	PART
eurjchem-286	172	253	1465	1465	NUM
eurjchem-286	172	254	1333	1333	NUM
eurjchem-286	172	255	42.42	42.42	NUM
eurjchem-286	172	256	1.77	1.77	NUM
eurjchem-286	172	257	1364	1364	NUM
eurjchem-286	172	258	1350	1350	NUM
eurjchem-286	172	259	20.98	20.98	NUM
eurjchem-286	172	260	0.23	0.23	NUM
eurjchem-286	172	261	νc‐c	νc‐c	X
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eurjchem-286	172	263	a	a	PROPN
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eurjchem-286	172	265	m	m	PROPN
eurjchem-286	172	266	1335	1335	NUM
eurjchem-286	172	267	m	m	PROPN
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eurjchem-286	172	269	1293	1293	NUM
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eurjchem-286	172	271	20.61	20.61	NUM
eurjchem-286	172	272	1344	1344	NUM
eurjchem-286	172	273	1331	1331	NUM
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eurjchem-286	172	276	νc‐n	νc‐n	PROPN
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eurjchem-286	172	278	a	a	PROPN
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eurjchem-286	172	281	1283	1283	NUM
eurjchem-286	172	282	vw	vw	PROPN
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eurjchem-286	172	284	1266	1266	NUM
eurjchem-286	172	285	14.08	14.08	NUM
eurjchem-286	172	286	7.04	7.04	NUM
eurjchem-286	172	287	1296	1296	NUM
eurjchem-286	172	288	1283	1283	NUM
eurjchem-286	172	289	17.35	17.35	NUM
eurjchem-286	172	290	0.24	0.24	NUM
eurjchem-286	172	291	δsch3	δsch3	ADJ
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eurjchem-286	172	293	a	a	PROPN
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eurjchem-286	172	295	w	w	PROPN
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eurjchem-286	172	297	s	s	NOUN
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eurjchem-286	172	299	1259	1259	NUM
eurjchem-286	172	300	34.48	34.48	NUM
eurjchem-286	172	301	8.94	8.94	NUM
eurjchem-286	172	302	1272	1272	NUM
eurjchem-286	172	303	1259	1259	NUM
eurjchem-286	172	304	28.74	28.74	NUM
eurjchem-286	172	305	0.75	0.75	NUM
eurjchem-286	172	306	βc‐h(cl2	βc‐h(cl2	PROPN
eurjchem-286	172	307	)	)	PUNCT
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eurjchem-286	173	1	+	+	CCONJ
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eurjchem-286	173	3	a	a	PROPN
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eurjchem-286	173	5	1244	1244	NUM
eurjchem-286	173	6	14.90	14.90	NUM
eurjchem-286	173	7	13.43	13.43	NUM
eurjchem-286	173	8	1254	1254	NUM
eurjchem-286	173	9	1241	1241	NUM
eurjchem-286	173	10	27.46	27.46	NUM
eurjchem-286	173	11	0.32	0.32	NUM
eurjchem-286	173	12	νn‐c6h5	νn‐c6h5	PROPN
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eurjchem-286	173	14	a	a	PROPN
eurjchem-286	173	15	1217	1217	NUM
eurjchem-286	173	16	vw	vw	PROPN
eurjchem-286	173	17	1325	1325	NUM
eurjchem-286	173	18	1206	1206	NUM
eurjchem-286	173	19	2.41	2.41	NUM
eurjchem-286	173	20	0.13	0.13	NUM
eurjchem-286	173	21	1232	1232	NUM
eurjchem-286	173	22	1220	1220	NUM
eurjchem-286	173	23	24.74	24.74	NUM
eurjchem-286	173	24	0.70	0.70	NUM
eurjchem-286	173	25	νc‐c	νc‐c	NOUN
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eurjchem-286	173	27	a	a	PROPN
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eurjchem-286	173	29	s	s	NOUN
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eurjchem-286	173	31	m	m	PROPN
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eurjchem-286	173	36	1202	1202	NUM
eurjchem-286	173	37	1190	1190	NUM
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eurjchem-286	173	39	0.42	0.42	NUM
eurjchem-286	173	40	γc‐h(cl2	γc‐h(cl2	PROPN
eurjchem-286	173	41	)	)	PUNCT
eurjchem-286	173	42	77γch	77γch	NOUN
eurjchem-286	173	43	+	+	CCONJ
eurjchem-286	173	44	16γcc	16γcc	PROPN
eurjchem-286	173	45	a	a	PROPN
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eurjchem-286	173	47	vw	vw	PROPN
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eurjchem-286	173	52	1194	1194	NUM
eurjchem-286	173	53	1182	1182	NUM
eurjchem-286	173	54	1.94	1.94	NUM
eurjchem-286	173	55	0.74	0.74	NUM
eurjchem-286	173	56	βc‐h	βc‐h	SYM
eurjchem-286	173	57	75ch	75ch	NUM
eurjchem-286	173	58	+	+	CCONJ
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eurjchem-286	173	60	a	a	PROPN
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eurjchem-286	173	62	vw	vw	PROPN
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eurjchem-286	173	66	2.71	2.71	NUM
eurjchem-286	173	67	1126	1126	NUM
eurjchem-286	173	68	1115	1115	NUM
eurjchem-286	173	69	7.83	7.83	NUM
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eurjchem-286	173	71	βc‐h	βc‐h	PUNCT
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eurjchem-286	173	73	+	+	CCONJ
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eurjchem-286	173	75	a	a	PROPN
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eurjchem-286	173	77	w	w	NOUN
eurjchem-286	173	78	1092	1092	NUM
eurjchem-286	173	79	w	w	ADP
eurjchem-286	173	80	1165	1165	NUM
eurjchem-286	173	81	1060	1060	NUM
eurjchem-286	173	82	3.77	3.77	NUM
eurjchem-286	173	83	0.51	0.51	NUM
eurjchem-286	173	84	1066	1066	NUM
eurjchem-286	173	85	1055	1055	NUM
eurjchem-286	173	86	4.26	4.26	NUM
eurjchem-286	173	87	0.75	0.75	NUM
eurjchem-286	173	88	ωch3	ωch3	ADJ
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eurjchem-286	173	90	+21γch	+21γch	NUM
eurjchem-286	173	91	a	a	PROPN
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eurjchem-286	173	93	w	w	ADP
eurjchem-286	173	94	1120	1120	NUM
eurjchem-286	173	95	1019	1019	NUM
eurjchem-286	173	96	1.63	1.63	NUM
eurjchem-286	173	97	0.42	0.42	NUM
eurjchem-286	173	98	1043	1043	NUM
eurjchem-286	173	99	1033	1033	NUM
eurjchem-286	173	100	0.10	0.10	NUM
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eurjchem-286	173	102	βc‐h	βc‐h	X
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eurjchem-286	173	104	+	+	SYM
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eurjchem-286	173	106	a	a	PROPN
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eurjchem-286	173	110	vs	vs	ADP
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eurjchem-286	173	115	1016	1016	NUM
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eurjchem-286	173	119	ρch3	ρch3	PROPN
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eurjchem-286	173	121	+	+	SYM
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eurjchem-286	173	123	a	a	PROPN
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eurjchem-286	175	1	a	a	ADP
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eurjchem-286	175	5	vw	vw	PROPN
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eurjchem-286	175	10	920	920	NUM
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eurjchem-286	177	1	+	+	CCONJ
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eurjchem-286	177	3	a	a	PRON
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eurjchem-286	178	2	+	+	CCONJ
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eurjchem-286	179	4	=	=	SYM
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eurjchem-286	179	10	vs	vs	ADP
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eurjchem-286	180	1	+	+	CCONJ
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eurjchem-286	180	3	a	a	SYM
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eurjchem-286	182	1	+	+	CCONJ
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eurjchem-286	182	3	a	a	PROPN
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eurjchem-286	182	22	+	+	CCONJ
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eurjchem-286	182	24	a	a	PROPN
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eurjchem-286	182	37	βc‐c	βc‐c	PUNCT
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eurjchem-286	183	2	+	+	CCONJ
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eurjchem-286	185	1	+	+	CCONJ
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eurjchem-286	185	3	a	a	PROPN
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eurjchem-286	185	18	+	+	SYM
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eurjchem-286	185	20	a	a	PROPN
eurjchem-286	185	21	533	533	NUM
eurjchem-286	185	22	485	485	NUM
eurjchem-286	185	23	32.81	32.81	NUM
eurjchem-286	185	24	1.47	1.47	NUM
eurjchem-286	185	25	492	492	NUM
eurjchem-286	185	26	487	487	NUM
eurjchem-286	185	27	33.88	33.88	NUM
eurjchem-286	185	28	0.61	0.61	NUM
eurjchem-286	185	29	βn‐c6h5	βn‐c6h5	X
eurjchem-286	185	30	67nc	67nc	NUM
eurjchem-286	185	31	+	+	CCONJ
eurjchem-286	185	32	14ccc	14ccc	NUM
eurjchem-286	185	33	a	a	NUM
eurjchem-286	185	34	462	462	NUM
eurjchem-286	185	35	vw	vw	NOUN
eurjchem-286	185	36	492	492	NUM
eurjchem-286	185	37	448	448	NUM
eurjchem-286	185	38	2.90	2.90	NUM
eurjchem-286	185	39	0.47	0.47	NUM
eurjchem-286	185	40	450	450	NUM
eurjchem-286	185	41	446	446	NUM
eurjchem-286	185	42	3.33	3.33	NUM
eurjchem-286	185	43	0.75	0.75	NUM
eurjchem-286	185	44	γc‐n	γc‐n	NUM
eurjchem-286	185	45	76γcn	76γcn	NOUN
eurjchem-286	185	46	+	+	CCONJ
eurjchem-286	185	47	16γc	16γc	ADJ
eurjchem-286	185	48	=	=	ADJ
eurjchem-286	185	49	o	o	X
eurjchem-286	185	50	a	a	PROPN
eurjchem-286	185	51	430	430	NUM
eurjchem-286	185	52	vw	vw	PROPN
eurjchem-286	185	53	433	433	NUM
eurjchem-286	185	54	w	w	NOUN
eurjchem-286	185	55	477	477	NUM
eurjchem-286	185	56	434	434	NUM
eurjchem-286	185	57	0.62	0.62	NUM
eurjchem-286	185	58	6.87	6.87	NUM
eurjchem-286	185	59	435	435	NUM
eurjchem-286	185	60	431	431	NUM
eurjchem-286	185	61	0.50	0.50	NUM
eurjchem-286	185	62	0.06	0.06	NUM
eurjchem-286	185	63	γn‐c6h5	γn‐c6h5	PROPN
eurjchem-286	185	64	69γnc	69γnc	PROPN
eurjchem-286	185	65	+	+	CCONJ
eurjchem-286	185	66	18γccc	18γccc	NUM
eurjchem-286	185	67	a	a	PROPN
eurjchem-286	185	68	417	417	NUM
eurjchem-286	185	69	m	m	NUM
eurjchem-286	185	70	422	422	NUM
eurjchem-286	185	71	m	m	NUM
eurjchem-286	185	72	430	430	NUM
eurjchem-286	185	73	391	391	NUM
eurjchem-286	185	74	0.37	0.37	NUM
eurjchem-286	185	75	1.72	1.72	NUM
eurjchem-286	185	76	395	395	NUM
eurjchem-286	185	77	391	391	NUM
eurjchem-286	185	78	0.42	0.42	NUM
eurjchem-286	185	79	0.42	0.42	NUM
eurjchem-286	185	80	βc‐c(h3	βc‐c(h3	NOUN
eurjchem-286	185	81	)	)	PUNCT
eurjchem-286	185	82	65cc	65cc	PROPN
eurjchem-286	185	83	+	+	CCONJ
eurjchem-286	185	84	21ch	21ch	NUM
eurjchem-286	185	85	a	a	PROPN
eurjchem-286	185	86	330	330	NUM
eurjchem-286	185	87	s	s	NOUN
eurjchem-286	185	88	299	299	NUM
eurjchem-286	185	89	272	272	NUM
eurjchem-286	185	90	0.03	0.03	NUM
eurjchem-286	185	91	2.95	2.95	NUM
eurjchem-286	185	92	277	277	NUM
eurjchem-286	185	93	274	274	NUM
eurjchem-286	185	94	0.36	0.36	NUM
eurjchem-286	185	95	0.75	0.75	NUM
eurjchem-286	185	96	δccl2	δccl2	NOUN
eurjchem-286	185	97	77ccl2	77ccl2	NUM
eurjchem-286	185	98	+	+	CCONJ
eurjchem-286	185	99	18ch	18ch	NUM
eurjchem-286	185	100	a	a	PROPN
eurjchem-286	186	1	293	293	NUM
eurjchem-286	186	2	w	w	NOUN
eurjchem-286	186	3	299	299	NUM
eurjchem-286	186	4	272	272	NUM
eurjchem-286	186	5	4.01	4.01	NUM
eurjchem-286	186	6	3.76	3.76	NUM
eurjchem-286	186	7	275	275	NUM
eurjchem-286	186	8	272	272	NUM
eurjchem-286	186	9	3.53	3.53	NUM
eurjchem-286	186	10	0.38	0.38	NUM
eurjchem-286	186	11	γccc	γccc	NOUN
eurjchem-286	186	12	65γccc	65γccc	NOUN
eurjchem-286	187	1	+	+	CCONJ
eurjchem-286	187	2	24γch	24γch	NOUN
eurjchem-286	187	3	a	a	PROPN
eurjchem-286	187	4	248	248	NUM
eurjchem-286	187	5	m	m	NOUN
eurjchem-286	187	6	290	290	NUM
eurjchem-286	187	7	264	264	NUM
eurjchem-286	187	8	1.33	1.33	NUM
eurjchem-286	187	9	2.51	2.51	NUM
eurjchem-286	187	10	267	267	NUM
eurjchem-286	187	11	264	264	NUM
eurjchem-286	187	12	0.64	0.64	NUM
eurjchem-286	187	13	0.60	0.60	NUM
eurjchem-286	187	14	γc‐c(h3	γc‐c(h3	NOUN
eurjchem-286	187	15	)	)	PUNCT
eurjchem-286	187	16	62γcc	62γcc	NOUN
eurjchem-286	188	1	+	+	CCONJ
eurjchem-286	188	2	18γch	18γch	NOUN
eurjchem-286	188	3	a	a	PROPN
eurjchem-286	188	4	231	231	NUM
eurjchem-286	188	5	vw	vw	NOUN
eurjchem-286	188	6	232	232	NUM
eurjchem-286	188	7	211	211	NUM
eurjchem-286	188	8	0.85	0.85	NUM
eurjchem-286	188	9	2.21	2.21	NUM
eurjchem-286	188	10	216	216	NUM
eurjchem-286	188	11	214	214	NUM
eurjchem-286	188	12	1.13	1.13	NUM
eurjchem-286	188	13	0.75	0.75	NUM
eurjchem-286	188	14	τccl2	τccl2	NOUN
eurjchem-286	188	15	67τccl2	67τccl2	NUM
eurjchem-286	188	16	+	+	CCONJ
eurjchem-286	188	17	22ωccl2	22ωccl2	NUM
eurjchem-286	188	18	a	a	PROPN
eurjchem-286	188	19	188	188	NUM
eurjchem-286	188	20	m	m	NOUN
eurjchem-286	188	21	193	193	NUM
eurjchem-286	188	22	176	176	NUM
eurjchem-286	188	23	6.14	6.14	NUM
eurjchem-286	188	24	1.27	1.27	NUM
eurjchem-286	188	25	177	177	NUM
eurjchem-286	188	26	175	175	NUM
eurjchem-286	188	27	6.93	6.93	NUM
eurjchem-286	188	28	0.40	0.40	NUM
eurjchem-286	188	29	ωccl2	ωccl2	NOUN
eurjchem-286	188	30	65ωccl2	65ωccl2	NUM
eurjchem-286	188	31	+	+	SYM
eurjchem-286	188	32	24τccl2	24τccl2	NUM
eurjchem-286	188	33	a	a	PROPN
eurjchem-286	188	34	101	101	NUM
eurjchem-286	188	35	vs	vs	ADP
eurjchem-286	188	36	188	188	NUM
eurjchem-286	188	37	171	171	NUM
eurjchem-286	188	38	5.81	5.81	NUM
eurjchem-286	188	39	0.08	0.08	NUM
eurjchem-286	188	40	172	172	NUM
eurjchem-286	188	41	170	170	NUM
eurjchem-286	188	42	3.33	3.33	NUM
eurjchem-286	188	43	0.75	0.75	NUM
eurjchem-286	188	44	ρccl2	ρccl2	NOUN
eurjchem-286	188	45	71ρccl2	71ρccl2	NUM
eurjchem-286	188	46	+	+	CCONJ
eurjchem-286	188	47	16ch	16ch	NUM
eurjchem-286	188	48	a	a	PROPN
eurjchem-286	188	49	103	103	NUM
eurjchem-286	188	50	94	94	NUM
eurjchem-286	188	51	0.08	0.08	NUM
eurjchem-286	188	52	0.52	0.52	NUM
eurjchem-286	188	53	95	95	NUM
eurjchem-286	188	54	95	95	NUM
eurjchem-286	188	55	0.16	0.16	NUM
eurjchem-286	188	56	0.74	0.74	NUM
eurjchem-286	188	57	γccc	γccc	NOUN
eurjchem-286	188	58	63γccc	63γccc	PUNCT
eurjchem-286	189	1	+	+	CCONJ
eurjchem-286	189	2	22γch	22γch	NOUN
eurjchem-286	189	3	a	a	PROPN
eurjchem-286	189	4	50	50	NUM
eurjchem-286	189	5	50	50	NUM
eurjchem-286	189	6	0.01	0.01	NUM
eurjchem-286	189	7	5.35	5.35	NUM
eurjchem-286	189	8	54	54	NUM
eurjchem-286	189	9	54	54	NUM
eurjchem-286	189	10	4.45	4.45	NUM
eurjchem-286	189	11	0.75	0.75	NUM
eurjchem-286	189	12	γccc	γccc	NOUN
eurjchem-286	189	13	65γccc	65γccc	NOUN
eurjchem-286	190	1	+	+	CCONJ
eurjchem-286	190	2	21γch	21γch	NOUN
eurjchem-286	190	3	a	a	SYM
eurjchem-286	190	4	42	42	NUM
eurjchem-286	190	5	42	42	NUM
eurjchem-286	190	6	8.25	8.25	NUM
eurjchem-286	190	7	0.58	0.58	NUM
eurjchem-286	190	8	45	45	NUM
eurjchem-286	190	9	45	45	NUM
eurjchem-286	190	10	0.29	0.29	NUM
eurjchem-286	190	11	0.75	0.75	NUM
eurjchem-286	190	12	γccc	γccc	NOUN
eurjchem-286	190	13	64γccc	64γccc	X
eurjchem-286	190	14	+	+	NUM
eurjchem-286	190	15	24γch	24γch	SYM
eurjchem-286	190	16	a	a	PROPN
eurjchem-286	190	17	38	38	NUM
eurjchem-286	190	18	38	38	NUM
eurjchem-286	190	19	0.22	0.22	NUM
eurjchem-286	190	20	5.14	5.14	NUM
eurjchem-286	190	21	42	42	NUM
eurjchem-286	190	22	42	42	NUM
eurjchem-286	190	23	1.55	1.55	NUM
eurjchem-286	190	24	0.75	0.75	NUM
eurjchem-286	190	25	γccc	γccc	NOUN
eurjchem-286	190	26	66γccc	66γccc	NUM
eurjchem-286	191	1	+	+	CCONJ
eurjchem-286	191	2	22γch	22γch	NOUN
eurjchem-286	191	3	a	a	PROPN
eurjchem-286	191	4	13	13	NUM
eurjchem-286	191	5	13	13	NUM
eurjchem-286	191	6	0.08	0.08	NUM
eurjchem-286	191	7	0.07	0.07	NUM
eurjchem-286	191	8	17	17	NUM
eurjchem-286	191	9	17	17	NUM
eurjchem-286	191	10	0.08	0.08	NUM
eurjchem-286	191	11	0.75	0.75	NUM
eurjchem-286	191	12	τch3	τch3	NOUN
eurjchem-286	191	13	90τch3	90τch3	PROPN
eurjchem-286	191	14	a	a	DET
eurjchem-286	191	15	ν‐stretching	ν‐stretching	PROPN
eurjchem-286	191	16	;	;	PUNCT
eurjchem-286	191	17	β‐in‐plane	β‐in‐plane	NOUN
eurjchem-286	191	18	bending	bending	NOUN
eurjchem-286	191	19	;	;	PUNCT
eurjchem-286	191	20	δ‐deformation	δ‐deformation	NUM
eurjchem-286	191	21	;	;	PUNCT
eurjchem-286	191	22	ρ‐rocking	ρ‐rocking	X
eurjchem-286	191	23	;	;	PUNCT
eurjchem-286	191	24	γ‐out	γ‐out	PRON
eurjchem-286	191	25	of	of	ADP
eurjchem-286	191	26	plane	plane	NOUN
eurjchem-286	191	27	bending	bending	NOUN
eurjchem-286	191	28	;	;	PUNCT
eurjchem-286	191	29	ω‐wagging	ω‐wagging	NUM
eurjchem-286	191	30	;	;	PUNCT
eurjchem-286	191	31	τ‐twisting	τ‐twiste	VERB
eurjchem-286	191	32	/	/	SYM
eurjchem-286	191	33	torsion	torsion	NOUN
eurjchem-286	191	34	;	;	PUNCT
eurjchem-286	191	35	ir	ir	PROPN
eurjchem-286	191	36	intensities	intensity	NOUN
eurjchem-286	191	37	,	,	PUNCT
eurjchem-286	191	38	km	km	NOUN
eurjchem-286	191	39	/	/	SYM
eurjchem-286	191	40	mole	mole	NOUN
eurjchem-286	191	41	;	;	PUNCT
eurjchem-286	191	42	raman	raman	NOUN
eurjchem-286	191	43	scattering	scatter	VERB
eurjchem-286	191	44	activities	activity	NOUN
eurjchem-286	191	45	,	,	PUNCT
eurjchem-286	191	46	(	(	PUNCT
eurjchem-286	191	47	ao)4/(a.m.u	ao)4/(a.m.u	PROPN
eurjchem-286	191	48	)	)	PUNCT
eurjchem-286	191	49	;	;	PUNCT
eurjchem-286	191	50	dpr	dpr	PROPN
eurjchem-286	191	51	:	:	PUNCT
eurjchem-286	191	52	depolarization	depolarization	NOUN
eurjchem-286	191	53	ratio	ratio	NOUN
eurjchem-286	191	54	.	.	PUNCT
eurjchem-286	192	1	3.3.5	3.3.5	X
eurjchem-286	192	2	.	.	PUNCT
eurjchem-286	192	3	ccl2	ccl2	PROPN
eurjchem-286	192	4	group	group	NOUN
eurjchem-286	192	5	vibrations	vibration	NOUN
eurjchem-286	192	6	when	when	SCONJ
eurjchem-286	192	7	several	several	ADJ
eurjchem-286	192	8	chlorine	chlorine	NOUN
eurjchem-286	192	9	atoms	atom	NOUN
eurjchem-286	192	10	are	be	AUX
eurjchem-286	192	11	attached	attach	VERB
eurjchem-286	192	12	to	to	ADP
eurjchem-286	192	13	one	one	NUM
eurjchem-286	192	14	carbon	carbon	NOUN
eurjchem-286	192	15	atom	atom	NOUN
eurjchem-286	192	16	,	,	PUNCT
eurjchem-286	192	17	the	the	DET
eurjchem-286	192	18	band	band	NOUN
eurjchem-286	192	19	is	be	AUX
eurjchem-286	192	20	usually	usually	ADV
eurjchem-286	192	21	more	more	ADV
eurjchem-286	192	22	intense	intense	ADJ
eurjchem-286	192	23	and	and	CCONJ
eurjchem-286	192	24	at	at	ADP
eurjchem-286	192	25	high	high	ADJ
eurjchem-286	192	26	frequency	frequency	NOUN
eurjchem-286	192	27	end	end	NOUN
eurjchem-286	192	28	of	of	ADP
eurjchem-286	192	29	the	the	DET
eurjchem-286	192	30	assigned	assign	VERB
eurjchem-286	192	31	limits	limit	NOUN
eurjchem-286	192	32	.	.	PUNCT
eurjchem-286	193	1	the	the	DET
eurjchem-286	193	2	c‐cl	c‐cl	PROPN
eurjchem-286	193	3	absorption	absorption	NOUN
eurjchem-286	193	4	is	be	AUX
eurjchem-286	193	5	observed	observe	VERB
eurjchem-286	193	6	in	in	ADP
eurjchem-286	193	7	the	the	DET
eurjchem-286	193	8	broad	broad	ADJ
eurjchem-286	193	9	region	region	NOUN
eurjchem-286	193	10	between	between	ADP
eurjchem-286	193	11	850	850	NUM
eurjchem-286	193	12	and	and	CCONJ
eurjchem-286	193	13	550	550	NUM
eurjchem-286	193	14	cm‐1	cm‐1	NOUN
eurjchem-286	193	15	.	.	PUNCT
eurjchem-286	194	1	thus	thus	ADV
eurjchem-286	194	2	,	,	PUNCT
eurjchem-286	194	3	the	the	DET
eurjchem-286	194	4	strong	strong	ADJ
eurjchem-286	194	5	and	and	CCONJ
eurjchem-286	194	6	medium	medium	ADJ
eurjchem-286	194	7	bands	band	NOUN
eurjchem-286	194	8	in	in	ADP
eurjchem-286	194	9	ir	ir	PROPN
eurjchem-286	194	10	at	at	ADP
eurjchem-286	194	11	780	780	NUM
eurjchem-286	194	12	and	and	CCONJ
eurjchem-286	194	13	777	777	NUM
eurjchem-286	194	14	cm‐1	cm‐1	NOUN
eurjchem-286	194	15	cm‐1	cm‐1	NOUN
eurjchem-286	194	16	are	be	AUX
eurjchem-286	194	17	assigned	assign	VERB
eurjchem-286	194	18	to	to	ADP
eurjchem-286	194	19	the	the	DET
eurjchem-286	194	20	asymmetric	asymmetric	ADJ
eurjchem-286	194	21	ccl2	ccl2	NOUN
eurjchem-286	194	22	stretching	stretch	VERB
eurjchem-286	194	23	wavenumber	wavenumber	NOUN
eurjchem-286	194	24	of	of	ADP
eurjchem-286	194	25	3mpa	3mpa	PROPN
eurjchem-286	194	26	.	.	PUNCT
eurjchem-286	195	1	the	the	DET
eurjchem-286	195	2	symmetric	symmetric	ADJ
eurjchem-286	195	3	ccl2	ccl2	NOUN
eurjchem-286	195	4	stretching	stretching	NOUN
eurjchem-286	195	5	is	be	AUX
eurjchem-286	195	6	observed	observe	VERB
eurjchem-286	195	7	at	at	ADP
eurjchem-286	195	8	687	687	NUM
eurjchem-286	195	9	cm‐1	cm‐1	NOUN
eurjchem-286	195	10	in	in	ADP
eurjchem-286	195	11	3mpa	3mpa	PROPN
eurjchem-286	195	12	.	.	PUNCT
eurjchem-286	196	1	the	the	DET
eurjchem-286	196	2	ccl2	ccl2	PROPN
eurjchem-286	196	3	asymmetric	asymmetric	PROPN
eurjchem-286	196	4	and	and	CCONJ
eurjchem-286	196	5	symmetric	symmetric	ADJ
eurjchem-286	196	6	stretching	stretching	NOUN
eurjchem-286	196	7	frequency	frequency	NOUN
eurjchem-286	196	8	of	of	ADP
eurjchem-286	196	9	3mpa	3mpa	PROPN
eurjchem-286	196	10	does	do	AUX
eurjchem-286	196	11	not	not	PART
eurjchem-286	196	12	show	show	VERB
eurjchem-286	196	13	any	any	DET
eurjchem-286	196	14	appreciable	appreciable	ADJ
eurjchem-286	196	15	variation	variation	NOUN
eurjchem-286	196	16	from	from	ADP
eurjchem-286	196	17	that	that	PRON
eurjchem-286	196	18	of	of	ADP
eurjchem-286	196	19	the	the	DET
eurjchem-286	196	20	corresponding	correspond	VERB
eurjchem-286	196	21	frequencies	frequency	NOUN
eurjchem-286	196	22	in	in	ADP
eurjchem-286	196	23	npa	npa	PROPN
eurjchem-286	196	24	,	,	PUNCT
eurjchem-286	196	25	2mpa	2mpa	PROPN
eurjchem-286	196	26	and	and	CCONJ
eurjchem-286	196	27	4mpa	4mpa	NOUN
eurjchem-286	196	28	.	.	PUNCT
eurjchem-286	197	1	the	the	DET
eurjchem-286	197	2	in‐	in‐	ADJ
eurjchem-286	197	3	plane	plane	NOUN
eurjchem-286	197	4	ccl2	ccl2	NOUN
eurjchem-286	197	5	deformation	deformation	NOUN
eurjchem-286	197	6	vibrations	vibration	NOUN
eurjchem-286	197	7	and	and	CCONJ
eurjchem-286	197	8	the	the	DET
eurjchem-286	197	9	out	out	NOUN
eurjchem-286	197	10	of	of	ADP
eurjchem-286	197	11	plane	plane	NOUN
eurjchem-286	197	12	ccl2	ccl2	NOUN
eurjchem-286	197	13	twisting	twisting	NOUN
eurjchem-286	197	14	and	and	CCONJ
eurjchem-286	197	15	wagging	wag	VERB
eurjchem-286	197	16	modes	mode	NOUN
eurjchem-286	197	17	are	be	AUX
eurjchem-286	197	18	obtained	obtain	VERB
eurjchem-286	197	19	in	in	ADP
eurjchem-286	197	20	the	the	DET
eurjchem-286	197	21	low	low	ADJ
eurjchem-286	197	22	frequency	frequency	NOUN
eurjchem-286	197	23	region	region	NOUN
eurjchem-286	197	24	of	of	ADP
eurjchem-286	197	25	the	the	DET
eurjchem-286	197	26	raman	raman	NOUN
eurjchem-286	197	27	spectra	spectra	NOUN
eurjchem-286	197	28	as	as	ADP
eurjchem-286	197	29	medium	medium	ADJ
eurjchem-286	197	30	to	to	ADP
eurjchem-286	197	31	strong	strong	ADJ
eurjchem-286	197	32	bands	band	NOUN
eurjchem-286	197	33	.	.	PUNCT
eurjchem-286	198	1	these	these	DET
eurjchem-286	198	2	assignments	assignment	NOUN
eurjchem-286	198	3	are	be	AUX
eurjchem-286	198	4	in	in	ADP
eurjchem-286	198	5	good	good	ADJ
eurjchem-286	198	6	agreement	agreement	NOUN
eurjchem-286	198	7	with	with	ADP
eurjchem-286	198	8	the	the	DET
eurjchem-286	198	9	literature	literature	NOUN
eurjchem-286	198	10	values	value	NOUN
eurjchem-286	198	11	[	[	X
eurjchem-286	198	12	1,44	1,44	X
eurjchem-286	198	13	]	]	PUNCT
eurjchem-286	198	14	and	and	CCONJ
eurjchem-286	198	15	well	well	ADV
eurjchem-286	198	16	supported	support	VERB
eurjchem-286	198	17	by	by	ADP
eurjchem-286	198	18	normal	normal	ADJ
eurjchem-286	198	19	coordinate	coordinate	NOUN
eurjchem-286	198	20	analysis	analysis	NOUN
eurjchem-286	198	21	.	.	PUNCT
eurjchem-286	199	1	the	the	DET
eurjchem-286	199	2	ccl2	ccl2	NOUN
eurjchem-286	199	3	wagging	wag	VERB
eurjchem-286	199	4	mode	mode	NOUN
eurjchem-286	199	5	significantly	significantly	ADV
eurjchem-286	199	6	overlaps	overlap	VERB
eurjchem-286	199	7	with	with	ADP
eurjchem-286	199	8	ccl2	ccl2	NOUN
eurjchem-286	199	9	twisting	twist	VERB
eurjchem-286	199	10	mode	mode	NOUN
eurjchem-286	199	11	and	and	CCONJ
eurjchem-286	199	12	vice	vice	ADV
eurjchem-286	199	13	versa	versa	ADV
eurjchem-286	199	14	and	and	CCONJ
eurjchem-286	199	15	also	also	ADV
eurjchem-286	199	16	the	the	DET
eurjchem-286	199	17	in‐plane	in‐plane	PROPN
eurjchem-286	199	18	c‐h	c‐h	PROPN
eurjchem-286	199	19	bending	bend	VERB
eurjchem-286	199	20	vibrations	vibration	NOUN
eurjchem-286	199	21	contributed	contribute	VERB
eurjchem-286	199	22	to	to	ADP
eurjchem-286	199	23	ccl2	ccl2	NOUN
eurjchem-286	199	24	deformation	deformation	NOUN
eurjchem-286	199	25	and	and	CCONJ
eurjchem-286	199	26	rocking	rocking	NOUN
eurjchem-286	199	27	modes	mode	NOUN
eurjchem-286	199	28	.	.	PUNCT
eurjchem-286	200	1	76	76	NUM
eurjchem-286	200	2	arjunan	arjunan	NOUN
eurjchem-286	200	3	et	et	PROPN
eurjchem-286	200	4	al	al	PROPN
eurjchem-286	200	5	.	.	PUNCT
eurjchem-286	200	6	/	/	SYM
eurjchem-286	200	7	european	european	PROPN
eurjchem-286	200	8	journal	journal	PROPN
eurjchem-286	200	9	of	of	ADP
eurjchem-286	200	10	chemistry	chemistry	NOUN
eurjchem-286	200	11	2	2	NUM
eurjchem-286	200	12	(	(	PUNCT
eurjchem-286	200	13	1	1	NUM
eurjchem-286	200	14	)	)	PUNCT
eurjchem-286	200	15	(	(	PUNCT
eurjchem-286	200	16	2011	2011	NUM
eurjchem-286	200	17	)	)	PUNCT
eurjchem-286	200	18	70‐76	70‐76	NOUN
eurjchem-286	200	19	computed	compute	VERB
eurjchem-286	200	20	harmonic	harmonic	ADJ
eurjchem-286	200	21	frequencies	frequency	NOUN
eurjchem-286	200	22	typically	typically	ADV
eurjchem-286	200	23	overestimate	overestimate	VERB
eurjchem-286	200	24	vibrational	vibrational	ADJ
eurjchem-286	200	25	fundamentals	fundamental	NOUN
eurjchem-286	200	26	due	due	ADJ
eurjchem-286	200	27	to	to	ADP
eurjchem-286	200	28	basis	basis	NOUN
eurjchem-286	200	29	set	set	VERB
eurjchem-286	200	30	truncation	truncation	NOUN
eurjchem-286	200	31	and	and	CCONJ
eurjchem-286	200	32	neglect	neglect	NOUN
eurjchem-286	200	33	of	of	ADP
eurjchem-286	200	34	electron	electron	NOUN
eurjchem-286	200	35	correlation	correlation	NOUN
eurjchem-286	200	36	and	and	CCONJ
eurjchem-286	200	37	mechanical	mechanical	ADJ
eurjchem-286	200	38	anharmonicity	anharmonicity	NOUN
eurjchem-286	201	1	[	[	X
eurjchem-286	201	2	45	45	NUM
eurjchem-286	201	3	]	]	PUNCT
eurjchem-286	201	4	.	.	PUNCT
eurjchem-286	202	1	to	to	PART
eurjchem-286	202	2	compensate	compensate	VERB
eurjchem-286	202	3	these	these	DET
eurjchem-286	202	4	shortcomings	shortcoming	NOUN
eurjchem-286	202	5	and	and	CCONJ
eurjchem-286	202	6	to	to	PART
eurjchem-286	202	7	correlate	correlate	VERB
eurjchem-286	202	8	the	the	DET
eurjchem-286	202	9	experimentally	experimentally	ADV
eurjchem-286	202	10	observed	observe	VERB
eurjchem-286	202	11	and	and	CCONJ
eurjchem-286	202	12	theoretically	theoretically	ADV
eurjchem-286	202	13	computed	compute	VERB
eurjchem-286	202	14	frequencies	frequency	NOUN
eurjchem-286	202	15	for	for	ADP
eurjchem-286	202	16	each	each	DET
eurjchem-286	202	17	vibrational	vibrational	ADJ
eurjchem-286	202	18	modes	mode	NOUN
eurjchem-286	202	19	of	of	ADP
eurjchem-286	202	20	the	the	DET
eurjchem-286	202	21	compounds	compound	NOUN
eurjchem-286	202	22	under	under	ADP
eurjchem-286	202	23	hf	hf	NOUN
eurjchem-286	202	24	and	and	CCONJ
eurjchem-286	202	25	dft‐b3lyp	dft‐b3lyp	PROPN
eurjchem-286	202	26	methods	method	NOUN
eurjchem-286	202	27	,	,	PUNCT
eurjchem-286	202	28	scale	scale	NOUN
eurjchem-286	202	29	factors	factor	NOUN
eurjchem-286	202	30	are	be	AUX
eurjchem-286	202	31	introduced	introduce	VERB
eurjchem-286	202	32	[	[	X
eurjchem-286	202	33	46‐54	46‐54	X
eurjchem-286	202	34	]	]	X
eurjchem-286	202	35	.	.	PUNCT
eurjchem-286	203	1	initially	initially	ADV
eurjchem-286	203	2	,	,	PUNCT
eurjchem-286	203	3	all	all	DET
eurjchem-286	203	4	scaling	scale	VERB
eurjchem-286	203	5	factors	factor	NOUN
eurjchem-286	203	6	have	have	AUX
eurjchem-286	203	7	been	be	AUX
eurjchem-286	203	8	kept	keep	VERB
eurjchem-286	203	9	fixed	fix	VERB
eurjchem-286	203	10	at	at	ADP
eurjchem-286	203	11	a	a	DET
eurjchem-286	203	12	value	value	NOUN
eurjchem-286	203	13	of	of	ADP
eurjchem-286	203	14	1.0	1.0	NUM
eurjchem-286	203	15	to	to	PART
eurjchem-286	203	16	produce	produce	VERB
eurjchem-286	203	17	the	the	DET
eurjchem-286	203	18	pure	pure	ADJ
eurjchem-286	203	19	hf	hf	NOUN
eurjchem-286	203	20	and	and	CCONJ
eurjchem-286	203	21	dft	dft	PROPN
eurjchem-286	203	22	calculated	calculate	VERB
eurjchem-286	203	23	vibrational	vibrational	ADJ
eurjchem-286	203	24	frequencies	frequency	NOUN
eurjchem-286	203	25	which	which	PRON
eurjchem-286	203	26	are	be	AUX
eurjchem-286	203	27	given	give	VERB
eurjchem-286	203	28	in	in	ADP
eurjchem-286	203	29	tables	table	NOUN
eurjchem-286	203	30	3	3	NUM
eurjchem-286	203	31	and	and	CCONJ
eurjchem-286	203	32	4	4	NUM
eurjchem-286	203	33	.	.	PUNCT
eurjchem-286	203	34	subsequently	subsequently	ADV
eurjchem-286	203	35	,	,	PUNCT
eurjchem-286	203	36	in	in	ADP
eurjchem-286	203	37	hf	hf	PROPN
eurjchem-286	203	38	method	method	NOUN
eurjchem-286	203	39	the	the	DET
eurjchem-286	203	40	scaling	scale	VERB
eurjchem-286	203	41	factors	factor	NOUN
eurjchem-286	203	42	0.84	0.84	NUM
eurjchem-286	203	43	and	and	CCONJ
eurjchem-286	203	44	0.91	0.91	NUM
eurjchem-286	203	45	used	use	VERB
eurjchem-286	203	46	for	for	ADP
eurjchem-286	203	47	n−h	n−h	PROPN
eurjchem-286	203	48	and	and	CCONJ
eurjchem-286	203	49	all	all	DET
eurjchem-286	203	50	other	other	ADJ
eurjchem-286	203	51	vibrations	vibration	NOUN
eurjchem-286	203	52	,	,	PUNCT
eurjchem-286	203	53	respectively	respectively	ADV
eurjchem-286	203	54	,	,	PUNCT
eurjchem-286	203	55	except	except	SCONJ
eurjchem-286	203	56	for	for	ADP
eurjchem-286	203	57	c	c	NOUN
eurjchem-286	203	58	=	=	NOUN
eurjchem-286	203	59	o	o	NOUN
eurjchem-286	203	60	stretching	stretching	NOUN
eurjchem-286	203	61	.	.	PUNCT
eurjchem-286	204	1	for	for	ADP
eurjchem-286	204	2	c	c	NOUN
eurjchem-286	204	3	=	=	NOUN
eurjchem-286	204	4	o	o	X
eurjchem-286	204	5	stretching	stretching	NOUN
eurjchem-286	204	6	,	,	PUNCT
eurjchem-286	204	7	0.86	0.86	NUM
eurjchem-286	204	8	and	and	CCONJ
eurjchem-286	204	9	0.85	0.85	NUM
eurjchem-286	204	10	were	be	AUX
eurjchem-286	204	11	used	use	VERB
eurjchem-286	204	12	with	with	ADP
eurjchem-286	204	13	6‐311++g(d	6‐311++g(d	NUM
eurjchem-286	204	14	,	,	PUNCT
eurjchem-286	204	15	p	p	NOUN
eurjchem-286	204	16	)	)	PUNCT
eurjchem-286	204	17	and	and	CCONJ
eurjchem-286	204	18	6‐31g(d	6‐31g(d	NUM
eurjchem-286	204	19	,	,	PUNCT
eurjchem-286	204	20	p	p	NOUN
eurjchem-286	204	21	)	)	PUNCT
eurjchem-286	204	22	basis	basis	NOUN
eurjchem-286	204	23	sets	set	NOUN
eurjchem-286	204	24	,	,	PUNCT
eurjchem-286	204	25	respectively	respectively	ADV
eurjchem-286	204	26	.	.	PUNCT
eurjchem-286	205	1	in	in	ADP
eurjchem-286	205	2	b3lyp	b3lyp	NUM
eurjchem-286	205	3	level	level	NOUN
eurjchem-286	205	4	the	the	DET
eurjchem-286	205	5	correction	correction	NOUN
eurjchem-286	205	6	factors	factor	VERB
eurjchem-286	205	7	0.90	0.90	NUM
eurjchem-286	205	8	,	,	PUNCT
eurjchem-286	205	9	0.96	0.96	NUM
eurjchem-286	205	10	and	and	CCONJ
eurjchem-286	205	11	0.99	0.99	NUM
eurjchem-286	205	12	for	for	ADP
eurjchem-286	205	13	n‐h	n‐h	NOUN
eurjchem-286	205	14	,	,	PUNCT
eurjchem-286	205	15	c‐h	c‐h	PROPN
eurjchem-286	205	16	and	and	CCONJ
eurjchem-286	205	17	all	all	DET
eurjchem-286	205	18	other	other	ADJ
eurjchem-286	205	19	frequencies	frequency	NOUN
eurjchem-286	205	20	of	of	ADP
eurjchem-286	205	21	3mpa	3mpa	NUM
eurjchem-286	205	22	while	while	NOUN
eurjchem-286	205	23	for	for	ADP
eurjchem-286	205	24	c	c	NOUN
eurjchem-286	205	25	=	=	SYM
eurjchem-286	205	26	o	o	NOUN
eurjchem-286	205	27	,	,	PUNCT
eurjchem-286	205	28	0.96	0.96	NUM
eurjchem-286	205	29	and	and	CCONJ
eurjchem-286	205	30	0.94	0.94	NUM
eurjchem-286	205	31	with	with	ADP
eurjchem-286	205	32	6‐311++g(d	6‐311++g(d	NUM
eurjchem-286	205	33	,	,	PUNCT
eurjchem-286	205	34	p	p	NOUN
eurjchem-286	205	35	)	)	PUNCT
eurjchem-286	205	36	and	and	CCONJ
eurjchem-286	205	37	6‐31g(d	6‐31g(d	NUM
eurjchem-286	205	38	,	,	PUNCT
eurjchem-286	205	39	p	p	NOUN
eurjchem-286	205	40	)	)	PUNCT
eurjchem-286	205	41	basis	basis	NOUN
eurjchem-286	205	42	sets	set	NOUN
eurjchem-286	205	43	are	be	AUX
eurjchem-286	205	44	the	the	DET
eurjchem-286	205	45	scale	scale	NOUN
eurjchem-286	205	46	factors	factor	NOUN
eurjchem-286	205	47	.	.	PUNCT
eurjchem-286	206	1	the	the	DET
eurjchem-286	206	2	resultant	resultant	NOUN
eurjchem-286	206	3	scaled	scale	VERB
eurjchem-286	206	4	frequencies	frequency	NOUN
eurjchem-286	206	5	are	be	AUX
eurjchem-286	206	6	also	also	ADV
eurjchem-286	206	7	listed	list	VERB
eurjchem-286	206	8	in	in	ADP
eurjchem-286	206	9	table	table	NOUN
eurjchem-286	206	10	3	3	NUM
eurjchem-286	206	11	and	and	CCONJ
eurjchem-286	206	12	4	4	NUM
eurjchem-286	206	13	.	.	X
eurjchem-286	207	1	these	these	PRON
eurjchem-286	207	2	are	be	AUX
eurjchem-286	207	3	much	much	ADV
eurjchem-286	207	4	closer	close	ADJ
eurjchem-286	207	5	to	to	ADP
eurjchem-286	207	6	unity	unity	NOUN
eurjchem-286	207	7	and	and	CCONJ
eurjchem-286	207	8	thus	thus	ADV
eurjchem-286	207	9	the	the	DET
eurjchem-286	207	10	vibrational	vibrational	ADJ
eurjchem-286	207	11	frequencies	frequency	NOUN
eurjchem-286	207	12	calculated	calculate	VERB
eurjchem-286	207	13	by	by	ADP
eurjchem-286	207	14	using	use	VERB
eurjchem-286	207	15	the	the	DET
eurjchem-286	207	16	b3lyp	b3lyp	NOUN
eurjchem-286	207	17	functional	functional	ADJ
eurjchem-286	207	18	with	with	ADP
eurjchem-286	207	19	6‐	6‐	PROPN
eurjchem-286	207	20	311++g(d	311++g(d	PROPN
eurjchem-286	207	21	,	,	PUNCT
eurjchem-286	207	22	p	p	NOUN
eurjchem-286	207	23	)	)	PUNCT
eurjchem-286	207	24	basis	basis	NOUN
eurjchem-286	207	25	set	set	NOUN
eurjchem-286	207	26	can	can	AUX
eurjchem-286	207	27	be	be	AUX
eurjchem-286	207	28	utilized	utilize	VERB
eurjchem-286	207	29	to	to	PART
eurjchem-286	207	30	eliminate	eliminate	VERB
eurjchem-286	207	31	the	the	DET
eurjchem-286	207	32	uncertainties	uncertainty	NOUN
eurjchem-286	207	33	in	in	ADP
eurjchem-286	207	34	the	the	DET
eurjchem-286	207	35	fundamental	fundamental	ADJ
eurjchem-286	207	36	assignments	assignment	NOUN
eurjchem-286	207	37	in	in	ADP
eurjchem-286	207	38	infrared	infrared	NOUN
eurjchem-286	207	39	and	and	CCONJ
eurjchem-286	207	40	raman	raman	NOUN
eurjchem-286	207	41	vibrational	vibrational	NOUN
eurjchem-286	207	42	spectra	spectra	NOUN
eurjchem-286	207	43	.	.	PUNCT
eurjchem-286	208	1	4	4	X
eurjchem-286	208	2	.	.	X
eurjchem-286	208	3	conclusion	conclusion	VERB
eurjchem-286	208	4	the	the	DET
eurjchem-286	208	5	molecular	molecular	ADJ
eurjchem-286	208	6	structural	structural	ADJ
eurjchem-286	208	7	parameters	parameter	NOUN
eurjchem-286	208	8	,	,	PUNCT
eurjchem-286	208	9	thermodynamic	thermodynamic	ADJ
eurjchem-286	208	10	properties	property	NOUN
eurjchem-286	208	11	and	and	CCONJ
eurjchem-286	208	12	vibrational	vibrational	ADJ
eurjchem-286	208	13	frequencies	frequency	NOUN
eurjchem-286	208	14	of	of	ADP
eurjchem-286	208	15	the	the	DET
eurjchem-286	208	16	fundamental	fundamental	ADJ
eurjchem-286	208	17	modes	mode	NOUN
eurjchem-286	208	18	of	of	ADP
eurjchem-286	208	19	the	the	DET
eurjchem-286	208	20	optimized	optimize	VERB
eurjchem-286	208	21	geometry	geometry	NOUN
eurjchem-286	208	22	of	of	ADP
eurjchem-286	208	23	3mpa	3mpa	PROPN
eurjchem-286	208	24	have	have	AUX
eurjchem-286	208	25	been	be	AUX
eurjchem-286	208	26	determined	determine	VERB
eurjchem-286	208	27	from	from	ADP
eurjchem-286	208	28	hf	hf	ADJ
eurjchem-286	208	29	and	and	CCONJ
eurjchem-286	208	30	dft‐b3lyp	dft‐b3lyp	PROPN
eurjchem-286	208	31	methods	method	NOUN
eurjchem-286	208	32	.	.	PUNCT
eurjchem-286	209	1	the	the	DET
eurjchem-286	209	2	ft‐ir	ft‐ir	NOUN
eurjchem-286	209	3	and	and	CCONJ
eurjchem-286	209	4	ft‐raman	ft‐raman	ADJ
eurjchem-286	209	5	vibrational	vibrational	ADJ
eurjchem-286	209	6	frequencies	frequency	NOUN
eurjchem-286	209	7	of	of	ADP
eurjchem-286	209	8	the	the	DET
eurjchem-286	209	9	compounds	compound	NOUN
eurjchem-286	209	10	under	under	ADP
eurjchem-286	209	11	investigations	investigation	NOUN
eurjchem-286	209	12	revealed	reveal	VERB
eurjchem-286	209	13	close	close	ADJ
eurjchem-286	209	14	similarities	similarity	NOUN
eurjchem-286	209	15	in	in	ADP
eurjchem-286	209	16	the	the	DET
eurjchem-286	209	17	magnitudes	magnitude	NOUN
eurjchem-286	209	18	of	of	ADP
eurjchem-286	209	19	the	the	DET
eurjchem-286	209	20	frequencies	frequency	NOUN
eurjchem-286	209	21	when	when	SCONJ
eurjchem-286	209	22	compared	compare	VERB
eurjchem-286	209	23	with	with	ADP
eurjchem-286	209	24	2mpa	2mpa	PROPN
eurjchem-286	209	25	and	and	CCONJ
eurjchem-286	209	26	3mpa	3mpa	NUM
eurjchem-286	209	27	,	,	PUNCT
eurjchem-286	209	28	in	in	ADP
eurjchem-286	209	29	spite	spite	NOUN
eurjchem-286	209	30	of	of	ADP
eurjchem-286	209	31	the	the	DET
eurjchem-286	209	32	fact	fact	NOUN
eurjchem-286	209	33	that	that	SCONJ
eurjchem-286	209	34	the	the	DET
eurjchem-286	209	35	methyl	methyl	NOUN
eurjchem-286	209	36	substituent	substituent	NOUN
eurjchem-286	209	37	in	in	ADP
eurjchem-286	209	38	the	the	DET
eurjchem-286	209	39	phenyl	phenyl	NOUN
eurjchem-286	209	40	ring	ring	NOUN
eurjchem-286	209	41	are	be	AUX
eurjchem-286	209	42	at	at	ADP
eurjchem-286	209	43	different	different	ADJ
eurjchem-286	209	44	positions	position	NOUN
eurjchem-286	209	45	.	.	PUNCT
eurjchem-286	210	1	the	the	DET
eurjchem-286	210	2	comparison	comparison	NOUN
eurjchem-286	210	3	of	of	ADP
eurjchem-286	210	4	the	the	DET
eurjchem-286	210	5	fundamental	fundamental	ADJ
eurjchem-286	210	6	vibrations	vibration	NOUN
eurjchem-286	210	7	,	,	PUNCT
eurjchem-286	210	8	the	the	DET
eurjchem-286	210	9	following	follow	VERB
eurjchem-286	210	10	observations	observation	NOUN
eurjchem-286	210	11	are	be	AUX
eurjchem-286	210	12	made	make	VERB
eurjchem-286	210	13	:	:	PUNCT
eurjchem-286	210	14	the	the	DET
eurjchem-286	210	15	magnitude	magnitude	NOUN
eurjchem-286	210	16	of	of	ADP
eurjchem-286	210	17	c	c	NOUN
eurjchem-286	210	18	=	=	NOUN
eurjchem-286	210	19	o	o	NOUN
eurjchem-286	210	20	frequency	frequency	NOUN
eurjchem-286	210	21	variation	variation	NOUN
eurjchem-286	210	22	is	be	AUX
eurjchem-286	210	23	also	also	ADV
eurjchem-286	210	24	not	not	PART
eurjchem-286	210	25	significantly	significantly	ADV
eurjchem-286	210	26	influenced	influence	VERB
eurjchem-286	210	27	by	by	ADP
eurjchem-286	210	28	the	the	DET
eurjchem-286	210	29	position	position	NOUN
eurjchem-286	210	30	of	of	ADP
eurjchem-286	210	31	methyl	methyl	NOUN
eurjchem-286	210	32	group	group	NOUN
eurjchem-286	210	33	.	.	PUNCT
eurjchem-286	211	1	in	in	ADP
eurjchem-286	211	2	the	the	DET
eurjchem-286	211	3	present	present	ADJ
eurjchem-286	211	4	investigation	investigation	NOUN
eurjchem-286	211	5	,	,	PUNCT
eurjchem-286	211	6	there	there	PRON
eurjchem-286	211	7	is	be	VERB
eurjchem-286	211	8	no	no	DET
eurjchem-286	211	9	increase	increase	NOUN
eurjchem-286	211	10	in	in	ADP
eurjchem-286	211	11	the	the	DET
eurjchem-286	211	12	n‐h	n‐h	DET
eurjchem-286	211	13	stretching	stretch	VERB
eurjchem-286	211	14	frequency	frequency	NOUN
eurjchem-286	211	15	of	of	ADP
eurjchem-286	211	16	3mpa	3mpa	NUM
eurjchem-286	211	17	than	than	ADP
eurjchem-286	211	18	that	that	PRON
eurjchem-286	211	19	of	of	ADP
eurjchem-286	211	20	n‐phenyl‐2,2‐dichloro‐	n‐phenyl‐2,2‐dichloro‐	DET
eurjchem-286	211	21	acetamide	acetamide	NOUN
eurjchem-286	211	22	,	,	PUNCT
eurjchem-286	211	23	clearly	clearly	ADV
eurjchem-286	211	24	confirms	confirm	VERB
eurjchem-286	211	25	that	that	SCONJ
eurjchem-286	211	26	the	the	DET
eurjchem-286	211	27	steric	steric	ADJ
eurjchem-286	211	28	effect	effect	NOUN
eurjchem-286	211	29	due	due	ADP
eurjchem-286	211	30	to	to	ADP
eurjchem-286	211	31	m‐	m‐	VERB
eurjchem-286	211	32	methyl	methyl	NOUN
eurjchem-286	211	33	group	group	NOUN
eurjchem-286	211	34	is	be	AUX
eurjchem-286	211	35	not	not	PART
eurjchem-286	211	36	significantly	significantly	ADV
eurjchem-286	211	37	operating	operate	VERB
eurjchem-286	211	38	on	on	ADP
eurjchem-286	211	39	the	the	DET
eurjchem-286	211	40	n‐h	n‐h	NOUN
eurjchem-286	211	41	.	.	PUNCT
eurjchem-286	212	1	the	the	DET
eurjchem-286	212	2	comparison	comparison	NOUN
eurjchem-286	212	3	of	of	ADP
eurjchem-286	212	4	other	other	ADJ
eurjchem-286	212	5	amide	amide	NOUN
eurjchem-286	212	6	group	group	NOUN
eurjchem-286	212	7	frequencies	frequency	NOUN
eurjchem-286	212	8	did	do	AUX
eurjchem-286	212	9	not	not	PART
eurjchem-286	212	10	show	show	VERB
eurjchem-286	212	11	any	any	DET
eurjchem-286	212	12	appreciable	appreciable	ADJ
eurjchem-286	212	13	variation	variation	NOUN
eurjchem-286	212	14	in	in	ADP
eurjchem-286	212	15	the	the	DET
eurjchem-286	212	16	respective	respective	ADJ
eurjchem-286	212	17	wave	wave	NOUN
eurjchem-286	212	18	numbers	number	NOUN
eurjchem-286	212	19	except	except	SCONJ
eurjchem-286	212	20	the	the	DET
eurjchem-286	212	21	amide	amide	NOUN
eurjchem-286	212	22	iv	iv	NUM
eurjchem-286	212	23	band	band	NOUN
eurjchem-286	212	24	,	,	PUNCT
eurjchem-286	212	25	c	c	PROPN
eurjchem-286	212	26	=	=	ADJ
eurjchem-286	212	27	o	o	X
eurjchem-286	212	28	in‐plane	in‐plane	NOUN
eurjchem-286	212	29	bending	bending	NOUN
eurjchem-286	212	30	and	and	CCONJ
eurjchem-286	212	31	the	the	DET
eurjchem-286	212	32	amide‐vi	amide‐vi	ADJ
eurjchem-286	212	33	band	band	NOUN
eurjchem-286	212	34	,	,	PUNCT
eurjchem-286	212	35	c	c	PROPN
eurjchem-286	212	36	=	=	X
eurjchem-286	212	37	o	o	X
eurjchem-286	212	38	out	out	ADP
eurjchem-286	212	39	of	of	ADP
eurjchem-286	212	40	plane	plane	NOUN
eurjchem-286	212	41	bending	bend	VERB
eurjchem-286	212	42	mode	mode	NOUN
eurjchem-286	212	43	of	of	ADP
eurjchem-286	212	44	the	the	DET
eurjchem-286	212	45	compounds	compound	NOUN
eurjchem-286	212	46	.	.	PUNCT
eurjchem-286	213	1	the	the	DET
eurjchem-286	213	2	basis	basis	NOUN
eurjchem-286	213	3	set	set	VERB
eurjchem-286	213	4	6‐311++g(d	6‐311++g(d	NUM
eurjchem-286	213	5	,	,	PUNCT
eurjchem-286	213	6	p	p	NOUN
eurjchem-286	213	7	)	)	PUNCT
eurjchem-286	213	8	is	be	AUX
eurjchem-286	213	9	reliable	reliable	ADJ
eurjchem-286	213	10	for	for	ADP
eurjchem-286	213	11	the	the	DET
eurjchem-286	213	12	determination	determination	NOUN
eurjchem-286	213	13	of	of	ADP
eurjchem-286	213	14	the	the	DET
eurjchem-286	213	15	electronic	electronic	ADJ
eurjchem-286	213	16	structure	structure	NOUN
eurjchem-286	213	17	by	by	ADP
eurjchem-286	213	18	quantum	quantum	ADJ
eurjchem-286	213	19	chemical	chemical	NOUN
eurjchem-286	213	20	investigations	investigation	NOUN
eurjchem-286	213	21	of	of	ADP
eurjchem-286	213	22	such	such	ADJ
eurjchem-286	213	23	complex	complex	ADJ
eurjchem-286	213	24	compounds	compound	NOUN
eurjchem-286	213	25	.	.	PUNCT
eurjchem-286	214	1	references	reference	NOUN
eurjchem-286	214	2	[	[	X
eurjchem-286	214	3	1	1	NUM
eurjchem-286	214	4	]	]	PUNCT
eurjchem-286	214	5	.	.	PUNCT
eurjchem-286	215	1	arjunan	arjunan	PROPN
eurjchem-286	215	2	,	,	PUNCT
eurjchem-286	215	3	v.	v.	PROPN
eurjchem-286	215	4	;	;	PUNCT
eurjchem-286	215	5	mohan	mohan	PROPN
eurjchem-286	215	6	,	,	PUNCT
eurjchem-286	215	7	s.	s.	PROPN
eurjchem-286	215	8	;	;	PUNCT
eurjchem-286	215	9	subramanian	subramanian	PROPN
eurjchem-286	215	10	,	,	PUNCT
eurjchem-286	215	11	s.	s.	PROPN
eurjchem-286	215	12	;	;	PUNCT
eurjchem-286	215	13	thimme	thimme	PROPN
eurjchem-286	215	14	gowda	gowda	PROPN
eurjchem-286	215	15	,	,	PUNCT
eurjchem-286	215	16	b.	b.	PROPN
eurjchem-286	215	17	spectrochim	spectrochim	PROPN
eurjchem-286	215	18	.	.	PUNCT
eurjchem-286	216	1	acta	acta	PROPN
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eurjchem-286	216	3	,	,	PUNCT
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eurjchem-286	216	5	,	,	PUNCT
eurjchem-286	216	6	1141‐1159	1141‐1159	NUM
eurjchem-286	216	7	.	.	PUNCT
eurjchem-286	217	1	[	[	X
eurjchem-286	217	2	2	2	NUM
eurjchem-286	217	3	]	]	PUNCT
eurjchem-286	217	4	.	.	PUNCT
eurjchem-286	218	1	scott	scott	PROPN
eurjchem-286	218	2	,	,	PUNCT
eurjchem-286	218	3	a.	a.	PROPN
eurjchem-286	218	4	c.	c.	PROPN
eurjchem-286	218	5	physica	physica	PROPN
eurjchem-286	218	6	d	d	PROPN
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eurjchem-286	218	8	,	,	PUNCT
eurjchem-286	218	9	51	51	NUM
eurjchem-286	218	10	,	,	PUNCT
eurjchem-286	218	11	333‐342	333‐342	NUM
eurjchem-286	218	12	.	.	PUNCT
eurjchem-286	219	1	[	[	X
eurjchem-286	219	2	3	3	NUM
eurjchem-286	219	3	]	]	PUNCT
eurjchem-286	219	4	.	.	PUNCT
eurjchem-286	220	1	scott	scott	PROPN
eurjchem-286	220	2	,	,	PUNCT
eurjchem-286	220	3	a.	a.	PROPN
eurjchem-286	220	4	c.	c.	PROPN
eurjchem-286	220	5	;	;	PUNCT
eurjchem-286	220	6	bigio	bigio	NOUN
eurjchem-286	220	7	,	,	PUNCT
eurjchem-286	220	8	i.	i.	PROPN
eurjchem-286	220	9	j.	j.	PROPN
eurjchem-286	220	10	;	;	PUNCT
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eurjchem-286	220	12	,	,	PUNCT
eurjchem-286	220	13	c.	c.	PROPN
eurjchem-286	220	14	t.	t.	PROPN
eurjchem-286	220	15	phys	phys	PROPN
eurjchem-286	220	16	.	.	PUNCT
eurjchem-286	221	1	rev	rev	PROPN
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eurjchem-286	222	1	b	b	PROPN
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eurjchem-286	222	3	,	,	PUNCT
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eurjchem-286	222	5	,	,	PUNCT
eurjchem-286	222	6	12883‐	12883‐	NUM
eurjchem-286	222	7	12887	12887	NUM
eurjchem-286	222	8	.	.	PUNCT
eurjchem-286	223	1	[	[	X
eurjchem-286	223	2	4	4	NUM
eurjchem-286	223	3	]	]	PUNCT
eurjchem-286	223	4	.	.	PUNCT
eurjchem-286	224	1	benkui	benkui	NOUN
eurjchem-286	224	2	,	,	PUNCT
eurjchem-286	224	3	t.	t.	PROPN
eurjchem-286	224	4	;	;	PUNCT
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eurjchem-286	224	8	b.	b.	PROPN
eurjchem-286	224	9	phys	phys	PROPN
eurjchem-286	224	10	.	.	PUNCT
eurjchem-286	225	1	lett	lett	PROPN
eurjchem-286	225	2	.	.	PUNCT
eurjchem-286	226	1	a	a	DET
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eurjchem-286	226	3	,	,	PUNCT
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eurjchem-286	226	5	,	,	PUNCT
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eurjchem-286	227	1	[	[	X
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eurjchem-286	227	3	]	]	PUNCT
eurjchem-286	227	4	.	.	PUNCT
eurjchem-286	228	1	xiao	xiao	PROPN
eurjchem-286	228	2	,	,	PUNCT
eurjchem-286	228	3	y.	y.	PROPN
eurjchem-286	228	4	phys	phys	PROPN
eurjchem-286	228	5	.	.	PUNCT
eurjchem-286	229	1	lett	lett	PROPN
eurjchem-286	229	2	.	.	PUNCT
eurjchem-286	230	1	a	a	DET
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eurjchem-286	230	3	,	,	PUNCT
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eurjchem-286	230	5	,	,	PUNCT
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eurjchem-286	230	7	.	.	PUNCT
eurjchem-286	231	1	[	[	X
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eurjchem-286	231	3	]	]	PUNCT
eurjchem-286	231	4	.	.	PUNCT
eurjchem-286	232	1	tekic	tekic	PROPN
eurjchem-286	232	2	,	,	PUNCT
eurjchem-286	232	3	j.	j.	PROPN
eurjchem-286	232	4	;	;	PUNCT
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eurjchem-286	232	6	,	,	PUNCT
eurjchem-286	232	7	z.	z.	PROPN
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eurjchem-286	232	13	phys	phys	PROPN
eurjchem-286	232	14	.	.	PUNCT
eurjchem-286	233	1	condens	condens	PROPN
eurjchem-286	233	2	.	.	PUNCT
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eurjchem-286	234	2	.	.	PUNCT
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eurjchem-286	235	2	,	,	PUNCT
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eurjchem-286	235	4	,	,	PUNCT
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eurjchem-286	235	7	.	.	PUNCT
eurjchem-286	236	1	[	[	X
eurjchem-286	236	2	7	7	NUM
eurjchem-286	236	3	]	]	PUNCT
eurjchem-286	236	4	.	.	PUNCT
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eurjchem-286	236	8	;	;	PUNCT
eurjchem-286	236	9	aubry	aubry	PROPN
eurjchem-286	236	10	,	,	PUNCT
eurjchem-286	236	11	s.	s.	PROPN
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eurjchem-286	237	2	.	.	PUNCT
eurjchem-286	238	1	a	a	DET
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eurjchem-286	238	3	,	,	PUNCT
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eurjchem-286	238	5	,	,	PUNCT
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eurjchem-286	238	8	.	.	PUNCT
eurjchem-286	239	1	[	[	X
eurjchem-286	239	2	8	8	NUM
eurjchem-286	239	3	]	]	PUNCT
eurjchem-286	239	4	.	.	PUNCT
eurjchem-286	240	1	pang	pang	NOUN
eurjchem-286	240	2	,	,	PUNCT
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eurjchem-286	240	5	;	;	PUNCT
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eurjchem-286	240	12	.	.	PUNCT
eurjchem-286	241	1	chem	chem	PROPN
eurjchem-286	241	2	.	.	PUNCT
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eurjchem-286	242	3	,	,	PUNCT
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eurjchem-286	242	5	,	,	PUNCT
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eurjchem-286	242	7	.	.	PUNCT
eurjchem-286	243	1	[	[	X
eurjchem-286	243	2	9	9	NUM
eurjchem-286	243	3	]	]	PUNCT
eurjchem-286	243	4	.	.	PUNCT
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eurjchem-286	244	2	,	,	PUNCT
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eurjchem-286	244	7	phys	phys	PROPN
eurjchem-286	244	8	.	.	PUNCT
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eurjchem-286	245	2	,	,	PUNCT
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eurjchem-286	245	4	,	,	PUNCT
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eurjchem-286	245	6	.	.	PUNCT
eurjchem-286	246	1	[	[	X
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eurjchem-286	246	3	]	]	PUNCT
eurjchem-286	246	4	.	.	PUNCT
eurjchem-286	247	1	hirota	hirota	PROPN
eurjchem-286	247	2	,	,	PUNCT
eurjchem-286	247	3	e.	e.	PROPN
eurjchem-286	247	4	;	;	PUNCT
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eurjchem-286	247	6	,	,	PUNCT
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eurjchem-286	247	8	;	;	PUNCT
eurjchem-286	247	9	nielsen	nielsen	PROPN
eurjchem-286	247	10	,	,	PUNCT
eurjchem-286	247	11	c.	c.	PROPN
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eurjchem-286	247	13	;	;	PUNCT
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eurjchem-286	247	17	j.	j.	PROPN
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eurjchem-286	247	21	.	.	PUNCT
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eurjchem-286	248	2	,	,	PUNCT
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eurjchem-286	248	4	,	,	PUNCT
eurjchem-286	248	5	251‐267	251‐267	NUM
eurjchem-286	248	6	.	.	PUNCT
eurjchem-286	249	1	[	[	X
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eurjchem-286	249	3	]	]	PUNCT
eurjchem-286	249	4	.	.	PUNCT
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eurjchem-286	250	2	,	,	PUNCT
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eurjchem-286	250	4	;	;	PUNCT
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eurjchem-286	250	6	,	,	PUNCT
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eurjchem-286	250	9	;	;	PUNCT
eurjchem-286	250	10	schafer	schafer	PROPN
eurjchem-286	250	11	,	,	PUNCT
eurjchem-286	250	12	l.	l.	PROPN
eurjchem-286	250	13	;	;	PUNCT
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eurjchem-286	250	20	,	,	PUNCT
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eurjchem-286	250	24	.	.	PUNCT
eurjchem-286	251	1	chem	chem	PROPN
eurjchem-286	251	2	.	.	PUNCT
eurjchem-286	252	1	soc	soc	PROPN
eurjchem-286	252	2	.	.	PUNCT
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eurjchem-286	253	2	,	,	PUNCT
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eurjchem-286	253	4	,	,	PUNCT
eurjchem-286	253	5	4364‐4367	4364‐4367	NUM
eurjchem-286	253	6	.	.	PUNCT
eurjchem-286	254	1	[	[	X
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eurjchem-286	254	3	]	]	PUNCT
eurjchem-286	254	4	.	.	PUNCT
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eurjchem-286	255	2	,	,	PUNCT
eurjchem-286	255	3	a.	a.	PROPN
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eurjchem-286	255	5	;	;	PUNCT
eurjchem-286	255	6	caminati	caminati	PROPN
eurjchem-286	255	7	,	,	PUNCT
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eurjchem-286	256	1	soc	soc	PROPN
eurjchem-286	256	2	.	.	PUNCT
eurjchem-286	256	3	,	,	PUNCT
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eurjchem-286	256	6	.	.	PROPN
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eurjchem-286	256	8	,	,	PUNCT
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eurjchem-286	256	10	,	,	PUNCT
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eurjchem-286	257	1	[	[	X
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eurjchem-286	257	4	.	.	PUNCT
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eurjchem-286	258	4	;	;	PUNCT
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eurjchem-286	258	6	,	,	PUNCT
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eurjchem-286	258	8	;	;	PUNCT
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eurjchem-286	258	10	,	,	PUNCT
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eurjchem-286	259	2	,	,	PUNCT
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eurjchem-286	259	4	,	,	PUNCT
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eurjchem-286	259	6	.	.	PUNCT
eurjchem-286	260	1	[	[	X
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eurjchem-286	260	3	]	]	PUNCT
eurjchem-286	260	4	.	.	PUNCT
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eurjchem-286	261	17	.	.	PUNCT
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eurjchem-286	263	2	.	.	PUNCT
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eurjchem-286	264	2	,	,	PUNCT
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eurjchem-286	264	4	,	,	PUNCT
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eurjchem-286	264	6	.	.	PUNCT
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eurjchem-286	265	3	]	]	PUNCT
eurjchem-286	265	4	.	.	PUNCT
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eurjchem-286	266	21	.	.	PUNCT
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eurjchem-286	268	2	,	,	PUNCT
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eurjchem-286	268	4	,	,	PUNCT
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eurjchem-286	268	6	.	.	PUNCT
eurjchem-286	269	1	[	[	X
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eurjchem-286	269	3	]	]	PUNCT
eurjchem-286	269	4	.	.	PUNCT
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eurjchem-286	272	2	,	,	PUNCT
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eurjchem-286	273	4	.	.	PUNCT
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eurjchem-286	274	7	.	.	PUNCT
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eurjchem-286	275	2	.	.	PUNCT
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eurjchem-286	276	2	,	,	PUNCT
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eurjchem-286	276	4	,	,	PUNCT
eurjchem-286	276	5	536‐538	536‐538	NUM
eurjchem-286	276	6	.	.	PUNCT
eurjchem-286	277	1	[	[	X
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eurjchem-286	277	4	.	.	PUNCT
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eurjchem-286	279	2	.	.	PROPN
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eurjchem-286	279	4	,	,	PUNCT
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eurjchem-286	279	8	.	.	PUNCT
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eurjchem-286	280	4	.	.	PUNCT
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eurjchem-286	282	2	,	,	PUNCT
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eurjchem-286	282	4	,	,	PUNCT
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eurjchem-286	283	3	]	]	PUNCT
eurjchem-286	283	4	.	.	PUNCT
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eurjchem-286	284	2	,	,	PUNCT
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eurjchem-286	285	2	.	.	PUNCT
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eurjchem-286	286	3	,	,	PUNCT
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eurjchem-286	287	4	.	.	PUNCT
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eurjchem-286	289	2	,	,	PUNCT
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eurjchem-286	289	4	,	,	PUNCT
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eurjchem-286	289	6	.	.	PUNCT
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eurjchem-286	290	4	.	.	PUNCT
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eurjchem-286	291	2	,	,	PUNCT
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eurjchem-286	291	4	;	;	PUNCT
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eurjchem-286	292	2	,	,	PUNCT
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eurjchem-286	327	331	c.	c.	PROPN
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eurjchem-286	327	336	a.	a.	NOUN
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eurjchem-286	327	345	m.	m.	PROPN
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eurjchem-286	327	347	;	;	PUNCT
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eurjchem-286	327	349	,	,	PUNCT
eurjchem-286	327	350	b.	b.	PROPN
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eurjchem-286	327	354	w.	w.	PROPN
eurjchem-286	327	355	;	;	PUNCT
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eurjchem-286	327	357	,	,	PUNCT
eurjchem-286	327	358	m.	m.	PROPN
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eurjchem-286	327	360	;	;	PUNCT
eurjchem-286	327	361	gonzalez	gonzalez	PROPN
eurjchem-286	327	362	,	,	PUNCT
eurjchem-286	327	363	c.	c.	PROPN
eurjchem-286	327	364	;	;	PUNCT
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eurjchem-286	327	367	j.	j.	PROPN
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eurjchem-286	327	373	c.02	c.02	PROPN
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eurjchem-286	327	378	,	,	PUNCT
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eurjchem-286	327	383	.	.	PUNCT
eurjchem-286	328	1	[	[	X
eurjchem-286	328	2	34	34	NUM
eurjchem-286	328	3	]	]	PUNCT
eurjchem-286	328	4	.	.	PUNCT
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eurjchem-286	329	5	b.	b.	PROPN
eurjchem-286	329	6	j.	j.	PROPN
eurjchem-286	329	7	chem	chem	PROPN
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eurjchem-286	330	2	.	.	PUNCT
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eurjchem-286	331	2	,	,	PUNCT
eurjchem-286	331	3	7	7	NUM
eurjchem-286	331	4	,	,	PUNCT
eurjchem-286	331	5	1047‐1052	1047‐1052	NUM
eurjchem-286	331	6	.	.	PUNCT
eurjchem-286	332	1	[	[	X
eurjchem-286	332	2	35	35	NUM
eurjchem-286	332	3	]	]	PUNCT
eurjchem-286	332	4	.	.	PUNCT
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eurjchem-286	333	3	,	,	PUNCT
eurjchem-286	333	4	e.	e.	PROPN
eurjchem-286	333	5	b.	b.	PROPN
eurjchem-286	333	6	j.	j.	PROPN
eurjchem-286	333	7	chem	chem	PROPN
eurjchem-286	333	8	.	.	PUNCT
eurjchem-286	334	1	phys	phy	NOUN
eurjchem-286	334	2	.	.	PUNCT
eurjchem-286	335	1	1941	1941	NUM
eurjchem-286	335	2	,	,	PUNCT
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eurjchem-286	335	4	,	,	PUNCT
eurjchem-286	335	5	76‐78	76‐78	NUM
eurjchem-286	335	6	.	.	PUNCT
eurjchem-286	336	1	[	[	X
eurjchem-286	336	2	36	36	NUM
eurjchem-286	336	3	]	]	PUNCT
eurjchem-286	336	4	.	.	PUNCT
eurjchem-286	337	1	wilson	wilson	PROPN
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eurjchem-286	337	3	,	,	PUNCT
eurjchem-286	337	4	e.	e.	PROPN
eurjchem-286	337	5	b.	b.	PROPN
eurjchem-286	337	6	;	;	PUNCT
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eurjchem-286	337	9	j.	j.	PROPN
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eurjchem-286	337	13	,	,	PUNCT
eurjchem-286	337	14	p.	p.	PROPN
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eurjchem-286	337	18	,	,	PUNCT
eurjchem-286	337	19	mcgraw	mcgraw	PROPN
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eurjchem-286	337	26	.	.	PUNCT
eurjchem-286	338	1	[	[	X
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eurjchem-286	338	3	]	]	PUNCT
eurjchem-286	338	4	.	.	PUNCT
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eurjchem-286	339	2	,	,	PUNCT
eurjchem-286	339	3	h.	h.	PROPN
eurjchem-286	339	4	;	;	PUNCT
eurjchem-286	339	5	kartha	kartha	PROPN
eurjchem-286	339	6	,	,	PUNCT
eurjchem-286	339	7	v.	v.	PROPN
eurjchem-286	339	8	b.	b.	PROPN
eurjchem-286	339	9	;	;	PUNCT
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eurjchem-286	339	11	,	,	PUNCT
eurjchem-286	339	12	k.	k.	PROPN
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eurjchem-286	339	14	;	;	PUNCT
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eurjchem-286	339	17	p.	p.	PROPN
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eurjchem-286	339	19	;	;	PUNCT
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eurjchem-286	339	42	,	,	PUNCT
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eurjchem-286	340	3	]	]	PUNCT
eurjchem-286	340	4	.	.	PUNCT
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eurjchem-286	341	2	,	,	PUNCT
eurjchem-286	341	3	h.	h.	PROPN
eurjchem-286	341	4	j.	j.	PROPN
eurjchem-286	341	5	;	;	PUNCT
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eurjchem-286	341	8	r.	r.	PROPN
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eurjchem-286	341	10	;	;	PUNCT
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eurjchem-286	341	13	s.	s.	PROPN
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eurjchem-286	342	3	,	,	PUNCT
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eurjchem-286	342	5	,	,	PUNCT
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eurjchem-286	342	8	.	.	PUNCT
eurjchem-286	343	1	[	[	X
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eurjchem-286	343	3	]	]	PUNCT
eurjchem-286	343	4	.	.	PUNCT
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eurjchem-286	344	4	;	;	PUNCT
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eurjchem-286	344	11	s.	s.	PROPN
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eurjchem-286	344	13	.	.	PUNCT
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eurjchem-286	345	3	,	,	PUNCT
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eurjchem-286	345	5	,	,	PUNCT
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eurjchem-286	346	3	]	]	PUNCT
eurjchem-286	346	4	.	.	PUNCT
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eurjchem-286	347	2	,	,	PUNCT
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eurjchem-286	349	4	.	.	PUNCT
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eurjchem-286	350	4	;	;	PUNCT
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eurjchem-286	350	8	;	;	PUNCT
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eurjchem-286	351	2	,	,	PUNCT
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eurjchem-286	351	4	,	,	PUNCT
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eurjchem-286	351	6	.	.	PUNCT
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eurjchem-286	353	5	;	;	PUNCT
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eurjchem-286	353	13	;	;	PUNCT
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eurjchem-286	354	2	.	.	PUNCT
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eurjchem-286	355	2	,	,	PUNCT
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eurjchem-286	355	4	,	,	PUNCT
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eurjchem-286	355	6	.	.	PUNCT
eurjchem-286	356	1	[	[	X
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eurjchem-286	356	3	]	]	PUNCT
eurjchem-286	356	4	.	.	PUNCT
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eurjchem-286	356	15	.	.	PUNCT
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eurjchem-286	357	3	,	,	PUNCT
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eurjchem-286	357	7	.	.	PUNCT
eurjchem-286	358	1	[	[	X
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eurjchem-286	358	4	.	.	PUNCT
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eurjchem-286	359	7	,	,	PUNCT
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eurjchem-286	360	2	,	,	PUNCT
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eurjchem-286	360	6	.	.	PUNCT
eurjchem-286	361	1	[	[	X
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eurjchem-286	361	3	]	]	PUNCT
eurjchem-286	361	4	.	.	PUNCT
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eurjchem-286	362	5	;	;	PUNCT
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eurjchem-286	362	7	,	,	PUNCT
eurjchem-286	362	8	h.	h.	PROPN
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eurjchem-286	362	10	;	;	PUNCT
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eurjchem-286	366	2	,	,	PUNCT
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eurjchem-286	367	3	]	]	PUNCT
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