id	sid	tid	token	lemma	pos
eurjchem-2546	1	1	excited	excite	VERB
eurjchem-2546	1	2	states	state	NOUN
eurjchem-2546	1	3	of	of	ADP
eurjchem-2546	1	4	diphenylacetylene	diphenylacetylene	PROPN
eurjchem-2546	1	5	(	(	PUNCT
eurjchem-2546	1	6	tolan	tolan	PROPN
eurjchem-2546	1	7	):	):	PUNCT
eurjchem-2546	1	8	near	near	ADV
eurjchem-2546	1	9	and	and	CCONJ
eurjchem-2546	1	10	vacuum	vacuum	NOUN
eurjchem-2546	1	11	uv	uv	NOUN
eurjchem-2546	1	12	polarization	polarization	NOUN
eurjchem-2546	1	13	spectroscopy	spectroscopy	VERB
eurjchem-2546	1	14	european	european	PROPN
eurjchem-2546	1	15	journal	journal	PROPN
eurjchem-2546	1	16	of	of	ADP
eurjchem-2546	1	17	chemistry	chemistry	NOUN
eurjchem-2546	1	18	15	15	NUM
eurjchem-2546	1	19	(	(	PUNCT
eurjchem-2546	1	20	2	2	NUM
eurjchem-2546	1	21	)	)	PUNCT
eurjchem-2546	1	22	(	(	PUNCT
eurjchem-2546	1	23	2024	2024	NUM
eurjchem-2546	1	24	)	)	PUNCT
eurjchem-2546	1	25	87	87	NUM
eurjchem-2546	1	26	-	-	SYM
eurjchem-2546	1	27	92	92	NUM
eurjchem-2546	1	28	european	european	ADJ
eurjchem-2546	1	29	journal	journal	NOUN
eurjchem-2546	1	30	of	of	ADP
eurjchem-2546	1	31	chemistry	chemistry	NOUN
eurjchem-2546	1	32	issn	issn	VERB
eurjchem-2546	1	33	2153	2153	NUM
eurjchem-2546	1	34	-	-	SYM
eurjchem-2546	1	35	2249	2249	NUM
eurjchem-2546	1	36	(	(	PUNCT
eurjchem-2546	1	37	print	print	NOUN
eurjchem-2546	1	38	)	)	PUNCT
eurjchem-2546	1	39	/	/	PUNCT
eurjchem-2546	1	40	issn	issn	PROPN
eurjchem-2546	1	41	2153	2153	NUM
eurjchem-2546	1	42	-	-	SYM
eurjchem-2546	1	43	2257	2257	NUM
eurjchem-2546	1	44	(	(	PUNCT
eurjchem-2546	1	45	online	online	ADJ
eurjchem-2546	1	46	)	)	PUNCT
eurjchem-2546	1	47	–	–	PUNCT
eurjchem-2546	2	1	copyright	copyright	NOUN
eurjchem-2546	2	2	©	©	PROPN
eurjchem-2546	2	3	2024	2024	NUM
eurjchem-2546	2	4	the	the	DET
eurjchem-2546	2	5	authors	author	NOUN
eurjchem-2546	2	6	–	–	PUNCT
eurjchem-2546	2	7	atlanta	atlanta	PROPN
eurjchem-2546	2	8	publishing	publishing	PROPN
eurjchem-2546	2	9	house	house	PROPN
eurjchem-2546	2	10	llc	llc	PROPN
eurjchem-2546	2	11	–	–	PUNCT
eurjchem-2546	2	12	printed	print	VERB
eurjchem-2546	2	13	in	in	ADP
eurjchem-2546	2	14	the	the	DET
eurjchem-2546	2	15	usa	usa	PROPN
eurjchem-2546	2	16	.	.	PUNCT
eurjchem-2546	3	1	this	this	DET
eurjchem-2546	3	2	work	work	NOUN
eurjchem-2546	3	3	is	be	AUX
eurjchem-2546	3	4	published	publish	VERB
eurjchem-2546	3	5	and	and	CCONJ
eurjchem-2546	3	6	licensed	license	VERB
eurjchem-2546	3	7	by	by	ADP
eurjchem-2546	3	8	atlanta	atlanta	PROPN
eurjchem-2546	3	9	publishing	publishing	PROPN
eurjchem-2546	3	10	house	house	PROPN
eurjchem-2546	3	11	llc	llc	PROPN
eurjchem-2546	3	12	–	–	PUNCT
eurjchem-2546	3	13	cc	cc	PROPN
eurjchem-2546	3	14	by	by	ADP
eurjchem-2546	3	15	nc	nc	PROPN
eurjchem-2546	3	16	–	–	PUNCT
eurjchem-2546	3	17	some	some	DET
eurjchem-2546	3	18	rights	right	NOUN
eurjchem-2546	3	19	reserved	reserve	VERB
eurjchem-2546	3	20	.	.	PUNCT
eurjchem-2546	4	1	https://dx.doi.org/10.5155/eurjchem.15.2.87-92.2546	https://dx.doi.org/10.5155/eurjchem.15.2.87-92.2546	PROPN
eurjchem-2546	4	2	european	european	PROPN
eurjchem-2546	4	3	journal	journal	PROPN
eurjchem-2546	4	4	of	of	ADP
eurjchem-2546	4	5	chemistry	chemistry	NOUN
eurjchem-2546	4	6	view	view	NOUN
eurjchem-2546	4	7	journal	journal	PROPN
eurjchem-2546	4	8	online	online	PROPN
eurjchem-2546	4	9	view	view	NOUN
eurjchem-2546	4	10	article	article	NOUN
eurjchem-2546	4	11	online	online	VERB
eurjchem-2546	4	12	excited	excited	ADJ
eurjchem-2546	4	13	states	state	NOUN
eurjchem-2546	4	14	of	of	ADP
eurjchem-2546	4	15	diphenylacetylene	diphenylacetylene	PROPN
eurjchem-2546	4	16	(	(	PUNCT
eurjchem-2546	4	17	tolan	tolan	PROPN
eurjchem-2546	4	18	):	):	PUNCT
eurjchem-2546	4	19	near	near	ADV
eurjchem-2546	4	20	and	and	CCONJ
eurjchem-2546	4	21	vacuum	vacuum	NOUN
eurjchem-2546	4	22	uv	uv	NOUN
eurjchem-2546	4	23	polarization	polarization	NOUN
eurjchem-2546	4	24	spectroscopy	spectroscopy	VERB
eurjchem-2546	4	25	duy	duy	PROPN
eurjchem-2546	4	26	duc	duc	PROPN
eurjchem-2546	4	27	nguyen	nguyen	PROPN
eurjchem-2546	4	28	1	1	NUM
eurjchem-2546	4	29	,	,	PUNCT
eurjchem-2546	4	30	#	#	X
eurjchem-2546	4	31	,	,	PUNCT
eurjchem-2546	4	32	nykola	nykola	PROPN
eurjchem-2546	4	33	c.	c.	PROPN
eurjchem-2546	4	34	jones	jones	PROPN
eurjchem-2546	4	35	2	2	NUM
eurjchem-2546	4	36	,	,	PUNCT
eurjchem-2546	4	37	søren	søren	NOUN
eurjchem-2546	4	38	vrønning	vrønne	VERB
eurjchem-2546	4	39	hoffmann	hoffmann	PROPN
eurjchem-2546	4	40	2	2	NUM
eurjchem-2546	4	41	,	,	PUNCT
eurjchem-2546	4	42	and	and	CCONJ
eurjchem-2546	4	43	jens	jens	PROPN
eurjchem-2546	4	44	spanget	spanget	PROPN
eurjchem-2546	4	45	-	-	PUNCT
eurjchem-2546	4	46	larsen	larsen	PROPN
eurjchem-2546	4	47	1	1	NUM
eurjchem-2546	4	48	,	,	PUNCT
eurjchem-2546	4	49	*	*	PROPN
eurjchem-2546	4	50	1	1	NUM
eurjchem-2546	4	51	department	department	NOUN
eurjchem-2546	4	52	of	of	ADP
eurjchem-2546	4	53	science	science	NOUN
eurjchem-2546	4	54	and	and	CCONJ
eurjchem-2546	4	55	environment	environment	NOUN
eurjchem-2546	4	56	,	,	PUNCT
eurjchem-2546	4	57	roskilde	roskilde	PROPN
eurjchem-2546	4	58	university	university	PROPN
eurjchem-2546	4	59	,	,	PUNCT
eurjchem-2546	4	60	universitetsvej	universitetsvej	ADJ
eurjchem-2546	4	61	1	1	NUM
eurjchem-2546	4	62	,	,	PUNCT
eurjchem-2546	4	63	dk-4000	dk-4000	PROPN
eurjchem-2546	4	64	roskilde	roskilde	NOUN
eurjchem-2546	4	65	,	,	PUNCT
eurjchem-2546	4	66	denmark	denmark	NOUN
eurjchem-2546	4	67	2	2	NUM
eurjchem-2546	4	68	centre	centre	NOUN
eurjchem-2546	4	69	for	for	ADP
eurjchem-2546	4	70	storage	storage	NOUN
eurjchem-2546	4	71	ring	ring	NOUN
eurjchem-2546	4	72	facilities	facility	NOUN
eurjchem-2546	4	73	(	(	PUNCT
eurjchem-2546	4	74	isa	isa	NOUN
eurjchem-2546	4	75	)	)	PUNCT
eurjchem-2546	4	76	,	,	PUNCT
eurjchem-2546	4	77	department	department	NOUN
eurjchem-2546	4	78	of	of	ADP
eurjchem-2546	4	79	physics	physics	PROPN
eurjchem-2546	4	80	and	and	CCONJ
eurjchem-2546	4	81	astronomy	astronomy	NOUN
eurjchem-2546	4	82	,	,	PUNCT
eurjchem-2546	4	83	aarhus	aarhus	PROPN
eurjchem-2546	4	84	university	university	PROPN
eurjchem-2546	4	85	,	,	PUNCT
eurjchem-2546	4	86	ny	ny	PROPN
eurjchem-2546	4	87	munkegade	munkegade	PROPN
eurjchem-2546	4	88	120	120	NUM
eurjchem-2546	4	89	,	,	PUNCT
eurjchem-2546	4	90	dk-8000	dk-8000	PROPN
eurjchem-2546	4	91	aarhus	aarhus	NOUN
eurjchem-2546	4	92	c	c	NOUN
eurjchem-2546	4	93	,	,	PUNCT
eurjchem-2546	4	94	denmark	denmark	NOUN
eurjchem-2546	4	95	*	*	PUNCT
eurjchem-2546	4	96	corresponding	correspond	VERB
eurjchem-2546	4	97	author	author	NOUN
eurjchem-2546	4	98	at	at	ADP
eurjchem-2546	4	99	:	:	PUNCT
eurjchem-2546	4	100	department	department	NOUN
eurjchem-2546	4	101	of	of	ADP
eurjchem-2546	4	102	science	science	NOUN
eurjchem-2546	4	103	and	and	CCONJ
eurjchem-2546	4	104	environment	environment	NOUN
eurjchem-2546	4	105	,	,	PUNCT
eurjchem-2546	4	106	roskilde	roskilde	PROPN
eurjchem-2546	4	107	university	university	PROPN
eurjchem-2546	4	108	,	,	PUNCT
eurjchem-2546	4	109	universitetsvej	universitetsvej	ADJ
eurjchem-2546	4	110	1	1	NUM
eurjchem-2546	4	111	,	,	PUNCT
eurjchem-2546	4	112	dk-4000	dk-4000	PROPN
eurjchem-2546	4	113	roskilde	roskilde	NOUN
eurjchem-2546	4	114	,	,	PUNCT
eurjchem-2546	4	115	denmark	denmark	NOUN
eurjchem-2546	4	116	.	.	PUNCT
eurjchem-2546	5	1	#	#	NOUN
eurjchem-2546	5	2	present	present	ADJ
eurjchem-2546	5	3	affiliation	affiliation	NOUN
eurjchem-2546	5	4	:	:	PUNCT
eurjchem-2546	5	5	duy	duy	PROPN
eurjchem-2546	5	6	duc	duc	PROPN
eurjchem-2546	5	7	nguyen	nguyen	PROPN
eurjchem-2546	5	8	,	,	PUNCT
eurjchem-2546	5	9	intertek	intertek	PROPN
eurjchem-2546	5	10	vietnam	vietnam	PROPN
eurjchem-2546	5	11	limited	limit	VERB
eurjchem-2546	5	12	,	,	PUNCT
eurjchem-2546	5	13	tan	tan	PROPN
eurjchem-2546	5	14	binh	binh	PROPN
eurjchem-2546	5	15	district	district	PROPN
eurjchem-2546	5	16	,	,	PUNCT
eurjchem-2546	5	17	ho	ho	PROPN
eurjchem-2546	5	18	chi	chi	PROPN
eurjchem-2546	5	19	minh	minh	PROPN
eurjchem-2546	5	20	city	city	PROPN
eurjchem-2546	5	21	,	,	PUNCT
eurjchem-2546	5	22	vietnam	vietnam	PROPN
eurjchem-2546	5	23	.	.	PUNCT
eurjchem-2546	6	1	e	e	X
eurjchem-2546	6	2	-	-	NOUN
eurjchem-2546	6	3	mail	mail	NOUN
eurjchem-2546	6	4	:	:	PUNCT
eurjchem-2546	6	5	spanget@ruc.dk	spanget@ruc.dk	PROPN
eurjchem-2546	6	6	(	(	PUNCT
eurjchem-2546	6	7	j.	j.	PROPN
eurjchem-2546	6	8	spanget	spanget	PROPN
eurjchem-2546	6	9	-	-	PUNCT
eurjchem-2546	6	10	larsen	larsen	PROPN
eurjchem-2546	6	11	)	)	PUNCT
eurjchem-2546	6	12	.	.	PUNCT
eurjchem-2546	7	1	10.5155	10.5155	NUM
eurjchem-2546	7	2	/	/	SYM
eurjchem-2546	7	3	eurjchem.15.2.87	eurjchem.15.2.87	CCONJ
eurjchem-2546	7	4	-	-	PUNCT
eurjchem-2546	7	5	92.2546	92.2546	NUM
eurjchem-2546	7	6	received	receive	VERB
eurjchem-2546	7	7	:	:	PUNCT
eurjchem-2546	7	8	9	9	NUM
eurjchem-2546	7	9	march	march	NOUN
eurjchem-2546	7	10	2024	2024	NUM
eurjchem-2546	7	11	received	receive	VERB
eurjchem-2546	7	12	in	in	ADP
eurjchem-2546	7	13	revised	revise	VERB
eurjchem-2546	7	14	form	form	NOUN
eurjchem-2546	7	15	:	:	PUNCT
eurjchem-2546	7	16	28	28	NUM
eurjchem-2546	7	17	march	march	NOUN
eurjchem-2546	7	18	2024	2024	NUM
eurjchem-2546	7	19	accepted	accept	VERB
eurjchem-2546	7	20	:	:	PUNCT
eurjchem-2546	7	21	4	4	NUM
eurjchem-2546	7	22	april	april	PROPN
eurjchem-2546	7	23	2024	2024	NUM
eurjchem-2546	7	24	published	publish	VERB
eurjchem-2546	7	25	online	online	ADV
eurjchem-2546	7	26	:	:	PUNCT
eurjchem-2546	7	27	30	30	NUM
eurjchem-2546	7	28	june	june	PROPN
eurjchem-2546	7	29	2024	2024	NUM
eurjchem-2546	7	30	printed	print	VERB
eurjchem-2546	7	31	:	:	PUNCT
eurjchem-2546	7	32	30	30	NUM
eurjchem-2546	7	33	june	june	PROPN
eurjchem-2546	7	34	2024	2024	NUM
eurjchem-2546	7	35	the	the	DET
eurjchem-2546	7	36	uv	uv	NOUN
eurjchem-2546	7	37	absorbance	absorbance	NOUN
eurjchem-2546	7	38	spectrum	spectrum	NOUN
eurjchem-2546	7	39	of	of	ADP
eurjchem-2546	7	40	the	the	DET
eurjchem-2546	7	41	important	important	ADJ
eurjchem-2546	7	42	chromophore	chromophore	NOUN
eurjchem-2546	7	43	diphenylacetylene	diphenylacetylene	NOUN
eurjchem-2546	7	44	(	(	PUNCT
eurjchem-2546	7	45	tolan	tolan	PROPN
eurjchem-2546	7	46	)	)	PUNCT
eurjchem-2546	7	47	is	be	AUX
eurjchem-2546	7	48	investigated	investigate	VERB
eurjchem-2546	7	49	by	by	ADP
eurjchem-2546	7	50	synchrotron	synchrotron	NOUN
eurjchem-2546	7	51	radiation	radiation	NOUN
eurjchem-2546	7	52	linear	linear	NOUN
eurjchem-2546	7	53	dichroism	dichroism	NOUN
eurjchem-2546	7	54	(	(	PUNCT
eurjchem-2546	7	55	srld	srld	NOUN
eurjchem-2546	7	56	)	)	PUNCT
eurjchem-2546	7	57	spectroscopy	spectroscopy	NOUN
eurjchem-2546	7	58	using	use	VERB
eurjchem-2546	7	59	stretched	stretch	VERB
eurjchem-2546	7	60	polyethylene	polyethylene	NOUN
eurjchem-2546	7	61	as	as	ADP
eurjchem-2546	7	62	an	an	DET
eurjchem-2546	7	63	anisotropic	anisotropic	NOUN
eurjchem-2546	7	64	solvent	solvent	NOUN
eurjchem-2546	7	65	.	.	PUNCT
eurjchem-2546	8	1	the	the	DET
eurjchem-2546	8	2	investigation	investigation	NOUN
eurjchem-2546	8	3	covers	cover	VERB
eurjchem-2546	8	4	the	the	DET
eurjchem-2546	8	5	range	range	NOUN
eurjchem-2546	8	6	of	of	ADP
eurjchem-2546	8	7	58,000	58,000	NUM
eurjchem-2546	8	8	-	-	SYM
eurjchem-2546	8	9	28,000	28,000	NUM
eurjchem-2546	8	10	cm–1	cm–1	X
eurjchem-2546	8	11	(	(	PUNCT
eurjchem-2546	8	12	172	172	NUM
eurjchem-2546	8	13	-	-	SYM
eurjchem-2546	8	14	360	360	NUM
eurjchem-2546	8	15	nm	nm	NOUN
eurjchem-2546	8	16	)	)	PUNCT
eurjchem-2546	8	17	.	.	PUNCT
eurjchem-2546	9	1	the	the	DET
eurjchem-2546	9	2	observed	observe	VERB
eurjchem-2546	9	3	linear	linear	NOUN
eurjchem-2546	9	4	dichroism	dichroism	NOUN
eurjchem-2546	9	5	provides	provide	VERB
eurjchem-2546	9	6	information	information	NOUN
eurjchem-2546	9	7	on	on	ADP
eurjchem-2546	9	8	the	the	DET
eurjchem-2546	9	9	transition	transition	NOUN
eurjchem-2546	9	10	moment	moment	NOUN
eurjchem-2546	9	11	directions	direction	NOUN
eurjchem-2546	9	12	of	of	ADP
eurjchem-2546	9	13	the	the	DET
eurjchem-2546	9	14	four	four	NUM
eurjchem-2546	9	15	main	main	ADJ
eurjchem-2546	9	16	absorbance	absorbance	NOUN
eurjchem-2546	9	17	bands	band	NOUN
eurjchem-2546	9	18	a	a	DET
eurjchem-2546	9	19	,	,	PUNCT
eurjchem-2546	9	20	b	b	PROPN
eurjchem-2546	9	21	,	,	PUNCT
eurjchem-2546	9	22	c	c	NOUN
eurjchem-2546	9	23	,	,	PUNCT
eurjchem-2546	9	24	and	and	CCONJ
eurjchem-2546	9	25	d	d	X
eurjchem-2546	9	26	at	at	ADP
eurjchem-2546	9	27	33,300	33,300	NUM
eurjchem-2546	9	28	,	,	PUNCT
eurjchem-2546	9	29	44,400	44,400	NUM
eurjchem-2546	9	30	,	,	PUNCT
eurjchem-2546	9	31	51,000	51,000	NUM
eurjchem-2546	9	32	,	,	PUNCT
eurjchem-2546	9	33	and	and	CCONJ
eurjchem-2546	9	34	57,000	57,000	NUM
eurjchem-2546	9	35	cm-1	cm-1	NOUN
eurjchem-2546	9	36	(	(	PUNCT
eurjchem-2546	9	37	300	300	NUM
eurjchem-2546	9	38	,	,	PUNCT
eurjchem-2546	9	39	225	225	NUM
eurjchem-2546	9	40	,	,	PUNCT
eurjchem-2546	9	41	196	196	NUM
eurjchem-2546	9	42	,	,	PUNCT
eurjchem-2546	9	43	and	and	CCONJ
eurjchem-2546	9	44	175	175	NUM
eurjchem-2546	9	45	nm	nm	NOUN
eurjchem-2546	9	46	)	)	PUNCT
eurjchem-2546	9	47	.	.	PUNCT
eurjchem-2546	10	1	the	the	DET
eurjchem-2546	10	2	experimental	experimental	ADJ
eurjchem-2546	10	3	wavenumbers	wavenumber	NOUN
eurjchem-2546	10	4	,	,	PUNCT
eurjchem-2546	10	5	intensities	intensity	NOUN
eurjchem-2546	10	6	,	,	PUNCT
eurjchem-2546	10	7	and	and	CCONJ
eurjchem-2546	10	8	polarization	polarization	NOUN
eurjchem-2546	10	9	directions	direction	NOUN
eurjchem-2546	10	10	are	be	AUX
eurjchem-2546	10	11	compared	compare	VERB
eurjchem-2546	10	12	with	with	ADP
eurjchem-2546	10	13	the	the	DET
eurjchem-2546	10	14	results	result	NOUN
eurjchem-2546	10	15	of	of	ADP
eurjchem-2546	10	16	quantum	quantum	ADJ
eurjchem-2546	10	17	chemical	chemical	NOUN
eurjchem-2546	10	18	calculations	calculation	NOUN
eurjchem-2546	10	19	using	use	VERB
eurjchem-2546	10	20	the	the	DET
eurjchem-2546	10	21	semiempirical	semiempirical	ADJ
eurjchem-2546	10	22	all	all	ADJ
eurjchem-2546	10	23	-	-	PUNCT
eurjchem-2546	10	24	valence	valence	NOUN
eurjchem-2546	10	25	-	-	PUNCT
eurjchem-2546	10	26	electrons	electron	NOUN
eurjchem-2546	10	27	method	method	NOUN
eurjchem-2546	10	28	linear	linear	ADJ
eurjchem-2546	10	29	combination	combination	NOUN
eurjchem-2546	10	30	of	of	ADP
eurjchem-2546	10	31	orthogonalized	orthogonalized	ADJ
eurjchem-2546	10	32	atomic	atomic	ADJ
eurjchem-2546	10	33	orbitals	orbital	NOUN
eurjchem-2546	10	34	(	(	PUNCT
eurjchem-2546	10	35	lcoao	lcoao	PROPN
eurjchem-2546	10	36	)	)	PUNCT
eurjchem-2546	10	37	and	and	CCONJ
eurjchem-2546	10	38	time	time	NOUN
eurjchem-2546	10	39	-	-	PUNCT
eurjchem-2546	10	40	dependent	dependent	ADJ
eurjchem-2546	10	41	density	density	NOUN
eurjchem-2546	10	42	functional	functional	ADJ
eurjchem-2546	10	43	theory	theory	NOUN
eurjchem-2546	10	44	(	(	PUNCT
eurjchem-2546	10	45	td	td	NOUN
eurjchem-2546	10	46	-	-	PUNCT
eurjchem-2546	10	47	dft	dft	NOUN
eurjchem-2546	10	48	)	)	PUNCT
eurjchem-2546	10	49	with	with	ADP
eurjchem-2546	10	50	the	the	DET
eurjchem-2546	10	51	functional	functional	ADJ
eurjchem-2546	10	52	cam	cam	NOUN
eurjchem-2546	10	53	-	-	PUNCT
eurjchem-2546	10	54	b3lyp	b3lyp	NOUN
eurjchem-2546	10	55	.	.	PUNCT
eurjchem-2546	11	1	magnetic	magnetic	ADJ
eurjchem-2546	11	2	circular	circular	ADJ
eurjchem-2546	11	3	dichroism	dichroism	NOUN
eurjchem-2546	11	4	(	(	PUNCT
eurjchem-2546	11	5	mcd	mcd	NOUN
eurjchem-2546	11	6	)	)	PUNCT
eurjchem-2546	11	7	b	b	X
eurjchem-2546	11	8	-	-	PUNCT
eurjchem-2546	11	9	terms	term	NOUN
eurjchem-2546	11	10	predicted	predict	VERB
eurjchem-2546	11	11	with	with	ADP
eurjchem-2546	11	12	lcoao	lcoao	PROPN
eurjchem-2546	11	13	suggest	suggest	VERB
eurjchem-2546	11	14	that	that	SCONJ
eurjchem-2546	11	15	a	a	DET
eurjchem-2546	11	16	number	number	NOUN
eurjchem-2546	11	17	of	of	ADP
eurjchem-2546	11	18	optically	optically	ADV
eurjchem-2546	11	19	weak	weak	ADJ
eurjchem-2546	11	20	transitions	transition	NOUN
eurjchem-2546	11	21	may	may	AUX
eurjchem-2546	11	22	be	be	AUX
eurjchem-2546	11	23	observed	observe	VERB
eurjchem-2546	11	24	by	by	ADP
eurjchem-2546	11	25	mcd	mcd	NOUN
eurjchem-2546	11	26	spectroscopy	spectroscopy	NOUN
eurjchem-2546	11	27	.	.	PUNCT
eurjchem-2546	12	1	mcd	mcd	PROPN
eurjchem-2546	12	2	b	b	X
eurjchem-2546	12	3	-	-	PUNCT
eurjchem-2546	12	4	terms	term	NOUN
eurjchem-2546	12	5	near	near	ADP
eurjchem-2546	12	6	and	and	CCONJ
eurjchem-2546	12	7	vacuum	vacuum	VERB
eurjchem-2546	12	8	uv	uv	NOUN
eurjchem-2546	12	9	synchrotron	synchrotron	NOUN
eurjchem-2546	12	10	radiation	radiation	NOUN
eurjchem-2546	12	11	stretched	stretch	VERB
eurjchem-2546	12	12	polyethylene	polyethylene	NOUN
eurjchem-2546	12	13	polarization	polarization	NOUN
eurjchem-2546	12	14	spectroscopy	spectroscopy	VERB
eurjchem-2546	12	15	lcoao	lcoao	NOUN
eurjchem-2546	12	16	and	and	CCONJ
eurjchem-2546	12	17	td	td	NOUN
eurjchem-2546	12	18	-	-	PUNCT
eurjchem-2546	12	19	dft	dft	NOUN
eurjchem-2546	12	20	calculations	calculation	NOUN
eurjchem-2546	12	21	cite	cite	VERB
eurjchem-2546	12	22	this	this	PRON
eurjchem-2546	12	23	:	:	PUNCT
eurjchem-2546	12	24	eur	eur	PROPN
eurjchem-2546	12	25	.	.	PUNCT
eurjchem-2546	13	1	j.	j.	PROPN
eurjchem-2546	13	2	chem	chem	PROPN
eurjchem-2546	13	3	.	.	PUNCT
eurjchem-2546	14	1	2024	2024	NUM
eurjchem-2546	14	2	,	,	PUNCT
eurjchem-2546	14	3	15(2	15(2	NUM
eurjchem-2546	14	4	)	)	PUNCT
eurjchem-2546	14	5	,	,	PUNCT
eurjchem-2546	14	6	87	87	NUM
eurjchem-2546	14	7	-	-	SYM
eurjchem-2546	14	8	92	92	NUM
eurjchem-2546	14	9	journal	journal	NOUN
eurjchem-2546	14	10	website	website	NOUN
eurjchem-2546	14	11	:	:	PUNCT
eurjchem-2546	14	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2546	14	13	1	1	X
eurjchem-2546	14	14	.	.	PUNCT
eurjchem-2546	14	15	introduction	introduction	NOUN
eurjchem-2546	14	16	diphenylacetylene	diphenylacetylene	PROPN
eurjchem-2546	14	17	(	(	PUNCT
eurjchem-2546	14	18	tolan	tolan	PROPN
eurjchem-2546	14	19	,	,	PUNCT
eurjchem-2546	14	20	dpa	dpa	PROPN
eurjchem-2546	14	21	,	,	PUNCT
eurjchem-2546	14	22	scheme	scheme	NOUN
eurjchem-2546	14	23	1	1	NUM
eurjchem-2546	14	24	)	)	PUNCT
eurjchem-2546	14	25	is	be	AUX
eurjchem-2546	14	26	a	a	DET
eurjchem-2546	14	27	prototype	prototype	NOUN
eurjchem-2546	14	28	of	of	ADP
eurjchem-2546	14	29	the	the	DET
eurjchem-2546	14	30	oligo	oligo	ADJ
eurjchem-2546	14	31	phenylene	phenylene	ADJ
eurjchem-2546	14	32	-	-	PUNCT
eurjchem-2546	14	33	ethynylene	ethynylene	NOUN
eurjchem-2546	14	34	(	(	PUNCT
eurjchem-2546	14	35	ope	ope	NOUN
eurjchem-2546	14	36	)	)	PUNCT
eurjchem-2546	14	37	systems	system	NOUN
eurjchem-2546	14	38	which	which	PRON
eurjchem-2546	14	39	are	be	AUX
eurjchem-2546	14	40	of	of	ADP
eurjchem-2546	14	41	great	great	ADJ
eurjchem-2546	14	42	interest	interest	NOUN
eurjchem-2546	14	43	in	in	ADP
eurjchem-2546	14	44	the	the	DET
eurjchem-2546	14	45	fields	field	NOUN
eurjchem-2546	14	46	of	of	ADP
eurjchem-2546	14	47	molecular	molecular	ADJ
eurjchem-2546	14	48	wires	wire	NOUN
eurjchem-2546	14	49	and	and	CCONJ
eurjchem-2546	14	50	other	other	ADJ
eurjchem-2546	14	51	molecular	molecular	NOUN
eurjchem-2546	14	52	-	-	PUNCT
eurjchem-2546	14	53	based	base	VERB
eurjchem-2546	14	54	electronic	electronic	ADJ
eurjchem-2546	14	55	devices	device	NOUN
eurjchem-2546	14	56	[	[	X
eurjchem-2546	14	57	1	1	NUM
eurjchem-2546	14	58	-	-	SYM
eurjchem-2546	14	59	4	4	NUM
eurjchem-2546	14	60	]	]	PUNCT
eurjchem-2546	14	61	.	.	PUNCT
eurjchem-2546	15	1	the	the	DET
eurjchem-2546	15	2	photophysical	photophysical	ADJ
eurjchem-2546	15	3	,	,	PUNCT
eurjchem-2546	15	4	photochemical	photochemical	ADJ
eurjchem-2546	15	5	,	,	PUNCT
eurjchem-2546	15	6	and	and	CCONJ
eurjchem-2546	15	7	spectroscopic	spectroscopic	ADJ
eurjchem-2546	15	8	properties	property	NOUN
eurjchem-2546	15	9	of	of	ADP
eurjchem-2546	15	10	dpa	dpa	PROPN
eurjchem-2546	15	11	have	have	AUX
eurjchem-2546	15	12	been	be	AUX
eurjchem-2546	15	13	studied	study	VERB
eurjchem-2546	15	14	for	for	ADP
eurjchem-2546	15	15	decades	decade	NOUN
eurjchem-2546	15	16	;	;	PUNCT
eurjchem-2546	15	17	for	for	ADP
eurjchem-2546	15	18	entries	entry	NOUN
eurjchem-2546	15	19	in	in	ADP
eurjchem-2546	15	20	the	the	DET
eurjchem-2546	15	21	literature	literature	NOUN
eurjchem-2546	15	22	,	,	PUNCT
eurjchem-2546	15	23	see	see	VERB
eurjchem-2546	15	24	references	reference	NOUN
eurjchem-2546	15	25	[	[	X
eurjchem-2546	15	26	5	5	NUM
eurjchem-2546	15	27	-	-	SYM
eurjchem-2546	15	28	14	14	NUM
eurjchem-2546	15	29	]	]	PUNCT
eurjchem-2546	15	30	.	.	PUNCT
eurjchem-2546	16	1	we	we	PRON
eurjchem-2546	16	2	have	have	AUX
eurjchem-2546	16	3	previously	previously	ADV
eurjchem-2546	16	4	studied	study	VERB
eurjchem-2546	16	5	the	the	DET
eurjchem-2546	16	6	excited	excited	ADJ
eurjchem-2546	16	7	electronic	electronic	ADJ
eurjchem-2546	16	8	states	state	NOUN
eurjchem-2546	16	9	of	of	ADP
eurjchem-2546	16	10	the	the	DET
eurjchem-2546	16	11	related	relate	VERB
eurjchem-2546	16	12	compounds	compound	NOUN
eurjchem-2546	16	13	diphenyldiacetylene	diphenyldiacetylene	VERB
eurjchem-2546	16	14	(	(	PUNCT
eurjchem-2546	16	15	dpda	dpda	NOUN
eurjchem-2546	16	16	)	)	PUNCT
eurjchem-2546	17	1	[	[	X
eurjchem-2546	17	2	15	15	NUM
eurjchem-2546	17	3	]	]	PUNCT
eurjchem-2546	17	4	and	and	CCONJ
eurjchem-2546	17	5	1,4	1,4	NUM
eurjchem-2546	17	6	-	-	PUNCT
eurjchem-2546	17	7	bis(phenylethynyl)benzene	bis(phenylethynyl)benzene	NUM
eurjchem-2546	17	8	(	(	PUNCT
eurjchem-2546	17	9	bpeb	bpeb	NOUN
eurjchem-2546	17	10	)	)	PUNCT
eurjchem-2546	18	1	[	[	X
eurjchem-2546	18	2	16	16	NUM
eurjchem-2546	18	3	]	]	X
eurjchem-2546	18	4	(	(	PUNCT
eurjchem-2546	18	5	scheme	scheme	NOUN
eurjchem-2546	18	6	1	1	NUM
eurjchem-2546	18	7	)	)	PUNCT
eurjchem-2546	18	8	.	.	PUNCT
eurjchem-2546	19	1	in	in	ADP
eurjchem-2546	19	2	the	the	DET
eurjchem-2546	19	3	present	present	ADJ
eurjchem-2546	19	4	publication	publication	NOUN
eurjchem-2546	19	5	,	,	PUNCT
eurjchem-2546	19	6	we	we	PRON
eurjchem-2546	19	7	report	report	VERB
eurjchem-2546	19	8	the	the	DET
eurjchem-2546	19	9	results	result	NOUN
eurjchem-2546	19	10	of	of	ADP
eurjchem-2546	19	11	a	a	DET
eurjchem-2546	19	12	similar	similar	ADJ
eurjchem-2546	19	13	study	study	NOUN
eurjchem-2546	19	14	of	of	ADP
eurjchem-2546	19	15	dpa	dpa	PROPN
eurjchem-2546	19	16	,	,	PUNCT
eurjchem-2546	19	17	investigating	investigate	VERB
eurjchem-2546	19	18	the	the	DET
eurjchem-2546	19	19	ground	ground	NOUN
eurjchem-2546	19	20	state	state	NOUN
eurjchem-2546	19	21	absorbance	absorbance	NOUN
eurjchem-2546	19	22	spectrum	spectrum	VERB
eurjchem-2546	19	23	by	by	ADP
eurjchem-2546	19	24	uv	uv	NOUN
eurjchem-2546	19	25	synchrotron	synchrotron	NOUN
eurjchem-2546	19	26	radiation	radiation	NOUN
eurjchem-2546	19	27	linear	linear	NOUN
eurjchem-2546	19	28	dichroism	dichroism	NOUN
eurjchem-2546	19	29	(	(	PUNCT
eurjchem-2546	19	30	srld	srld	NOUN
eurjchem-2546	19	31	)	)	PUNCT
eurjchem-2546	19	32	spectroscopy	spectroscopy	NOUN
eurjchem-2546	19	33	on	on	ADP
eurjchem-2546	19	34	molecular	molecular	ADJ
eurjchem-2546	19	35	samples	sample	NOUN
eurjchem-2546	19	36	partially	partially	ADV
eurjchem-2546	19	37	aligned	align	VERB
eurjchem-2546	19	38	in	in	ADP
eurjchem-2546	19	39	stretched	stretch	VERB
eurjchem-2546	19	40	polyethylene	polyethylene	NOUN
eurjchem-2546	19	41	(	(	PUNCT
eurjchem-2546	19	42	pe	pe	INTJ
eurjchem-2546	19	43	)	)	PUNCT
eurjchem-2546	19	44	.	.	PUNCT
eurjchem-2546	20	1	the	the	DET
eurjchem-2546	20	2	measured	measure	VERB
eurjchem-2546	20	3	ld	ld	PROPN
eurjchem-2546	20	4	provides	provide	VERB
eurjchem-2546	20	5	information	information	NOUN
eurjchem-2546	20	6	on	on	ADP
eurjchem-2546	20	7	the	the	DET
eurjchem-2546	20	8	polarization	polarization	NOUN
eurjchem-2546	20	9	directions	direction	NOUN
eurjchem-2546	20	10	of	of	ADP
eurjchem-2546	20	11	the	the	DET
eurjchem-2546	20	12	observed	observe	VERB
eurjchem-2546	20	13	transitions	transition	NOUN
eurjchem-2546	20	14	[	[	X
eurjchem-2546	20	15	17	17	NUM
eurjchem-2546	20	16	-	-	SYM
eurjchem-2546	20	17	22	22	NUM
eurjchem-2546	20	18	]	]	PUNCT
eurjchem-2546	20	19	,	,	PUNCT
eurjchem-2546	20	20	and	and	CCONJ
eurjchem-2546	20	21	with	with	ADP
eurjchem-2546	20	22	synchrotron	synchrotron	NOUN
eurjchem-2546	20	23	radiation	radiation	NOUN
eurjchem-2546	20	24	[	[	X
eurjchem-2546	20	25	23,24	23,24	ADP
eurjchem-2546	20	26	]	]	X
eurjchem-2546	20	27	the	the	DET
eurjchem-2546	20	28	investigated	investigate	VERB
eurjchem-2546	20	29	spectral	spectral	ADJ
eurjchem-2546	20	30	range	range	NOUN
eurjchem-2546	20	31	can	can	AUX
eurjchem-2546	20	32	be	be	AUX
eurjchem-2546	20	33	extended	extend	VERB
eurjchem-2546	20	34	to	to	ADP
eurjchem-2546	20	35	about	about	ADV
eurjchem-2546	20	36	58,000	58,000	NUM
eurjchem-2546	20	37	cm-1	cm-1	NOUN
eurjchem-2546	20	38	(	(	PUNCT
eurjchem-2546	20	39	172	172	NUM
eurjchem-2546	20	40	nm	nm	NOUN
eurjchem-2546	20	41	)	)	PUNCT
eurjchem-2546	20	42	.	.	PUNCT
eurjchem-2546	21	1	the	the	DET
eurjchem-2546	21	2	observed	observed	ADJ
eurjchem-2546	21	3	energies	energy	NOUN
eurjchem-2546	21	4	,	,	PUNCT
eurjchem-2546	21	5	intensities	intensity	NOUN
eurjchem-2546	21	6	,	,	PUNCT
eurjchem-2546	21	7	and	and	CCONJ
eurjchem-2546	21	8	polarizations	polarization	NOUN
eurjchem-2546	21	9	are	be	AUX
eurjchem-2546	21	10	compared	compare	VERB
eurjchem-2546	21	11	with	with	ADP
eurjchem-2546	21	12	the	the	DET
eurjchem-2546	21	13	results	result	NOUN
eurjchem-2546	21	14	of	of	ADP
eurjchem-2546	21	15	theoretical	theoretical	ADJ
eurjchem-2546	21	16	calculations	calculation	NOUN
eurjchem-2546	21	17	using	use	VERB
eurjchem-2546	21	18	the	the	DET
eurjchem-2546	21	19	linear	linear	ADJ
eurjchem-2546	21	20	combination	combination	NOUN
eurjchem-2546	21	21	of	of	ADP
eurjchem-2546	21	22	orthogonalized	orthogonalized	ADJ
eurjchem-2546	21	23	atomic	atomic	ADJ
eurjchem-2546	21	24	orbitals	orbital	NOUN
eurjchem-2546	21	25	(	(	PUNCT
eurjchem-2546	21	26	lcoao	lcoao	NOUN
eurjchem-2546	21	27	)	)	PUNCT
eurjchem-2546	21	28	model	model	NOUN
eurjchem-2546	21	29	[	[	X
eurjchem-2546	21	30	25,26	25,26	X
eurjchem-2546	21	31	]	]	X
eurjchem-2546	21	32	and	and	CCONJ
eurjchem-2546	21	33	time	time	NOUN
eurjchem-2546	21	34	-	-	PUNCT
eurjchem-2546	21	35	dependent	dependent	ADJ
eurjchem-2546	21	36	density	density	NOUN
eurjchem-2546	21	37	functional	functional	ADJ
eurjchem-2546	21	38	theory	theory	NOUN
eurjchem-2546	21	39	(	(	PUNCT
eurjchem-2546	21	40	td	td	NOUN
eurjchem-2546	21	41	-	-	PUNCT
eurjchem-2546	21	42	dft	dft	NOUN
eurjchem-2546	21	43	)	)	PUNCT
eurjchem-2546	22	1	[	[	X
eurjchem-2546	22	2	27	27	NUM
eurjchem-2546	22	3	-	-	SYM
eurjchem-2546	22	4	29	29	NUM
eurjchem-2546	22	5	]	]	PUNCT
eurjchem-2546	22	6	with	with	ADP
eurjchem-2546	22	7	the	the	DET
eurjchem-2546	22	8	functional	functional	ADJ
eurjchem-2546	22	9	camb3lyp	camb3lyp	NOUN
eurjchem-2546	22	10	[	[	X
eurjchem-2546	22	11	30	30	NUM
eurjchem-2546	22	12	]	]	PUNCT
eurjchem-2546	22	13	.	.	PUNCT
eurjchem-2546	23	1	the	the	DET
eurjchem-2546	23	2	semiempirical	semiempirical	ADJ
eurjchem-2546	23	3	all	all	ADJ
eurjchem-2546	23	4	-	-	PUNCT
eurjchem-2546	23	5	valence	valence	NOUN
eurjchem-2546	23	6	-	-	PUNCT
eurjchem-2546	23	7	electrons	electron	NOUN
eurjchem-2546	23	8	lcoao	lcoao	NOUN
eurjchem-2546	23	9	procedure	procedure	NOUN
eurjchem-2546	23	10	was	be	AUX
eurjchem-2546	23	11	specifically	specifically	ADV
eurjchem-2546	23	12	developed	develop	VERB
eurjchem-2546	23	13	for	for	ADP
eurjchem-2546	23	14	the	the	DET
eurjchem-2546	23	15	prediction	prediction	NOUN
eurjchem-2546	23	16	of	of	ADP
eurjchem-2546	23	17	the	the	DET
eurjchem-2546	23	18	electronic	electronic	ADJ
eurjchem-2546	23	19	absorption	absorption	NOUN
eurjchem-2546	23	20	and	and	CCONJ
eurjchem-2546	23	21	magnetic	magnetic	ADJ
eurjchem-2546	23	22	circular	circular	ADJ
eurjchem-2546	23	23	dichroism	dichroism	NOUN
eurjchem-2546	23	24	(	(	PUNCT
eurjchem-2546	23	25	mcd	mcd	NOUN
eurjchem-2546	23	26	)	)	PUNCT
eurjchem-2546	23	27	spectra	spectra	NOUN
eurjchem-2546	24	1	[	[	X
eurjchem-2546	24	2	31	31	NUM
eurjchem-2546	24	3	]	]	PUNCT
eurjchem-2546	24	4	of	of	ADP
eurjchem-2546	24	5	conjugated	conjugated	ADJ
eurjchem-2546	24	6	hydrocarbons	hydrocarbon	NOUN
eurjchem-2546	24	7	[	[	X
eurjchem-2546	24	8	25,26	25,26	X
eurjchem-2546	24	9	]	]	PUNCT
eurjchem-2546	24	10	and	and	CCONJ
eurjchem-2546	24	11	has	have	AUX
eurjchem-2546	24	12	been	be	AUX
eurjchem-2546	24	13	applied	apply	VERB
eurjchem-2546	24	14	to	to	ADP
eurjchem-2546	24	15	several	several	ADJ
eurjchem-2546	24	16	π	π	NOUN
eurjchem-2546	24	17	-	-	NOUN
eurjchem-2546	24	18	systems	system	NOUN
eurjchem-2546	24	19	with	with	ADP
eurjchem-2546	24	20	triple	triple	ADJ
eurjchem-2546	24	21	-	-	PUNCT
eurjchem-2546	24	22	bonded	bond	VERB
eurjchem-2546	24	23	linkages	linkage	NOUN
eurjchem-2546	24	24	[	[	X
eurjchem-2546	24	25	16	16	NUM
eurjchem-2546	24	26	,	,	PUNCT
eurjchem-2546	24	27	26,32,33	26,32,33	NUM
eurjchem-2546	24	28	]	]	PUNCT
eurjchem-2546	24	29	.	.	PUNCT
eurjchem-2546	25	1	additional	additional	ADJ
eurjchem-2546	25	2	data	datum	NOUN
eurjchem-2546	25	3	provided	provide	VERB
eurjchem-2546	25	4	as	as	ADP
eurjchem-2546	25	5	electronic	electronic	ADJ
eurjchem-2546	25	6	supplementary	supplementary	ADJ
eurjchem-2546	25	7	information	information	NOUN
eurjchem-2546	25	8	(	(	PUNCT
eurjchem-2546	25	9	esi	esi	NOUN
eurjchem-2546	25	10	)	)	PUNCT
eurjchem-2546	25	11	is	be	AUX
eurjchem-2546	25	12	referred	refer	VERB
eurjchem-2546	25	13	to	to	ADP
eurjchem-2546	25	14	in	in	ADP
eurjchem-2546	25	15	the	the	DET
eurjchem-2546	25	16	ensuing	ensue	VERB
eurjchem-2546	25	17	text	text	NOUN
eurjchem-2546	25	18	as	as	ADP
eurjchem-2546	25	19	sup	sup	NOUN
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eurjchem-2546	29	29	-	-	SYM
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eurjchem-2546	30	12	2	2	NUM
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eurjchem-2546	30	20	.	.	PUNCT
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eurjchem-2546	31	13	�	�	PROPN
eurjchem-2546	31	14	b	b	PROPN
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eurjchem-2546	31	32	–	–	PUNCT
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eurjchem-2546	33	45	g	g	ADP
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eurjchem-2546	42	4	estimated	estimate	VERB
eurjchem-2546	42	5	from	from	ADP
eurjchem-2546	42	6	the	the	DET
eurjchem-2546	42	7	partial	partial	ADJ
eurjchem-2546	42	8	absorbance	absorbance	NOUN
eurjchem-2546	42	9	curves	curve	NOUN
eurjchem-2546	42	10	in	in	ADP
eurjchem-2546	42	11	figure	figure	NOUN
eurjchem-2546	42	12	1c	1c	NOUN
eurjchem-2546	42	13	.	.	PUNCT
eurjchem-2546	43	1	d	d	NOUN
eurjchem-2546	43	2	polarization	polarization	NOUN
eurjchem-2546	43	3	direction	direction	NOUN
eurjchem-2546	43	4	.	.	PUNCT
eurjchem-2546	44	1	e	e	NOUN
eurjchem-2546	44	2	oscillator	oscillator	NOUN
eurjchem-2546	44	3	strength	strength	NOUN
eurjchem-2546	44	4	.	.	PUNCT
eurjchem-2546	45	1	f	f	PROPN
eurjchem-2546	45	2	mcd	mcd	PROPN
eurjchem-2546	45	3	b	b	X
eurjchem-2546	45	4	-	-	PUNCT
eurjchem-2546	45	5	term	term	NOUN
eurjchem-2546	45	6	in	in	ADP
eurjchem-2546	45	7	10–3	10–3	PROPN
eurjchem-2546	45	8	βe	βe	PROPN
eurjchem-2546	45	9	d2	d2	PROPN
eurjchem-2546	45	10	/	/	SYM
eurjchem-2546	45	11	cm–1	cm–1	PROPN
eurjchem-2546	45	12	(	(	PUNCT
eurjchem-2546	45	13	βe	βe	PROPN
eurjchem-2546	45	14	=	=	NOUN
eurjchem-2546	45	15	bohr	bohr	PROPN
eurjchem-2546	45	16	magneton	magneton	PROPN
eurjchem-2546	45	17	,	,	PUNCT
eurjchem-2546	45	18	d	d	X
eurjchem-2546	45	19	=	=	PUNCT
eurjchem-2546	45	20	debye	debye	ADJ
eurjchem-2546	45	21	)	)	PUNCT
eurjchem-2546	45	22	.	.	PUNCT
eurjchem-2546	46	1	g	g	PROPN
eurjchem-2546	46	2	π	π	PROPN
eurjchem-2546	46	3	-	-	PUNCT
eurjchem-2546	46	4	π	π	PROPN
eurjchem-2546	46	5	*	*	NOUN
eurjchem-2546	46	6	configurations	configuration	NOUN
eurjchem-2546	46	7	,	,	PUNCT
eurjchem-2546	46	8	orbital	orbital	ADJ
eurjchem-2546	46	9	energies	energy	NOUN
eurjchem-2546	46	10	and	and	CCONJ
eurjchem-2546	46	11	diagrams	diagram	NOUN
eurjchem-2546	46	12	in	in	ADP
eurjchem-2546	46	13	figure	figure	NOUN
eurjchem-2546	46	14	3	3	NUM
eurjchem-2546	46	15	.	.	PUNCT
eurjchem-2546	46	16	h	h	NOUN
eurjchem-2546	46	17	onset	onset	NOUN
eurjchem-2546	46	18	.	.	PUNCT
eurjchem-2546	47	1	figure	figure	NOUN
eurjchem-2546	47	2	1	1	NUM
eurjchem-2546	47	3	.	.	PUNCT
eurjchem-2546	48	1	(	(	PUNCT
eurjchem-2546	48	2	a	a	X
eurjchem-2546	48	3	)	)	PUNCT
eurjchem-2546	48	4	absorbance	absorbance	NOUN
eurjchem-2546	48	5	curves	curve	NOUN
eurjchem-2546	48	6	measured	measure	VERB
eurjchem-2546	48	7	with	with	ADP
eurjchem-2546	48	8	polarized	polarize	VERB
eurjchem-2546	48	9	light	light	NOUN
eurjchem-2546	48	10	for	for	ADP
eurjchem-2546	48	11	diphenylacetylene	diphenylacetylene	NOUN
eurjchem-2546	48	12	(	(	PUNCT
eurjchem-2546	48	13	dpa	dpa	PROPN
eurjchem-2546	48	14	)	)	PUNCT
eurjchem-2546	48	15	in	in	ADP
eurjchem-2546	48	16	stretched	stretch	VERB
eurjchem-2546	48	17	polyethylene	polyethylene	NOUN
eurjchem-2546	48	18	.	.	PUNCT
eurjchem-2546	49	1	𝐸𝐸𝑈𝑈	𝐸𝐸𝑈𝑈	PROPN
eurjchem-2546	49	2	and	and	CCONJ
eurjchem-2546	49	3	𝐸𝐸𝑉𝑉	𝐸𝐸𝑉𝑉	PROPN
eurjchem-2546	49	4	indicate	indicate	VERB
eurjchem-2546	49	5	the	the	DET
eurjchem-2546	49	6	absorbance	absorbance	NOUN
eurjchem-2546	49	7	measured	measure	VERB
eurjchem-2546	49	8	with	with	ADP
eurjchem-2546	49	9	the	the	DET
eurjchem-2546	49	10	stretching	stretch	VERB
eurjchem-2546	49	11	direction	direction	NOUN
eurjchem-2546	49	12	𝑈𝑈	𝑈𝑈	PROPN
eurjchem-2546	49	13	parallel	parallel	ADJ
eurjchem-2546	49	14	and	and	CCONJ
eurjchem-2546	49	15	perpendicular	perpendicular	ADJ
eurjchem-2546	49	16	to	to	ADP
eurjchem-2546	49	17	the	the	DET
eurjchem-2546	49	18	electric	electric	ADJ
eurjchem-2546	49	19	vector	vector	NOUN
eurjchem-2546	49	20	of	of	ADP
eurjchem-2546	49	21	the	the	DET
eurjchem-2546	49	22	radiation	radiation	NOUN
eurjchem-2546	49	23	.	.	PUNCT
eurjchem-2546	50	1	(	(	PUNCT
eurjchem-2546	50	2	b	b	X
eurjchem-2546	50	3	)	)	PUNCT
eurjchem-2546	50	4	family	family	NOUN
eurjchem-2546	50	5	of	of	ADP
eurjchem-2546	50	6	reduced	reduce	VERB
eurjchem-2546	50	7	absorbance	absorbance	NOUN
eurjchem-2546	50	8	curves	curve	NOUN
eurjchem-2546	50	9	𝑟𝑟𝐾𝐾	𝑟𝑟𝐾𝐾	NUM
eurjchem-2546	50	10	according	accord	VERB
eurjchem-2546	50	11	to	to	ADP
eurjchem-2546	50	12	equation	equation	NOUN
eurjchem-2546	50	13	1	1	NUM
eurjchem-2546	50	14	with	with	ADP
eurjchem-2546	50	15	𝐾𝐾	𝐾𝐾	NOUN
eurjchem-2546	50	16	varying	vary	VERB
eurjchem-2546	50	17	from	from	ADP
eurjchem-2546	50	18	0	0	NUM
eurjchem-2546	50	19	to	to	ADP
eurjchem-2546	50	20	1	1	NUM
eurjchem-2546	50	21	in	in	ADP
eurjchem-2546	50	22	steps	step	NOUN
eurjchem-2546	50	23	of	of	ADP
eurjchem-2546	50	24	0.1	0.1	NUM
eurjchem-2546	50	25	.	.	PUNCT
eurjchem-2546	51	1	(	(	PUNCT
eurjchem-2546	51	2	c	c	X
eurjchem-2546	51	3	)	)	PUNCT
eurjchem-2546	51	4	partial	partial	ADJ
eurjchem-2546	51	5	absorbance	absorbance	NOUN
eurjchem-2546	51	6	curves	curve	NOUN
eurjchem-2546	51	7	𝐴𝐴𝑦𝑦	𝐴𝐴𝑦𝑦	PROPN
eurjchem-2546	51	8	and	and	CCONJ
eurjchem-2546	51	9	𝐴𝐴𝑧𝑧	𝐴𝐴𝑧𝑧	PROPN
eurjchem-2546	51	10	as	as	SCONJ
eurjchem-2546	51	11	defined	define	VERB
eurjchem-2546	51	12	in	in	ADP
eurjchem-2546	51	13	equations	equation	NOUN
eurjchem-2546	51	14	2	2	NUM
eurjchem-2546	51	15	and	and	CCONJ
eurjchem-2546	51	16	3	3	NUM
eurjchem-2546	51	17	,	,	PUNCT
eurjchem-2546	51	18	indicating	indicate	VERB
eurjchem-2546	51	19	yand	yand	PROPN
eurjchem-2546	51	20	z	z	PROPN
eurjchem-2546	51	21	-	-	PUNCT
eurjchem-2546	51	22	polarized	polarize	VERB
eurjchem-2546	51	23	absorbance	absorbance	NOUN
eurjchem-2546	51	24	.	.	PUNCT
eurjchem-2546	52	1	2	2	X
eurjchem-2546	52	2	.	.	X
eurjchem-2546	52	3	experimental	experimental	ADJ
eurjchem-2546	52	4	dpa	dpa	PROPN
eurjchem-2546	53	1	[	[	X
eurjchem-2546	53	2	cas	cas	X
eurjchem-2546	53	3	501	501	NUM
eurjchem-2546	53	4	-	-	SYM
eurjchem-2546	53	5	65	65	NUM
eurjchem-2546	53	6	-	-	SYM
eurjchem-2546	53	7	5	5	NUM
eurjchem-2546	53	8	]	]	PUNCT
eurjchem-2546	53	9	(	(	PUNCT
eurjchem-2546	53	10	98	98	NUM
eurjchem-2546	53	11	%	%	NOUN
eurjchem-2546	53	12	)	)	PUNCT
eurjchem-2546	53	13	was	be	AUX
eurjchem-2546	53	14	purchased	purchase	VERB
eurjchem-2546	53	15	from	from	ADP
eurjchem-2546	53	16	sigmaaldrich	sigmaaldrich	ADV
eurjchem-2546	53	17	.	.	PUNCT
eurjchem-2546	54	1	the	the	DET
eurjchem-2546	54	2	spectroscopic	spectroscopic	ADJ
eurjchem-2546	54	3	purity	purity	NOUN
eurjchem-2546	54	4	of	of	ADP
eurjchem-2546	54	5	the	the	DET
eurjchem-2546	54	6	substance	substance	NOUN
eurjchem-2546	54	7	was	be	AUX
eurjchem-2546	54	8	checked	check	VERB
eurjchem-2546	54	9	by	by	ADP
eurjchem-2546	54	10	comparison	comparison	NOUN
eurjchem-2546	54	11	with	with	ADP
eurjchem-2546	54	12	the	the	DET
eurjchem-2546	54	13	reference	reference	NOUN
eurjchem-2546	54	14	spectra	spectra	NOUN
eurjchem-2546	54	15	available	available	ADJ
eurjchem-2546	54	16	online	online	ADV
eurjchem-2546	55	1	[	[	X
eurjchem-2546	55	2	34	34	NUM
eurjchem-2546	55	3	]	]	SYM
eurjchem-2546	55	4	.	.	PUNCT
eurjchem-2546	56	1	low	low	ADJ
eurjchem-2546	56	2	-	-	PUNCT
eurjchem-2546	56	3	density	density	NOUN
eurjchem-2546	56	4	polyethylene	polyethylene	NOUN
eurjchem-2546	56	5	(	(	PUNCT
eurjchem-2546	56	6	pe	pe	INTJ
eurjchem-2546	56	7	)	)	PUNCT
eurjchem-2546	56	8	was	be	AUX
eurjchem-2546	56	9	obtained	obtain	VERB
eurjchem-2546	56	10	from	from	ADP
eurjchem-2546	56	11	hinnum	hinnum	ADJ
eurjchem-2546	56	12	plast	plast	PROPN
eurjchem-2546	56	13	,	,	PUNCT
eurjchem-2546	56	14	denmark	denmark	PROPN
eurjchem-2546	56	15	,	,	PUNCT
eurjchem-2546	56	16	as	as	ADP
eurjchem-2546	56	17	a	a	DET
eurjchem-2546	56	18	pure	pure	ADJ
eurjchem-2546	56	19	100	100	NUM
eurjchem-2546	56	20	μm	μm	NUM
eurjchem-2546	56	21	sheet	sheet	NOUN
eurjchem-2546	56	22	material	material	NOUN
eurjchem-2546	56	23	.	.	PUNCT
eurjchem-2546	57	1	dpa	dpa	PROPN
eurjchem-2546	57	2	was	be	AUX
eurjchem-2546	57	3	introduced	introduce	VERB
eurjchem-2546	57	4	into	into	ADP
eurjchem-2546	57	5	the	the	DET
eurjchem-2546	57	6	pe	pe	PROPN
eurjchem-2546	57	7	sample	sample	NOUN
eurjchem-2546	57	8	by	by	ADP
eurjchem-2546	57	9	submersion	submersion	NOUN
eurjchem-2546	57	10	of	of	ADP
eurjchem-2546	57	11	a	a	DET
eurjchem-2546	57	12	piece	piece	NOUN
eurjchem-2546	57	13	of	of	ADP
eurjchem-2546	57	14	the	the	DET
eurjchem-2546	57	15	polymer	polymer	NOUN
eurjchem-2546	57	16	sheet	sheet	NOUN
eurjchem-2546	57	17	into	into	ADP
eurjchem-2546	57	18	a	a	DET
eurjchem-2546	57	19	saturated	saturate	VERB
eurjchem-2546	57	20	solution	solution	NOUN
eurjchem-2546	57	21	of	of	ADP
eurjchem-2546	57	22	the	the	DET
eurjchem-2546	57	23	compound	compound	NOUN
eurjchem-2546	57	24	in	in	ADP
eurjchem-2546	57	25	chloroform	chloroform	NOUN
eurjchem-2546	57	26	(	(	PUNCT
eurjchem-2546	57	27	merck	merck	NOUN
eurjchem-2546	57	28	uvasol	uvasol	NOUN
eurjchem-2546	57	29	)	)	PUNCT
eurjchem-2546	57	30	at	at	ADP
eurjchem-2546	57	31	room	room	NOUN
eurjchem-2546	57	32	temperature	temperature	NOUN
eurjchem-2546	57	33	for	for	ADP
eurjchem-2546	57	34	several	several	ADJ
eurjchem-2546	57	35	days	day	NOUN
eurjchem-2546	57	36	.	.	PUNCT
eurjchem-2546	58	1	subsequently	subsequently	ADV
eurjchem-2546	58	2	,	,	PUNCT
eurjchem-2546	58	3	the	the	DET
eurjchem-2546	58	4	chloroform	chloroform	NOUN
eurjchem-2546	58	5	was	be	AUX
eurjchem-2546	58	6	allowed	allow	VERB
eurjchem-2546	58	7	to	to	PART
eurjchem-2546	58	8	evaporate	evaporate	VERB
eurjchem-2546	58	9	,	,	PUNCT
eurjchem-2546	58	10	and	and	CCONJ
eurjchem-2546	58	11	the	the	DET
eurjchem-2546	58	12	crystalline	crystalline	NOUN
eurjchem-2546	58	13	deposits	deposit	NOUN
eurjchem-2546	58	14	on	on	ADP
eurjchem-2546	58	15	the	the	DET
eurjchem-2546	58	16	surface	surface	NOUN
eurjchem-2546	58	17	were	be	AUX
eurjchem-2546	58	18	removed	remove	VERB
eurjchem-2546	58	19	with	with	ADP
eurjchem-2546	58	20	methanol	methanol	NOUN
eurjchem-2546	58	21	(	(	PUNCT
eurjchem-2546	58	22	merck	merck	NOUN
eurjchem-2546	58	23	uvasol	uvasol	PROPN
eurjchem-2546	58	24	)	)	PUNCT
eurjchem-2546	58	25	.	.	PUNCT
eurjchem-2546	59	1	the	the	DET
eurjchem-2546	59	2	pe	pe	PROPN
eurjchem-2546	59	3	sample	sample	NOUN
eurjchem-2546	59	4	was	be	AUX
eurjchem-2546	59	5	finally	finally	ADV
eurjchem-2546	59	6	uniaxially	uniaxially	ADV
eurjchem-2546	59	7	stretched	stretch	VERB
eurjchem-2546	59	8	by	by	ADP
eurjchem-2546	59	9	ca	ca	NOUN
eurjchem-2546	59	10	.	.	PUNCT
eurjchem-2546	60	1	500	500	NUM
eurjchem-2546	60	2	%	%	NOUN
eurjchem-2546	60	3	.	.	PUNCT
eurjchem-2546	61	1	a	a	DET
eurjchem-2546	61	2	sample	sample	NOUN
eurjchem-2546	61	3	without	without	ADP
eurjchem-2546	61	4	solute	solute	NOUN
eurjchem-2546	61	5	was	be	AUX
eurjchem-2546	61	6	prepared	prepare	VERB
eurjchem-2546	61	7	in	in	ADP
eurjchem-2546	61	8	the	the	DET
eurjchem-2546	61	9	same	same	ADJ
eurjchem-2546	61	10	manner	manner	NOUN
eurjchem-2546	61	11	for	for	ADP
eurjchem-2546	61	12	use	use	NOUN
eurjchem-2546	61	13	as	as	ADP
eurjchem-2546	61	14	a	a	DET
eurjchem-2546	61	15	reference	reference	NOUN
eurjchem-2546	61	16	.	.	PUNCT
eurjchem-2546	62	1	more	more	ADJ
eurjchem-2546	62	2	details	detail	NOUN
eurjchem-2546	62	3	on	on	ADP
eurjchem-2546	62	4	stretched	stretch	VERB
eurjchem-2546	62	5	pe	pe	NOUN
eurjchem-2546	62	6	samples	sample	NOUN
eurjchem-2546	62	7	can	can	AUX
eurjchem-2546	62	8	be	be	AUX
eurjchem-2546	62	9	found	find	VERB
eurjchem-2546	62	10	in	in	ADP
eurjchem-2546	62	11	the	the	DET
eurjchem-2546	62	12	literature	literature	NOUN
eurjchem-2546	62	13	[	[	X
eurjchem-2546	62	14	17	17	NUM
eurjchem-2546	62	15	-	-	SYM
eurjchem-2546	62	16	22	22	NUM
eurjchem-2546	62	17	]	]	PUNCT
eurjchem-2546	62	18	.	.	PUNCT
eurjchem-2546	63	1	the	the	DET
eurjchem-2546	63	2	synchrotron	synchrotron	NOUN
eurjchem-2546	63	3	radiation	radiation	NOUN
eurjchem-2546	63	4	linear	linear	NOUN
eurjchem-2546	63	5	dichroism	dichroism	NOUN
eurjchem-2546	63	6	(	(	PUNCT
eurjchem-2546	63	7	srld	srld	NOUN
eurjchem-2546	63	8	)	)	PUNCT
eurjchem-2546	63	9	spectrum	spectrum	NOUN
eurjchem-2546	63	10	of	of	ADP
eurjchem-2546	63	11	dpa	dpa	PROPN
eurjchem-2546	63	12	was	be	AUX
eurjchem-2546	63	13	measured	measure	VERB
eurjchem-2546	63	14	at	at	ADP
eurjchem-2546	63	15	room	room	NOUN
eurjchem-2546	63	16	temperature	temperature	NOUN
eurjchem-2546	63	17	in	in	ADP
eurjchem-2546	63	18	the	the	DET
eurjchem-2546	63	19	range	range	NOUN
eurjchem-2546	63	20	58,000	58,000	NUM
eurjchem-2546	63	21	-	-	SYM
eurjchem-2546	63	22	28,000	28,000	NUM
eurjchem-2546	63	23	cm-1	cm-1	X
eurjchem-2546	63	24	(	(	PUNCT
eurjchem-2546	63	25	172	172	NUM
eurjchem-2546	63	26	-	-	SYM
eurjchem-2546	63	27	360	360	NUM
eurjchem-2546	63	28	nm	nm	NOUN
eurjchem-2546	63	29	)	)	PUNCT
eurjchem-2546	63	30	on	on	ADP
eurjchem-2546	63	31	the	the	DET
eurjchem-2546	63	32	cd1	cd1	NOUN
eurjchem-2546	63	33	beamline	beamline	NOUN
eurjchem-2546	63	34	[	[	X
eurjchem-2546	63	35	23,24	23,24	NOUN
eurjchem-2546	63	36	]	]	PUNCT
eurjchem-2546	63	37	at	at	ADP
eurjchem-2546	63	38	the	the	DET
eurjchem-2546	63	39	storage	storage	NOUN
eurjchem-2546	63	40	ring	ring	NOUN
eurjchem-2546	63	41	astrid	astrid	PROPN
eurjchem-2546	63	42	at	at	ADP
eurjchem-2546	63	43	the	the	DET
eurjchem-2546	63	44	centre	centre	NOUN
eurjchem-2546	63	45	for	for	ADP
eurjchem-2546	63	46	storage	storage	NOUN
eurjchem-2546	63	47	ring	ring	NOUN
eurjchem-2546	63	48	facilities	facility	NOUN
eurjchem-2546	63	49	(	(	PUNCT
eurjchem-2546	63	50	isa	isa	NOUN
eurjchem-2546	63	51	)	)	PUNCT
eurjchem-2546	63	52	.	.	PUNCT
eurjchem-2546	64	1	two	two	NUM
eurjchem-2546	64	2	absorbance	absorbance	NOUN
eurjchem-2546	64	3	curves	curve	NOUN
eurjchem-2546	64	4	were	be	AUX
eurjchem-2546	64	5	recorded	record	VERB
eurjchem-2546	64	6	as	as	ADP
eurjchem-2546	64	7	previously	previously	ADV
eurjchem-2546	64	8	described	describe	VERB
eurjchem-2546	64	9	[	[	X
eurjchem-2546	64	10	16	16	NUM
eurjchem-2546	64	11	]	]	PUNCT
eurjchem-2546	64	12	with	with	ADP
eurjchem-2546	64	13	the	the	DET
eurjchem-2546	64	14	electric	electric	ADJ
eurjchem-2546	64	15	vector	vector	NOUN
eurjchem-2546	64	16	of	of	ADP
eurjchem-2546	64	17	the	the	DET
eurjchem-2546	64	18	sample	sample	NOUN
eurjchem-2546	64	19	beam	beam	NOUN
eurjchem-2546	64	20	parallel	parallel	NOUN
eurjchem-2546	64	21	(	(	PUNCT
eurjchem-2546	64	22	𝑈𝑈	𝑈𝑈	PROPN
eurjchem-2546	64	23	)	)	PUNCT
eurjchem-2546	64	24	and	and	CCONJ
eurjchem-2546	64	25	perpendicular	perpendicular	ADJ
eurjchem-2546	64	26	(	(	PUNCT
eurjchem-2546	64	27	𝑉𝑉	𝑉𝑉	PROPN
eurjchem-2546	64	28	)	)	PUNCT
eurjchem-2546	64	29	to	to	ADP
eurjchem-2546	64	30	the	the	DET
eurjchem-2546	64	31	stretching	stretch	VERB
eurjchem-2546	64	32	direction	direction	NOUN
eurjchem-2546	64	33	of	of	ADP
eurjchem-2546	64	34	the	the	DET
eurjchem-2546	64	35	pe	pe	PROPN
eurjchem-2546	64	36	sample	sample	NOUN
eurjchem-2546	64	37	.	.	PUNCT
eurjchem-2546	65	1	the	the	DET
eurjchem-2546	65	2	baseline	baseline	NOUN
eurjchem-2546	65	3	-	-	PUNCT
eurjchem-2546	65	4	corrected	correct	VERB
eurjchem-2546	65	5	absorbance	absorbance	NOUN
eurjchem-2546	65	6	curves	curve	NOUN
eurjchem-2546	65	7	𝐸𝐸𝑈𝑈(𝜈𝜈	𝐸𝐸𝑈𝑈(𝜈𝜈	PROPN
eurjchem-2546	65	8	�	�	PROPN
eurjchem-2546	65	9	)	)	PUNCT
eurjchem-2546	65	10	and	and	CCONJ
eurjchem-2546	65	11	𝐸𝐸𝑉𝑉(𝜈𝜈	𝐸𝐸𝑉𝑉(𝜈𝜈	PROPN
eurjchem-2546	65	12	�	�	PROPN
eurjchem-2546	65	13	)	)	PUNCT
eurjchem-2546	65	14	are	be	AUX
eurjchem-2546	65	15	shown	show	VERB
eurjchem-2546	65	16	in	in	ADP
eurjchem-2546	65	17	figure	figure	NOUN
eurjchem-2546	65	18	1a	1a	NOUN
eurjchem-2546	65	19	.	.	PUNCT
eurjchem-2546	66	1	the	the	DET
eurjchem-2546	66	2	ld	ld	PROPN
eurjchem-2546	66	3	is	be	AUX
eurjchem-2546	66	4	defined	define	VERB
eurjchem-2546	66	5	as	as	ADP
eurjchem-2546	66	6	the	the	DET
eurjchem-2546	66	7	difference	difference	NOUN
eurjchem-2546	66	8	between	between	ADP
eurjchem-2546	66	9	the	the	DET
eurjchem-2546	66	10	two	two	NUM
eurjchem-2546	66	11	curves	curve	NOUN
eurjchem-2546	66	12	,	,	PUNCT
eurjchem-2546	66	13	ld	ld	PROPN
eurjchem-2546	66	14	=	=	PUNCT
eurjchem-2546	66	15	𝐸𝐸𝑈𝑈(𝜈𝜈	𝐸𝐸𝑈𝑈(𝜈𝜈	PROPN
eurjchem-2546	66	16	�	�	PROPN
eurjchem-2546	66	17	)	)	PUNCT
eurjchem-2546	66	18	−	−	PROPN
eurjchem-2546	66	19	𝐸𝐸𝑉𝑉(𝜈𝜈	𝐸𝐸𝑉𝑉(𝜈𝜈	NOUN
eurjchem-2546	66	20	�	�	PROPN
eurjchem-2546	66	21	)	)	PUNCT
eurjchem-2546	66	22	.	.	PUNCT
eurjchem-2546	67	1	a	a	DET
eurjchem-2546	67	2	version	version	NOUN
eurjchem-2546	67	3	of	of	ADP
eurjchem-2546	67	4	the	the	DET
eurjchem-2546	67	5	spectrum	spectrum	NOUN
eurjchem-2546	67	6	with	with	ADP
eurjchem-2546	67	7	an	an	DET
eurjchem-2546	67	8	indication	indication	NOUN
eurjchem-2546	67	9	of	of	ADP
eurjchem-2546	67	10	all	all	DET
eurjchem-2546	67	11	peak	peak	NOUN
eurjchem-2546	67	12	wavenumbers	wavenumber	NOUN
eurjchem-2546	67	13	and	and	CCONJ
eurjchem-2546	67	14	absorbance	absorbance	NOUN
eurjchem-2546	67	15	is	be	AUX
eurjchem-2546	67	16	provided	provide	VERB
eurjchem-2546	67	17	in	in	ADP
eurjchem-2546	67	18	sup	sup	NOUN
eurjchem-2546	67	19	.	.	PUNCT
eurjchem-2546	68	1	s1	s1	NOUN
eurjchem-2546	68	2	.	.	PUNCT
eurjchem-2546	69	1	2.1	2.1	NUM
eurjchem-2546	69	2	.	.	PUNCT
eurjchem-2546	70	1	theory	theory	NOUN
eurjchem-2546	70	2	/	/	SYM
eurjchem-2546	70	3	calculation	calculation	NOUN
eurjchem-2546	70	4	the	the	DET
eurjchem-2546	70	5	electronic	electronic	ADJ
eurjchem-2546	70	6	transitions	transition	NOUN
eurjchem-2546	70	7	of	of	ADP
eurjchem-2546	70	8	dpa	dpa	PROPN
eurjchem-2546	70	9	were	be	AUX
eurjchem-2546	70	10	computed	compute	VERB
eurjchem-2546	70	11	with	with	ADP
eurjchem-2546	70	12	the	the	DET
eurjchem-2546	70	13	semiempirical	semiempirical	ADJ
eurjchem-2546	70	14	all	all	ADJ
eurjchem-2546	70	15	-	-	PUNCT
eurjchem-2546	70	16	valence	valence	NOUN
eurjchem-2546	70	17	-	-	PUNCT
eurjchem-2546	70	18	electrons	electron	NOUN
eurjchem-2546	70	19	method	method	NOUN
eurjchem-2546	70	20	lcoao	lcoao	NOUN
eurjchem-2546	71	1	[	[	X
eurjchem-2546	71	2	25,26	25,26	X
eurjchem-2546	71	3	]	]	PUNCT
eurjchem-2546	71	4	and	and	CCONJ
eurjchem-2546	71	5	with	with	ADP
eurjchem-2546	71	6	td	td	NOUN
eurjchem-2546	71	7	-	-	PUNCT
eurjchem-2546	71	8	dft	dft	NOUN
eurjchem-2546	71	9	[	[	X
eurjchem-2546	71	10	27	27	NUM
eurjchem-2546	71	11	-	-	SYM
eurjchem-2546	71	12	29	29	NUM
eurjchem-2546	71	13	]	]	PUNCT
eurjchem-2546	71	14	using	use	VERB
eurjchem-2546	71	15	the	the	DET
eurjchem-2546	71	16	functional	functional	ADJ
eurjchem-2546	71	17	cam	cam	NOUN
eurjchem-2546	71	18	-	-	PUNCT
eurjchem-2546	71	19	b3lyp	b3lyp	NOUN
eurjchem-2546	72	1	[	[	X
eurjchem-2546	72	2	30	30	NUM
eurjchem-2546	72	3	]	]	PUNCT
eurjchem-2546	72	4	.	.	PUNCT
eurjchem-2546	73	1	lcoao	lcoao	NOUN
eurjchem-2546	73	2	calculation	calculation	NOUN
eurjchem-2546	73	3	was	be	AUX
eurjchem-2546	73	4	performed	perform	VERB
eurjchem-2546	73	5	with	with	ADP
eurjchem-2546	73	6	the	the	DET
eurjchem-2546	73	7	computer	computer	NOUN
eurjchem-2546	73	8	program	program	NOUN
eurjchem-2546	73	9	published	publish	VERB
eurjchem-2546	73	10	in	in	ADP
eurjchem-2546	73	11	reference	reference	NOUN
eurjchem-2546	73	12	[	[	X
eurjchem-2546	73	13	35	35	NUM
eurjchem-2546	73	14	]	]	X
eurjchem-2546	73	15	;	;	PUNCT
eurjchem-2546	73	16	a	a	DET
eurjchem-2546	73	17	complete	complete	ADJ
eurjchem-2546	73	18	lcoao	lcoao	NOUN
eurjchem-2546	73	19	bibliography	bibliography	NOUN
eurjchem-2546	73	20	is	be	AUX
eurjchem-2546	73	21	given	give	VERB
eurjchem-2546	73	22	in	in	ADP
eurjchem-2546	73	23	sup	sup	NOUN
eurjchem-2546	73	24	.	.	PUNCT
eurjchem-2546	74	1	s5	s5	PROPN
eurjchem-2546	74	2	.	.	PUNCT
eurjchem-2546	75	1	cam	cam	PROPN
eurjchem-2546	75	2	-	-	PUNCT
eurjchem-2546	75	3	b3lyp	b3lyp	NUM
eurjchem-2546	75	4	calculations	calculation	NOUN
eurjchem-2546	75	5	were	be	AUX
eurjchem-2546	75	6	carried	carry	VERB
eurjchem-2546	75	7	out	out	ADP
eurjchem-2546	75	8	with	with	ADP
eurjchem-2546	75	9	the	the	DET
eurjchem-2546	75	10	gaussian	gaussian	ADJ
eurjchem-2546	75	11	16	16	NUM
eurjchem-2546	75	12	software	software	NOUN
eurjchem-2546	75	13	package	package	NOUN
eurjchem-2546	75	14	[	[	X
eurjchem-2546	75	15	36	36	NUM
eurjchem-2546	75	16	]	]	PUNCT
eurjchem-2546	75	17	.	.	PUNCT
eurjchem-2546	76	1	the	the	DET
eurjchem-2546	76	2	lcoao	lcoao	NOUN
eurjchem-2546	76	3	calculation	calculation	NOUN
eurjchem-2546	76	4	included	include	VERB
eurjchem-2546	76	5	the	the	DET
eurjchem-2546	76	6	interaction	interaction	NOUN
eurjchem-2546	76	7	between	between	ADP
eurjchem-2546	76	8	all	all	DET
eurjchem-2546	76	9	singly	singly	ADV
eurjchem-2546	76	10	excited	excited	ADJ
eurjchem-2546	76	11	singlet	singlet	NOUN
eurjchem-2546	76	12	configurations	configuration	NOUN
eurjchem-2546	76	13	generated	generate	VERB
eurjchem-2546	76	14	by	by	ADP
eurjchem-2546	76	15	the	the	DET
eurjchem-2546	76	16	promotion	promotion	NOUN
eurjchem-2546	76	17	of	of	ADP
eurjchem-2546	76	18	an	an	DET
eurjchem-2546	76	19	electron	electron	NOUN
eurjchem-2546	76	20	from	from	ADP
eurjchem-2546	76	21	the	the	DET
eurjchem-2546	76	22	occupied	occupy	VERB
eurjchem-2546	76	23	π	π	PROPN
eurjchem-2546	76	24	to	to	ADP
eurjchem-2546	76	25	unoccupied	unoccupied	ADJ
eurjchem-2546	76	26	π	π	PROPN
eurjchem-2546	76	27	*	*	PROPN
eurjchem-2546	76	28	molecular	molecular	ADJ
eurjchem-2546	76	29	orbitals	orbital	NOUN
eurjchem-2546	76	30	(	(	PUNCT
eurjchem-2546	76	31	mos	mos	NOUN
eurjchem-2546	76	32	)	)	PUNCT
eurjchem-2546	76	33	,	,	PUNCT
eurjchem-2546	76	34	comprising	comprise	VERB
eurjchem-2546	76	35	49	49	NUM
eurjchem-2546	76	36	π	π	PROPN
eurjchem-2546	76	37	-	-	PUNCT
eurjchem-2546	76	38	π	π	PROPN
eurjchem-2546	76	39	*	*	NOUN
eurjchem-2546	76	40	configurations	configuration	NOUN
eurjchem-2546	76	41	.	.	PUNCT
eurjchem-2546	77	1	in	in	ADP
eurjchem-2546	77	2	addition	addition	NOUN
eurjchem-2546	77	3	to	to	ADP
eurjchem-2546	77	4	transition	transition	NOUN
eurjchem-2546	77	5	energies	energy	NOUN
eurjchem-2546	77	6	,	,	PUNCT
eurjchem-2546	77	7	intensities	intensity	NOUN
eurjchem-2546	77	8	,	,	PUNCT
eurjchem-2546	77	9	and	and	CCONJ
eurjchem-2546	77	10	polarization	polarization	NOUN
eurjchem-2546	77	11	directions	direction	NOUN
eurjchem-2546	77	12	,	,	PUNCT
eurjchem-2546	77	13	this	this	DET
eurjchem-2546	77	14	calculation	calculation	NOUN
eurjchem-2546	77	15	provided	provide	VERB
eurjchem-2546	77	16	predictions	prediction	NOUN
eurjchem-2546	77	17	of	of	ADP
eurjchem-2546	77	18	mcd	mcd	NOUN
eurjchem-2546	77	19	bterms	bterm	NOUN
eurjchem-2546	77	20	[	[	X
eurjchem-2546	77	21	26,31	26,31	NUM
eurjchem-2546	77	22	]	]	X
eurjchem-2546	77	23	for	for	ADP
eurjchem-2546	77	24	the	the	DET
eurjchem-2546	77	25	computed	compute	VERB
eurjchem-2546	77	26	electronic	electronic	ADJ
eurjchem-2546	77	27	transitions	transition	NOUN
eurjchem-2546	77	28	.	.	PUNCT
eurjchem-2546	78	1	the	the	DET
eurjchem-2546	78	2	input	input	NOUN
eurjchem-2546	78	3	geometry	geometry	NOUN
eurjchem-2546	78	4	for	for	ADP
eurjchem-2546	78	5	the	the	DET
eurjchem-2546	78	6	lcoao	lcoao	NOUN
eurjchem-2546	78	7	calculation	calculation	NOUN
eurjchem-2546	78	8	was	be	AUX
eurjchem-2546	78	9	taken	take	VERB
eurjchem-2546	78	10	as	as	ADP
eurjchem-2546	78	11	the	the	DET
eurjchem-2546	78	12	one	one	NOUN
eurjchem-2546	78	13	optimized	optimize	VERB
eurjchem-2546	78	14	with	with	ADP
eurjchem-2546	78	15	cam	cam	PROPN
eurjchem-2546	78	16	-	-	PUNCT
eurjchem-2546	78	17	b3lyp	b3lyp	NOUN
eurjchem-2546	78	18	and	and	CCONJ
eurjchem-2546	78	19	the	the	DET
eurjchem-2546	78	20	basis	basis	NOUN
eurjchem-2546	78	21	set	set	VERB
eurjchem-2546	78	22	aug	aug	PROPN
eurjchem-2546	78	23	-	-	PUNCT
eurjchem-2546	78	24	cc	cc	NOUN
eurjchem-2546	78	25	-	-	NOUN
eurjchem-2546	78	26	pvtz	pvtz	PROPN
eurjchem-2546	78	27	(	(	PUNCT
eurjchem-2546	78	28	see	see	VERB
eurjchem-2546	78	29	below	below	ADV
eurjchem-2546	78	30	)	)	PUNCT
eurjchem-2546	78	31	.	.	PUNCT
eurjchem-2546	79	1	the	the	DET
eurjchem-2546	79	2	main	main	ADJ
eurjchem-2546	79	3	transitions	transition	NOUN
eurjchem-2546	79	4	obtained	obtain	VERB
eurjchem-2546	79	5	with	with	ADP
eurjchem-2546	79	6	lcoao	lcoao	NOUN
eurjchem-2546	79	7	are	be	AUX
eurjchem-2546	79	8	listed	list	VERB
eurjchem-2546	79	9	in	in	ADP
eurjchem-2546	79	10	table	table	NOUN
eurjchem-2546	79	11	1	1	NUM
eurjchem-2546	79	12	and	and	CCONJ
eurjchem-2546	79	13	visualized	visualize	VERB
eurjchem-2546	79	14	in	in	ADP
eurjchem-2546	79	15	figure	figure	NOUN
eurjchem-2546	79	16	2	2	NUM
eurjchem-2546	79	17	,	,	PUNCT
eurjchem-2546	79	18	a	a	DET
eurjchem-2546	79	19	complete	complete	ADJ
eurjchem-2546	79	20	listing	listing	NOUN
eurjchem-2546	79	21	of	of	ADP
eurjchem-2546	79	22	all	all	DET
eurjchem-2546	79	23	lcoao	lcoao	NOUN
eurjchem-2546	79	24	results	result	NOUN
eurjchem-2546	79	25	is	be	AUX
eurjchem-2546	79	26	provided	provide	VERB
eurjchem-2546	79	27	as	as	ADP
eurjchem-2546	79	28	sup	sup	NOUN
eurjchem-2546	79	29	.	.	PUNCT
eurjchem-2546	79	30	s4	s4	PROPN
eurjchem-2546	79	31	.	.	PUNCT
eurjchem-2546	80	1	cam	cam	PROPN
eurjchem-2546	80	2	-	-	PUNCT
eurjchem-2546	80	3	b3lyp	b3lyp	PROPN
eurjchem-2546	80	4	and	and	CCONJ
eurjchem-2546	80	5	td	td	NOUN
eurjchem-2546	80	6	–	–	PUNCT
eurjchem-2546	80	7	cam	cam	NOUN
eurjchem-2546	80	8	-	-	PUNCT
eurjchem-2546	80	9	b3lyp	b3lyp	NOUN
eurjchem-2546	80	10	calculations	calculation	NOUN
eurjchem-2546	80	11	were	be	AUX
eurjchem-2546	80	12	carried	carry	VERB
eurjchem-2546	80	13	out	out	ADP
eurjchem-2546	80	14	with	with	ADP
eurjchem-2546	80	15	the	the	DET
eurjchem-2546	80	16	basis	basis	NOUN
eurjchem-2546	80	17	sets	set	NOUN
eurjchem-2546	80	18	aug	aug	PROPN
eurjchem-2546	80	19	-	-	PUNCT
eurjchem-2546	80	20	cc	cc	NOUN
eurjchem-2546	80	21	-	-	NOUN
eurjchem-2546	80	22	pvtz	pvtz	PROPN
eurjchem-2546	80	23	and	and	CCONJ
eurjchem-2546	80	24	cc	cc	PROPN
eurjchem-2546	80	25	-	-	PROPN
eurjchem-2546	80	26	pvtz	pvtz	PROPN
eurjchem-2546	80	27	(	(	PUNCT
eurjchem-2546	80	28	with	with	ADP
eurjchem-2546	80	29	and	and	CCONJ
eurjchem-2546	80	30	without	without	ADP
eurjchem-2546	80	31	the	the	DET
eurjchem-2546	80	32	inclusion	inclusion	NOUN
eurjchem-2546	80	33	of	of	ADP
eurjchem-2546	80	34	diffuse	diffuse	NOUN
eurjchem-2546	80	35	functions	function	NOUN
eurjchem-2546	80	36	)	)	PUNCT
eurjchem-2546	81	1	[	[	X
eurjchem-2546	81	2	37,38	37,38	NOUN
eurjchem-2546	81	3	]	]	PUNCT
eurjchem-2546	81	4	.	.	PUNCT
eurjchem-2546	82	1	the	the	DET
eurjchem-2546	82	2	isotropic	isotropic	ADJ
eurjchem-2546	82	3	nguyen	nguyen	NOUN
eurjchem-2546	82	4	et	et	PROPN
eurjchem-2546	82	5	al	al	PROPN
eurjchem-2546	82	6	.	.	PUNCT
eurjchem-2546	82	7	/	/	SYM
eurjchem-2546	82	8	european	european	PROPN
eurjchem-2546	82	9	journal	journal	PROPN
eurjchem-2546	82	10	of	of	ADP
eurjchem-2546	82	11	chemistry	chemistry	NOUN
eurjchem-2546	82	12	15	15	NUM
eurjchem-2546	82	13	(	(	PUNCT
eurjchem-2546	82	14	2	2	NUM
eurjchem-2546	82	15	)	)	PUNCT
eurjchem-2546	82	16	(	(	PUNCT
eurjchem-2546	82	17	2024	2024	NUM
eurjchem-2546	82	18	)	)	PUNCT
eurjchem-2546	82	19	87	87	NUM
eurjchem-2546	82	20	-	-	SYM
eurjchem-2546	82	21	92	92	NUM
eurjchem-2546	82	22	89	89	NUM
eurjchem-2546	82	23	2024	2024	NUM
eurjchem-2546	82	24	–	–	PUNCT
eurjchem-2546	82	25	european	european	ADJ
eurjchem-2546	82	26	journal	journal	NOUN
eurjchem-2546	82	27	of	of	ADP
eurjchem-2546	82	28	chemistry	chemistry	NOUN
eurjchem-2546	82	29	–	–	PUNCT
eurjchem-2546	82	30	cc	cc	NOUN
eurjchem-2546	82	31	by	by	ADP
eurjchem-2546	82	32	nc	nc	PROPN
eurjchem-2546	82	33	–	–	PUNCT
eurjchem-2546	82	34	doi	doi	NOUN
eurjchem-2546	82	35	:	:	PUNCT
eurjchem-2546	82	36	10.5155	10.5155	NUM
eurjchem-2546	82	37	/	/	SYM
eurjchem-2546	82	38	eurjchem.15.2.87	eurjchem.15.2.87	NOUN
eurjchem-2546	82	39	-	-	PUNCT
eurjchem-2546	82	40	92.2546	92.2546	NUM
eurjchem-2546	82	41	table	table	NOUN
eurjchem-2546	82	42	2	2	NUM
eurjchem-2546	82	43	.	.	PUNCT
eurjchem-2546	82	44	vertical	vertical	ADJ
eurjchem-2546	82	45	electronic	electronic	ADJ
eurjchem-2546	82	46	transitions	transition	NOUN
eurjchem-2546	82	47	for	for	ADP
eurjchem-2546	82	48	diphenylacetylene	diphenylacetylene	NOUN
eurjchem-2546	82	49	(	(	PUNCT
eurjchem-2546	82	50	dpa	dpa	PROPN
eurjchem-2546	82	51	)	)	PUNCT
eurjchem-2546	82	52	predicted	predict	VERB
eurjchem-2546	82	53	with	with	ADP
eurjchem-2546	82	54	td	td	NOUN
eurjchem-2546	82	55	-	-	PUNCT
eurjchem-2546	82	56	cam	cam	NOUN
eurjchem-2546	82	57	-	-	PUNCT
eurjchem-2546	82	58	b3lyp	b3lyp	NOUN
eurjchem-2546	82	59	/	/	SYM
eurjchem-2546	82	60	aug	aug	PROPN
eurjchem-2546	82	61	-	-	PUNCT
eurjchem-2546	82	62	cc	cc	NOUN
eurjchem-2546	82	63	-	-	NOUN
eurjchem-2546	82	64	pvtz	pvtz	NOUN
eurjchem-2546	82	65	.	.	PUNCT
eurjchem-2546	83	1	a	a	DET
eurjchem-2546	83	2	graphical	graphical	ADJ
eurjchem-2546	83	3	representation	representation	NOUN
eurjchem-2546	83	4	is	be	AUX
eurjchem-2546	83	5	provided	provide	VERB
eurjchem-2546	83	6	as	as	ADP
eurjchem-2546	83	7	sup	sup	NOUN
eurjchem-2546	83	8	.	.	PUNCT
eurjchem-2546	84	1	s2	s2	PROPN
eurjchem-2546	84	2	.	.	PUNCT
eurjchem-2546	85	1	td	td	NOUN
eurjchem-2546	85	2	-	-	PUNCT
eurjchem-2546	85	3	cam	cam	NOUN
eurjchem-2546	85	4	-	-	PUNCT
eurjchem-2546	85	5	b3lyp	b3lyp	NOUN
eurjchem-2546	85	6	/	/	SYM
eurjchem-2546	85	7	aug	aug	PROPN
eurjchem-2546	85	8	-	-	PUNCT
eurjchem-2546	85	9	cc	cc	NOUN
eurjchem-2546	85	10	-	-	NOUN
eurjchem-2546	85	11	pvtz	pvtz	NOUN
eurjchem-2546	85	12	a	a	DET
eurjchem-2546	85	13	term	term	NOUN
eurjchem-2546	85	14	𝝂𝝂	𝝂𝝂	VERB
eurjchem-2546	85	15	�	�	PROPN
eurjchem-2546	85	16	b	b	PROPN
eurjchem-2546	85	17	f	f	PROPN
eurjchem-2546	85	18	c	c	PROPN
eurjchem-2546	85	19	leading	lead	VERB
eurjchem-2546	85	20	configurations	configuration	NOUN
eurjchem-2546	85	21	d	d	NOUN
eurjchem-2546	85	22	1	1	NUM
eurjchem-2546	85	23	1b1u	1b1u	NUM
eurjchem-2546	86	1	35.4	35.4	NUM
eurjchem-2546	86	2	1.12	1.12	NUM
eurjchem-2546	86	3	94%[3b3u(𝜋𝜋)→3b2g(𝜋𝜋	94%[3b3u(𝜋𝜋)→3b2g(𝜋𝜋	NUM
eurjchem-2546	86	4	*	*	PUNCT
eurjchem-2546	86	5	)	)	PUNCT
eurjchem-2546	86	6	]	]	PUNCT
eurjchem-2546	86	7	1	1	NUM
eurjchem-2546	86	8	1b2u	1b2u	NOUN
eurjchem-2546	86	9	40.9	40.9	NUM
eurjchem-2546	86	10	2∙10–4	2∙10–4	NUM
eurjchem-2546	86	11	49%[3b3u(𝜋𝜋)→2b1g(𝜋𝜋	49%[3b3u(𝜋𝜋)→2b1g(𝜋𝜋	NUM
eurjchem-2546	86	12	*	*	NUM
eurjchem-2546	86	13	)	)	PUNCT
eurjchem-2546	86	14	]	]	X
eurjchem-2546	86	15	,	,	PUNCT
eurjchem-2546	86	16	32%[1au(𝜋𝜋)→3b2g(𝜋𝜋	32%[1au(𝜋𝜋)→3b2g(𝜋𝜋	NOUN
eurjchem-2546	86	17	*	*	NUM
eurjchem-2546	86	18	)	)	PUNCT
eurjchem-2546	86	19	]	]	PUNCT
eurjchem-2546	86	20	1	1	NUM
eurjchem-2546	86	21	1b3	1b3	NUM
eurjchem-2546	86	22	g	g	NOUN
eurjchem-2546	86	23	41.2	41.2	NUM
eurjchem-2546	86	24	0	0	NUM
eurjchem-2546	86	25	44%[3b3u(𝜋𝜋)→2au(𝜋𝜋	44%[3b3u(𝜋𝜋)→2au(𝜋𝜋	NOUN
eurjchem-2546	86	26	*	*	PUNCT
eurjchem-2546	86	27	)	)	PUNCT
eurjchem-2546	86	28	]	]	PUNCT
eurjchem-2546	86	29	,	,	PUNCT
eurjchem-2546	86	30	35%[1b1g(𝜋𝜋)→3b2g(𝜋𝜋	35%[1b1g(𝜋𝜋)→3b2g(𝜋𝜋	NUM
eurjchem-2546	86	31	*	*	PUNCT
eurjchem-2546	86	32	)	)	PUNCT
eurjchem-2546	86	33	]	]	PUNCT
eurjchem-2546	86	34	1	1	NUM
eurjchem-2546	86	35	1au	1au	NOUN
eurjchem-2546	86	36	42.5	42.5	NUM
eurjchem-2546	86	37	0	0	NUM
eurjchem-2546	86	38	94%[8b2u(𝜋𝜋c≡c)→3b2g(𝜋𝜋	94%[8b2u(𝜋𝜋c≡c)→3b2g(𝜋𝜋	NUM
eurjchem-2546	86	39	*	*	PUNCT
eurjchem-2546	86	40	)	)	PUNCT
eurjchem-2546	86	41	]	]	PUNCT
eurjchem-2546	86	42	1	1	NUM
eurjchem-2546	86	43	1b3u	1b3u	NOUN
eurjchem-2546	86	44	45.3	45.3	NUM
eurjchem-2546	86	45	2∙10–3	2∙10–3	NUM
eurjchem-2546	86	46	76%[3b3u(𝜋𝜋)→14ag(𝜎𝜎	76%[3b3u(𝜋𝜋)→14ag(𝜎𝜎	NUM
eurjchem-2546	86	47	*	*	NUM
eurjchem-2546	86	48	)	)	PUNCT
eurjchem-2546	86	49	]	]	X
eurjchem-2546	86	50	,	,	PUNCT
eurjchem-2546	86	51	11%[3b3u(𝜋𝜋)→15ag(𝜎𝜎	11%[3b3u(𝜋𝜋)→15ag(𝜎𝜎	NUM
eurjchem-2546	86	52	*	*	NUM
eurjchem-2546	86	53	)	)	PUNCT
eurjchem-2546	86	54	]	]	PUNCT
eurjchem-2546	86	55	2	2	NUM
eurjchem-2546	86	56	1ag	1ag	NOUN
eurjchem-2546	86	57	47.3	47.3	NUM
eurjchem-2546	86	58	0	0	NUM
eurjchem-2546	86	59	59%[3b3u(𝜋𝜋)→4b3u(𝜋𝜋	59%[3b3u(𝜋𝜋)→4b3u(𝜋𝜋	NUM
eurjchem-2546	86	60	*	*	NUM
eurjchem-2546	86	61	)	)	PUNCT
eurjchem-2546	86	62	]	]	PUNCT
eurjchem-2546	86	63	,	,	PUNCT
eurjchem-2546	86	64	18%[2b2g(𝜋𝜋)→3b2g(𝜋𝜋	18%[2b2g(𝜋𝜋)→3b2g(𝜋𝜋	NUM
eurjchem-2546	86	65	*	*	PUNCT
eurjchem-2546	86	66	)	)	PUNCT
eurjchem-2546	86	67	]	]	PUNCT
eurjchem-2546	86	68	2	2	NUM
eurjchem-2546	86	69	1b2u	1b2u	NOUN
eurjchem-2546	86	70	48.7	48.7	NUM
eurjchem-2546	86	71	0.52	0.52	NUM
eurjchem-2546	86	72	48%[1au(𝜋𝜋)→3b2g(𝜋𝜋	48%[1au(𝜋𝜋)→3b2g(𝜋𝜋	PROPN
eurjchem-2546	86	73	*	*	PUNCT
eurjchem-2546	86	74	)	)	PUNCT
eurjchem-2546	86	75	]	]	PUNCT
eurjchem-2546	86	76	,	,	PUNCT
eurjchem-2546	86	77	43%[3b3u(𝜋𝜋)→2b1g(𝜋𝜋	43%[3b3u(𝜋𝜋)→2b1g(𝜋𝜋	NUM
eurjchem-2546	86	78	*	*	PUNCT
eurjchem-2546	86	79	)	)	PUNCT
eurjchem-2546	86	80	]	]	PUNCT
eurjchem-2546	86	81	2	2	NUM
eurjchem-2546	86	82	1b3u	1b3u	NOUN
eurjchem-2546	86	83	51.5	51.5	NUM
eurjchem-2546	86	84	0.01	0.01	NUM
eurjchem-2546	86	85	66%[3b3u(𝜋𝜋)→15ag(𝜎𝜎	66%[3b3u(𝜋𝜋)→15ag(𝜎𝜎	NUM
eurjchem-2546	86	86	*	*	NOUN
eurjchem-2546	86	87	)	)	PUNCT
eurjchem-2546	86	88	]	]	X
eurjchem-2546	86	89	,	,	PUNCT
eurjchem-2546	86	90	13%[3b3u(𝜋𝜋)→14ag(𝜎𝜎	13%[3b3u(𝜋𝜋)→14ag(𝜎𝜎	NUM
eurjchem-2546	86	91	*	*	NUM
eurjchem-2546	86	92	)	)	PUNCT
eurjchem-2546	86	93	]	]	PUNCT
eurjchem-2546	86	94	2	2	NUM
eurjchem-2546	86	95	1b1u	1b1u	NUM
eurjchem-2546	86	96	52.1	52.1	NUM
eurjchem-2546	86	97	0.73	0.73	NUM
eurjchem-2546	86	98	46%[1au(𝜋𝜋)→2b1g(𝜋𝜋	46%[1au(𝜋𝜋)→2b1g(𝜋𝜋	PROPN
eurjchem-2546	86	99	*	*	PUNCT
eurjchem-2546	86	100	)	)	PUNCT
eurjchem-2546	86	101	]	]	X
eurjchem-2546	86	102	,	,	PUNCT
eurjchem-2546	86	103	41%[1b1g(𝜋𝜋)→2au(𝜋𝜋	41%[1b1g(𝜋𝜋)→2au(𝜋𝜋	NOUN
eurjchem-2546	86	104	*	*	PUNCT
eurjchem-2546	86	105	)	)	PUNCT
eurjchem-2546	86	106	]	]	PUNCT
eurjchem-2546	86	107	3	3	NUM
eurjchem-2546	86	108	1b3u	1b3u	NOUN
eurjchem-2546	86	109	55.4	55.4	NUM
eurjchem-2546	86	110	5∙10–3	5∙10–3	NUM
eurjchem-2546	86	111	54%[3b3u(𝜋𝜋)→17ag(𝜎𝜎	54%[3b3u(𝜋𝜋)→17ag(𝜎𝜎	NUM
eurjchem-2546	86	112	*	*	NUM
eurjchem-2546	86	113	)	)	PUNCT
eurjchem-2546	86	114	]	]	X
eurjchem-2546	86	115	,	,	PUNCT
eurjchem-2546	86	116	33%[3b3u(𝜋𝜋)→16ag(𝜎𝜎	33%[3b3u(𝜋𝜋)→16ag(𝜎𝜎	NUM
eurjchem-2546	86	117	*	*	NUM
eurjchem-2546	86	118	)	)	PUNCT
eurjchem-2546	86	119	]	]	PUNCT
eurjchem-2546	86	120	3	3	NUM
eurjchem-2546	86	121	1b1u	1b1u	NOUN
eurjchem-2546	86	122	57.4	57.4	NUM
eurjchem-2546	86	123	0.21	0.21	NUM
eurjchem-2546	86	124	68%[3b3u(𝜋𝜋)→4b2g(𝜋𝜋	68%[3b3u(𝜋𝜋)→4b2g(𝜋𝜋	NUM
eurjchem-2546	86	125	*	*	NUM
eurjchem-2546	86	126	)	)	PUNCT
eurjchem-2546	86	127	]	]	PUNCT
eurjchem-2546	86	128	,	,	PUNCT
eurjchem-2546	86	129	14%[2b3u(𝜋𝜋)→3b2g(𝜋𝜋	14%[2b3u(𝜋𝜋)→3b2g(𝜋𝜋	NUM
eurjchem-2546	86	130	*	*	NUM
eurjchem-2546	86	131	)	)	PUNCT
eurjchem-2546	86	132	]	]	PUNCT
eurjchem-2546	86	133	4	4	NUM
eurjchem-2546	86	134	1b3u	1b3u	NOUN
eurjchem-2546	86	135	57.7	57.7	NUM
eurjchem-2546	86	136	8∙10–3	8∙10–3	NUM
eurjchem-2546	86	137	93%[8b2u(𝜋𝜋c≡c)→2b1g(𝜋𝜋	93%[8b2u(𝜋𝜋c≡c)→2b1g(𝜋𝜋	NUM
eurjchem-2546	86	138	*	*	NOUN
eurjchem-2546	86	139	)	)	PUNCT
eurjchem-2546	86	140	]	]	PUNCT
eurjchem-2546	86	141	3	3	NUM
eurjchem-2546	86	142	1b2u	1b2u	NOUN
eurjchem-2546	86	143	58.2	58.2	NUM
eurjchem-2546	86	144	0.02	0.02	NUM
eurjchem-2546	86	145	56%[8b2u(𝜋𝜋c≡c)→14ag(𝜎𝜎	56%[8b2u(𝜋𝜋c≡c)→14ag(𝜎𝜎	NUM
eurjchem-2546	86	146	*	*	PUNCT
eurjchem-2546	86	147	)	)	PUNCT
eurjchem-2546	86	148	]	]	X
eurjchem-2546	86	149	,	,	PUNCT
eurjchem-2546	86	150	20%[8b2u(𝜋𝜋c≡c)→15ag(𝜎𝜎	20%[8b2u(𝜋𝜋c≡c)→15ag(𝜎𝜎	NOUN
eurjchem-2546	86	151	*	*	PUNCT
eurjchem-2546	86	152	)	)	PUNCT
eurjchem-2546	86	153	]	]	PUNCT
eurjchem-2546	86	154	4	4	NUM
eurjchem-2546	86	155	1b1u	1b1u	NUM
eurjchem-2546	86	156	58.3	58.3	NUM
eurjchem-2546	86	157	0.65	0.65	NUM
eurjchem-2546	86	158	30	30	NUM
eurjchem-2546	86	159	%	%	NOUN
eurjchem-2546	86	160	2b3u(𝜋𝜋)→3b2g(𝜋𝜋	2b3u(𝜋𝜋)→3b2g(𝜋𝜋	NOUN
eurjchem-2546	86	161	*	*	NOUN
eurjchem-2546	86	162	)	)	PUNCT
eurjchem-2546	86	163	]	]	PUNCT
eurjchem-2546	86	164	,	,	PUNCT
eurjchem-2546	86	165	18%[3b3u(𝜋𝜋)→4b2g(𝜋𝜋	18%[3b3u(𝜋𝜋)→4b2g(𝜋𝜋	NUM
eurjchem-2546	86	166	*	*	PUNCT
eurjchem-2546	86	167	)	)	PUNCT
eurjchem-2546	86	168	]	]	PUNCT
eurjchem-2546	86	169	5	5	NUM
eurjchem-2546	86	170	1b3u	1b3u	NOUN
eurjchem-2546	86	171	58.4	58.4	NUM
eurjchem-2546	86	172	0.03	0.03	NUM
eurjchem-2546	86	173	32%[1b1g(𝜋𝜋)→9b2u(𝜎𝜎	32%[1b1g(𝜋𝜋)→9b2u(𝜎𝜎	NUM
eurjchem-2546	86	174	*	*	PUNCT
eurjchem-2546	86	175	)	)	PUNCT
eurjchem-2546	86	176	]	]	PUNCT
eurjchem-2546	86	177	,	,	PUNCT
eurjchem-2546	86	178	17%[3b3u(𝜋𝜋)→16ag(𝜎𝜎	17%[3b3u(𝜋𝜋)→16ag(𝜎𝜎	NUM
eurjchem-2546	86	179	*	*	NUM
eurjchem-2546	86	180	)	)	PUNCT
eurjchem-2546	86	181	]	]	PUNCT
eurjchem-2546	86	182	6	6	NUM
eurjchem-2546	86	183	1b3u	1b3u	NOUN
eurjchem-2546	86	184	58.7	58.7	NUM
eurjchem-2546	86	185	0.05	0.05	NUM
eurjchem-2546	86	186	24%[1b1g(𝜋𝜋)→9b2u(𝜎𝜎	24%[1b1g(𝜋𝜋)→9b2u(𝜎𝜎	NUM
eurjchem-2546	86	187	*	*	NUM
eurjchem-2546	86	188	)	)	PUNCT
eurjchem-2546	86	189	]	]	X
eurjchem-2546	86	190	,	,	PUNCT
eurjchem-2546	86	191	19%[3b3u(𝜋𝜋)→17ag(𝜎𝜎	19%[3b3u(𝜋𝜋)→17ag(𝜎𝜎	NUM
eurjchem-2546	86	192	*	*	NUM
eurjchem-2546	86	193	)	)	PUNCT
eurjchem-2546	86	194	]	]	PUNCT
eurjchem-2546	86	195	4	4	NUM
eurjchem-2546	86	196	1b2u	1b2u	NOUN
eurjchem-2546	86	197	59.5	59.5	NUM
eurjchem-2546	86	198	0.10	0.10	NUM
eurjchem-2546	86	199	37%[2b2g(𝜋𝜋)→2au(𝜋𝜋	37%[2b2g(𝜋𝜋)→2au(𝜋𝜋	NUM
eurjchem-2546	86	200	*	*	PUNCT
eurjchem-2546	86	201	)	)	PUNCT
eurjchem-2546	86	202	]	]	X
eurjchem-2546	86	203	,	,	PUNCT
eurjchem-2546	86	204	20%[1b1g(𝜋𝜋)→4b3u(𝜋𝜋	20%[1b1g(𝜋𝜋)→4b3u(𝜋𝜋	NUM
eurjchem-2546	86	205	*	*	PUNCT
eurjchem-2546	86	206	)	)	PUNCT
eurjchem-2546	86	207	]	]	PUNCT
eurjchem-2546	86	208	5	5	NUM
eurjchem-2546	86	209	1b2u	1b2u	NOUN
eurjchem-2546	86	210	61.0	61.0	NUM
eurjchem-2546	86	211	0.50	0.50	NUM
eurjchem-2546	86	212	43%[1b1g(𝜋𝜋)→4b3u(𝜋𝜋	43%[1b1g(𝜋𝜋)→4b3u(𝜋𝜋	NUM
eurjchem-2546	86	213	*	*	NUM
eurjchem-2546	86	214	)	)	PUNCT
eurjchem-2546	86	215	]	]	PUNCT
eurjchem-2546	86	216	,	,	PUNCT
eurjchem-2546	86	217	21%[2b2g(𝜋𝜋)→2au(𝜋𝜋	21%[2b2g(𝜋𝜋)→2au(𝜋𝜋	NOUN
eurjchem-2546	86	218	*	*	PUNCT
eurjchem-2546	86	219	)	)	PUNCT
eurjchem-2546	86	220	]	]	PUNCT
eurjchem-2546	86	221	6	6	NUM
eurjchem-2546	86	222	1b2u	1b2u	NOUN
eurjchem-2546	86	223	61.7	61.7	NUM
eurjchem-2546	86	224	0.02	0.02	NUM
eurjchem-2546	86	225	84%[3b3u(𝜋𝜋)→3b1g(𝜋𝜋	84%[3b3u(𝜋𝜋)→3b1g(𝜋𝜋	NUM
eurjchem-2546	86	226	*	*	PUNCT
eurjchem-2546	86	227	)	)	PUNCT
eurjchem-2546	86	228	]	]	PUNCT
eurjchem-2546	87	1	a	a	DET
eurjchem-2546	87	2	main	main	ADJ
eurjchem-2546	87	3	transition	transition	NOUN
eurjchem-2546	87	4	only	only	ADV
eurjchem-2546	87	5	,	,	PUNCT
eurjchem-2546	87	6	complete	complete	ADJ
eurjchem-2546	87	7	list	list	NOUN
eurjchem-2546	87	8	provided	provide	VERB
eurjchem-2546	87	9	as	as	ADP
eurjchem-2546	87	10	sup	sup	NOUN
eurjchem-2546	87	11	.	.	PUNCT
eurjchem-2546	88	1	s2	s2	PROPN
eurjchem-2546	88	2	.	.	PUNCT
eurjchem-2546	89	1	b	b	PROPN
eurjchem-2546	89	2	wavenumber	wavenumber	NOUN
eurjchem-2546	89	3	in	in	ADP
eurjchem-2546	89	4	1000	1000	NUM
eurjchem-2546	89	5	cm–1	cm–1	X
eurjchem-2546	89	6	.	.	PUNCT
eurjchem-2546	89	7	c	c	PROPN
eurjchem-2546	89	8	oscillator	oscillator	NOUN
eurjchem-2546	89	9	strength	strength	NOUN
eurjchem-2546	89	10	.	.	PUNCT
eurjchem-2546	90	1	d	d	X
eurjchem-2546	90	2	πc≡c	πc≡c	NUM
eurjchem-2546	90	3	indicates	indicate	VERB
eurjchem-2546	90	4	the	the	DET
eurjchem-2546	90	5	in	in	ADP
eurjchem-2546	90	6	-	-	PUNCT
eurjchem-2546	90	7	plane	plane	NOUN
eurjchem-2546	90	8	π	π	PROPN
eurjchem-2546	90	9	component	component	NOUN
eurjchem-2546	90	10	of	of	ADP
eurjchem-2546	90	11	the	the	DET
eurjchem-2546	90	12	triple	triple	ADJ
eurjchem-2546	90	13	-	-	PUNCT
eurjchem-2546	90	14	bond	bond	NOUN
eurjchem-2546	90	15	.	.	PUNCT
eurjchem-2546	91	1	figure	figure	NOUN
eurjchem-2546	91	2	2	2	NUM
eurjchem-2546	91	3	.	.	PUNCT
eurjchem-2546	92	1	gaussian	gaussian	ADJ
eurjchem-2546	92	2	convolutions	convolution	NOUN
eurjchem-2546	92	3	of	of	ADP
eurjchem-2546	92	4	electronic	electronic	ADJ
eurjchem-2546	92	5	transitions	transition	NOUN
eurjchem-2546	92	6	for	for	ADP
eurjchem-2546	92	7	diphenylacetylene	diphenylacetylene	NOUN
eurjchem-2546	92	8	(	(	PUNCT
eurjchem-2546	92	9	dpa	dpa	PROPN
eurjchem-2546	92	10	)	)	PUNCT
eurjchem-2546	92	11	predicted	predict	VERB
eurjchem-2546	92	12	with	with	ADP
eurjchem-2546	92	13	lcoao	lcoao	PROPN
eurjchem-2546	92	14	.	.	PUNCT
eurjchem-2546	93	1	influence	influence	NOUN
eurjchem-2546	93	2	of	of	ADP
eurjchem-2546	93	3	the	the	DET
eurjchem-2546	93	4	solvent	solvent	NOUN
eurjchem-2546	93	5	was	be	AUX
eurjchem-2546	93	6	approximated	approximate	VERB
eurjchem-2546	93	7	by	by	ADP
eurjchem-2546	93	8	the	the	DET
eurjchem-2546	93	9	polarizable	polarizable	ADJ
eurjchem-2546	93	10	continuum	continuum	PROPN
eurjchem-2546	93	11	model	model	NOUN
eurjchem-2546	93	12	iefpcm	iefpcm	PROPN
eurjchem-2546	93	13	[	[	X
eurjchem-2546	93	14	39	39	NUM
eurjchem-2546	93	15	-	-	SYM
eurjchem-2546	93	16	42	42	NUM
eurjchem-2546	93	17	]	]	PUNCT
eurjchem-2546	93	18	using	use	VERB
eurjchem-2546	93	19	n	n	CCONJ
eurjchem-2546	93	20	-	-	PUNCT
eurjchem-2546	93	21	hexadecane	hexadecane	NOUN
eurjchem-2546	93	22	as	as	ADP
eurjchem-2546	93	23	the	the	DET
eurjchem-2546	93	24	solvent	solvent	NOUN
eurjchem-2546	94	1	[	[	X
eurjchem-2546	94	2	36	36	NUM
eurjchem-2546	94	3	]	]	PUNCT
eurjchem-2546	94	4	.	.	PUNCT
eurjchem-2546	95	1	the	the	DET
eurjchem-2546	95	2	ground	ground	NOUN
eurjchem-2546	95	3	state	state	PROPN
eurjchem-2546	95	4	equilibrium	equilibrium	NOUN
eurjchem-2546	95	5	geometry	geometry	NOUN
eurjchem-2546	95	6	of	of	ADP
eurjchem-2546	95	7	dpa	dpa	PROPN
eurjchem-2546	95	8	was	be	AUX
eurjchem-2546	95	9	optimized	optimize	VERB
eurjchem-2546	95	10	under	under	ADP
eurjchem-2546	95	11	the	the	DET
eurjchem-2546	95	12	assumption	assumption	NOUN
eurjchem-2546	95	13	of	of	ADP
eurjchem-2546	95	14	d2h	d2h	PROPN
eurjchem-2546	95	15	symmetry	symmetry	NOUN
eurjchem-2546	95	16	with	with	ADP
eurjchem-2546	95	17	cam	cam	PROPN
eurjchem-2546	95	18	-	-	PUNCT
eurjchem-2546	95	19	b3lyp	b3lyp	NOUN
eurjchem-2546	95	20	using	use	VERB
eurjchem-2546	95	21	the	the	DET
eurjchem-2546	95	22	respective	respective	ADJ
eurjchem-2546	95	23	basis	basis	NOUN
eurjchem-2546	95	24	sets	set	NOUN
eurjchem-2546	95	25	and	and	CCONJ
eurjchem-2546	95	26	representing	represent	VERB
eurjchem-2546	95	27	the	the	DET
eurjchem-2546	95	28	dispersion	dispersion	NOUN
eurjchem-2546	95	29	effects	effect	NOUN
eurjchem-2546	95	30	by	by	ADP
eurjchem-2546	95	31	the	the	DET
eurjchem-2546	95	32	model	model	NOUN
eurjchem-2546	95	33	by	by	ADP
eurjchem-2546	95	34	grimme	grimme	NOUN
eurjchem-2546	96	1	[	[	X
eurjchem-2546	96	2	43	43	NUM
eurjchem-2546	96	3	]	]	PUNCT
eurjchem-2546	96	4	(	(	PUNCT
eurjchem-2546	96	5	keyword	keyword	NOUN
eurjchem-2546	96	6	:	:	PUNCT
eurjchem-2546	96	7	empiricaldispersion	empiricaldispersion	NOUN
eurjchem-2546	96	8	=	=	SYM
eurjchem-2546	96	9	gd3bj	gd3bj	NOUN
eurjchem-2546	96	10	[	[	X
eurjchem-2546	96	11	36	36	NUM
eurjchem-2546	96	12	]	]	NUM
eurjchem-2546	96	13	)	)	PUNCT
eurjchem-2546	96	14	.	.	PUNCT
eurjchem-2546	97	1	the	the	DET
eurjchem-2546	97	2	resulting	result	VERB
eurjchem-2546	97	3	nuclear	nuclear	ADJ
eurjchem-2546	97	4	coordinates	coordinate	NOUN
eurjchem-2546	97	5	are	be	AUX
eurjchem-2546	97	6	provided	provide	VERB
eurjchem-2546	97	7	in	in	ADP
eurjchem-2546	97	8	sup	sup	NOUN
eurjchem-2546	97	9	.	.	PUNCT
eurjchem-2546	98	1	s2	s2	NOUN
eurjchem-2546	98	2	and	and	CCONJ
eurjchem-2546	98	3	sup	sup	NOUN
eurjchem-2546	98	4	.	.	PUNCT
eurjchem-2546	99	1	s3	s3	PROPN
eurjchem-2546	99	2	together	together	ADV
eurjchem-2546	99	3	with	with	ADP
eurjchem-2546	99	4	the	the	DET
eurjchem-2546	99	5	results	result	NOUN
eurjchem-2546	99	6	of	of	ADP
eurjchem-2546	99	7	frequency	frequency	NOUN
eurjchem-2546	99	8	analyses	analysis	NOUN
eurjchem-2546	99	9	.	.	PUNCT
eurjchem-2546	100	1	the	the	DET
eurjchem-2546	100	2	td	td	NOUN
eurjchem-2546	100	3	-	-	PUNCT
eurjchem-2546	100	4	cam	cam	NOUN
eurjchem-2546	100	5	-	-	PUNCT
eurjchem-2546	100	6	b3lyp	b3lyp	NOUN
eurjchem-2546	100	7	calculations	calculation	NOUN
eurjchem-2546	100	8	considered	consider	VERB
eurjchem-2546	100	9	vertical	vertical	ADJ
eurjchem-2546	100	10	transitions	transition	NOUN
eurjchem-2546	100	11	to	to	ADP
eurjchem-2546	100	12	the	the	DET
eurjchem-2546	100	13	lowest	low	ADJ
eurjchem-2546	100	14	70	70	NUM
eurjchem-2546	100	15	excited	excited	ADJ
eurjchem-2546	100	16	singlet	singlet	ADJ
eurjchem-2546	100	17	states	state	NOUN
eurjchem-2546	100	18	.	.	PUNCT
eurjchem-2546	101	1	the	the	DET
eurjchem-2546	101	2	main	main	ADJ
eurjchem-2546	101	3	transitions	transition	NOUN
eurjchem-2546	101	4	obtained	obtain	VERB
eurjchem-2546	101	5	with	with	ADP
eurjchem-2546	101	6	the	the	DET
eurjchem-2546	101	7	basis	basis	NOUN
eurjchem-2546	101	8	set	set	VERB
eurjchem-2546	101	9	aug	aug	PROPN
eurjchem-2546	101	10	-	-	PUNCT
eurjchem-2546	101	11	cc	cc	NOUN
eurjchem-2546	101	12	-	-	NOUN
eurjchem-2546	101	13	pvtz	pvtz	PROPN
eurjchem-2546	101	14	are	be	AUX
eurjchem-2546	101	15	listed	list	VERB
eurjchem-2546	101	16	in	in	ADP
eurjchem-2546	101	17	table	table	NOUN
eurjchem-2546	101	18	2	2	NUM
eurjchem-2546	101	19	.	.	PUNCT
eurjchem-2546	101	20	complete	complete	ADJ
eurjchem-2546	101	21	listings	listing	NOUN
eurjchem-2546	101	22	and	and	CCONJ
eurjchem-2546	101	23	graphical	graphical	ADJ
eurjchem-2546	101	24	illustrations	illustration	NOUN
eurjchem-2546	101	25	of	of	ADP
eurjchem-2546	101	26	all	all	DET
eurjchem-2546	101	27	transitions	transition	NOUN
eurjchem-2546	101	28	computed	compute	VERB
eurjchem-2546	101	29	with	with	ADP
eurjchem-2546	101	30	td	td	NOUN
eurjchem-2546	101	31	–	–	PUNCT
eurjchem-2546	101	32	cam	cam	NOUN
eurjchem-2546	101	33	-	-	PUNCT
eurjchem-2546	101	34	b3lyp	b3lyp	NOUN
eurjchem-2546	101	35	are	be	AUX
eurjchem-2546	101	36	provided	provide	VERB
eurjchem-2546	101	37	as	as	ADP
eurjchem-2546	101	38	sup	sup	NOUN
eurjchem-2546	101	39	.	.	PUNCT
eurjchem-2546	102	1	s2	s2	NOUN
eurjchem-2546	102	2	and	and	CCONJ
eurjchem-2546	102	3	sup	sup	NOUN
eurjchem-2546	102	4	.	.	PUNCT
eurjchem-2546	103	1	s3	s3	PROPN
eurjchem-2546	103	2	.	.	PUNCT
eurjchem-2546	104	1	the	the	DET
eurjchem-2546	104	2	convolutions	convolution	NOUN
eurjchem-2546	104	3	of	of	ADP
eurjchem-2546	104	4	the	the	DET
eurjchem-2546	104	5	predicted	predict	VERB
eurjchem-2546	104	6	transitions	transition	NOUN
eurjchem-2546	104	7	shown	show	VERB
eurjchem-2546	104	8	in	in	ADP
eurjchem-2546	104	9	figure	figure	NOUN
eurjchem-2546	104	10	2	2	NUM
eurjchem-2546	104	11	,	,	PUNCT
eurjchem-2546	104	12	sup	sup	NOUN
eurjchem-2546	104	13	.	.	PUNCT
eurjchem-2546	104	14	s2	s2	PROPN
eurjchem-2546	104	15	,	,	PUNCT
eurjchem-2546	104	16	sup	sup	NOUN
eurjchem-2546	104	17	.	.	PUNCT
eurjchem-2546	104	18	s3	s3	PROPN
eurjchem-2546	104	19	and	and	CCONJ
eurjchem-2546	104	20	sup	sup	NOUN
eurjchem-2546	104	21	.	.	PUNCT
eurjchem-2546	105	1	s4	s4	PROPN
eurjchem-2546	105	2	were	be	AUX
eurjchem-2546	105	3	performed	perform	VERB
eurjchem-2546	105	4	by	by	ADP
eurjchem-2546	105	5	assigning	assign	VERB
eurjchem-2546	105	6	a	a	DET
eurjchem-2546	105	7	gaussian	gaussian	ADJ
eurjchem-2546	105	8	function	function	NOUN
eurjchem-2546	105	9	to	to	ADP
eurjchem-2546	105	10	each	each	DET
eurjchem-2546	105	11	excitation	excitation	NOUN
eurjchem-2546	105	12	wavenumber	wavenumber	NOUN
eurjchem-2546	105	13	with	with	ADP
eurjchem-2546	105	14	an	an	DET
eurjchem-2546	105	15	area	area	NOUN
eurjchem-2546	105	16	proportional	proportional	NOUN
eurjchem-2546	105	17	to	to	ADP
eurjchem-2546	105	18	the	the	DET
eurjchem-2546	105	19	oscillator	oscillator	NOUN
eurjchem-2546	105	20	strength	strength	NOUN
eurjchem-2546	105	21	or	or	CCONJ
eurjchem-2546	105	22	the	the	DET
eurjchem-2546	105	23	mcd	mcd	PROPN
eurjchem-2546	105	24	b	b	NOUN
eurjchem-2546	105	25	-	-	PUNCT
eurjchem-2546	105	26	term	term	NOUN
eurjchem-2546	105	27	for	for	ADP
eurjchem-2546	105	28	that	that	DET
eurjchem-2546	105	29	transition	transition	NOUN
eurjchem-2546	105	30	,	,	PUNCT
eurjchem-2546	105	31	using	use	VERB
eurjchem-2546	105	32	a	a	DET
eurjchem-2546	105	33	constant	constant	ADJ
eurjchem-2546	105	34	standard	standard	ADJ
eurjchem-2546	105	35	deviation	deviation	NOUN
eurjchem-2546	105	36	,	,	PUNCT
eurjchem-2546	105	37	σ	σ	PROPN
eurjchem-2546	105	38	=	=	SYM
eurjchem-2546	105	39	1,500	1,500	NUM
eurjchem-2546	105	40	cm–1	cm–1	NOUN
eurjchem-2546	105	41	.	.	NOUN
eurjchem-2546	106	1	3	3	X
eurjchem-2546	106	2	.	.	NOUN
eurjchem-2546	106	3	results	result	NOUN
eurjchem-2546	106	4	and	and	CCONJ
eurjchem-2546	106	5	discussion	discussion	NOUN
eurjchem-2546	106	6	3.1	3.1	NUM
eurjchem-2546	106	7	.	.	PUNCT
eurjchem-2546	107	1	linear	linear	ADJ
eurjchem-2546	107	2	dichroism	dichroism	NOUN
eurjchem-2546	107	3	:	:	PUNCT
eurjchem-2546	107	4	orientation	orientation	NOUN
eurjchem-2546	107	5	factors	factor	NOUN
eurjchem-2546	107	6	and	and	CCONJ
eurjchem-2546	107	7	polarization	polarization	NOUN
eurjchem-2546	107	8	directions	direction	NOUN
eurjchem-2546	107	9	the	the	DET
eurjchem-2546	107	10	observed	observed	ADJ
eurjchem-2546	107	11	ld	ld	NOUN
eurjchem-2546	107	12	absorption	absorption	NOUN
eurjchem-2546	107	13	curves	curve	NOUN
eurjchem-2546	107	14	𝐸𝐸𝑈𝑈(𝜈𝜈	𝐸𝐸𝑈𝑈(𝜈𝜈	PROPN
eurjchem-2546	107	15	�	�	PROPN
eurjchem-2546	107	16	)	)	PUNCT
eurjchem-2546	107	17	and	and	CCONJ
eurjchem-2546	107	18	𝐸𝐸𝑉𝑉(𝜈𝜈	𝐸𝐸𝑉𝑉(𝜈𝜈	PROPN
eurjchem-2546	107	19	�	�	PROPN
eurjchem-2546	107	20	)	)	PUNCT
eurjchem-2546	107	21	are	be	AUX
eurjchem-2546	107	22	shown	show	VERB
eurjchem-2546	107	23	in	in	ADP
eurjchem-2546	107	24	figure	figure	NOUN
eurjchem-2546	107	25	1a	1a	NOUN
eurjchem-2546	107	26	.	.	PUNCT
eurjchem-2546	108	1	directional	directional	ADJ
eurjchem-2546	108	2	information	information	NOUN
eurjchem-2546	108	3	that	that	PRON
eurjchem-2546	108	4	can	can	AUX
eurjchem-2546	108	5	be	be	AUX
eurjchem-2546	108	6	derived	derive	VERB
eurjchem-2546	108	7	from	from	ADP
eurjchem-2546	108	8	the	the	DET
eurjchem-2546	108	9	ld	ld	PROPN
eurjchem-2546	108	10	curves	curve	NOUN
eurjchem-2546	108	11	is	be	AUX
eurjchem-2546	108	12	given	give	VERB
eurjchem-2546	108	13	by	by	ADP
eurjchem-2546	108	14	the	the	DET
eurjchem-2546	108	15	orientation	orientation	NOUN
eurjchem-2546	108	16	factors	factor	VERB
eurjchem-2546	108	17	𝐾𝐾𝑖𝑖	𝐾𝐾𝑖𝑖	X
eurjchem-2546	108	18	=	=	PUNCT
eurjchem-2546	108	19	〈	〈	PROPN
eurjchem-2546	108	20	cos2(𝑴𝑴𝑖𝑖	cos2(𝑴𝑴𝑖𝑖	PROPN
eurjchem-2546	108	21	,	,	PUNCT
eurjchem-2546	108	22	𝑈𝑈	𝑈𝑈	ADJ
eurjchem-2546	108	23	)	)	PUNCT
eurjchem-2546	108	24	〉	〉	NOUN
eurjchem-2546	108	25	,	,	PUNCT
eurjchem-2546	108	26	where	where	SCONJ
eurjchem-2546	108	27	(	(	PUNCT
eurjchem-2546	108	28	𝑴𝑴𝑖𝑖	𝑴𝑴𝑖𝑖	PROPN
eurjchem-2546	108	29	,	,	PUNCT
eurjchem-2546	108	30	𝑈𝑈	𝑈𝑈	PROPN
eurjchem-2546	108	31	)	)	PUNCT
eurjchem-2546	108	32	is	be	AUX
eurjchem-2546	108	33	the	the	DET
eurjchem-2546	108	34	angle	angle	NOUN
eurjchem-2546	108	35	of	of	ADP
eurjchem-2546	108	36	the	the	DET
eurjchem-2546	108	37	dipole	dipole	NOUN
eurjchem-2546	108	38	moment	moment	NOUN
eurjchem-2546	108	39	vector	vector	NOUN
eurjchem-2546	108	40	𝑴𝑴𝑖𝑖	𝑴𝑴𝑖𝑖	PROPN
eurjchem-2546	108	41	of	of	ADP
eurjchem-2546	108	42	transition	transition	NOUN
eurjchem-2546	108	43	i	i	PRON
eurjchem-2546	108	44	with	with	ADP
eurjchem-2546	108	45	the	the	DET
eurjchem-2546	108	46	polymer	polymer	NOUN
eurjchem-2546	108	47	stretching	stretching	NOUN
eurjchem-2546	108	48	direction	direction	NOUN
eurjchem-2546	108	49	𝑈𝑈	𝑈𝑈	PROPN
eurjchem-2546	108	50	and	and	CCONJ
eurjchem-2546	108	51	the	the	DET
eurjchem-2546	108	52	pointed	pointed	ADJ
eurjchem-2546	108	53	brackets	bracket	NOUN
eurjchem-2546	108	54	indicate	indicate	VERB
eurjchem-2546	108	55	the	the	DET
eurjchem-2546	108	56	average	average	NOUN
eurjchem-2546	108	57	over	over	ADP
eurjchem-2546	108	58	all	all	DET
eurjchem-2546	108	59	solute	solute	ADJ
eurjchem-2546	108	60	molecules	molecule	NOUN
eurjchem-2546	108	61	in	in	ADP
eurjchem-2546	108	62	the	the	DET
eurjchem-2546	108	63	light	light	ADJ
eurjchem-2546	108	64	path	path	NOUN
eurjchem-2546	108	65	[	[	X
eurjchem-2546	108	66	17	17	NUM
eurjchem-2546	108	67	-	-	SYM
eurjchem-2546	108	68	22	22	NUM
eurjchem-2546	108	69	]	]	PUNCT
eurjchem-2546	108	70	.	.	PUNCT
eurjchem-2546	109	1	the	the	DET
eurjchem-2546	109	2	𝐾𝐾𝑖𝑖	𝐾𝐾𝑖𝑖	PROPN
eurjchem-2546	109	3	values	value	NOUN
eurjchem-2546	109	4	may	may	AUX
eurjchem-2546	109	5	be	be	AUX
eurjchem-2546	109	6	estimated	estimate	VERB
eurjchem-2546	109	7	by	by	ADP
eurjchem-2546	109	8	considering	consider	VERB
eurjchem-2546	109	9	the	the	DET
eurjchem-2546	109	10	‘	'	PUNCT
eurjchem-2546	109	11	reduced	reduced	ADJ
eurjchem-2546	109	12	’	'	PUNCT
eurjchem-2546	109	13	absorbance	absorbance	NOUN
eurjchem-2546	109	14	curves	curve	NOUN
eurjchem-2546	109	15	𝑟𝑟𝐾𝐾(𝜈𝜈	𝑟𝑟𝐾𝐾(𝜈𝜈	NOUN
eurjchem-2546	109	16	�	�	NOUN
eurjchem-2546	109	17	)	)	PUNCT
eurjchem-2546	109	18	(	(	PUNCT
eurjchem-2546	109	19	equation	equation	NOUN
eurjchem-2546	109	20	1	1	NUM
eurjchem-2546	109	21	)	)	PUNCT
eurjchem-2546	110	1	[	[	X
eurjchem-2546	110	2	19	19	NUM
eurjchem-2546	110	3	]	]	PUNCT
eurjchem-2546	110	4	:	:	PUNCT
eurjchem-2546	110	5	𝑟𝑟𝐾𝐾(𝜈𝜈	𝑟𝑟𝐾𝐾(𝜈𝜈	NOUN
eurjchem-2546	110	6	�	�	NOUN
eurjchem-2546	110	7	)	)	PUNCT
eurjchem-2546	110	8	=	=	PUNCT
eurjchem-2546	110	9	(	(	PUNCT
eurjchem-2546	110	10	1	1	NUM
eurjchem-2546	110	11	−	−	PROPN
eurjchem-2546	110	12	𝐾𝐾)𝐸𝐸𝑈𝑈(𝜈𝜈	𝐾𝐾)𝐸𝐸𝑈𝑈(𝜈𝜈	NUM
eurjchem-2546	110	13	�	�	NOUN
eurjchem-2546	110	14	)	)	PUNCT
eurjchem-2546	110	15	−	−	PROPN
eurjchem-2546	110	16	2𝐾𝐾𝐸𝐸𝑉𝑉(𝜈𝜈	2𝐾𝐾𝐸𝐸𝑉𝑉(𝜈𝜈	NOUN
eurjchem-2546	110	17	�	�	NOUN
eurjchem-2546	110	18	)	)	PUNCT
eurjchem-2546	110	19	(	(	PUNCT
eurjchem-2546	110	20	1	1	X
eurjchem-2546	110	21	)	)	PUNCT
eurjchem-2546	110	22	the	the	DET
eurjchem-2546	110	23	contribution	contribution	NOUN
eurjchem-2546	110	24	from	from	ADP
eurjchem-2546	110	25	transition	transition	NOUN
eurjchem-2546	110	26	i	i	PRON
eurjchem-2546	110	27	vanishes	vanish	VERB
eurjchem-2546	110	28	from	from	ADP
eurjchem-2546	110	29	the	the	DET
eurjchem-2546	110	30	linear	linear	ADJ
eurjchem-2546	110	31	combination	combination	NOUN
eurjchem-2546	110	32	𝑟𝑟𝐾𝐾(𝜈𝜈	𝑟𝑟𝐾𝐾(𝜈𝜈	NOUN
eurjchem-2546	110	33	�	�	NOUN
eurjchem-2546	110	34	)	)	PUNCT
eurjchem-2546	110	35	for	for	ADP
eurjchem-2546	110	36	𝐾𝐾	𝐾𝐾	NOUN
eurjchem-2546	110	37	=	=	SYM
eurjchem-2546	110	38	𝐾𝐾𝑖𝑖	𝐾𝐾𝑖𝑖	PROPN
eurjchem-2546	110	39	,	,	PUNCT
eurjchem-2546	110	40	and	and	CCONJ
eurjchem-2546	110	41	the	the	DET
eurjchem-2546	110	42	𝐾𝐾𝑖𝑖	𝐾𝐾𝑖𝑖	PROPN
eurjchem-2546	110	43	value	value	NOUN
eurjchem-2546	110	44	may	may	AUX
eurjchem-2546	110	45	thus	thus	ADV
eurjchem-2546	110	46	be	be	AUX
eurjchem-2546	110	47	determined	determine	VERB
eurjchem-2546	110	48	by	by	ADP
eurjchem-2546	110	49	visual	visual	ADJ
eurjchem-2546	110	50	inspection	inspection	NOUN
eurjchem-2546	110	51	[	[	X
eurjchem-2546	110	52	19	19	NUM
eurjchem-2546	110	53	]	]	PUNCT
eurjchem-2546	110	54	.	.	PUNCT
eurjchem-2546	111	1	a	a	DET
eurjchem-2546	111	2	family	family	NOUN
eurjchem-2546	111	3	of	of	ADP
eurjchem-2546	111	4	curves	curve	NOUN
eurjchem-2546	111	5	𝑟𝑟𝐾𝐾(𝜈𝜈	𝑟𝑟𝐾𝐾(𝜈𝜈	NOUN
eurjchem-2546	111	6	�	�	NOUN
eurjchem-2546	111	7	)	)	PUNCT
eurjchem-2546	111	8	for	for	ADP
eurjchem-2546	111	9	dpa	dpa	VERB
eurjchem-2546	111	10	with	with	ADP
eurjchem-2546	111	11	𝐾𝐾	𝐾𝐾	NOUN
eurjchem-2546	111	12	ranging	range	VERB
eurjchem-2546	111	13	between	between	ADP
eurjchem-2546	111	14	the	the	DET
eurjchem-2546	111	15	limits	limit	NOUN
eurjchem-2546	111	16	0	0	PUNCT
eurjchem-2546	111	17	and	and	CCONJ
eurjchem-2546	111	18	1	1	NUM
eurjchem-2546	111	19	is	be	AUX
eurjchem-2546	111	20	shown	show	VERB
eurjchem-2546	111	21	in	in	ADP
eurjchem-2546	111	22	figure	figure	NOUN
eurjchem-2546	111	23	1b	1b	NUM
eurjchem-2546	111	24	,	,	PUNCT
eurjchem-2546	111	25	leading	lead	VERB
eurjchem-2546	111	26	to	to	ADP
eurjchem-2546	111	27	determination	determination	NOUN
eurjchem-2546	111	28	of	of	ADP
eurjchem-2546	111	29	𝐾𝐾𝑖𝑖	𝐾𝐾𝑖𝑖	PROPN
eurjchem-2546	111	30	values	value	NOUN
eurjchem-2546	111	31	close	close	ADJ
eurjchem-2546	111	32	to	to	ADP
eurjchem-2546	111	33	0.64	0.64	NUM
eurjchem-2546	111	34	and	and	CCONJ
eurjchem-2546	111	35	0.20	0.20	NUM
eurjchem-2546	111	36	for	for	ADP
eurjchem-2546	111	37	the	the	DET
eurjchem-2546	111	38	main	main	ADJ
eurjchem-2546	111	39	bands	band	NOUN
eurjchem-2546	111	40	.	.	PUNCT
eurjchem-2546	112	1	according	accord	VERB
eurjchem-2546	112	2	to	to	ADP
eurjchem-2546	112	3	the	the	DET
eurjchem-2546	112	4	d2h	d2h	PROPN
eurjchem-2546	112	5	molecular	molecular	ADJ
eurjchem-2546	112	6	point	point	NOUN
eurjchem-2546	112	7	group	group	NOUN
eurjchem-2546	112	8	,	,	PUNCT
eurjchem-2546	112	9	dipole	dipole	NOUN
eurjchem-2546	112	10	allowed	allow	VERB
eurjchem-2546	112	11	transitions	transition	NOUN
eurjchem-2546	112	12	in	in	ADP
eurjchem-2546	112	13	dpa	dpa	NOUN
eurjchem-2546	112	14	must	must	AUX
eurjchem-2546	112	15	be	be	AUX
eurjchem-2546	112	16	polarized	polarize	VERB
eurjchem-2546	112	17	along	along	ADP
eurjchem-2546	112	18	the	the	DET
eurjchem-2546	112	19	molecular	molecular	ADJ
eurjchem-2546	112	20	symmetry	symmetry	NOUN
eurjchem-2546	112	21	axes	axis	NOUN
eurjchem-2546	112	22	x	x	NOUN
eurjchem-2546	112	23	,	,	PUNCT
eurjchem-2546	112	24	y	y	PROPN
eurjchem-2546	112	25	,	,	PUNCT
eurjchem-2546	112	26	and	and	CCONJ
eurjchem-2546	112	27	z.	z.	PROPN
eurjchem-2546	112	28	we	we	PRON
eurjchem-2546	112	29	shall	shall	AUX
eurjchem-2546	112	30	assume	assume	VERB
eurjchem-2546	112	31	that	that	SCONJ
eurjchem-2546	112	32	the	the	DET
eurjchem-2546	112	33	observed	observed	ADJ
eurjchem-2546	112	34	absorbance	absorbance	NOUN
eurjchem-2546	112	35	is	be	AUX
eurjchem-2546	112	36	primarily	primarily	ADV
eurjchem-2546	112	37	due	due	ADJ
eurjchem-2546	112	38	to	to	ADP
eurjchem-2546	112	39	π	π	PROPN
eurjchem-2546	112	40	-	-	PUNCT
eurjchem-2546	112	41	π	π	NOUN
eurjchem-2546	112	42	*	*	NOUN
eurjchem-2546	112	43	transitions	transition	NOUN
eurjchem-2546	112	44	and	and	CCONJ
eurjchem-2546	112	45	thus	thus	ADV
eurjchem-2546	112	46	polarized	polarize	VERB
eurjchem-2546	112	47	along	along	ADP
eurjchem-2546	112	48	the	the	DET
eurjchem-2546	112	49	in	in	ADP
eurjchem-2546	112	50	-	-	PUNCT
eurjchem-2546	112	51	plane	plane	NOUN
eurjchem-2546	112	52	y	y	PROPN
eurjchem-2546	112	53	and	and	CCONJ
eurjchem-2546	112	54	z	z	PROPN
eurjchem-2546	112	55	axes	axis	NOUN
eurjchem-2546	112	56	(	(	PUNCT
eurjchem-2546	112	57	scheme	scheme	NOUN
eurjchem-2546	112	58	1	1	NUM
eurjchem-2546	112	59	)	)	PUNCT
eurjchem-2546	112	60	;	;	PUNCT
eurjchem-2546	112	61	this	this	DET
eurjchem-2546	112	62	assumption	assumption	NOUN
eurjchem-2546	112	63	is	be	AUX
eurjchem-2546	112	64	supported	support	VERB
eurjchem-2546	112	65	by	by	ADP
eurjchem-2546	112	66	the	the	DET
eurjchem-2546	112	67	theoretical	theoretical	ADJ
eurjchem-2546	112	68	results	result	NOUN
eurjchem-2546	112	69	(	(	PUNCT
eurjchem-2546	112	70	tables	table	NOUN
eurjchem-2546	112	71	1	1	NUM
eurjchem-2546	112	72	and	and	CCONJ
eurjchem-2546	112	73	2	2	NUM
eurjchem-2546	112	74	,	,	PUNCT
eurjchem-2546	112	75	sup	sup	NOUN
eurjchem-2546	112	76	.	.	PUNCT
eurjchem-2546	112	77	s2	s2	PROPN
eurjchem-2546	112	78	,	,	PUNCT
eurjchem-2546	112	79	sup	sup	NOUN
eurjchem-2546	112	80	.	.	PUNCT
eurjchem-2546	113	1	s3	s3	PROPN
eurjchem-2546	113	2	,	,	PUNCT
eurjchem-2546	113	3	sup	sup	NOUN
eurjchem-2546	113	4	.	.	PUNCT
eurjchem-2546	113	5	s4	s4	PROPN
eurjchem-2546	113	6	)	)	PUNCT
eurjchem-2546	113	7	.	.	PUNCT
eurjchem-2546	114	1	aromatic	aromatic	ADJ
eurjchem-2546	114	2	hydrocarbons	hydrocarbon	NOUN
eurjchem-2546	114	3	tend	tend	VERB
eurjchem-2546	114	4	to	to	PART
eurjchem-2546	114	5	align	align	VERB
eurjchem-2546	114	6	in	in	ADP
eurjchem-2546	114	7	stretched	stretch	VERB
eurjchem-2546	114	8	pe	pe	ADP
eurjchem-2546	114	9	according	accord	VERB
eurjchem-2546	114	10	to	to	ADP
eurjchem-2546	114	11	their	their	PRON
eurjchem-2546	114	12	molecular	molecular	ADJ
eurjchem-2546	114	13	dimensions	dimension	NOUN
eurjchem-2546	114	14	[	[	X
eurjchem-2546	114	15	17	17	NUM
eurjchem-2546	114	16	-	-	SYM
eurjchem-2546	114	17	22	22	NUM
eurjchem-2546	114	18	]	]	PUNCT
eurjchem-2546	114	19	and	and	CCONJ
eurjchem-2546	114	20	we	we	PRON
eurjchem-2546	114	21	thus	thus	ADV
eurjchem-2546	114	22	assign	assign	VERB
eurjchem-2546	114	23	the	the	DET
eurjchem-2546	114	24	observed	observed	ADJ
eurjchem-2546	114	25	𝐾𝐾𝑖𝑖	𝐾𝐾𝑖𝑖	PROPN
eurjchem-2546	114	26	values	value	NOUN
eurjchem-2546	114	27	0.20	0.20	NUM
eurjchem-2546	114	28	and	and	CCONJ
eurjchem-2546	114	29	0.64	0.64	NUM
eurjchem-2546	114	30	to	to	ADP
eurjchem-2546	114	31	the	the	DET
eurjchem-2546	114	32	orientation	orientation	NOUN
eurjchem-2546	114	33	factors	factor	NOUN
eurjchem-2546	114	34	of	of	ADP
eurjchem-2546	114	35	the	the	DET
eurjchem-2546	114	36	short	short	ADJ
eurjchem-2546	114	37	and	and	CCONJ
eurjchem-2546	114	38	long	long	ADJ
eurjchem-2546	114	39	in	in	ADP
eurjchem-2546	114	40	-	-	PUNCT
eurjchem-2546	114	41	plane	plane	NOUN
eurjchem-2546	114	42	molecular	molecular	ADJ
eurjchem-2546	114	43	axes	axis	NOUN
eurjchem-2546	114	44	y	y	PROPN
eurjchem-2546	114	45	and	and	CCONJ
eurjchem-2546	114	46	z	z	PROPN
eurjchem-2546	114	47	,	,	PUNCT
eurjchem-2546	114	48	�	�	PROPN
eurjchem-2546	114	49	𝐾𝐾𝑦𝑦	𝐾𝐾𝑦𝑦	PROPN
eurjchem-2546	114	50	,	,	PUNCT
eurjchem-2546	114	51	𝐾𝐾𝑧𝑧	𝐾𝐾𝑧𝑧	PROPN
eurjchem-2546	114	52	�	�	X
eurjchem-2546	114	53	=	=	SYM
eurjchem-2546	114	54	(	(	PUNCT
eurjchem-2546	114	55	0.20	0.20	NUM
eurjchem-2546	114	56	,	,	PUNCT
eurjchem-2546	114	57	0.64	0.64	NUM
eurjchem-2546	114	58	)	)	PUNCT
eurjchem-2546	114	59	.	.	PUNCT
eurjchem-2546	115	1	it	it	PRON
eurjchem-2546	115	2	is	be	AUX
eurjchem-2546	115	3	now	now	ADV
eurjchem-2546	115	4	possible	possible	ADJ
eurjchem-2546	115	5	to	to	PART
eurjchem-2546	115	6	construct	construct	VERB
eurjchem-2546	115	7	the	the	DET
eurjchem-2546	115	8	partial	partial	ADJ
eurjchem-2546	115	9	absorbance	absorbance	NOUN
eurjchem-2546	115	10	curves	curve	NOUN
eurjchem-2546	115	11	𝐴𝐴𝑦𝑦(𝜈𝜈	𝐴𝐴𝑦𝑦(𝜈𝜈	NOUN
eurjchem-2546	115	12	�	�	PROPN
eurjchem-2546	115	13	)	)	PUNCT
eurjchem-2546	115	14	and	and	CCONJ
eurjchem-2546	115	15	𝐴𝐴𝑧𝑧(𝜈𝜈	𝐴𝐴𝑧𝑧(𝜈𝜈	PROPN
eurjchem-2546	115	16	�	�	PROPN
eurjchem-2546	115	17	)	)	PUNCT
eurjchem-2546	115	18	(	(	PUNCT
eurjchem-2546	115	19	equations	equation	NOUN
eurjchem-2546	115	20	2	2	NUM
eurjchem-2546	115	21	and	and	CCONJ
eurjchem-2546	115	22	3	3	NUM
eurjchem-2546	115	23	)	)	PUNCT
eurjchem-2546	115	24	corresponding	correspond	VERB
eurjchem-2546	115	25	to	to	ADP
eurjchem-2546	115	26	y	y	PROPN
eurjchem-2546	115	27	and	and	CCONJ
eurjchem-2546	115	28	z	z	NOUN
eurjchem-2546	115	29	polarized	polarize	VERB
eurjchem-2546	115	30	absorbance	absorbance	NOUN
eurjchem-2546	115	31	[	[	X
eurjchem-2546	115	32	19	19	NUM
eurjchem-2546	115	33	]	]	X
eurjchem-2546	115	34	:	:	PUNCT
eurjchem-2546	115	35	𝐴𝐴𝑦𝑦(𝜈𝜈	𝐴𝐴𝑦𝑦(𝜈𝜈	PART
eurjchem-2546	115	36	�	�	PROPN
eurjchem-2546	115	37	)	)	PUNCT
eurjchem-2546	115	38	=	=	SYM
eurjchem-2546	115	39	�	�	PROPN
eurjchem-2546	115	40	𝐾𝐾𝑦𝑦	𝐾𝐾𝑦𝑦	PROPN
eurjchem-2546	115	41	−	−	PROPN
eurjchem-2546	116	1	𝐾𝐾𝑧𝑧	𝐾𝐾𝑧𝑧	PROPN
eurjchem-2546	116	2	�	�	PROPN
eurjchem-2546	116	3	−1	−1	NOUN
eurjchem-2546	116	4	𝑟𝑟𝐾𝐾𝑧𝑧(𝜈𝜈	𝑟𝑟𝐾𝐾𝑧𝑧(𝜈𝜈	PROPN
eurjchem-2546	116	5	�	�	PROPN
eurjchem-2546	116	6	)	)	PUNCT
eurjchem-2546	117	1	=	=	SYM
eurjchem-2546	118	1	−2.273	−2.273	PROPN
eurjchem-2546	118	2	∙	∙	PROPN
eurjchem-2546	118	3	𝑟𝑟0.64(𝜈𝜈	𝑟𝑟0.64(𝜈𝜈	PROPN
eurjchem-2546	118	4	�	�	PROPN
eurjchem-2546	118	5	)	)	PUNCT
eurjchem-2546	118	6	(	(	PUNCT
eurjchem-2546	118	7	2	2	X
eurjchem-2546	118	8	)	)	PUNCT
eurjchem-2546	118	9	𝐴𝐴𝑧𝑧(𝜈𝜈	𝐴𝐴𝑧𝑧(𝜈𝜈	PROPN
eurjchem-2546	118	10	�	�	PROPN
eurjchem-2546	118	11	)	)	PUNCT
eurjchem-2546	118	12	=	=	PUNCT
eurjchem-2546	118	13	�	�	PROPN
eurjchem-2546	118	14	𝐾𝐾𝑧𝑧	𝐾𝐾𝑧𝑧	PROPN
eurjchem-2546	118	15	−	−	PROPN
eurjchem-2546	118	16	𝐾𝐾𝑦𝑦	𝐾𝐾𝑦𝑦	PROPN
eurjchem-2546	118	17	�	�	PROPN
eurjchem-2546	118	18	−1	−1	NOUN
eurjchem-2546	118	19	𝑟𝑟𝐾𝐾𝑦𝑦(𝜈𝜈	𝑟𝑟𝐾𝐾𝑦𝑦(𝜈𝜈	PROPN
eurjchem-2546	118	20	�	�	PROPN
eurjchem-2546	118	21	)	)	PUNCT
eurjchem-2546	119	1	=	=	PUNCT
eurjchem-2546	119	2	+2.273	+2.273	ADJ
eurjchem-2546	119	3	∙	∙	PROPN
eurjchem-2546	119	4	𝑟𝑟0.20(𝜈𝜈	𝑟𝑟0.20(𝜈𝜈	PROPN
eurjchem-2546	119	5	�	�	PROPN
eurjchem-2546	119	6	)	)	PUNCT
eurjchem-2546	119	7	(	(	PUNCT
eurjchem-2546	119	8	3	3	X
eurjchem-2546	119	9	)	)	PUNCT
eurjchem-2546	119	10	90	90	NUM
eurjchem-2546	119	11	nguyen	nguyen	NOUN
eurjchem-2546	119	12	et	et	PROPN
eurjchem-2546	119	13	al	al	PROPN
eurjchem-2546	119	14	.	.	PUNCT
eurjchem-2546	119	15	/	/	SYM
eurjchem-2546	119	16	european	european	PROPN
eurjchem-2546	119	17	journal	journal	PROPN
eurjchem-2546	119	18	of	of	ADP
eurjchem-2546	119	19	chemistry	chemistry	NOUN
eurjchem-2546	119	20	15	15	NUM
eurjchem-2546	119	21	(	(	PUNCT
eurjchem-2546	119	22	2	2	NUM
eurjchem-2546	119	23	)	)	PUNCT
eurjchem-2546	119	24	(	(	PUNCT
eurjchem-2546	119	25	2024	2024	NUM
eurjchem-2546	119	26	)	)	PUNCT
eurjchem-2546	119	27	87	87	NUM
eurjchem-2546	119	28	-	-	SYM
eurjchem-2546	119	29	92	92	NUM
eurjchem-2546	119	30	2024	2024	NUM
eurjchem-2546	119	31	–	–	PUNCT
eurjchem-2546	119	32	european	european	ADJ
eurjchem-2546	119	33	journal	journal	NOUN
eurjchem-2546	119	34	of	of	ADP
eurjchem-2546	119	35	chemistry	chemistry	NOUN
eurjchem-2546	119	36	–	–	PUNCT
eurjchem-2546	119	37	cc	cc	NOUN
eurjchem-2546	119	38	by	by	ADP
eurjchem-2546	119	39	nc	nc	PROPN
eurjchem-2546	119	40	–	–	PUNCT
eurjchem-2546	119	41	doi	doi	NOUN
eurjchem-2546	119	42	:	:	PUNCT
eurjchem-2546	119	43	10.5155	10.5155	NUM
eurjchem-2546	119	44	/	/	SYM
eurjchem-2546	119	45	eurjchem.15.2.87	eurjchem.15.2.87	NOUN
eurjchem-2546	119	46	-	-	PUNCT
eurjchem-2546	119	47	92.2546	92.2546	NUM
eurjchem-2546	119	48	figure	figure	NOUN
eurjchem-2546	119	49	3	3	NUM
eurjchem-2546	119	50	.	.	PUNCT
eurjchem-2546	120	1	energies	energy	NOUN
eurjchem-2546	120	2	and	and	CCONJ
eurjchem-2546	120	3	symmetries	symmetry	NOUN
eurjchem-2546	120	4	of	of	ADP
eurjchem-2546	120	5	the	the	DET
eurjchem-2546	120	6	five	five	NUM
eurjchem-2546	120	7	highest	high	ADJ
eurjchem-2546	120	8	occupied	occupy	VERB
eurjchem-2546	120	9	and	and	CCONJ
eurjchem-2546	120	10	five	five	NUM
eurjchem-2546	120	11	lowest	low	ADJ
eurjchem-2546	120	12	unoccupied	unoccupied	ADJ
eurjchem-2546	120	13	π	π	PROPN
eurjchem-2546	120	14	type	type	NOUN
eurjchem-2546	120	15	mos	mos	NOUN
eurjchem-2546	120	16	of	of	ADP
eurjchem-2546	120	17	diphenylacetylene	diphenylacetylene	PROPN
eurjchem-2546	120	18	(	(	PUNCT
eurjchem-2546	120	19	dpa	dpa	PROPN
eurjchem-2546	120	20	)	)	PUNCT
eurjchem-2546	120	21	computed	compute	VERB
eurjchem-2546	120	22	with	with	ADP
eurjchem-2546	120	23	lcoao	lcoao	NOUN
eurjchem-2546	120	24	with	with	ADP
eurjchem-2546	120	25	indication	indication	NOUN
eurjchem-2546	120	26	of	of	ADP
eurjchem-2546	120	27	orbital	orbital	ADJ
eurjchem-2546	120	28	amplitudes	amplitude	NOUN
eurjchem-2546	120	29	.	.	PUNCT
eurjchem-2546	121	1	the	the	DET
eurjchem-2546	121	2	resulting	result	VERB
eurjchem-2546	121	3	partial	partial	ADJ
eurjchem-2546	121	4	absorbance	absorbance	NOUN
eurjchem-2546	121	5	curves	curve	NOUN
eurjchem-2546	121	6	are	be	AUX
eurjchem-2546	121	7	shown	show	VERB
eurjchem-2546	121	8	in	in	ADP
eurjchem-2546	121	9	figure	figure	NOUN
eurjchem-2546	121	10	1c	1c	NOUN
eurjchem-2546	121	11	.	.	PUNCT
eurjchem-2546	122	1	inspection	inspection	NOUN
eurjchem-2546	122	2	of	of	ADP
eurjchem-2546	122	3	the	the	DET
eurjchem-2546	122	4	first	first	ADJ
eurjchem-2546	122	5	strong	strong	ADJ
eurjchem-2546	122	6	-	-	PUNCT
eurjchem-2546	122	7	band	band	NOUN
eurjchem-2546	122	8	system	system	NOUN
eurjchem-2546	122	9	(	(	PUNCT
eurjchem-2546	122	10	band	band	NOUN
eurjchem-2546	122	11	a	a	PRON
eurjchem-2546	122	12	)	)	PUNCT
eurjchem-2546	122	13	reveals	reveal	VERB
eurjchem-2546	122	14	that	that	SCONJ
eurjchem-2546	122	15	the	the	DET
eurjchem-2546	122	16	sharp	sharp	ADJ
eurjchem-2546	122	17	peaks	peak	NOUN
eurjchem-2546	122	18	in	in	ADP
eurjchem-2546	122	19	the	the	DET
eurjchem-2546	122	20	vibrational	vibrational	ADJ
eurjchem-2546	122	21	progression	progression	NOUN
eurjchem-2546	122	22	in	in	ADP
eurjchem-2546	122	23	𝐴𝐴𝑧𝑧(𝜈𝜈	𝐴𝐴𝑧𝑧(𝜈𝜈	PROPN
eurjchem-2546	122	24	�	�	PROPN
eurjchem-2546	122	25	)	)	PUNCT
eurjchem-2546	122	26	are	be	AUX
eurjchem-2546	122	27	associated	associate	VERB
eurjchem-2546	122	28	with	with	ADP
eurjchem-2546	122	29	s	s	VERB
eurjchem-2546	122	30	-	-	PUNCT
eurjchem-2546	122	31	shaped	shaped	ADJ
eurjchem-2546	122	32	“	"	PUNCT
eurjchem-2546	122	33	wiggles	wiggle	NOUN
eurjchem-2546	122	34	”	"	PUNCT
eurjchem-2546	122	35	in	in	ADP
eurjchem-2546	122	36	𝐴𝐴𝑦𝑦(𝜈𝜈	𝐴𝐴𝑦𝑦(𝜈𝜈	PROPN
eurjchem-2546	122	37	�	�	PROPN
eurjchem-2546	122	38	)	)	PUNCT
eurjchem-2546	122	39	.	.	PUNCT
eurjchem-2546	123	1	this	this	DET
eurjchem-2546	123	2	phenomenon	phenomenon	NOUN
eurjchem-2546	123	3	is	be	AUX
eurjchem-2546	123	4	often	often	ADV
eurjchem-2546	123	5	observed	observe	VERB
eurjchem-2546	123	6	in	in	ADP
eurjchem-2546	123	7	reduction	reduction	NOUN
eurjchem-2546	123	8	procedures	procedure	NOUN
eurjchem-2546	123	9	with	with	ADP
eurjchem-2546	123	10	sharp	sharp	ADJ
eurjchem-2546	123	11	peaks	peak	NOUN
eurjchem-2546	123	12	and	and	CCONJ
eurjchem-2546	123	13	can	can	AUX
eurjchem-2546	123	14	be	be	AUX
eurjchem-2546	123	15	explained	explain	VERB
eurjchem-2546	123	16	by	by	ADP
eurjchem-2546	123	17	orientation	orientation	NOUN
eurjchem-2546	123	18	-	-	PUNCT
eurjchem-2546	123	19	dependent	dependent	ADJ
eurjchem-2546	123	20	inhomogeneous	inhomogeneous	ADJ
eurjchem-2546	123	21	line	line	NOUN
eurjchem-2546	123	22	-	-	PUNCT
eurjchem-2546	123	23	broadening	broaden	VERB
eurjchem-2546	123	24	(	(	PUNCT
eurjchem-2546	123	25	different	different	ADJ
eurjchem-2546	123	26	solvent	solvent	NOUN
eurjchem-2546	123	27	effects	effect	NOUN
eurjchem-2546	123	28	for	for	ADP
eurjchem-2546	123	29	differently	differently	ADV
eurjchem-2546	123	30	oriented	orient	VERB
eurjchem-2546	123	31	solute	solute	ADJ
eurjchem-2546	123	32	molecules	molecule	NOUN
eurjchem-2546	123	33	)	)	PUNCT
eurjchem-2546	124	1	[	[	X
eurjchem-2546	124	2	17,18	17,18	NUM
eurjchem-2546	124	3	]	]	X
eurjchem-2546	124	4	.	.	PUNCT
eurjchem-2546	125	1	3.2	3.2	NUM
eurjchem-2546	125	2	.	.	PUNCT
eurjchem-2546	126	1	electronic	electronic	ADJ
eurjchem-2546	126	2	transitions	transition	NOUN
eurjchem-2546	126	3	3.2.1	3.2.1	NUM
eurjchem-2546	126	4	.	.	PUNCT
eurjchem-2546	127	1	main	main	ADJ
eurjchem-2546	127	2	bands	band	NOUN
eurjchem-2546	127	3	the	the	DET
eurjchem-2546	127	4	wavenumbers	wavenumber	NOUN
eurjchem-2546	127	5	,	,	PUNCT
eurjchem-2546	127	6	relative	relative	ADJ
eurjchem-2546	127	7	absorbance	absorbance	NOUN
eurjchem-2546	127	8	,	,	PUNCT
eurjchem-2546	127	9	and	and	CCONJ
eurjchem-2546	127	10	polarization	polarization	NOUN
eurjchem-2546	127	11	directions	direction	NOUN
eurjchem-2546	127	12	for	for	ADP
eurjchem-2546	127	13	the	the	DET
eurjchem-2546	127	14	main	main	ADJ
eurjchem-2546	127	15	band	band	NOUN
eurjchem-2546	127	16	systems	system	NOUN
eurjchem-2546	127	17	a	a	DET
eurjchem-2546	127	18	,	,	PUNCT
eurjchem-2546	127	19	b	b	PROPN
eurjchem-2546	127	20	,	,	PUNCT
eurjchem-2546	127	21	c	c	NOUN
eurjchem-2546	127	22	,	,	PUNCT
eurjchem-2546	127	23	and	and	CCONJ
eurjchem-2546	127	24	d	d	NOUN
eurjchem-2546	127	25	are	be	AUX
eurjchem-2546	127	26	listed	list	VERB
eurjchem-2546	127	27	in	in	ADP
eurjchem-2546	127	28	table	table	NOUN
eurjchem-2546	127	29	1	1	NUM
eurjchem-2546	127	30	,	,	PUNCT
eurjchem-2546	127	31	where	where	SCONJ
eurjchem-2546	127	32	they	they	PRON
eurjchem-2546	127	33	are	be	AUX
eurjchem-2546	127	34	compared	compare	VERB
eurjchem-2546	127	35	with	with	ADP
eurjchem-2546	127	36	the	the	DET
eurjchem-2546	127	37	transitions	transition	NOUN
eurjchem-2546	127	38	computed	compute	VERB
eurjchem-2546	127	39	with	with	ADP
eurjchem-2546	127	40	lcoao	lcoao	NOUN
eurjchem-2546	127	41	(	(	PUNCT
eurjchem-2546	127	42	see	see	VERB
eurjchem-2546	127	43	also	also	ADV
eurjchem-2546	127	44	figure	figure	VERB
eurjchem-2546	127	45	2	2	NUM
eurjchem-2546	127	46	and	and	CCONJ
eurjchem-2546	127	47	sup	sup	NOUN
eurjchem-2546	127	48	.	.	PUNCT
eurjchem-2546	127	49	s4	s4	PROPN
eurjchem-2546	127	50	)	)	PUNCT
eurjchem-2546	127	51	.	.	PUNCT
eurjchem-2546	128	1	the	the	DET
eurjchem-2546	128	2	spectrum	spectrum	NOUN
eurjchem-2546	128	3	starts	start	VERB
eurjchem-2546	128	4	with	with	ADP
eurjchem-2546	128	5	a	a	DET
eurjchem-2546	128	6	strong	strong	ADJ
eurjchem-2546	128	7	band	band	NOUN
eurjchem-2546	128	8	a	a	PRON
eurjchem-2546	128	9	with	with	ADP
eurjchem-2546	128	10	an	an	DET
eurjchem-2546	128	11	onset	onset	NOUN
eurjchem-2546	128	12	at	at	ADP
eurjchem-2546	128	13	33,200	33,200	NUM
eurjchem-2546	128	14	cm–1	cm–1	X
eurjchem-2546	128	15	(	(	PUNCT
eurjchem-2546	128	16	301	301	NUM
eurjchem-2546	128	17	nm	nm	NOUN
eurjchem-2546	128	18	)	)	PUNCT
eurjchem-2546	128	19	.	.	PUNCT
eurjchem-2546	129	1	it	it	PRON
eurjchem-2546	129	2	is	be	AUX
eurjchem-2546	129	3	z	z	NOUN
eurjchem-2546	129	4	-	-	PUNCT
eurjchem-2546	129	5	polarized	polarize	VERB
eurjchem-2546	129	6	and	and	CCONJ
eurjchem-2546	129	7	must	must	AUX
eurjchem-2546	129	8	be	be	AUX
eurjchem-2546	129	9	assigned	assign	VERB
eurjchem-2546	129	10	to	to	ADP
eurjchem-2546	129	11	the	the	DET
eurjchem-2546	129	12	11b1u	11b1u	NUM
eurjchem-2546	129	13	state	state	NOUN
eurjchem-2546	129	14	predicted	predict	VERB
eurjchem-2546	129	15	by	by	ADP
eurjchem-2546	129	16	lcoao	lcoao	NOUN
eurjchem-2546	129	17	at	at	ADP
eurjchem-2546	129	18	34,100	34,100	NUM
eurjchem-2546	129	19	cm–1	cm–1	X
eurjchem-2546	129	20	(	(	PUNCT
eurjchem-2546	129	21	293	293	NUM
eurjchem-2546	129	22	nm	nm	NOUN
eurjchem-2546	129	23	)	)	PUNCT
eurjchem-2546	129	24	(	(	PUNCT
eurjchem-2546	129	25	table	table	NOUN
eurjchem-2546	129	26	1	1	NUM
eurjchem-2546	129	27	)	)	PUNCT
eurjchem-2546	129	28	.	.	PUNCT
eurjchem-2546	130	1	it	it	PRON
eurjchem-2546	130	2	is	be	AUX
eurjchem-2546	130	3	well	well	ADV
eurjchem-2546	130	4	described	describe	VERB
eurjchem-2546	130	5	by	by	ADP
eurjchem-2546	130	6	the	the	DET
eurjchem-2546	130	7	homo	homo	NOUN
eurjchem-2546	130	8	-	-	PUNCT
eurjchem-2546	130	9	lumo	lumo	NOUN
eurjchem-2546	130	10	excitation	excitation	NOUN
eurjchem-2546	130	11	,	,	PUNCT
eurjchem-2546	130	12	3b3u(𝜋𝜋	3b3u(𝜋𝜋	NUM
eurjchem-2546	130	13	)	)	PUNCT
eurjchem-2546	130	14	→	→	SYM
eurjchem-2546	130	15	3b2g(𝜋𝜋	3b2g(𝜋𝜋	NUM
eurjchem-2546	130	16	*	*	NUM
eurjchem-2546	130	17	)	)	PUNCT
eurjchem-2546	130	18	(	(	PUNCT
eurjchem-2546	130	19	figure	figure	NOUN
eurjchem-2546	130	20	3	3	NUM
eurjchem-2546	130	21	)	)	PUNCT
eurjchem-2546	130	22	.	.	PUNCT
eurjchem-2546	131	1	similar	similar	ADJ
eurjchem-2546	131	2	results	result	NOUN
eurjchem-2546	131	3	are	be	AUX
eurjchem-2546	131	4	obtained	obtain	VERB
eurjchem-2546	131	5	with	with	ADP
eurjchem-2546	131	6	td	td	NOUN
eurjchem-2546	131	7	–	–	PUNCT
eurjchem-2546	131	8	cam	cam	NOUN
eurjchem-2546	131	9	-	-	PUNCT
eurjchem-2546	131	10	b3lyp	b3lyp	NOUN
eurjchem-2546	131	11	(	(	PUNCT
eurjchem-2546	131	12	table	table	NOUN
eurjchem-2546	131	13	2	2	NUM
eurjchem-2546	131	14	)	)	PUNCT
eurjchem-2546	131	15	.	.	PUNCT
eurjchem-2546	132	1	the	the	DET
eurjchem-2546	132	2	next	next	ADJ
eurjchem-2546	132	3	band	band	NOUN
eurjchem-2546	132	4	b	b	NOUN
eurjchem-2546	132	5	with	with	ADP
eurjchem-2546	132	6	an	an	DET
eurjchem-2546	132	7	onset	onset	NOUN
eurjchem-2546	132	8	at	at	ADP
eurjchem-2546	132	9	44,400	44,400	NUM
eurjchem-2546	132	10	cm–1	cm–1	X
eurjchem-2546	132	11	(	(	PUNCT
eurjchem-2546	132	12	225	225	NUM
eurjchem-2546	132	13	nm	nm	NOUN
eurjchem-2546	132	14	)	)	PUNCT
eurjchem-2546	132	15	has	have	VERB
eurjchem-2546	132	16	a	a	DET
eurjchem-2546	132	17	partly	partly	ADV
eurjchem-2546	132	18	resolved	resolve	VERB
eurjchem-2546	132	19	vibrational	vibrational	ADJ
eurjchem-2546	132	20	fine	fine	ADJ
eurjchem-2546	132	21	structure	structure	NOUN
eurjchem-2546	132	22	and	and	CCONJ
eurjchem-2546	132	23	a	a	DET
eurjchem-2546	132	24	long	long	ADJ
eurjchem-2546	132	25	and	and	CCONJ
eurjchem-2546	132	26	diffuse	diffuse	VERB
eurjchem-2546	132	27	tail	tail	NOUN
eurjchem-2546	132	28	towards	towards	ADP
eurjchem-2546	132	29	larger	large	ADJ
eurjchem-2546	132	30	wavenumbers	wavenumber	NOUN
eurjchem-2546	132	31	,	,	PUNCT
eurjchem-2546	132	32	overlapping	overlap	VERB
eurjchem-2546	132	33	the	the	DET
eurjchem-2546	132	34	bands	band	NOUN
eurjchem-2546	132	35	c	c	PROPN
eurjchem-2546	132	36	and	and	CCONJ
eurjchem-2546	132	37	d.	d.	PROPN
eurjchem-2546	132	38	it	it	PRON
eurjchem-2546	132	39	is	be	AUX
eurjchem-2546	132	40	y	y	NOUN
eurjchem-2546	132	41	-	-	PUNCT
eurjchem-2546	132	42	polarized	polarize	VERB
eurjchem-2546	132	43	and	and	CCONJ
eurjchem-2546	132	44	can	can	AUX
eurjchem-2546	132	45	be	be	AUX
eurjchem-2546	132	46	assigned	assign	VERB
eurjchem-2546	132	47	to	to	ADP
eurjchem-2546	132	48	the	the	DET
eurjchem-2546	132	49	21b2u	21b2u	NUM
eurjchem-2546	132	50	state	state	NOUN
eurjchem-2546	132	51	computed	compute	VERB
eurjchem-2546	132	52	by	by	ADP
eurjchem-2546	132	53	lcoao	lcoao	NOUN
eurjchem-2546	132	54	at	at	ADP
eurjchem-2546	132	55	48,700	48,700	NUM
eurjchem-2546	132	56	cm–1	cm–1	X
eurjchem-2546	132	57	(	(	PUNCT
eurjchem-2546	132	58	205	205	NUM
eurjchem-2546	132	59	nm	nm	NOUN
eurjchem-2546	132	60	)	)	PUNCT
eurjchem-2546	132	61	.	.	PUNCT
eurjchem-2546	133	1	this	this	DET
eurjchem-2546	133	2	transition	transition	NOUN
eurjchem-2546	133	3	is	be	AUX
eurjchem-2546	133	4	essentially	essentially	ADV
eurjchem-2546	133	5	due	due	ADJ
eurjchem-2546	133	6	to	to	ADP
eurjchem-2546	133	7	the	the	DET
eurjchem-2546	133	8	promotions	promotion	NOUN
eurjchem-2546	133	9	1au(𝜋𝜋	1au(𝜋𝜋	NUM
eurjchem-2546	133	10	)	)	PUNCT
eurjchem-2546	133	11	→	→	SYM
eurjchem-2546	133	12	3b2g(𝜋𝜋	3b2g(𝜋𝜋	NUM
eurjchem-2546	133	13	*	*	PUNCT
eurjchem-2546	133	14	)	)	PUNCT
eurjchem-2546	133	15	and	and	CCONJ
eurjchem-2546	133	16	3b3u(𝜋𝜋	3b3u(𝜋𝜋	NUM
eurjchem-2546	133	17	)	)	PUNCT
eurjchem-2546	133	18	→	→	PUNCT
eurjchem-2546	133	19	2b1g(𝜋𝜋	2b1g(𝜋𝜋	NUM
eurjchem-2546	133	20	*	*	NUM
eurjchem-2546	133	21	)	)	PUNCT
eurjchem-2546	133	22	(	(	PUNCT
eurjchem-2546	133	23	shomo	shomo	NOUN
eurjchem-2546	133	24	-	-	PUNCT
eurjchem-2546	133	25	lumo	lumo	NOUN
eurjchem-2546	133	26	and	and	CCONJ
eurjchem-2546	133	27	homoslumo	homoslumo	ADJ
eurjchem-2546	133	28	)	)	PUNCT
eurjchem-2546	133	29	.	.	PUNCT
eurjchem-2546	134	1	very	very	ADV
eurjchem-2546	134	2	similar	similar	ADJ
eurjchem-2546	134	3	results	result	NOUN
eurjchem-2546	134	4	are	be	AUX
eurjchem-2546	134	5	predicted	predict	VERB
eurjchem-2546	134	6	with	with	ADP
eurjchem-2546	134	7	td	td	NOUN
eurjchem-2546	134	8	-	-	PUNCT
eurjchem-2546	134	9	camb3lyp	camb3lyp	X
eurjchem-2546	134	10	(	(	PUNCT
eurjchem-2546	134	11	table	table	NOUN
eurjchem-2546	134	12	2	2	NUM
eurjchem-2546	134	13	)	)	PUNCT
eurjchem-2546	134	14	.	.	PUNCT
eurjchem-2546	135	1	the	the	DET
eurjchem-2546	135	2	wavenumber	wavenumber	NOUN
eurjchem-2546	135	3	of	of	ADP
eurjchem-2546	135	4	this	this	DET
eurjchem-2546	135	5	transition	transition	NOUN
eurjchem-2546	135	6	is	be	AUX
eurjchem-2546	135	7	somewhat	somewhat	ADV
eurjchem-2546	135	8	overestimated	overestimate	VERB
eurjchem-2546	135	9	by	by	ADP
eurjchem-2546	135	10	the	the	DET
eurjchem-2546	135	11	present	present	ADJ
eurjchem-2546	135	12	calculations	calculation	NOUN
eurjchem-2546	135	13	.	.	PUNCT
eurjchem-2546	136	1	a	a	DET
eurjchem-2546	136	2	corresponding	corresponding	ADJ
eurjchem-2546	136	3	situation	situation	NOUN
eurjchem-2546	136	4	was	be	AUX
eurjchem-2546	136	5	observed	observe	VERB
eurjchem-2546	136	6	for	for	ADP
eurjchem-2546	136	7	(	(	PUNCT
eurjchem-2546	136	8	e)-1,2	e)-1,2	ADJ
eurjchem-2546	136	9	-	-	PUNCT
eurjchem-2546	136	10	diphenylethene	diphenylethene	NOUN
eurjchem-2546	136	11	(	(	PUNCT
eurjchem-2546	136	12	trans	trans	NOUN
eurjchem-2546	136	13	-	-	NOUN
eurjchem-2546	136	14	stilbene	stilbene	NOUN
eurjchem-2546	136	15	)	)	PUNCT
eurjchem-2546	136	16	,	,	PUNCT
eurjchem-2546	136	17	which	which	PRON
eurjchem-2546	136	18	is	be	AUX
eurjchem-2546	136	19	π	π	PROPN
eurjchem-2546	136	20	iso	iso	NOUN
eurjchem-2546	136	21	-	-	PUNCT
eurjchem-2546	136	22	electronic	electronic	ADJ
eurjchem-2546	136	23	with	with	ADP
eurjchem-2546	136	24	dpa	dpa	PROPN
eurjchem-2546	136	25	[	[	X
eurjchem-2546	136	26	44	44	NUM
eurjchem-2546	136	27	]	]	PUNCT
eurjchem-2546	136	28	.	.	PUNCT
eurjchem-2546	137	1	band	band	PROPN
eurjchem-2546	137	2	c	c	PROPN
eurjchem-2546	137	3	has	have	VERB
eurjchem-2546	137	4	a	a	DET
eurjchem-2546	137	5	broad	broad	ADJ
eurjchem-2546	137	6	z	z	ADV
eurjchem-2546	137	7	-	-	PUNCT
eurjchem-2546	137	8	polarized	polarize	VERB
eurjchem-2546	137	9	maximum	maximum	NOUN
eurjchem-2546	137	10	around	around	ADP
eurjchem-2546	137	11	51,000	51,000	NUM
eurjchem-2546	137	12	cm–1	cm–1	X
eurjchem-2546	137	13	(	(	PUNCT
eurjchem-2546	137	14	196	196	NUM
eurjchem-2546	137	15	nm	nm	NOUN
eurjchem-2546	137	16	)	)	PUNCT
eurjchem-2546	137	17	.	.	PUNCT
eurjchem-2546	138	1	it	it	PRON
eurjchem-2546	138	2	is	be	AUX
eurjchem-2546	138	3	easily	easily	ADV
eurjchem-2546	138	4	assigned	assign	VERB
eurjchem-2546	138	5	to	to	ADP
eurjchem-2546	138	6	the	the	DET
eurjchem-2546	138	7	21b1u	21b1u	PROPN
eurjchem-2546	138	8	state	state	NOUN
eurjchem-2546	138	9	predicted	predict	VERB
eurjchem-2546	138	10	by	by	ADP
eurjchem-2546	138	11	lcoao	lcoao	NOUN
eurjchem-2546	138	12	at	at	ADP
eurjchem-2546	138	13	52,200	52,200	NUM
eurjchem-2546	138	14	cm–1	cm–1	X
eurjchem-2546	138	15	(	(	PUNCT
eurjchem-2546	138	16	192	192	NUM
eurjchem-2546	138	17	nm	nm	NOUN
eurjchem-2546	138	18	)	)	PUNCT
eurjchem-2546	138	19	(	(	PUNCT
eurjchem-2546	138	20	table	table	NOUN
eurjchem-2546	138	21	1	1	NUM
eurjchem-2546	138	22	)	)	PUNCT
eurjchem-2546	138	23	,	,	PUNCT
eurjchem-2546	138	24	primarily	primarily	ADV
eurjchem-2546	138	25	involving	involve	VERB
eurjchem-2546	138	26	the	the	DET
eurjchem-2546	138	27	orbitals	orbital	NOUN
eurjchem-2546	138	28	next	next	ADJ
eurjchem-2546	138	29	to	to	ADP
eurjchem-2546	138	30	the	the	DET
eurjchem-2546	138	31	frontier	frontier	NOUN
eurjchem-2546	138	32	region	region	NOUN
eurjchem-2546	138	33	:	:	PUNCT
eurjchem-2546	138	34	1au(𝜋𝜋	1au(𝜋𝜋	NUM
eurjchem-2546	138	35	)	)	PUNCT
eurjchem-2546	138	36	→	→	SYM
eurjchem-2546	138	37	2b1g(𝜋𝜋	2b1g(𝜋𝜋	NUM
eurjchem-2546	138	38	*	*	NUM
eurjchem-2546	138	39	)	)	PUNCT
eurjchem-2546	138	40	and	and	CCONJ
eurjchem-2546	138	41	1b1g(𝜋𝜋	1b1g(𝜋𝜋	NUM
eurjchem-2546	138	42	)	)	PUNCT
eurjchem-2546	138	43	→	→	PUNCT
eurjchem-2546	138	44	2au(𝜋𝜋	2au(𝜋𝜋	PROPN
eurjchem-2546	138	45	*	*	NUM
eurjchem-2546	138	46	)	)	PUNCT
eurjchem-2546	138	47	(	(	PUNCT
eurjchem-2546	138	48	figure	figure	NOUN
eurjchem-2546	138	49	3	3	NUM
eurjchem-2546	138	50	)	)	PUNCT
eurjchem-2546	138	51	.	.	PUNCT
eurjchem-2546	139	1	again	again	ADV
eurjchem-2546	139	2	,	,	PUNCT
eurjchem-2546	139	3	the	the	DET
eurjchem-2546	139	4	results	result	NOUN
eurjchem-2546	139	5	are	be	AUX
eurjchem-2546	139	6	consistent	consistent	ADJ
eurjchem-2546	139	7	with	with	ADP
eurjchem-2546	139	8	those	those	PRON
eurjchem-2546	139	9	obtained	obtain	VERB
eurjchem-2546	139	10	with	with	ADP
eurjchem-2546	139	11	td	td	NOUN
eurjchem-2546	139	12	–	–	PUNCT
eurjchem-2546	139	13	cam	cam	NOUN
eurjchem-2546	139	14	-	-	PUNCT
eurjchem-2546	139	15	b3lyp	b3lyp	NOUN
eurjchem-2546	139	16	(	(	PUNCT
eurjchem-2546	139	17	table	table	NOUN
eurjchem-2546	139	18	2	2	NUM
eurjchem-2546	139	19	)	)	PUNCT
eurjchem-2546	139	20	.	.	PUNCT
eurjchem-2546	140	1	nguyen	nguyen	PROPN
eurjchem-2546	140	2	et	et	PROPN
eurjchem-2546	140	3	al	al	PROPN
eurjchem-2546	140	4	.	.	PUNCT
eurjchem-2546	140	5	/	/	SYM
eurjchem-2546	140	6	european	european	PROPN
eurjchem-2546	140	7	journal	journal	PROPN
eurjchem-2546	140	8	of	of	ADP
eurjchem-2546	140	9	chemistry	chemistry	NOUN
eurjchem-2546	140	10	15	15	NUM
eurjchem-2546	140	11	(	(	PUNCT
eurjchem-2546	140	12	2	2	NUM
eurjchem-2546	140	13	)	)	PUNCT
eurjchem-2546	140	14	(	(	PUNCT
eurjchem-2546	140	15	2024	2024	NUM
eurjchem-2546	140	16	)	)	PUNCT
eurjchem-2546	140	17	87	87	NUM
eurjchem-2546	140	18	-	-	SYM
eurjchem-2546	140	19	92	92	NUM
eurjchem-2546	140	20	91	91	NUM
eurjchem-2546	140	21	2024	2024	NUM
eurjchem-2546	140	22	–	–	PUNCT
eurjchem-2546	140	23	european	european	ADJ
eurjchem-2546	140	24	journal	journal	NOUN
eurjchem-2546	140	25	of	of	ADP
eurjchem-2546	140	26	chemistry	chemistry	NOUN
eurjchem-2546	140	27	–	–	PUNCT
eurjchem-2546	140	28	cc	cc	NOUN
eurjchem-2546	140	29	by	by	ADP
eurjchem-2546	140	30	nc	nc	PROPN
eurjchem-2546	140	31	–	–	PUNCT
eurjchem-2546	140	32	doi	doi	NOUN
eurjchem-2546	140	33	:	:	PUNCT
eurjchem-2546	140	34	10.5155	10.5155	NUM
eurjchem-2546	140	35	/	/	SYM
eurjchem-2546	140	36	eurjchem.15.2.87	eurjchem.15.2.87	PROPN
eurjchem-2546	140	37	-	-	PUNCT
eurjchem-2546	140	38	92.2546	92.2546	NUM
eurjchem-2546	140	39	the	the	DET
eurjchem-2546	140	40	band	band	NOUN
eurjchem-2546	141	1	d	d	ADP
eurjchem-2546	141	2	peaking	peak	VERB
eurjchem-2546	141	3	at	at	ADP
eurjchem-2546	141	4	57,100	57,100	NUM
eurjchem-2546	141	5	cm–1	cm–1	PROPN
eurjchem-2546	141	6	(	(	PUNCT
eurjchem-2546	141	7	175	175	NUM
eurjchem-2546	141	8	nm	nm	NOUN
eurjchem-2546	141	9	)	)	PUNCT
eurjchem-2546	141	10	in	in	ADP
eurjchem-2546	141	11	the	the	DET
eurjchem-2546	141	12	vacuum	vacuum	NOUN
eurjchem-2546	141	13	uv	uv	NOUN
eurjchem-2546	141	14	region	region	NOUN
eurjchem-2546	141	15	is	be	AUX
eurjchem-2546	141	16	predominantly	predominantly	ADV
eurjchem-2546	141	17	y	y	NOUN
eurjchem-2546	141	18	-	-	PUNCT
eurjchem-2546	141	19	polarized	polarize	VERB
eurjchem-2546	141	20	.	.	PUNCT
eurjchem-2546	142	1	it	it	PRON
eurjchem-2546	142	2	can	can	AUX
eurjchem-2546	142	3	possibly	possibly	ADV
eurjchem-2546	142	4	be	be	AUX
eurjchem-2546	142	5	assigned	assign	VERB
eurjchem-2546	142	6	to	to	ADP
eurjchem-2546	142	7	the	the	DET
eurjchem-2546	142	8	41b2u	41b2u	NOUN
eurjchem-2546	142	9	state	state	NOUN
eurjchem-2546	142	10	predicted	predict	VERB
eurjchem-2546	142	11	by	by	ADP
eurjchem-2546	142	12	lcoao	lcoao	PROPN
eurjchem-2546	142	13	at	at	ADP
eurjchem-2546	142	14	60,800	60,800	NUM
eurjchem-2546	142	15	cm–1	cm–1	X
eurjchem-2546	142	16	(	(	PUNCT
eurjchem-2546	142	17	164	164	NUM
eurjchem-2546	142	18	nm	nm	NOUN
eurjchem-2546	142	19	)	)	PUNCT
eurjchem-2546	142	20	(	(	PUNCT
eurjchem-2546	142	21	table	table	NOUN
eurjchem-2546	142	22	1	1	NUM
eurjchem-2546	142	23	)	)	PUNCT
eurjchem-2546	142	24	.	.	PUNCT
eurjchem-2546	143	1	with	with	ADP
eurjchem-2546	143	2	the	the	DET
eurjchem-2546	143	3	aug	aug	PROPN
eurjchem-2546	143	4	-	-	PUNCT
eurjchem-2546	143	5	cc	cc	NOUN
eurjchem-2546	143	6	-	-	NOUN
eurjchem-2546	143	7	pvtz	pvtz	NOUN
eurjchem-2546	143	8	basis	basis	NOUN
eurjchem-2546	143	9	set	set	NOUN
eurjchem-2546	143	10	,	,	PUNCT
eurjchem-2546	143	11	td	td	ADV
eurjchem-2546	143	12	–	–	PUNCT
eurjchem-2546	143	13	camb3lyp	camb3lyp	NOUN
eurjchem-2546	143	14	introduces	introduce	VERB
eurjchem-2546	143	15	additional	additional	ADJ
eurjchem-2546	143	16	states	state	NOUN
eurjchem-2546	143	17	in	in	ADP
eurjchem-2546	143	18	this	this	DET
eurjchem-2546	143	19	region	region	NOUN
eurjchem-2546	143	20	;	;	PUNCT
eurjchem-2546	143	21	the	the	DET
eurjchem-2546	143	22	41b2u	41b2u	NOUN
eurjchem-2546	143	23	state	state	NOUN
eurjchem-2546	143	24	predicted	predict	VERB
eurjchem-2546	143	25	by	by	ADP
eurjchem-2546	143	26	lcoao	lcoao	NOUN
eurjchem-2546	143	27	therefore	therefore	ADV
eurjchem-2546	143	28	corresponds	correspond	VERB
eurjchem-2546	143	29	to	to	ADP
eurjchem-2546	143	30	the	the	DET
eurjchem-2546	143	31	51b2u	51b2u	ADJ
eurjchem-2546	143	32	state	state	NOUN
eurjchem-2546	143	33	computed	compute	VERB
eurjchem-2546	143	34	with	with	ADP
eurjchem-2546	143	35	td	td	NOUN
eurjchem-2546	143	36	-	-	PUNCT
eurjchem-2546	143	37	cam	cam	NOUN
eurjchem-2546	143	38	-	-	PUNCT
eurjchem-2546	143	39	b3lyp	b3lyp	NOUN
eurjchem-2546	143	40	at	at	ADP
eurjchem-2546	143	41	61,000	61,000	NUM
eurjchem-2546	143	42	cm–1	cm–1	X
eurjchem-2546	143	43	(	(	PUNCT
eurjchem-2546	143	44	164	164	NUM
eurjchem-2546	143	45	nm	nm	NOUN
eurjchem-2546	143	46	)	)	PUNCT
eurjchem-2546	143	47	(	(	PUNCT
eurjchem-2546	143	48	table	table	NOUN
eurjchem-2546	143	49	2	2	NUM
eurjchem-2546	143	50	)	)	PUNCT
eurjchem-2546	143	51	.	.	PUNCT
eurjchem-2546	144	1	but	but	CCONJ
eurjchem-2546	144	2	td	td	ADV
eurjchem-2546	144	3	–	–	PUNCT
eurjchem-2546	144	4	cam	cam	NOUN
eurjchem-2546	144	5	-	-	PUNCT
eurjchem-2546	144	6	b3lyp	b3lyp	NOUN
eurjchem-2546	144	7	predicts	predict	VERB
eurjchem-2546	144	8	a	a	DET
eurjchem-2546	144	9	strong	strong	ADJ
eurjchem-2546	144	10	z	z	ADV
eurjchem-2546	144	11	-	-	PUNCT
eurjchem-2546	144	12	polarized	polarize	VERB
eurjchem-2546	144	13	transition	transition	NOUN
eurjchem-2546	144	14	at	at	ADP
eurjchem-2546	144	15	58,300	58,300	NUM
eurjchem-2546	144	16	cm–1	cm–1	NOUN
eurjchem-2546	144	17	(	(	PUNCT
eurjchem-2546	144	18	172	172	NUM
eurjchem-2546	144	19	nm	nm	NOUN
eurjchem-2546	144	20	)	)	PUNCT
eurjchem-2546	144	21	,	,	PUNCT
eurjchem-2546	144	22	which	which	PRON
eurjchem-2546	144	23	seems	seem	VERB
eurjchem-2546	144	24	in	in	ADP
eurjchem-2546	144	25	poor	poor	ADJ
eurjchem-2546	144	26	agreement	agreement	NOUN
eurjchem-2546	144	27	with	with	ADP
eurjchem-2546	144	28	the	the	DET
eurjchem-2546	144	29	observed	observe	VERB
eurjchem-2546	144	30	spectrum	spectrum	NOUN
eurjchem-2546	144	31	(	(	PUNCT
eurjchem-2546	144	32	sup	sup	NOUN
eurjchem-2546	144	33	.	.	PUNCT
eurjchem-2546	144	34	s2	s2	PROPN
eurjchem-2546	144	35	)	)	PUNCT
eurjchem-2546	144	36	.	.	PUNCT
eurjchem-2546	145	1	in	in	ADP
eurjchem-2546	145	2	any	any	DET
eurjchem-2546	145	3	case	case	NOUN
eurjchem-2546	145	4	,	,	PUNCT
eurjchem-2546	145	5	the	the	DET
eurjchem-2546	145	6	theoretical	theoretical	ADJ
eurjchem-2546	145	7	prediction	prediction	NOUN
eurjchem-2546	145	8	of	of	ADP
eurjchem-2546	145	9	electronic	electronic	ADJ
eurjchem-2546	145	10	states	state	NOUN
eurjchem-2546	145	11	in	in	ADP
eurjchem-2546	145	12	the	the	DET
eurjchem-2546	145	13	vacuum	vacuum	NOUN
eurjchem-2546	145	14	uv	uv	NOUN
eurjchem-2546	145	15	is	be	AUX
eurjchem-2546	145	16	difficult	difficult	ADJ
eurjchem-2546	145	17	,	,	PUNCT
eurjchem-2546	145	18	and	and	CCONJ
eurjchem-2546	145	19	the	the	DET
eurjchem-2546	145	20	suggested	suggest	VERB
eurjchem-2546	145	21	assignment	assignment	NOUN
eurjchem-2546	145	22	of	of	ADP
eurjchem-2546	145	23	the	the	DET
eurjchem-2546	145	24	absorbance	absorbance	NOUN
eurjchem-2546	145	25	observed	observe	VERB
eurjchem-2546	145	26	in	in	ADP
eurjchem-2546	145	27	this	this	DET
eurjchem-2546	145	28	region	region	NOUN
eurjchem-2546	145	29	must	must	AUX
eurjchem-2546	145	30	be	be	AUX
eurjchem-2546	145	31	considered	consider	VERB
eurjchem-2546	145	32	as	as	ADP
eurjchem-2546	145	33	tentative	tentative	NOUN
eurjchem-2546	145	34	.	.	PUNCT
eurjchem-2546	146	1	3.2.2	3.2.2	NUM
eurjchem-2546	146	2	.	.	PUNCT
eurjchem-2546	146	3	additional	additional	ADJ
eurjchem-2546	146	4	transitions	transition	NOUN
eurjchem-2546	146	5	much	much	ADJ
eurjchem-2546	146	6	attention	attention	NOUN
eurjchem-2546	146	7	has	have	AUX
eurjchem-2546	146	8	been	be	AUX
eurjchem-2546	146	9	devoted	devote	VERB
eurjchem-2546	146	10	to	to	ADP
eurjchem-2546	146	11	the	the	DET
eurjchem-2546	146	12	11au	11au	ADJ
eurjchem-2546	146	13	state	state	NOUN
eurjchem-2546	146	14	of	of	ADP
eurjchem-2546	146	15	dpa	dpa	NOUN
eurjchem-2546	146	16	which	which	PRON
eurjchem-2546	146	17	is	be	AUX
eurjchem-2546	146	18	of	of	ADP
eurjchem-2546	146	19	prime	prime	ADJ
eurjchem-2546	146	20	importance	importance	NOUN
eurjchem-2546	146	21	in	in	ADP
eurjchem-2546	146	22	the	the	DET
eurjchem-2546	146	23	photochemistry	photochemistry	NOUN
eurjchem-2546	146	24	of	of	ADP
eurjchem-2546	146	25	the	the	DET
eurjchem-2546	146	26	compound	compound	NOUN
eurjchem-2546	147	1	[	[	X
eurjchem-2546	147	2	6	6	NUM
eurjchem-2546	147	3	-	-	SYM
eurjchem-2546	147	4	13	13	NUM
eurjchem-2546	147	5	]	]	PUNCT
eurjchem-2546	147	6	.	.	PUNCT
eurjchem-2546	148	1	td	td	ADJ
eurjchem-2546	148	2	–	–	PUNCT
eurjchem-2546	148	3	cam	cam	NOUN
eurjchem-2546	148	4	-	-	PUNCT
eurjchem-2546	148	5	b3lyp	b3lyp	NOUN
eurjchem-2546	148	6	predicts	predict	VERB
eurjchem-2546	148	7	this	this	DET
eurjchem-2546	148	8	state	state	NOUN
eurjchem-2546	148	9	at	at	ADP
eurjchem-2546	148	10	42,500	42,500	NUM
eurjchem-2546	148	11	cm–1	cm–1	PROPN
eurjchem-2546	148	12	(	(	PUNCT
eurjchem-2546	148	13	235	235	NUM
eurjchem-2546	148	14	nm	nm	NOUN
eurjchem-2546	148	15	)	)	PUNCT
eurjchem-2546	148	16	(	(	PUNCT
eurjchem-2546	148	17	table	table	NOUN
eurjchem-2546	148	18	2	2	NUM
eurjchem-2546	148	19	)	)	PUNCT
eurjchem-2546	148	20	primarily	primarily	ADV
eurjchem-2546	148	21	due	due	ADP
eurjchem-2546	148	22	to	to	ADP
eurjchem-2546	148	23	the	the	DET
eurjchem-2546	148	24	promotion	promotion	NOUN
eurjchem-2546	148	25	8b2u(𝜋𝜋c≡c	8b2u(𝜋𝜋c≡c	NUM
eurjchem-2546	148	26	)	)	PUNCT
eurjchem-2546	149	1	→	→	SYM
eurjchem-2546	149	2	3b2g(𝜋𝜋	3b2g(𝜋𝜋	NUM
eurjchem-2546	149	3	*	*	NUM
eurjchem-2546	149	4	)	)	PUNCT
eurjchem-2546	149	5	,	,	PUNCT
eurjchem-2546	149	6	where	where	SCONJ
eurjchem-2546	149	7	𝜋𝜋c≡c	𝜋𝜋c≡c	PROPN
eurjchem-2546	149	8	indicates	indicate	VERB
eurjchem-2546	149	9	the	the	DET
eurjchem-2546	149	10	in	in	ADP
eurjchem-2546	149	11	-	-	PUNCT
eurjchem-2546	149	12	plane	plane	NOUN
eurjchem-2546	149	13	π	π	PROPN
eurjchem-2546	149	14	component	component	NOUN
eurjchem-2546	149	15	of	of	ADP
eurjchem-2546	149	16	the	the	DET
eurjchem-2546	149	17	triple	triple	ADJ
eurjchem-2546	149	18	-	-	PUNCT
eurjchem-2546	149	19	bond	bond	NOUN
eurjchem-2546	149	20	.	.	PUNCT
eurjchem-2546	150	1	in	in	ADP
eurjchem-2546	150	2	ground	ground	NOUN
eurjchem-2546	150	3	state	state	NOUN
eurjchem-2546	150	4	absorption	absorption	NOUN
eurjchem-2546	150	5	spectroscopy	spectroscopy	NOUN
eurjchem-2546	150	6	,	,	PUNCT
eurjchem-2546	150	7	the	the	DET
eurjchem-2546	150	8	state	state	NOUN
eurjchem-2546	150	9	is	be	AUX
eurjchem-2546	150	10	optically	optically	ADV
eurjchem-2546	150	11	forbidden	forbid	VERB
eurjchem-2546	150	12	in	in	ADP
eurjchem-2546	150	13	the	the	DET
eurjchem-2546	150	14	d2h	d2h	PROPN
eurjchem-2546	150	15	point	point	NOUN
eurjchem-2546	150	16	group	group	NOUN
eurjchem-2546	150	17	,	,	PUNCT
eurjchem-2546	150	18	but	but	CCONJ
eurjchem-2546	150	19	it	it	PRON
eurjchem-2546	150	20	gains	gain	VERB
eurjchem-2546	150	21	intensity	intensity	NOUN
eurjchem-2546	150	22	in	in	ADP
eurjchem-2546	150	23	distorted	distorted	ADJ
eurjchem-2546	150	24	conformations	conformation	NOUN
eurjchem-2546	150	25	.	.	PUNCT
eurjchem-2546	151	1	comparison	comparison	NOUN
eurjchem-2546	151	2	with	with	ADP
eurjchem-2546	151	3	the	the	DET
eurjchem-2546	151	4	optical	optical	ADJ
eurjchem-2546	151	5	properties	property	NOUN
eurjchem-2546	151	6	of	of	ADP
eurjchem-2546	151	7	the	the	DET
eurjchem-2546	151	8	“	"	PUNCT
eurjchem-2546	151	9	molecular	molecular	ADJ
eurjchem-2546	151	10	rotor	rotor	NOUN
eurjchem-2546	151	11	”	"	PUNCT
eurjchem-2546	151	12	diphenyldiacetylene	diphenyldiacetylene	NOUN
eurjchem-2546	151	13	(	(	PUNCT
eurjchem-2546	151	14	dpda	dpda	NOUN
eurjchem-2546	151	15	,	,	PUNCT
eurjchem-2546	151	16	scheme	scheme	NOUN
eurjchem-2546	151	17	1	1	NUM
eurjchem-2546	151	18	)	)	PUNCT
eurjchem-2546	151	19	seems	seem	VERB
eurjchem-2546	151	20	relevant	relevant	ADJ
eurjchem-2546	151	21	[	[	X
eurjchem-2546	151	22	15	15	NUM
eurjchem-2546	151	23	]	]	PUNCT
eurjchem-2546	151	24	.	.	PUNCT
eurjchem-2546	152	1	apart	apart	ADV
eurjchem-2546	152	2	from	from	ADP
eurjchem-2546	152	3	the	the	DET
eurjchem-2546	152	4	11b1u	11b1u	NUM
eurjchem-2546	152	5	state	state	NOUN
eurjchem-2546	152	6	responsible	responsible	ADJ
eurjchem-2546	152	7	for	for	ADP
eurjchem-2546	152	8	band	band	NOUN
eurjchem-2546	152	9	a	a	PRON
eurjchem-2546	152	10	,	,	PUNCT
eurjchem-2546	152	11	the	the	DET
eurjchem-2546	152	12	lowest	low	ADJ
eurjchem-2546	152	13	optically	optically	ADV
eurjchem-2546	152	14	allowed	allow	VERB
eurjchem-2546	152	15	state	state	NOUN
eurjchem-2546	152	16	is	be	AUX
eurjchem-2546	152	17	predicted	predict	VERB
eurjchem-2546	152	18	to	to	PART
eurjchem-2546	152	19	be	be	AUX
eurjchem-2546	152	20	11b2u	11b2u	ADJ
eurjchem-2546	152	21	.	.	PUNCT
eurjchem-2546	153	1	lcoao	lcoao	NOUN
eurjchem-2546	153	2	and	and	CCONJ
eurjchem-2546	153	3	td	td	NOUN
eurjchem-2546	153	4	-	-	PUNCT
eurjchem-2546	153	5	cam	cam	NOUN
eurjchem-2546	153	6	-	-	PUNCT
eurjchem-2546	153	7	b3lyp	b3lyp	NOUN
eurjchem-2546	153	8	predict	predict	VERB
eurjchem-2546	153	9	this	this	DET
eurjchem-2546	153	10	state	state	NOUN
eurjchem-2546	153	11	at	at	ADP
eurjchem-2546	153	12	36,700	36,700	NUM
eurjchem-2546	153	13	cm–1	cm–1	X
eurjchem-2546	153	14	(	(	PUNCT
eurjchem-2546	153	15	272	272	NUM
eurjchem-2546	153	16	nm	nm	NOUN
eurjchem-2546	153	17	)	)	PUNCT
eurjchem-2546	153	18	and	and	CCONJ
eurjchem-2546	153	19	40,900	40,900	NUM
eurjchem-2546	153	20	cm–1	cm–1	X
eurjchem-2546	153	21	(	(	PUNCT
eurjchem-2546	153	22	244	244	NUM
eurjchem-2546	153	23	nm	nm	NOUN
eurjchem-2546	153	24	)	)	PUNCT
eurjchem-2546	153	25	,	,	PUNCT
eurjchem-2546	153	26	respectively	respectively	ADV
eurjchem-2546	153	27	(	(	PUNCT
eurjchem-2546	153	28	tables	table	NOUN
eurjchem-2546	153	29	1	1	NUM
eurjchem-2546	153	30	and	and	CCONJ
eurjchem-2546	153	31	2	2	NUM
eurjchem-2546	153	32	)	)	PUNCT
eurjchem-2546	153	33	.	.	PUNCT
eurjchem-2546	154	1	the	the	DET
eurjchem-2546	154	2	leading	lead	VERB
eurjchem-2546	154	3	configurations	configuration	NOUN
eurjchem-2546	154	4	are	be	AUX
eurjchem-2546	154	5	1au(𝜋𝜋	1au(𝜋𝜋	NUM
eurjchem-2546	154	6	)	)	PUNCT
eurjchem-2546	154	7	→	→	SYM
eurjchem-2546	154	8	3b2g(𝜋𝜋	3b2g(𝜋𝜋	NUM
eurjchem-2546	154	9	*	*	PUNCT
eurjchem-2546	154	10	)	)	PUNCT
eurjchem-2546	154	11	and	and	CCONJ
eurjchem-2546	154	12	3b3u(𝜋𝜋	3b3u(𝜋𝜋	NUM
eurjchem-2546	154	13	)	)	PUNCT
eurjchem-2546	154	14	→	→	PUNCT
eurjchem-2546	154	15	2b1g(𝜋𝜋	2b1g(𝜋𝜋	NUM
eurjchem-2546	154	16	*	*	NOUN
eurjchem-2546	154	17	)	)	PUNCT
eurjchem-2546	154	18	,	,	PUNCT
eurjchem-2546	154	19	similar	similar	ADJ
eurjchem-2546	154	20	to	to	ADP
eurjchem-2546	154	21	the	the	DET
eurjchem-2546	154	22	21b2u	21b2u	NUM
eurjchem-2546	154	23	state	state	NOUN
eurjchem-2546	154	24	giving	give	VERB
eurjchem-2546	154	25	rise	rise	NOUN
eurjchem-2546	154	26	to	to	ADP
eurjchem-2546	154	27	band	band	NOUN
eurjchem-2546	154	28	b.	b.	PROPN
eurjchem-2546	155	1	the	the	DET
eurjchem-2546	155	2	11b2u	11b2u	NOUN
eurjchem-2546	155	3	and	and	CCONJ
eurjchem-2546	155	4	21b2u	21b2u	NUM
eurjchem-2546	155	5	states	state	NOUN
eurjchem-2546	155	6	are	be	AUX
eurjchem-2546	155	7	essentially	essentially	ADV
eurjchem-2546	155	8	minus	minus	NUM
eurjchem-2546	155	9	and	and	CCONJ
eurjchem-2546	155	10	plus	plus	CCONJ
eurjchem-2546	155	11	combinations	combination	NOUN
eurjchem-2546	155	12	of	of	ADP
eurjchem-2546	155	13	the	the	DET
eurjchem-2546	155	14	two	two	NUM
eurjchem-2546	155	15	configurations	configuration	NOUN
eurjchem-2546	155	16	,	,	PUNCT
eurjchem-2546	155	17	a	a	DET
eurjchem-2546	155	18	consequence	consequence	NOUN
eurjchem-2546	155	19	of	of	ADP
eurjchem-2546	155	20	the	the	DET
eurjchem-2546	155	21	approximate	approximate	ADJ
eurjchem-2546	155	22	pairing	pairing	NOUN
eurjchem-2546	155	23	symmetry	symmetry	NOUN
eurjchem-2546	155	24	[	[	X
eurjchem-2546	155	25	25,26,45	25,26,45	NOUN
eurjchem-2546	155	26	]	]	PUNCT
eurjchem-2546	155	27	of	of	ADP
eurjchem-2546	155	28	the	the	DET
eurjchem-2546	155	29	dpa	dpa	NOUN
eurjchem-2546	155	30	π	π	PROPN
eurjchem-2546	155	31	system	system	NOUN
eurjchem-2546	155	32	.	.	PUNCT
eurjchem-2546	156	1	because	because	SCONJ
eurjchem-2546	156	2	of	of	ADP
eurjchem-2546	156	3	the	the	DET
eurjchem-2546	156	4	minus	minus	NOUN
eurjchem-2546	156	5	character	character	NOUN
eurjchem-2546	156	6	,	,	PUNCT
eurjchem-2546	156	7	the	the	DET
eurjchem-2546	156	8	transition	transition	NOUN
eurjchem-2546	156	9	to	to	ADP
eurjchem-2546	156	10	the	the	DET
eurjchem-2546	156	11	11b2u	11b2u	ADJ
eurjchem-2546	156	12	state	state	NOUN
eurjchem-2546	156	13	is	be	AUX
eurjchem-2546	156	14	predicted	predict	VERB
eurjchem-2546	156	15	to	to	PART
eurjchem-2546	156	16	be	be	AUX
eurjchem-2546	156	17	weak	weak	ADJ
eurjchem-2546	156	18	(	(	PUNCT
eurjchem-2546	156	19	“	"	PUNCT
eurjchem-2546	156	20	parity	parity	NOUN
eurjchem-2546	156	21	forbidden	forbid	VERB
eurjchem-2546	156	22	”	"	PUNCT
eurjchem-2546	156	23	)	)	PUNCT
eurjchem-2546	156	24	and	and	CCONJ
eurjchem-2546	156	25	it	it	PRON
eurjchem-2546	156	26	is	be	AUX
eurjchem-2546	156	27	likely	likely	ADJ
eurjchem-2546	156	28	to	to	PART
eurjchem-2546	156	29	be	be	AUX
eurjchem-2546	156	30	buried	bury	VERB
eurjchem-2546	156	31	under	under	ADP
eurjchem-2546	156	32	the	the	DET
eurjchem-2546	156	33	strong	strong	ADJ
eurjchem-2546	156	34	absorbance	absorbance	NOUN
eurjchem-2546	156	35	due	due	ADP
eurjchem-2546	156	36	to	to	ADP
eurjchem-2546	156	37	the	the	DET
eurjchem-2546	156	38	11b1u	11b1u	NUM
eurjchem-2546	156	39	state	state	NOUN
eurjchem-2546	156	40	(	(	PUNCT
eurjchem-2546	156	41	band	band	NOUN
eurjchem-2546	156	42	a	a	NOUN
eurjchem-2546	156	43	)	)	PUNCT
eurjchem-2546	156	44	.	.	PUNCT
eurjchem-2546	157	1	the	the	DET
eurjchem-2546	157	2	transition	transition	NOUN
eurjchem-2546	157	3	may	may	AUX
eurjchem-2546	157	4	possibly	possibly	ADV
eurjchem-2546	157	5	be	be	AUX
eurjchem-2546	157	6	observed	observe	VERB
eurjchem-2546	157	7	directly	directly	ADV
eurjchem-2546	157	8	in	in	ADP
eurjchem-2546	157	9	the	the	DET
eurjchem-2546	157	10	mcd	mcd	NOUN
eurjchem-2546	157	11	spectrum	spectrum	NOUN
eurjchem-2546	157	12	,	,	PUNCT
eurjchem-2546	157	13	since	since	SCONJ
eurjchem-2546	157	14	positive	positive	ADJ
eurjchem-2546	157	15	and	and	CCONJ
eurjchem-2546	157	16	negative	negative	ADJ
eurjchem-2546	157	17	b	b	NOUN
eurjchem-2546	157	18	-	-	PUNCT
eurjchem-2546	157	19	terms	term	NOUN
eurjchem-2546	157	20	are	be	AUX
eurjchem-2546	157	21	predicted	predict	VERB
eurjchem-2546	157	22	for	for	ADP
eurjchem-2546	157	23	11b1u	11b1u	NUM
eurjchem-2546	157	24	and	and	CCONJ
eurjchem-2546	157	25	11b2u	11b2u	ADJ
eurjchem-2546	157	26	(	(	PUNCT
eurjchem-2546	157	27	table	table	NOUN
eurjchem-2546	157	28	1	1	NUM
eurjchem-2546	157	29	,	,	PUNCT
eurjchem-2546	157	30	figure	figure	NOUN
eurjchem-2546	157	31	2	2	NUM
eurjchem-2546	157	32	,	,	PUNCT
eurjchem-2546	157	33	sup	sup	NOUN
eurjchem-2546	157	34	.	.	PUNCT
eurjchem-2546	157	35	s4	s4	PROPN
eurjchem-2546	157	36	)	)	PUNCT
eurjchem-2546	157	37	.	.	PUNCT
eurjchem-2546	158	1	it	it	PRON
eurjchem-2546	158	2	should	should	AUX
eurjchem-2546	158	3	be	be	AUX
eurjchem-2546	158	4	mentioned	mention	VERB
eurjchem-2546	158	5	that	that	SCONJ
eurjchem-2546	158	6	a	a	DET
eurjchem-2546	158	7	variety	variety	NOUN
eurjchem-2546	158	8	of	of	ADP
eurjchem-2546	158	9	cas	cas	PROPN
eurjchem-2546	158	10	-	-	PUNCT
eurjchem-2546	158	11	based	base	VERB
eurjchem-2546	158	12	procedures	procedure	NOUN
eurjchem-2546	158	13	predict	predict	VERB
eurjchem-2546	158	14	11b2u	11b2u	NOUN
eurjchem-2546	158	15	as	as	ADP
eurjchem-2546	158	16	the	the	DET
eurjchem-2546	158	17	lowest	low	ADJ
eurjchem-2546	158	18	excited	excited	ADJ
eurjchem-2546	158	19	singlet	singlet	ADJ
eurjchem-2546	158	20	state	state	NOUN
eurjchem-2546	158	21	[	[	X
eurjchem-2546	158	22	7,12	7,12	NUM
eurjchem-2546	158	23	]	]	PUNCT
eurjchem-2546	158	24	.	.	PUNCT
eurjchem-2546	159	1	the	the	DET
eurjchem-2546	159	2	present	present	ADJ
eurjchem-2546	159	3	calculations	calculation	NOUN
eurjchem-2546	159	4	clearly	clearly	ADV
eurjchem-2546	159	5	predict	predict	VERB
eurjchem-2546	159	6	11b1u	11b1u	NUM
eurjchem-2546	159	7	as	as	ADP
eurjchem-2546	159	8	the	the	DET
eurjchem-2546	159	9	lowest	low	ADJ
eurjchem-2546	159	10	excited	excited	ADJ
eurjchem-2546	159	11	singlet	singlet	ADJ
eurjchem-2546	159	12	state	state	NOUN
eurjchem-2546	159	13	of	of	ADP
eurjchem-2546	159	14	dpa	dpa	PROPN
eurjchem-2546	159	15	,	,	PUNCT
eurjchem-2546	159	16	in	in	ADP
eurjchem-2546	159	17	agreement	agreement	NOUN
eurjchem-2546	159	18	with	with	ADP
eurjchem-2546	159	19	the	the	DET
eurjchem-2546	159	20	results	result	NOUN
eurjchem-2546	159	21	of	of	ADP
eurjchem-2546	159	22	semiempirical	semiempirical	ADJ
eurjchem-2546	159	23	[	[	X
eurjchem-2546	159	24	5,6	5,6	NUM
eurjchem-2546	159	25	]	]	PUNCT
eurjchem-2546	159	26	,	,	PUNCT
eurjchem-2546	159	27	td	td	NOUN
eurjchem-2546	159	28	-	-	PUNCT
eurjchem-2546	159	29	dft	dft	NOUN
eurjchem-2546	159	30	[	[	X
eurjchem-2546	159	31	8,12	8,12	NUM
eurjchem-2546	159	32	]	]	PUNCT
eurjchem-2546	159	33	,	,	PUNCT
eurjchem-2546	159	34	and	and	CCONJ
eurjchem-2546	159	35	adc(2	adc(2	NUM
eurjchem-2546	159	36	)	)	PUNCT
eurjchem-2546	160	1	[	[	X
eurjchem-2546	160	2	10	10	NUM
eurjchem-2546	160	3	]	]	PUNCT
eurjchem-2546	160	4	calculations	calculation	NOUN
eurjchem-2546	160	5	.	.	PUNCT
eurjchem-2546	161	1	see	see	VERB
eurjchem-2546	161	2	the	the	DET
eurjchem-2546	161	3	detailed	detailed	ADJ
eurjchem-2546	161	4	discussion	discussion	NOUN
eurjchem-2546	161	5	by	by	ADP
eurjchem-2546	161	6	robertson	robertson	PROPN
eurjchem-2546	161	7	and	and	CCONJ
eurjchem-2546	161	8	worth	worth	ADJ
eurjchem-2546	161	9	[	[	X
eurjchem-2546	161	10	12	12	NUM
eurjchem-2546	161	11	]	]	PUNCT
eurjchem-2546	161	12	.	.	PUNCT
eurjchem-2546	162	1	lcoao	lcoao	PROPN
eurjchem-2546	162	2	predicts	predict	VERB
eurjchem-2546	162	3	the	the	DET
eurjchem-2546	162	4	31b2u	31b2u	PROPN
eurjchem-2546	162	5	state	state	NOUN
eurjchem-2546	162	6	in	in	ADP
eurjchem-2546	162	7	the	the	DET
eurjchem-2546	162	8	vacuum	vacuum	NOUN
eurjchem-2546	162	9	uv	uv	NOUN
eurjchem-2546	162	10	at	at	ADP
eurjchem-2546	162	11	56,100	56,100	NUM
eurjchem-2546	162	12	cm–1	cm–1	X
eurjchem-2546	162	13	(	(	PUNCT
eurjchem-2546	162	14	178	178	NUM
eurjchem-2546	162	15	nm	nm	NOUN
eurjchem-2546	162	16	)	)	PUNCT
eurjchem-2546	162	17	(	(	PUNCT
eurjchem-2546	162	18	table	table	NOUN
eurjchem-2546	162	19	1	1	NUM
eurjchem-2546	162	20	)	)	PUNCT
eurjchem-2546	162	21	.	.	PUNCT
eurjchem-2546	163	1	the	the	DET
eurjchem-2546	163	2	corresponding	correspond	VERB
eurjchem-2546	163	3	state	state	NOUN
eurjchem-2546	163	4	computed	compute	VERB
eurjchem-2546	163	5	with	with	ADP
eurjchem-2546	163	6	td	td	NOUN
eurjchem-2546	163	7	-	-	PUNCT
eurjchem-2546	163	8	cam	cam	NOUN
eurjchem-2546	163	9	-	-	PUNCT
eurjchem-2546	163	10	b3lyp	b3lyp	PROPN
eurjchem-2546	163	11	is	be	AUX
eurjchem-2546	163	12	41b2u	41b2u	NOUN
eurjchem-2546	163	13	at	at	ADP
eurjchem-2546	163	14	59,500	59,500	NUM
eurjchem-2546	163	15	cm–1	cm–1	X
eurjchem-2546	163	16	(	(	PUNCT
eurjchem-2546	163	17	168	168	NUM
eurjchem-2546	163	18	nm	nm	NOUN
eurjchem-2546	163	19	)	)	PUNCT
eurjchem-2546	163	20	(	(	PUNCT
eurjchem-2546	163	21	table	table	NOUN
eurjchem-2546	163	22	2	2	NUM
eurjchem-2546	163	23	)	)	PUNCT
eurjchem-2546	163	24	.	.	PUNCT
eurjchem-2546	164	1	this	this	DET
eurjchem-2546	164	2	state	state	NOUN
eurjchem-2546	164	3	is	be	AUX
eurjchem-2546	164	4	not	not	PART
eurjchem-2546	164	5	clearly	clearly	ADV
eurjchem-2546	164	6	observed	observe	VERB
eurjchem-2546	164	7	in	in	ADP
eurjchem-2546	164	8	the	the	DET
eurjchem-2546	164	9	present	present	ADJ
eurjchem-2546	164	10	spectrum	spectrum	NOUN
eurjchem-2546	164	11	,	,	PUNCT
eurjchem-2546	164	12	but	but	CCONJ
eurjchem-2546	164	13	it	it	PRON
eurjchem-2546	164	14	may	may	AUX
eurjchem-2546	164	15	contribute	contribute	VERB
eurjchem-2546	164	16	to	to	ADP
eurjchem-2546	164	17	the	the	DET
eurjchem-2546	164	18	y	y	ADV
eurjchem-2546	164	19	-	-	PUNCT
eurjchem-2546	164	20	polarized	polarize	VERB
eurjchem-2546	164	21	absorbance	absorbance	NOUN
eurjchem-2546	164	22	in	in	ADP
eurjchem-2546	164	23	the	the	DET
eurjchem-2546	164	24	region	region	NOUN
eurjchem-2546	164	25	between	between	ADP
eurjchem-2546	164	26	the	the	DET
eurjchem-2546	164	27	bands	band	NOUN
eurjchem-2546	164	28	b	b	PROPN
eurjchem-2546	164	29	and	and	CCONJ
eurjchem-2546	164	30	d	d	NOUN
eurjchem-2546	164	31	,	,	PUNCT
eurjchem-2546	164	32	possibly	possibly	ADV
eurjchem-2546	164	33	gaining	gain	VERB
eurjchem-2546	164	34	intensity	intensity	NOUN
eurjchem-2546	164	35	by	by	ADP
eurjchem-2546	164	36	vibronic	vibronic	NOUN
eurjchem-2546	164	37	coupling	coupling	NOUN
eurjchem-2546	164	38	with	with	ADP
eurjchem-2546	164	39	these	these	DET
eurjchem-2546	164	40	strong	strong	ADJ
eurjchem-2546	164	41	bands	band	NOUN
eurjchem-2546	164	42	.	.	PUNCT
eurjchem-2546	165	1	it	it	PRON
eurjchem-2546	165	2	may	may	AUX
eurjchem-2546	165	3	possibly	possibly	ADV
eurjchem-2546	165	4	be	be	AUX
eurjchem-2546	165	5	observed	observe	VERB
eurjchem-2546	165	6	in	in	ADP
eurjchem-2546	165	7	the	the	DET
eurjchem-2546	165	8	mcd	mcd	NOUN
eurjchem-2546	165	9	spectrum	spectrum	NOUN
eurjchem-2546	165	10	,	,	PUNCT
eurjchem-2546	165	11	since	since	SCONJ
eurjchem-2546	165	12	a	a	DET
eurjchem-2546	165	13	large	large	ADJ
eurjchem-2546	165	14	negative	negative	ADJ
eurjchem-2546	165	15	b	b	NOUN
eurjchem-2546	165	16	-	-	PUNCT
eurjchem-2546	165	17	term	term	NOUN
eurjchem-2546	165	18	is	be	AUX
eurjchem-2546	165	19	predicted	predict	VERB
eurjchem-2546	165	20	for	for	ADP
eurjchem-2546	165	21	this	this	DET
eurjchem-2546	165	22	state	state	NOUN
eurjchem-2546	165	23	(	(	PUNCT
eurjchem-2546	165	24	table	table	NOUN
eurjchem-2546	165	25	1	1	NUM
eurjchem-2546	165	26	,	,	PUNCT
eurjchem-2546	165	27	figure	figure	NOUN
eurjchem-2546	165	28	2	2	NUM
eurjchem-2546	165	29	)	)	PUNCT
eurjchem-2546	165	30	.	.	PUNCT
eurjchem-2546	166	1	however	however	ADV
eurjchem-2546	166	2	,	,	PUNCT
eurjchem-2546	166	3	as	as	SCONJ
eurjchem-2546	166	4	indicated	indicate	VERB
eurjchem-2546	166	5	above	above	ADV
eurjchem-2546	166	6	,	,	PUNCT
eurjchem-2546	166	7	the	the	DET
eurjchem-2546	166	8	results	result	NOUN
eurjchem-2546	166	9	in	in	ADP
eurjchem-2546	166	10	the	the	DET
eurjchem-2546	166	11	high	high	ADJ
eurjchem-2546	166	12	-	-	PUNCT
eurjchem-2546	166	13	wavenumber	wavenumber	NOUN
eurjchem-2546	166	14	region	region	NOUN
eurjchem-2546	166	15	should	should	AUX
eurjchem-2546	166	16	be	be	AUX
eurjchem-2546	166	17	treated	treat	VERB
eurjchem-2546	166	18	with	with	ADP
eurjchem-2546	166	19	caution	caution	NOUN
eurjchem-2546	166	20	.	.	PUNCT
eurjchem-2546	167	1	4	4	X
eurjchem-2546	167	2	.	.	X
eurjchem-2546	167	3	conclusions	conclusion	NOUN
eurjchem-2546	167	4	the	the	DET
eurjchem-2546	167	5	absorbance	absorbance	NOUN
eurjchem-2546	167	6	spectrum	spectrum	NOUN
eurjchem-2546	167	7	of	of	ADP
eurjchem-2546	167	8	diphenylacetylene	diphenylacetylene	PROPN
eurjchem-2546	167	9	(	(	PUNCT
eurjchem-2546	167	10	dpa	dpa	PROPN
eurjchem-2546	167	11	)	)	PUNCT
eurjchem-2546	167	12	is	be	AUX
eurjchem-2546	167	13	characterized	characterize	VERB
eurjchem-2546	167	14	by	by	ADP
eurjchem-2546	167	15	four	four	NUM
eurjchem-2546	167	16	characteristic	characteristic	ADJ
eurjchem-2546	167	17	bands	band	NOUN
eurjchem-2546	167	18	a	a	DET
eurjchem-2546	167	19	,	,	PUNCT
eurjchem-2546	167	20	b	b	PROPN
eurjchem-2546	167	21	,	,	PUNCT
eurjchem-2546	167	22	c	c	NOUN
eurjchem-2546	167	23	,	,	PUNCT
eurjchem-2546	167	24	and	and	CCONJ
eurjchem-2546	167	25	d	d	X
eurjchem-2546	167	26	in	in	ADP
eurjchem-2546	167	27	the	the	DET
eurjchem-2546	167	28	region	region	NOUN
eurjchem-2546	167	29	58,000–28,000	58,000–28,000	X
eurjchem-2546	167	30	cm–1	cm–1	X
eurjchem-2546	167	31	(	(	PUNCT
eurjchem-2546	167	32	172–360	172–360	NUM
eurjchem-2546	167	33	nm	nm	NOUN
eurjchem-2546	167	34	)	)	PUNCT
eurjchem-2546	167	35	,	,	PUNCT
eurjchem-2546	167	36	similar	similar	ADJ
eurjchem-2546	167	37	to	to	ADP
eurjchem-2546	167	38	the	the	DET
eurjchem-2546	167	39	spectrum	spectrum	NOUN
eurjchem-2546	167	40	of	of	ADP
eurjchem-2546	167	41	trans	tran	NOUN
eurjchem-2546	167	42	-	-	NOUN
eurjchem-2546	167	43	stilbene	stilbene	NOUN
eurjchem-2546	167	44	[	[	X
eurjchem-2546	167	45	44	44	NUM
eurjchem-2546	167	46	]	]	PUNCT
eurjchem-2546	167	47	.	.	PUNCT
eurjchem-2546	168	1	according	accord	VERB
eurjchem-2546	168	2	to	to	ADP
eurjchem-2546	168	3	the	the	DET
eurjchem-2546	168	4	present	present	ADJ
eurjchem-2546	168	5	results	result	NOUN
eurjchem-2546	168	6	,	,	PUNCT
eurjchem-2546	168	7	bands	band	VERB
eurjchem-2546	168	8	a	a	PRON
eurjchem-2546	168	9	and	and	CCONJ
eurjchem-2546	168	10	c	c	NOUN
eurjchem-2546	168	11	are	be	AUX
eurjchem-2546	168	12	z	z	NOUN
eurjchem-2546	168	13	-	-	PUNCT
eurjchem-2546	168	14	polarized	polarize	VERB
eurjchem-2546	168	15	,	,	PUNCT
eurjchem-2546	168	16	while	while	SCONJ
eurjchem-2546	168	17	bands	band	NOUN
eurjchem-2546	168	18	b	b	PROPN
eurjchem-2546	168	19	and	and	CCONJ
eurjchem-2546	168	20	d	d	NOUN
eurjchem-2546	168	21	are	be	AUX
eurjchem-2546	168	22	y	y	NOUN
eurjchem-2546	168	23	-	-	PUNCT
eurjchem-2546	168	24	polarized	polarize	VERB
eurjchem-2546	168	25	.	.	PUNCT
eurjchem-2546	169	1	the	the	DET
eurjchem-2546	169	2	lcoao	lcoao	NOUN
eurjchem-2546	169	3	model	model	NOUN
eurjchem-2546	169	4	provides	provide	VERB
eurjchem-2546	169	5	an	an	DET
eurjchem-2546	169	6	adequate	adequate	ADJ
eurjchem-2546	169	7	theoretical	theoretical	ADJ
eurjchem-2546	169	8	description	description	NOUN
eurjchem-2546	169	9	of	of	ADP
eurjchem-2546	169	10	the	the	DET
eurjchem-2546	169	11	four	four	NUM
eurjchem-2546	169	12	main	main	ADJ
eurjchem-2546	169	13	bands	band	NOUN
eurjchem-2546	169	14	.	.	PUNCT
eurjchem-2546	170	1	the	the	DET
eurjchem-2546	170	2	td	td	NOUN
eurjchem-2546	170	3	-	-	PUNCT
eurjchem-2546	170	4	camb3lyp	camb3lyp	ADJ
eurjchem-2546	170	5	results	result	NOUN
eurjchem-2546	170	6	are	be	AUX
eurjchem-2546	170	7	consistent	consistent	ADJ
eurjchem-2546	170	8	with	with	ADP
eurjchem-2546	170	9	those	those	PRON
eurjchem-2546	170	10	obtained	obtain	VERB
eurjchem-2546	170	11	with	with	ADP
eurjchem-2546	170	12	lcoao	lcoao	NOUN
eurjchem-2546	170	13	,	,	PUNCT
eurjchem-2546	170	14	except	except	SCONJ
eurjchem-2546	170	15	in	in	ADP
eurjchem-2546	170	16	the	the	DET
eurjchem-2546	170	17	region	region	NOUN
eurjchem-2546	170	18	of	of	ADP
eurjchem-2546	170	19	band	band	NOUN
eurjchem-2546	170	20	d	d	NOUN
eurjchem-2546	170	21	in	in	ADP
eurjchem-2546	170	22	the	the	DET
eurjchem-2546	170	23	vacuum	vacuum	NOUN
eurjchem-2546	170	24	uv	uv	NOUN
eurjchem-2546	170	25	,	,	PUNCT
eurjchem-2546	170	26	where	where	SCONJ
eurjchem-2546	170	27	the	the	DET
eurjchem-2546	170	28	two	two	NUM
eurjchem-2546	170	29	methods	method	NOUN
eurjchem-2546	170	30	differ	differ	VERB
eurjchem-2546	170	31	in	in	ADP
eurjchem-2546	170	32	the	the	DET
eurjchem-2546	170	33	prediction	prediction	NOUN
eurjchem-2546	170	34	of	of	ADP
eurjchem-2546	170	35	individual	individual	ADJ
eurjchem-2546	170	36	electronic	electronic	ADJ
eurjchem-2546	170	37	transitions	transition	NOUN
eurjchem-2546	170	38	.	.	PUNCT
eurjchem-2546	171	1	the	the	DET
eurjchem-2546	171	2	optically	optically	ADV
eurjchem-2546	171	3	allowed	allow	VERB
eurjchem-2546	171	4	states	state	NOUN
eurjchem-2546	171	5	11b2u	11b2u	NOUN
eurjchem-2546	171	6	and	and	CCONJ
eurjchem-2546	171	7	31b2u	31b2u	NUM
eurjchem-2546	171	8	are	be	AUX
eurjchem-2546	171	9	predicted	predict	VERB
eurjchem-2546	171	10	with	with	ADP
eurjchem-2546	171	11	too	too	ADV
eurjchem-2546	171	12	low	low	ADJ
eurjchem-2546	171	13	intensity	intensity	NOUN
eurjchem-2546	171	14	to	to	PART
eurjchem-2546	171	15	be	be	AUX
eurjchem-2546	171	16	observed	observe	VERB
eurjchem-2546	171	17	in	in	ADP
eurjchem-2546	171	18	the	the	DET
eurjchem-2546	171	19	present	present	ADJ
eurjchem-2546	171	20	experimental	experimental	ADJ
eurjchem-2546	171	21	spectra	spectra	NOUN
eurjchem-2546	171	22	,	,	PUNCT
eurjchem-2546	171	23	but	but	CCONJ
eurjchem-2546	171	24	the	the	DET
eurjchem-2546	171	25	mcd	mcd	PROPN
eurjchem-2546	171	26	b	b	X
eurjchem-2546	171	27	-	-	PUNCT
eurjchem-2546	171	28	terms	term	NOUN
eurjchem-2546	171	29	predicted	predict	VERB
eurjchem-2546	171	30	by	by	ADP
eurjchem-2546	171	31	lcoao	lcoao	NOUN
eurjchem-2546	171	32	suggest	suggest	VERB
eurjchem-2546	171	33	that	that	SCONJ
eurjchem-2546	171	34	they	they	PRON
eurjchem-2546	171	35	may	may	AUX
eurjchem-2546	171	36	be	be	AUX
eurjchem-2546	171	37	observed	observe	VERB
eurjchem-2546	171	38	by	by	ADP
eurjchem-2546	171	39	mcd	mcd	NOUN
eurjchem-2546	171	40	spectroscopy	spectroscopy	NOUN
eurjchem-2546	171	41	.	.	PUNCT
eurjchem-2546	172	1	acknowledgements	acknowledgement	NOUN
eurjchem-2546	172	2	this	this	DET
eurjchem-2546	172	3	investigation	investigation	NOUN
eurjchem-2546	172	4	was	be	AUX
eurjchem-2546	172	5	supported	support	VERB
eurjchem-2546	172	6	by	by	ADP
eurjchem-2546	172	7	grants	grant	NOUN
eurjchem-2546	172	8	of	of	ADP
eurjchem-2546	172	9	beam	beam	ADJ
eurjchem-2546	172	10	time	time	NOUN
eurjchem-2546	172	11	on	on	ADP
eurjchem-2546	172	12	the	the	DET
eurjchem-2546	172	13	cd1	cd1	NOUN
eurjchem-2546	172	14	beamline	beamline	NOUN
eurjchem-2546	172	15	at	at	ADP
eurjchem-2546	172	16	the	the	DET
eurjchem-2546	172	17	centre	centre	NOUN
eurjchem-2546	172	18	for	for	ADP
eurjchem-2546	172	19	storage	storage	NOUN
eurjchem-2546	172	20	ring	ring	NOUN
eurjchem-2546	172	21	facilities	facility	NOUN
eurjchem-2546	172	22	(	(	PUNCT
eurjchem-2546	172	23	isa	isa	NOUN
eurjchem-2546	172	24	)	)	PUNCT
eurjchem-2546	172	25	,	,	PUNCT
eurjchem-2546	172	26	aarhus	aarhus	PROPN
eurjchem-2546	172	27	university	university	PROPN
eurjchem-2546	172	28	.	.	PUNCT
eurjchem-2546	173	1	the	the	DET
eurjchem-2546	173	2	stay	stay	NOUN
eurjchem-2546	173	3	of	of	ADP
eurjchem-2546	173	4	nguyen	nguyen	PROPN
eurjchem-2546	173	5	duc	duc	PROPN
eurjchem-2546	173	6	duy	duy	PROPN
eurjchem-2546	173	7	at	at	ADP
eurjchem-2546	173	8	roskilde	roskilde	PROPN
eurjchem-2546	173	9	university	university	PROPN
eurjchem-2546	173	10	was	be	AUX
eurjchem-2546	173	11	enabled	enable	VERB
eurjchem-2546	173	12	by	by	ADP
eurjchem-2546	173	13	a	a	DET
eurjchem-2546	173	14	ph.d	ph.d	PROPN
eurjchem-2546	173	15	.	.	PUNCT
eurjchem-2546	173	16	scholarship	scholarship	NOUN
eurjchem-2546	173	17	granted	grant	VERB
eurjchem-2546	173	18	by	by	ADP
eurjchem-2546	173	19	the	the	DET
eurjchem-2546	173	20	vietnamese	vietnamese	PROPN
eurjchem-2546	173	21	ministry	ministry	PROPN
eurjchem-2546	173	22	of	of	ADP
eurjchem-2546	173	23	education	education	PROPN
eurjchem-2546	173	24	and	and	CCONJ
eurjchem-2546	173	25	training	training	NOUN
eurjchem-2546	173	26	.	.	PUNCT
eurjchem-2546	174	1	the	the	DET
eurjchem-2546	174	2	danish	danish	PROPN
eurjchem-2546	174	3	international	international	PROPN
eurjchem-2546	174	4	development	development	PROPN
eurjchem-2546	174	5	agency	agency	PROPN
eurjchem-2546	174	6	(	(	PUNCT
eurjchem-2546	174	7	danida	danida	PROPN
eurjchem-2546	174	8	)	)	PUNCT
eurjchem-2546	174	9	provided	provide	VERB
eurjchem-2546	174	10	additional	additional	ADJ
eurjchem-2546	174	11	support	support	NOUN
eurjchem-2546	174	12	via	via	ADP
eurjchem-2546	174	13	the	the	DET
eurjchem-2546	174	14	enhancement	enhancement	NOUN
eurjchem-2546	174	15	of	of	ADP
eurjchem-2546	174	16	research	research	NOUN
eurjchem-2546	174	17	capacity	capacity	NOUN
eurjchem-2546	174	18	(	(	PUNCT
eurjchem-2546	174	19	enreca	enreca	NOUN
eurjchem-2546	174	20	)	)	PUNCT
eurjchem-2546	174	21	program	program	NOUN
eurjchem-2546	174	22	.	.	PUNCT
eurjchem-2546	175	1	the	the	DET
eurjchem-2546	175	2	authors	author	NOUN
eurjchem-2546	175	3	are	be	AUX
eurjchem-2546	175	4	grateful	grateful	ADJ
eurjchem-2546	175	5	to	to	ADP
eurjchem-2546	175	6	signe	signe	PROPN
eurjchem-2546	175	7	høgsberg	høgsberg	PROPN
eurjchem-2546	175	8	andersen	andersen	PROPN
eurjchem-2546	175	9	for	for	ADP
eurjchem-2546	175	10	preliminary	preliminary	ADJ
eurjchem-2546	175	11	investigations	investigation	NOUN
eurjchem-2546	175	12	of	of	ADP
eurjchem-2546	175	13	the	the	DET
eurjchem-2546	175	14	title	title	NOUN
eurjchem-2546	175	15	compound	compound	NOUN
eurjchem-2546	175	16	and	and	CCONJ
eurjchem-2546	175	17	to	to	ADP
eurjchem-2546	175	18	eva	eva	PROPN
eurjchem-2546	175	19	m.	m.	NOUN
eurjchem-2546	175	20	karlsen	karlsen	PROPN
eurjchem-2546	175	21	for	for	ADP
eurjchem-2546	175	22	technical	technical	ADJ
eurjchem-2546	175	23	assistance	assistance	NOUN
eurjchem-2546	175	24	in	in	ADP
eurjchem-2546	175	25	the	the	DET
eurjchem-2546	175	26	spectroscopy	spectroscopy	NOUN
eurjchem-2546	175	27	laboratory	laboratory	NOUN
eurjchem-2546	175	28	.	.	PUNCT
eurjchem-2546	176	1	supporting	support	VERB
eurjchem-2546	176	2	information	information	NOUN
eurjchem-2546	176	3	electronic	electronic	ADJ
eurjchem-2546	176	4	supplementary	supplementary	ADJ
eurjchem-2546	176	5	material	material	NOUN
eurjchem-2546	176	6	available	available	ADJ
eurjchem-2546	176	7	:	:	PUNCT
eurjchem-2546	176	8	spectroscopic	spectroscopic	ADJ
eurjchem-2546	176	9	peak	peak	NOUN
eurjchem-2546	176	10	data	datum	NOUN
eurjchem-2546	176	11	.	.	PUNCT
eurjchem-2546	177	1	nuclear	nuclear	ADJ
eurjchem-2546	177	2	equilibrium	equilibrium	NOUN
eurjchem-2546	177	3	coordinates	coordinate	NOUN
eurjchem-2546	177	4	calculated	calculate	VERB
eurjchem-2546	177	5	with	with	ADP
eurjchem-2546	177	6	cam	cam	PROPN
eurjchem-2546	177	7	-	-	PUNCT
eurjchem-2546	177	8	b3lyp	b3lyp	NOUN
eurjchem-2546	177	9	/	/	SYM
eurjchem-2546	177	10	aug	aug	PROPN
eurjchem-2546	177	11	-	-	PUNCT
eurjchem-2546	177	12	cc	cc	NOUN
eurjchem-2546	177	13	-	-	NOUN
eurjchem-2546	177	14	pvtz	pvtz	NOUN
eurjchem-2546	177	15	and	and	CCONJ
eurjchem-2546	177	16	cam	cam	PROPN
eurjchem-2546	177	17	-	-	PUNCT
eurjchem-2546	177	18	b3lyp	b3lyp	NOUN
eurjchem-2546	177	19	/	/	SYM
eurjchem-2546	177	20	cc	cc	NOUN
eurjchem-2546	177	21	-	-	NOUN
eurjchem-2546	177	22	pvtz	pvtz	NOUN
eurjchem-2546	177	23	.	.	PUNCT
eurjchem-2546	178	1	complete	complete	ADJ
eurjchem-2546	178	2	list	list	NOUN
eurjchem-2546	178	3	and	and	CCONJ
eurjchem-2546	178	4	graphical	graphical	ADJ
eurjchem-2546	178	5	representations	representation	NOUN
eurjchem-2546	178	6	of	of	ADP
eurjchem-2546	178	7	electronic	electronic	ADJ
eurjchem-2546	178	8	transitions	transition	NOUN
eurjchem-2546	178	9	predicted	predict	VERB
eurjchem-2546	178	10	with	with	ADP
eurjchem-2546	178	11	td	td	NOUN
eurjchem-2546	178	12	-	-	PUNCT
eurjchem-2546	178	13	cam	cam	NOUN
eurjchem-2546	178	14	-	-	PUNCT
eurjchem-2546	178	15	b3lyp	b3lyp	NOUN
eurjchem-2546	178	16	/	/	SYM
eurjchem-2546	178	17	aug	aug	PROPN
eurjchem-2546	178	18	-	-	PUNCT
eurjchem-2546	178	19	cc	cc	NOUN
eurjchem-2546	178	20	-	-	NOUN
eurjchem-2546	178	21	pvtz	pvtz	NOUN
eurjchem-2546	178	22	,	,	PUNCT
eurjchem-2546	178	23	tdcam	tdcam	NOUN
eurjchem-2546	178	24	-	-	PUNCT
eurjchem-2546	178	25	b3lyp	b3lyp	NOUN
eurjchem-2546	178	26	/	/	SYM
eurjchem-2546	178	27	cc	cc	NOUN
eurjchem-2546	178	28	-	-	NOUN
eurjchem-2546	178	29	pvtz	pvtz	NOUN
eurjchem-2546	178	30	and	and	CCONJ
eurjchem-2546	178	31	lcoao	lcoao	NOUN
eurjchem-2546	178	32	.	.	PUNCT
eurjchem-2546	179	1	lcoao	lcoao	NOUN
eurjchem-2546	179	2	bibliography	bibliography	NOUN
eurjchem-2546	179	3	1980	1980	NUM
eurjchem-2546	179	4	-	-	SYM
eurjchem-2546	179	5	2023	2023	NUM
eurjchem-2546	179	6	.	.	PUNCT
eurjchem-2546	180	1	disclosure	disclosure	NOUN
eurjchem-2546	180	2	statement	statement	NOUN
eurjchem-2546	180	3	conflict	conflict	NOUN
eurjchem-2546	180	4	of	of	ADP
eurjchem-2546	180	5	interest	interest	NOUN
eurjchem-2546	180	6	:	:	PUNCT
eurjchem-2546	180	7	the	the	DET
eurjchem-2546	180	8	authors	author	NOUN
eurjchem-2546	180	9	declare	declare	VERB
eurjchem-2546	180	10	that	that	SCONJ
eurjchem-2546	180	11	they	they	PRON
eurjchem-2546	180	12	have	have	VERB
eurjchem-2546	180	13	no	no	DET
eurjchem-2546	180	14	conflict	conflict	NOUN
eurjchem-2546	180	15	of	of	ADP
eurjchem-2546	180	16	interest	interest	NOUN
eurjchem-2546	180	17	.	.	PUNCT
eurjchem-2546	181	1	ethical	ethical	ADJ
eurjchem-2546	181	2	approval	approval	NOUN
eurjchem-2546	181	3	:	:	PUNCT
eurjchem-2546	182	1	all	all	DET
eurjchem-2546	182	2	ethical	ethical	ADJ
eurjchem-2546	182	3	guidelines	guideline	NOUN
eurjchem-2546	182	4	have	have	AUX
eurjchem-2546	182	5	been	be	AUX
eurjchem-2546	182	6	adhered	adhere	VERB
eurjchem-2546	182	7	to	to	ADP
eurjchem-2546	182	8	.	.	PUNCT
eurjchem-2546	183	1	data	datum	NOUN
eurjchem-2546	183	2	availability	availability	NOUN
eurjchem-2546	183	3	:	:	PUNCT
eurjchem-2546	183	4	spectroscopic	spectroscopic	ADJ
eurjchem-2546	183	5	data	datum	NOUN
eurjchem-2546	183	6	are	be	AUX
eurjchem-2546	183	7	available	available	ADJ
eurjchem-2546	183	8	from	from	ADP
eurjchem-2546	183	9	the	the	DET
eurjchem-2546	183	10	uv	uv	NOUN
eurjchem-2546	183	11	/	/	SYM
eurjchem-2546	183	12	vis+	vis+	NOUN
eurjchem-2546	183	13	photochemistry	photochemistry	NOUN
eurjchem-2546	183	14	data	data	NOUN
eurjchem-2546	183	15	base	base	NOUN
eurjchem-2546	183	16	(	(	PUNCT
eurjchem-2546	183	17	https://science-softcon.de/spectra/	https://science-softcon.de/spectra/	NOUN
eurjchem-2546	183	18	)	)	PUNCT
eurjchem-2546	183	19	.	.	PUNCT
eurjchem-2546	184	1	credit	credit	NOUN
eurjchem-2546	184	2	authorship	authorship	NOUN
eurjchem-2546	184	3	contribution	contribution	NOUN
eurjchem-2546	184	4	statement	statement	NOUN
eurjchem-2546	184	5	conceptualization	conceptualization	NOUN
eurjchem-2546	184	6	:	:	PUNCT
eurjchem-2546	184	7	duy	duy	PROPN
eurjchem-2546	184	8	duc	duc	PROPN
eurjchem-2546	184	9	nguyen	nguyen	PROPN
eurjchem-2546	184	10	,	,	PUNCT
eurjchem-2546	184	11	jens	jens	PROPN
eurjchem-2546	184	12	spanget	spanget	PROPN
eurjchem-2546	184	13	-	-	PUNCT
eurjchem-2546	184	14	larsen	larsen	PROPN
eurjchem-2546	184	15	;	;	PUNCT
eurjchem-2546	184	16	methodology	methodology	NOUN
eurjchem-2546	184	17	:	:	PUNCT
eurjchem-2546	184	18	duy	duy	PROPN
eurjchem-2546	184	19	duc	duc	PROPN
eurjchem-2546	184	20	nguyen	nguyen	PROPN
eurjchem-2546	184	21	,	,	PUNCT
eurjchem-2546	184	22	jens	jens	PROPN
eurjchem-2546	184	23	spanget	spanget	PROPN
eurjchem-2546	184	24	-	-	PUNCT
eurjchem-2546	184	25	larsen	larsen	PROPN
eurjchem-2546	184	26	;	;	PUNCT
eurjchem-2546	184	27	formal	formal	ADJ
eurjchem-2546	184	28	analysis	analysis	NOUN
eurjchem-2546	184	29	:	:	PUNCT
eurjchem-2546	184	30	jens	jens	PROPN
eurjchem-2546	184	31	spanget	spanget	PROPN
eurjchem-2546	184	32	-	-	PUNCT
eurjchem-2546	184	33	larsen	larsen	PROPN
eurjchem-2546	184	34	;	;	PUNCT
eurjchem-2546	184	35	investigation	investigation	NOUN
eurjchem-2546	184	36	:	:	PUNCT
eurjchem-2546	184	37	duy	duy	PROPN
eurjchem-2546	184	38	duc	duc	PROPN
eurjchem-2546	184	39	nguyen	nguyen	PROPN
eurjchem-2546	184	40	,	,	PUNCT
eurjchem-2546	184	41	nykola	nykola	PROPN
eurjchem-2546	184	42	c.	c.	PROPN
eurjchem-2546	184	43	jones	jones	PROPN
eurjchem-2546	184	44	,	,	PUNCT
eurjchem-2546	184	45	søren	søren	PROPN
eurjchem-2546	184	46	vrønning	vrønne	VERB
eurjchem-2546	184	47	hoffmann	hoffmann	PROPN
eurjchem-2546	184	48	,	,	PUNCT
eurjchem-2546	184	49	jens	jens	PROPN
eurjchem-2546	184	50	spanget	spanget	PROPN
eurjchem-2546	184	51	-	-	PUNCT
eurjchem-2546	184	52	larsen	larsen	PROPN
eurjchem-2546	184	53	;	;	PUNCT
eurjchem-2546	184	54	resources	resource	NOUN
eurjchem-2546	184	55	:	:	PUNCT
eurjchem-2546	184	56	nykola	nykola	PROPN
eurjchem-2546	184	57	c.	c.	PROPN
eurjchem-2546	184	58	jones	jones	PROPN
eurjchem-2546	184	59	,	,	PUNCT
eurjchem-2546	184	60	søren	søren	PROPN
eurjchem-2546	184	61	vrønning	vrønne	VERB
eurjchem-2546	184	62	hoffmann	hoffmann	PROPN
eurjchem-2546	184	63	,	,	PUNCT
eurjchem-2546	184	64	jens	jens	PROPN
eurjchem-2546	184	65	spanget	spanget	PROPN
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eurjchem-2546	184	67	larsen	larsen	PROPN
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eurjchem-2546	184	84	larsen	larsen	PROPN
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eurjchem-2546	184	90	:	:	PUNCT
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eurjchem-2546	186	4	jones	jones	PROPN
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eurjchem-2546	186	13	spanget	spanget	PROPN
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eurjchem-2546	186	20	1	1	NUM
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eurjchem-2546	188	1	f.	f.	PROPN
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eurjchem-2546	189	5	properties	property	NOUN
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eurjchem-2546	189	11	.	.	PUNCT
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eurjchem-2546	191	4	,	,	PUNCT
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eurjchem-2546	191	8	.	.	PUNCT
eurjchem-2546	192	1	[	[	X
eurjchem-2546	192	2	2	2	NUM
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eurjchem-2546	192	4	.	.	PUNCT
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eurjchem-2546	193	2	,	,	PUNCT
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eurjchem-2546	193	4	;	;	PUNCT
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eurjchem-2546	193	6	,	,	PUNCT
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eurjchem-2546	193	8	;	;	PUNCT
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eurjchem-2546	193	10	,	,	PUNCT
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eurjchem-2546	194	2	.	.	PUNCT
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eurjchem-2546	195	2	.	.	PUNCT
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eurjchem-2546	196	2	.	.	PROPN
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eurjchem-2546	196	4	,	,	PUNCT
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eurjchem-2546	196	6	,	,	PUNCT
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eurjchem-2546	196	8	.	.	PUNCT
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eurjchem-2546	197	2	3	3	NUM
eurjchem-2546	197	3	]	]	PUNCT
eurjchem-2546	197	4	.	.	PUNCT
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eurjchem-2546	197	10	tang	tang	PROPN
eurjchem-2546	197	11	,	,	PUNCT
eurjchem-2546	197	12	y.	y.	PROPN
eurjchem-2546	197	13	;	;	PUNCT
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eurjchem-2546	197	15	,	,	PUNCT
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eurjchem-2546	197	42	,	,	PUNCT
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eurjchem-2546	197	47	:	:	PUNCT
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eurjchem-2546	198	3	,	,	PUNCT
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eurjchem-2546	199	2	4	4	NUM
eurjchem-2546	199	3	]	]	PUNCT
eurjchem-2546	199	4	.	.	PUNCT
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eurjchem-2546	200	2	,	,	PUNCT
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eurjchem-2546	200	4	;	;	PUNCT
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eurjchem-2546	200	6	,	,	PUNCT
eurjchem-2546	200	7	s.	s.	PROPN
eurjchem-2546	200	8	;	;	PUNCT
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eurjchem-2546	200	16	;	;	PUNCT
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eurjchem-2546	200	28	;	;	PUNCT
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eurjchem-2546	200	40	;	;	PUNCT
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eurjchem-2546	200	42	,	,	PUNCT
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eurjchem-2546	200	44	;	;	PUNCT
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eurjchem-2546	200	50	,	,	PUNCT
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eurjchem-2546	200	74	mailto:vronning@phys.au.dk	mailto:vronning@phys.au.dk	PROPN
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eurjchem-2546	200	94	)	)	PUNCT
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eurjchem-2546	200	99	–	–	PUNCT
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eurjchem-2546	200	108	–	–	PUNCT
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eurjchem-2546	200	110	:	:	PUNCT
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eurjchem-2546	200	112	/	/	SYM
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eurjchem-2546	200	114	-	-	PUNCT
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eurjchem-2546	200	118	oligo(phenylene	oligo(phenylene	NOUN
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eurjchem-2546	200	120	ethynylene	ethynylene	NOUN
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eurjchem-2546	201	3	,	,	PUNCT
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eurjchem-2546	201	7	.	.	PUNCT
eurjchem-2546	202	1	[	[	X
eurjchem-2546	202	2	5	5	NUM
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eurjchem-2546	203	27	oneand	oneand	CCONJ
eurjchem-2546	203	28	two	two	NUM
eurjchem-2546	203	29	-	-	PUNCT
eurjchem-2546	203	30	photon	photon	NOUN
eurjchem-2546	203	31	spectra	spectra	NOUN
eurjchem-2546	203	32	.	.	PUNCT
eurjchem-2546	204	1	j.	j.	PROPN
eurjchem-2546	204	2	phys	phys	PROPN
eurjchem-2546	204	3	.	.	PUNCT
eurjchem-2546	205	1	chem	chem	PROPN
eurjchem-2546	205	2	.	.	PUNCT
eurjchem-2546	206	1	1992	1992	NUM
eurjchem-2546	206	2	,	,	PUNCT
eurjchem-2546	206	3	96	96	NUM
eurjchem-2546	206	4	,	,	PUNCT
eurjchem-2546	206	5	2433–2442	2433–2442	NUM
eurjchem-2546	206	6	.	.	PUNCT
eurjchem-2546	207	1	[	[	X
eurjchem-2546	207	2	6	6	NUM
eurjchem-2546	207	3	]	]	PUNCT
eurjchem-2546	207	4	.	.	PUNCT
eurjchem-2546	207	5	ferrante	ferrante	PROPN
eurjchem-2546	207	6	,	,	PUNCT
eurjchem-2546	207	7	c.	c.	PROPN
eurjchem-2546	207	8	;	;	PUNCT
eurjchem-2546	207	9	kensy	kensy	PROPN
eurjchem-2546	207	10	,	,	PUNCT
eurjchem-2546	207	11	u.	u.	PROPN
eurjchem-2546	207	12	;	;	PUNCT
eurjchem-2546	207	13	dick	dick	PROPN
eurjchem-2546	207	14	,	,	PUNCT
eurjchem-2546	207	15	b.	b.	PROPN
eurjchem-2546	207	16	does	do	VERB
eurjchem-2546	207	17	diphenylacetylene	diphenylacetylene	PROPN
eurjchem-2546	207	18	(	(	PUNCT
eurjchem-2546	207	19	tolan	tolan	PROPN
eurjchem-2546	207	20	)	)	PUNCT
eurjchem-2546	207	21	fluoresce	fluoresce	ADV
eurjchem-2546	207	22	from	from	ADP
eurjchem-2546	207	23	its	its	PRON
eurjchem-2546	207	24	second	second	ADJ
eurjchem-2546	207	25	excited	excited	ADJ
eurjchem-2546	207	26	singlet	singlet	ADJ
eurjchem-2546	207	27	state	state	NOUN
eurjchem-2546	207	28	?	?	PUNCT
eurjchem-2546	208	1	semiempirical	semiempirical	PROPN
eurjchem-2546	208	2	mo	mo	PROPN
eurjchem-2546	208	3	calculations	calculation	NOUN
eurjchem-2546	208	4	and	and	CCONJ
eurjchem-2546	208	5	fluorescence	fluorescence	ADJ
eurjchem-2546	208	6	quantum	quantum	ADJ
eurjchem-2546	208	7	yield	yield	NOUN
eurjchem-2546	208	8	measurements	measurement	NOUN
eurjchem-2546	208	9	.	.	PUNCT
eurjchem-2546	209	1	j.	j.	PROPN
eurjchem-2546	209	2	phys	phys	PROPN
eurjchem-2546	209	3	.	.	PUNCT
eurjchem-2546	210	1	chem	chem	PROPN
eurjchem-2546	210	2	.	.	PUNCT
eurjchem-2546	211	1	1993	1993	NUM
eurjchem-2546	211	2	,	,	PUNCT
eurjchem-2546	211	3	97	97	NUM
eurjchem-2546	211	4	,	,	PUNCT
eurjchem-2546	211	5	13457–13463	13457–13463	NUM
eurjchem-2546	211	6	.	.	PUNCT
eurjchem-2546	212	1	[	[	X
eurjchem-2546	212	2	7	7	NUM
eurjchem-2546	212	3	]	]	PUNCT
eurjchem-2546	212	4	.	.	PUNCT
eurjchem-2546	213	1	amatatsu	amatatsu	PROPN
eurjchem-2546	213	2	,	,	PUNCT
eurjchem-2546	213	3	y.	y.	PROPN
eurjchem-2546	213	4	;	;	PUNCT
eurjchem-2546	213	5	hosokawa	hosokawa	NOUN
eurjchem-2546	213	6	,	,	PUNCT
eurjchem-2546	213	7	m.	m.	NOUN
eurjchem-2546	213	8	theoretical	theoretical	ADJ
eurjchem-2546	213	9	study	study	NOUN
eurjchem-2546	213	10	on	on	ADP
eurjchem-2546	213	11	the	the	DET
eurjchem-2546	213	12	photochemical	photochemical	ADJ
eurjchem-2546	213	13	behavior	behavior	NOUN
eurjchem-2546	213	14	of	of	ADP
eurjchem-2546	213	15	diphenylacetylene	diphenylacetylene	NOUN
eurjchem-2546	213	16	in	in	ADP
eurjchem-2546	213	17	the	the	DET
eurjchem-2546	213	18	low	low	ADV
eurjchem-2546	213	19	-	-	PUNCT
eurjchem-2546	213	20	lying	lie	VERB
eurjchem-2546	213	21	excited	excited	ADJ
eurjchem-2546	213	22	states	state	NOUN
eurjchem-2546	213	23	.	.	PUNCT
eurjchem-2546	214	1	j.	j.	PROPN
eurjchem-2546	214	2	phys	phys	PROPN
eurjchem-2546	214	3	.	.	PUNCT
eurjchem-2546	215	1	chem	chem	PROPN
eurjchem-2546	215	2	.	.	PUNCT
eurjchem-2546	216	1	a	a	DET
eurjchem-2546	216	2	2004	2004	NUM
eurjchem-2546	216	3	,	,	PUNCT
eurjchem-2546	216	4	108	108	NUM
eurjchem-2546	216	5	,	,	PUNCT
eurjchem-2546	216	6	10238–10244	10238–10244	NUM
eurjchem-2546	216	7	.	.	PUNCT
eurjchem-2546	217	1	[	[	X
eurjchem-2546	217	2	8	8	NUM
eurjchem-2546	217	3	]	]	PUNCT
eurjchem-2546	217	4	.	.	PUNCT
eurjchem-2546	218	1	zgierski	zgierski	PROPN
eurjchem-2546	218	2	,	,	PUNCT
eurjchem-2546	218	3	m.	m.	NOUN
eurjchem-2546	218	4	z.	z.	PROPN
eurjchem-2546	218	5	;	;	PUNCT
eurjchem-2546	218	6	lim	lim	PROPN
eurjchem-2546	218	7	,	,	PUNCT
eurjchem-2546	218	8	e.	e.	PROPN
eurjchem-2546	218	9	c.	c.	PROPN
eurjchem-2546	218	10	nature	nature	NOUN
eurjchem-2546	218	11	of	of	ADP
eurjchem-2546	218	12	the	the	DET
eurjchem-2546	218	13	̀	̀	VERB
eurjchem-2546	218	14	dark	dark	ADJ
eurjchem-2546	218	15	’	'	PUNCT
eurjchem-2546	218	16	state	state	NOUN
eurjchem-2546	218	17	in	in	ADP
eurjchem-2546	218	18	diphenylacetylene	diphenylacetylene	NOUN
eurjchem-2546	218	19	and	and	CCONJ
eurjchem-2546	218	20	related	related	ADJ
eurjchem-2546	218	21	molecules	molecule	NOUN
eurjchem-2546	218	22	:	:	PUNCT
eurjchem-2546	218	23	state	state	NOUN
eurjchem-2546	218	24	switch	switch	NOUN
eurjchem-2546	218	25	from	from	ADP
eurjchem-2546	218	26	the	the	DET
eurjchem-2546	218	27	linear	linear	ADJ
eurjchem-2546	218	28	ππ∗	ππ∗	ADJ
eurjchem-2546	218	29	state	state	NOUN
eurjchem-2546	218	30	to	to	ADP
eurjchem-2546	218	31	the	the	DET
eurjchem-2546	218	32	bent	bent	ADJ
eurjchem-2546	218	33	πσ∗	πσ∗	ADJ
eurjchem-2546	218	34	state	state	NOUN
eurjchem-2546	218	35	.	.	PUNCT
eurjchem-2546	219	1	chem	chem	NOUN
eurjchem-2546	219	2	.	.	PUNCT
eurjchem-2546	220	1	phys	phy	NOUN
eurjchem-2546	220	2	.	.	PUNCT
eurjchem-2546	221	1	lett	lett	PROPN
eurjchem-2546	221	2	.	.	PUNCT
eurjchem-2546	222	1	2004	2004	NUM
eurjchem-2546	222	2	,	,	PUNCT
eurjchem-2546	222	3	387	387	NUM
eurjchem-2546	222	4	,	,	PUNCT
eurjchem-2546	222	5	352–355	352–355	NUM
eurjchem-2546	222	6	.	.	PUNCT
eurjchem-2546	223	1	[	[	X
eurjchem-2546	223	2	9	9	NUM
eurjchem-2546	223	3	]	]	PUNCT
eurjchem-2546	223	4	.	.	PUNCT
eurjchem-2546	224	1	saltiel	saltiel	PROPN
eurjchem-2546	224	2	,	,	PUNCT
eurjchem-2546	224	3	j.	j.	PROPN
eurjchem-2546	224	4	;	;	PUNCT
eurjchem-2546	224	5	kumar	kumar	PROPN
eurjchem-2546	224	6	,	,	PUNCT
eurjchem-2546	224	7	v.	v.	PROPN
eurjchem-2546	224	8	k.	k.	PROPN
eurjchem-2546	224	9	r.	r.	PROPN
eurjchem-2546	224	10	photophysics	photophysics	PROPN
eurjchem-2546	224	11	of	of	ADP
eurjchem-2546	224	12	diphenylacetylene	diphenylacetylene	PROPN
eurjchem-2546	224	13	:	:	PUNCT
eurjchem-2546	224	14	light	light	NOUN
eurjchem-2546	224	15	from	from	ADP
eurjchem-2546	224	16	the	the	DET
eurjchem-2546	224	17	“	"	PUNCT
eurjchem-2546	224	18	dark	dark	ADJ
eurjchem-2546	224	19	state	state	NOUN
eurjchem-2546	224	20	.	.	PUNCT
eurjchem-2546	224	21	”	"	PUNCT
eurjchem-2546	225	1	j.	j.	PROPN
eurjchem-2546	225	2	phys	phys	PROPN
eurjchem-2546	225	3	.	.	PUNCT
eurjchem-2546	226	1	chem	chem	PROPN
eurjchem-2546	226	2	.	.	PUNCT
eurjchem-2546	227	1	a	a	DET
eurjchem-2546	227	2	2012	2012	NUM
eurjchem-2546	227	3	,	,	PUNCT
eurjchem-2546	227	4	116	116	NUM
eurjchem-2546	227	5	,	,	PUNCT
eurjchem-2546	227	6	10548–10558	10548–10558	NUM
eurjchem-2546	227	7	.	.	PUNCT
eurjchem-2546	228	1	[	[	X
eurjchem-2546	228	2	10	10	NUM
eurjchem-2546	228	3	]	]	PUNCT
eurjchem-2546	228	4	.	.	PUNCT
eurjchem-2546	228	5	krämer	krämer	PROPN
eurjchem-2546	228	6	,	,	PUNCT
eurjchem-2546	228	7	m.	m.	NOUN
eurjchem-2546	228	8	;	;	PUNCT
eurjchem-2546	228	9	bunz	bunz	PROPN
eurjchem-2546	228	10	,	,	PUNCT
eurjchem-2546	228	11	u.	u.	PROPN
eurjchem-2546	228	12	h.	h.	PROPN
eurjchem-2546	228	13	f.	f.	PROPN
eurjchem-2546	228	14	;	;	PUNCT
eurjchem-2546	228	15	dreuw	dreuw	PROPN
eurjchem-2546	228	16	,	,	PUNCT
eurjchem-2546	228	17	a.	a.	PROPN
eurjchem-2546	228	18	comprehensive	comprehensive	ADJ
eurjchem-2546	228	19	look	look	VERB
eurjchem-2546	228	20	at	at	ADP
eurjchem-2546	228	21	the	the	DET
eurjchem-2546	228	22	photochemistry	photochemistry	NOUN
eurjchem-2546	228	23	of	of	ADP
eurjchem-2546	228	24	tolane	tolane	NOUN
eurjchem-2546	228	25	.	.	PUNCT
eurjchem-2546	229	1	j.	j.	PROPN
eurjchem-2546	229	2	phys	phys	PROPN
eurjchem-2546	229	3	.	.	PUNCT
eurjchem-2546	230	1	chem	chem	PROPN
eurjchem-2546	230	2	.	.	PUNCT
eurjchem-2546	231	1	a	a	DET
eurjchem-2546	231	2	2017	2017	NUM
eurjchem-2546	231	3	,	,	PUNCT
eurjchem-2546	231	4	121	121	NUM
eurjchem-2546	231	5	,	,	PUNCT
eurjchem-2546	231	6	946–953	946–953	NUM
eurjchem-2546	231	7	.	.	PUNCT
eurjchem-2546	232	1	[	[	X
eurjchem-2546	232	2	11	11	NUM
eurjchem-2546	232	3	]	]	PUNCT
eurjchem-2546	232	4	.	.	PUNCT
eurjchem-2546	233	1	ho	ho	PROPN
eurjchem-2546	233	2	,	,	PUNCT
eurjchem-2546	233	3	e.	e.	PROPN
eurjchem-2546	233	4	k.-l	k.-l	PROPN
eurjchem-2546	233	5	.	.	PUNCT
eurjchem-2546	233	6	;	;	PUNCT
eurjchem-2546	233	7	etienne	etienne	PROPN
eurjchem-2546	233	8	,	,	PUNCT
eurjchem-2546	233	9	t.	t.	PROPN
eurjchem-2546	233	10	;	;	PUNCT
eurjchem-2546	233	11	lasorne	lasorne	PROPN
eurjchem-2546	233	12	,	,	PUNCT
eurjchem-2546	233	13	b.	b.	PROPN
eurjchem-2546	233	14	vibronic	vibronic	NOUN
eurjchem-2546	233	15	properties	property	NOUN
eurjchem-2546	233	16	of	of	ADP
eurjchem-2546	233	17	parapolyphenylene	parapolyphenylene	ADJ
eurjchem-2546	233	18	ethynylenes	ethynylene	NOUN
eurjchem-2546	233	19	:	:	PUNCT
eurjchem-2546	233	20	td	td	ADJ
eurjchem-2546	233	21	-	-	PUNCT
eurjchem-2546	233	22	dft	dft	NOUN
eurjchem-2546	233	23	insights	insight	NOUN
eurjchem-2546	233	24	.	.	PUNCT
eurjchem-2546	234	1	j.	j.	PROPN
eurjchem-2546	234	2	chem	chem	PROPN
eurjchem-2546	234	3	.	.	PUNCT
eurjchem-2546	235	1	phys	phy	NOUN
eurjchem-2546	235	2	.	.	PUNCT
eurjchem-2546	236	1	2017	2017	NUM
eurjchem-2546	236	2	,	,	PUNCT
eurjchem-2546	236	3	146	146	NUM
eurjchem-2546	236	4	,	,	PUNCT
eurjchem-2546	236	5	164303	164303	NUM
eurjchem-2546	236	6	.	.	PUNCT
eurjchem-2546	237	1	[	[	X
eurjchem-2546	237	2	12	12	NUM
eurjchem-2546	237	3	]	]	PUNCT
eurjchem-2546	237	4	.	.	PUNCT
eurjchem-2546	238	1	robertson	robertson	PROPN
eurjchem-2546	238	2	,	,	PUNCT
eurjchem-2546	238	3	c.	c.	PROPN
eurjchem-2546	238	4	;	;	PUNCT
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eurjchem-2546	238	6	,	,	PUNCT
eurjchem-2546	238	7	g.	g.	PROPN
eurjchem-2546	238	8	a.	a.	PROPN
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eurjchem-2546	238	10	the	the	DET
eurjchem-2546	238	11	non	non	ADJ
eurjchem-2546	238	12	-	-	ADJ
eurjchem-2546	238	13	radiative	radiative	ADJ
eurjchem-2546	238	14	singlet	singlet	NOUN
eurjchem-2546	238	15	excited	excited	ADJ
eurjchem-2546	238	16	state	state	NOUN
eurjchem-2546	238	17	isomerization	isomerization	NOUN
eurjchem-2546	238	18	of	of	ADP
eurjchem-2546	238	19	diphenyl	diphenyl	NOUN
eurjchem-2546	238	20	-	-	PUNCT
eurjchem-2546	238	21	acetylene	acetylene	NOUN
eurjchem-2546	238	22	:	:	PUNCT
eurjchem-2546	238	23	a	a	DET
eurjchem-2546	238	24	vibronic	vibronic	NOUN
eurjchem-2546	238	25	coupling	couple	VERB
eurjchem-2546	238	26	model	model	NOUN
eurjchem-2546	238	27	.	.	PUNCT
eurjchem-2546	239	1	chem	chem	NOUN
eurjchem-2546	239	2	.	.	PUNCT
eurjchem-2546	240	1	phys	phy	NOUN
eurjchem-2546	240	2	.	.	PUNCT
eurjchem-2546	241	1	2018	2018	NUM
eurjchem-2546	241	2	,	,	PUNCT
eurjchem-2546	241	3	510	510	NUM
eurjchem-2546	241	4	,	,	PUNCT
eurjchem-2546	241	5	17–29	17–29	NUM
eurjchem-2546	241	6	.	.	PUNCT
eurjchem-2546	242	1	[	[	X
eurjchem-2546	242	2	13	13	NUM
eurjchem-2546	242	3	]	]	PUNCT
eurjchem-2546	242	4	.	.	PUNCT
eurjchem-2546	243	1	flock	flock	NOUN
eurjchem-2546	243	2	,	,	PUNCT
eurjchem-2546	243	3	m.	m.	NOUN
eurjchem-2546	243	4	;	;	PUNCT
eurjchem-2546	243	5	bosse	bosse	X
eurjchem-2546	243	6	,	,	PUNCT
eurjchem-2546	243	7	l.	l.	PROPN
eurjchem-2546	243	8	;	;	PUNCT
eurjchem-2546	243	9	kaiser	kaiser	PROPN
eurjchem-2546	243	10	,	,	PUNCT
eurjchem-2546	243	11	d.	d.	PROPN
eurjchem-2546	243	12	;	;	PUNCT
eurjchem-2546	243	13	engels	engels	PROPN
eurjchem-2546	243	14	,	,	PUNCT
eurjchem-2546	243	15	b.	b.	PROPN
eurjchem-2546	243	16	;	;	PUNCT
eurjchem-2546	243	17	fischer	fischer	PROPN
eurjchem-2546	243	18	,	,	PUNCT
eurjchem-2546	243	19	i.	i.	PROPN
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eurjchem-2546	243	21	time	time	NOUN
eurjchem-2546	243	22	-	-	PUNCT
eurjchem-2546	243	23	resolved	resolve	VERB
eurjchem-2546	243	24	photoelectron	photoelectron	NOUN
eurjchem-2546	243	25	imaging	imaging	NOUN
eurjchem-2546	243	26	study	study	NOUN
eurjchem-2546	243	27	on	on	ADP
eurjchem-2546	243	28	isolated	isolated	ADJ
eurjchem-2546	243	29	tolane	tolane	NOUN
eurjchem-2546	243	30	:	:	PUNCT
eurjchem-2546	243	31	observation	observation	NOUN
eurjchem-2546	243	32	of	of	ADP
eurjchem-2546	243	33	the	the	DET
eurjchem-2546	243	34	biradicalic	biradicalic	ADJ
eurjchem-2546	243	35	1au	1au	ADJ
eurjchem-2546	243	36	state	state	NOUN
eurjchem-2546	243	37	.	.	PUNCT
eurjchem-2546	244	1	phys	phy	NOUN
eurjchem-2546	244	2	.	.	PUNCT
eurjchem-2546	245	1	chem	chem	PROPN
eurjchem-2546	245	2	.	.	PUNCT
eurjchem-2546	246	1	chem	chem	NOUN
eurjchem-2546	246	2	.	.	PUNCT
eurjchem-2546	247	1	phys	phy	NOUN
eurjchem-2546	247	2	.	.	PUNCT
eurjchem-2546	248	1	2019	2019	NUM
eurjchem-2546	248	2	,	,	PUNCT
eurjchem-2546	248	3	21	21	NUM
eurjchem-2546	248	4	,	,	PUNCT
eurjchem-2546	248	5	13157–13164	13157–13164	NOUN
eurjchem-2546	248	6	.	.	PUNCT
eurjchem-2546	249	1	[	[	X
eurjchem-2546	249	2	14	14	NUM
eurjchem-2546	249	3	]	]	SYM
eurjchem-2546	249	4	.	.	PUNCT
eurjchem-2546	250	1	fan	fan	PROPN
eurjchem-2546	250	2	,	,	PUNCT
eurjchem-2546	250	3	l.-x	l.-x	PROPN
eurjchem-2546	250	4	.	.	PUNCT
eurjchem-2546	250	5	;	;	PUNCT
eurjchem-2546	251	1	chen	chen	PROPN
eurjchem-2546	251	2	,	,	PUNCT
eurjchem-2546	251	3	l.	l.	PROPN
eurjchem-2546	251	4	;	;	PUNCT
eurjchem-2546	251	5	zhang	zhang	PROPN
eurjchem-2546	251	6	,	,	PUNCT
eurjchem-2546	251	7	h.-y	h.-y	NOUN
eurjchem-2546	251	8	.	.	PUNCT
eurjchem-2546	251	9	;	;	PUNCT
eurjchem-2546	251	10	xu	xu	PROPN
eurjchem-2546	251	11	,	,	PUNCT
eurjchem-2546	251	12	w.-h	w.-h	NOUN
eurjchem-2546	251	13	.	.	PUNCT
eurjchem-2546	251	14	;	;	PUNCT
eurjchem-2546	251	15	wang	wang	PROPN
eurjchem-2546	251	16	,	,	PUNCT
eurjchem-2546	251	17	x.-l	x.-l	PROPN
eurjchem-2546	251	18	.	.	PUNCT
eurjchem-2546	251	19	;	;	PUNCT
eurjchem-2546	251	20	xu	xu	PROPN
eurjchem-2546	251	21	,	,	PUNCT
eurjchem-2546	251	22	s.	s.	PROPN
eurjchem-2546	251	23	;	;	PUNCT
eurjchem-2546	251	24	wang	wang	PROPN
eurjchem-2546	251	25	,	,	PUNCT
eurjchem-2546	251	26	y.-z	y.-z	PROPN
eurjchem-2546	251	27	.	.	PUNCT
eurjchem-2546	252	1	dual	dual	ADJ
eurjchem-2546	252	2	photo	photo	NOUN
eurjchem-2546	252	3	-	-	PUNCT
eurjchem-2546	252	4	responsive	responsive	ADJ
eurjchem-2546	252	5	diphenylacetylene	diphenylacetylene	NOUN
eurjchem-2546	252	6	enables	enable	VERB
eurjchem-2546	252	7	pet	pet	ADJ
eurjchem-2546	252	8	in	in	ADP
eurjchem-2546	252	9	-	-	PUNCT
eurjchem-2546	252	10	situ	situ	NOUN
eurjchem-2546	252	11	upcycling	upcycling	NOUN
eurjchem-2546	252	12	with	with	ADP
eurjchem-2546	252	13	reverse	reverse	ADJ
eurjchem-2546	252	14	enhanced	enhance	VERB
eurjchem-2546	252	15	uv	uv	NOUN
eurjchem-2546	252	16	-	-	PUNCT
eurjchem-2546	252	17	resistance	resistance	NOUN
eurjchem-2546	252	18	and	and	CCONJ
eurjchem-2546	252	19	strength	strength	NOUN
eurjchem-2546	252	20	.	.	PUNCT
eurjchem-2546	253	1	angew	angew	PROPN
eurjchem-2546	253	2	.	.	PUNCT
eurjchem-2546	254	1	chem	chem	PROPN
eurjchem-2546	254	2	.	.	PUNCT
eurjchem-2546	255	1	int	int	NOUN
eurjchem-2546	255	2	.	.	PUNCT
eurjchem-2546	256	1	ed	ed	PROPN
eurjchem-2546	256	2	engl	engl	PROPN
eurjchem-2546	256	3	.	.	PROPN
eurjchem-2546	257	1	2023	2023	NUM
eurjchem-2546	257	2	,	,	PUNCT
eurjchem-2546	257	3	62	62	NUM
eurjchem-2546	257	4	,	,	PUNCT
eurjchem-2546	257	5	e202314448	e202314448	NOUN
eurjchem-2546	257	6	.	.	PUNCT
eurjchem-2546	258	1	[	[	X
eurjchem-2546	258	2	15	15	NUM
eurjchem-2546	258	3	]	]	PUNCT
eurjchem-2546	258	4	.	.	PUNCT
eurjchem-2546	259	1	thulstrup	thulstrup	NOUN
eurjchem-2546	259	2	,	,	PUNCT
eurjchem-2546	259	3	p.	p.	PROPN
eurjchem-2546	259	4	w.	w.	PROPN
eurjchem-2546	259	5	;	;	PUNCT
eurjchem-2546	259	6	hoffmann	hoffmann	PROPN
eurjchem-2546	259	7	,	,	PUNCT
eurjchem-2546	259	8	s.	s.	PROPN
eurjchem-2546	259	9	v.	v.	PROPN
eurjchem-2546	259	10	;	;	PUNCT
eurjchem-2546	259	11	hansen	hansen	PROPN
eurjchem-2546	259	12	,	,	PUNCT
eurjchem-2546	259	13	b.	b.	PROPN
eurjchem-2546	259	14	k.	k.	PROPN
eurjchem-2546	260	1	v.	v.	PROPN
eurjchem-2546	260	2	;	;	PUNCT
eurjchem-2546	260	3	spanget	spanget	NOUN
eurjchem-2546	260	4	-	-	PUNCT
eurjchem-2546	260	5	larsen	larsen	PROPN
eurjchem-2546	260	6	,	,	PUNCT
eurjchem-2546	260	7	j.	j.	PROPN
eurjchem-2546	260	8	unique	unique	ADJ
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eurjchem-2546	260	10	between	between	ADP
eurjchem-2546	260	11	electronic	electronic	ADJ
eurjchem-2546	260	12	states	state	NOUN
eurjchem-2546	260	13	and	and	CCONJ
eurjchem-2546	260	14	dihedral	dihedral	ADJ
eurjchem-2546	260	15	angle	angle	NOUN
eurjchem-2546	260	16	for	for	ADP
eurjchem-2546	260	17	the	the	DET
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eurjchem-2546	260	19	rotor	rotor	NOUN
eurjchem-2546	260	20	diphenyldiacetylene	diphenyldiacetylene	NOUN
eurjchem-2546	260	21	.	.	PUNCT
eurjchem-2546	261	1	phys	phy	NOUN
eurjchem-2546	261	2	.	.	PUNCT
eurjchem-2546	262	1	chem	chem	PROPN
eurjchem-2546	262	2	.	.	PUNCT
eurjchem-2546	263	1	chem	chem	NOUN
eurjchem-2546	263	2	.	.	PUNCT
eurjchem-2546	264	1	phys	phy	NOUN
eurjchem-2546	264	2	.	.	PUNCT
eurjchem-2546	265	1	2011	2011	NUM
eurjchem-2546	265	2	,	,	PUNCT
eurjchem-2546	265	3	13	13	NUM
eurjchem-2546	265	4	,	,	PUNCT
eurjchem-2546	265	5	16168–16174	16168–16174	NUM
eurjchem-2546	265	6	.	.	PUNCT
eurjchem-2546	266	1	[	[	X
eurjchem-2546	266	2	16	16	NUM
eurjchem-2546	266	3	]	]	PUNCT
eurjchem-2546	266	4	.	.	PUNCT
eurjchem-2546	267	1	nguyen	nguyen	PROPN
eurjchem-2546	267	2	,	,	PUNCT
eurjchem-2546	267	3	d.	d.	PROPN
eurjchem-2546	267	4	d.	d.	PROPN
eurjchem-2546	267	5	;	;	PUNCT
eurjchem-2546	267	6	jones	jones	PROPN
eurjchem-2546	267	7	,	,	PUNCT
eurjchem-2546	267	8	n.	n.	PROPN
eurjchem-2546	267	9	c.	c.	PROPN
eurjchem-2546	267	10	;	;	PUNCT
eurjchem-2546	267	11	hoffmann	hoffmann	PROPN
eurjchem-2546	267	12	,	,	PUNCT
eurjchem-2546	267	13	s.	s.	PROPN
eurjchem-2546	267	14	v.	v.	PROPN
eurjchem-2546	267	15	;	;	PUNCT
eurjchem-2546	267	16	andersen	andersen	PROPN
eurjchem-2546	267	17	,	,	PUNCT
eurjchem-2546	267	18	s.	s.	PROPN
eurjchem-2546	267	19	h.	h.	PROPN
eurjchem-2546	267	20	;	;	PUNCT
eurjchem-2546	267	21	thulstrup	thulstrup	NOUN
eurjchem-2546	267	22	,	,	PUNCT
eurjchem-2546	267	23	p.	p.	PROPN
eurjchem-2546	267	24	w.	w.	PROPN
eurjchem-2546	267	25	;	;	PUNCT
eurjchem-2546	267	26	spanget	spanget	NOUN
eurjchem-2546	267	27	-	-	PUNCT
eurjchem-2546	267	28	larsen	larsen	PROPN
eurjchem-2546	267	29	,	,	PUNCT
eurjchem-2546	267	30	j.	j.	PROPN
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eurjchem-2546	267	32	states	state	NOUN
eurjchem-2546	267	33	of	of	ADP
eurjchem-2546	267	34	1,4bis(phenylethynyl)benzene	1,4bis(phenylethynyl)benzene	NOUN
eurjchem-2546	267	35	:	:	PUNCT
eurjchem-2546	267	36	a	a	DET
eurjchem-2546	267	37	synchrotron	synchrotron	NOUN
eurjchem-2546	267	38	radiation	radiation	NOUN
eurjchem-2546	267	39	linear	linear	NOUN
eurjchem-2546	267	40	dichroism	dichroism	NOUN
eurjchem-2546	267	41	investigation	investigation	NOUN
eurjchem-2546	267	42	.	.	PUNCT
eurjchem-2546	268	1	chem	chem	NOUN
eurjchem-2546	268	2	.	.	PUNCT
eurjchem-2546	269	1	phys	phy	NOUN
eurjchem-2546	269	2	.	.	PUNCT
eurjchem-2546	270	1	2012	2012	NUM
eurjchem-2546	270	2	,	,	PUNCT
eurjchem-2546	270	3	392	392	NUM
eurjchem-2546	270	4	,	,	PUNCT
eurjchem-2546	270	5	130–135	130–135	NUM
eurjchem-2546	270	6	.	.	PUNCT
eurjchem-2546	271	1	[	[	X
eurjchem-2546	271	2	17	17	NUM
eurjchem-2546	271	3	]	]	PUNCT
eurjchem-2546	271	4	.	.	PUNCT
eurjchem-2546	271	5	michl	michl	PROPN
eurjchem-2546	271	6	,	,	PUNCT
eurjchem-2546	271	7	j.	j.	PROPN
eurjchem-2546	271	8	;	;	PUNCT
eurjchem-2546	271	9	thulstrup	thulstrup	NOUN
eurjchem-2546	271	10	,	,	PUNCT
eurjchem-2546	271	11	e.	e.	PROPN
eurjchem-2546	271	12	w.	w.	PROPN
eurjchem-2546	271	13	spectroscopy	spectroscopy	VERB
eurjchem-2546	271	14	with	with	ADP
eurjchem-2546	271	15	polarized	polarize	VERB
eurjchem-2546	271	16	light	light	NOUN
eurjchem-2546	271	17	:	:	PUNCT
eurjchem-2546	271	18	solute	solute	VERB
eurjchem-2546	271	19	alignment	alignment	NOUN
eurjchem-2546	271	20	by	by	ADP
eurjchem-2546	271	21	photoselection	photoselection	NOUN
eurjchem-2546	271	22	,	,	PUNCT
eurjchem-2546	271	23	liquid	liquid	ADJ
eurjchem-2546	271	24	crystal	crystal	NOUN
eurjchem-2546	271	25	,	,	PUNCT
eurjchem-2546	271	26	polymers	polymer	NOUN
eurjchem-2546	271	27	,	,	PUNCT
eurjchem-2546	271	28	and	and	CCONJ
eurjchem-2546	271	29	membranes	membrane	NOUN
eurjchem-2546	271	30	;	;	PUNCT
eurjchem-2546	271	31	john	john	PROPN
eurjchem-2546	271	32	wiley	wiley	PROPN
eurjchem-2546	271	33	&	&	CCONJ
eurjchem-2546	271	34	sons	sons	PROPN
eurjchem-2546	271	35	:	:	PUNCT
eurjchem-2546	271	36	nashville	nashville	PROPN
eurjchem-2546	271	37	,	,	PUNCT
eurjchem-2546	271	38	tn	tn	PROPN
eurjchem-2546	271	39	,	,	PUNCT
eurjchem-2546	271	40	1995	1995	NUM
eurjchem-2546	271	41	.	.	PUNCT
eurjchem-2546	272	1	[	[	X
eurjchem-2546	272	2	18	18	NUM
eurjchem-2546	272	3	]	]	PUNCT
eurjchem-2546	272	4	.	.	PUNCT
eurjchem-2546	272	5	thulstrup	thulstrup	NOUN
eurjchem-2546	272	6	,	,	PUNCT
eurjchem-2546	272	7	e.	e.	PROPN
eurjchem-2546	272	8	w.	w.	PROPN
eurjchem-2546	272	9	;	;	PUNCT
eurjchem-2546	272	10	michl	michl	PROPN
eurjchem-2546	272	11	,	,	PUNCT
eurjchem-2546	272	12	j.	j.	PROPN
eurjchem-2546	272	13	elementary	elementary	PROPN
eurjchem-2546	272	14	polarization	polarization	PROPN
eurjchem-2546	272	15	spectroscopy	spectroscopy	NOUN
eurjchem-2546	272	16	;	;	PUNCT
eurjchem-2546	272	17	john	john	PROPN
eurjchem-2546	272	18	wiley	wiley	PROPN
eurjchem-2546	272	19	&	&	CCONJ
eurjchem-2546	272	20	sons	sons	PROPN
eurjchem-2546	272	21	:	:	PUNCT
eurjchem-2546	272	22	nashville	nashville	PROPN
eurjchem-2546	272	23	,	,	PUNCT
eurjchem-2546	272	24	tn	tn	PROPN
eurjchem-2546	272	25	,	,	PUNCT
eurjchem-2546	272	26	1997	1997	NUM
eurjchem-2546	272	27	.	.	PUNCT
eurjchem-2546	273	1	[	[	X
eurjchem-2546	273	2	19	19	NUM
eurjchem-2546	273	3	]	]	PUNCT
eurjchem-2546	273	4	.	.	PUNCT
eurjchem-2546	274	1	madsen	madsen	PROPN
eurjchem-2546	274	2	,	,	PUNCT
eurjchem-2546	274	3	f.	f.	PROPN
eurjchem-2546	274	4	;	;	PUNCT
eurjchem-2546	274	5	terpager	terpager	PROPN
eurjchem-2546	274	6	,	,	PUNCT
eurjchem-2546	274	7	i.	i.	NOUN
eurjchem-2546	274	8	;	;	PUNCT
eurjchem-2546	274	9	olskær	olskær	NOUN
eurjchem-2546	274	10	,	,	PUNCT
eurjchem-2546	274	11	k.	k.	PROPN
eurjchem-2546	274	12	;	;	PUNCT
eurjchem-2546	274	13	spanget	spanget	NOUN
eurjchem-2546	274	14	-	-	PUNCT
eurjchem-2546	274	15	larsen	larsen	PROPN
eurjchem-2546	274	16	,	,	PUNCT
eurjchem-2546	274	17	j.	j.	PROPN
eurjchem-2546	274	18	ultravioletvisible	ultravioletvisible	PROPN
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eurjchem-2546	274	20	infrared	infrared	ADJ
eurjchem-2546	274	21	linear	linear	ADJ
eurjchem-2546	274	22	dichroism	dichroism	NOUN
eurjchem-2546	274	23	spectroscopy	spectroscopy	NOUN
eurjchem-2546	274	24	of	of	ADP
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eurjchem-2546	274	26	-	-	PUNCT
eurjchem-2546	274	27	dihydroxy9,10	dihydroxy9,10	NOUN
eurjchem-2546	274	28	-	-	PUNCT
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eurjchem-2546	274	31	in	in	ADP
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eurjchem-2546	274	33	polyethylene	polyethylene	NOUN
eurjchem-2546	274	34	.	.	PUNCT
eurjchem-2546	275	1	chem	chem	NOUN
eurjchem-2546	275	2	.	.	PUNCT
eurjchem-2546	276	1	phys	phy	NOUN
eurjchem-2546	276	2	.	.	PUNCT
eurjchem-2546	277	1	1992	1992	NUM
eurjchem-2546	277	2	,	,	PUNCT
eurjchem-2546	277	3	165	165	NUM
eurjchem-2546	277	4	,	,	PUNCT
eurjchem-2546	277	5	351–360	351–360	NUM
eurjchem-2546	277	6	.	.	PUNCT
eurjchem-2546	278	1	[	[	X
eurjchem-2546	278	2	20	20	NUM
eurjchem-2546	278	3	]	]	PUNCT
eurjchem-2546	278	4	.	.	PUNCT
eurjchem-2546	279	1	rodger	rodger	PROPN
eurjchem-2546	279	2	,	,	PUNCT
eurjchem-2546	279	3	a.	a.	NOUN
eurjchem-2546	279	4	;	;	PUNCT
eurjchem-2546	279	5	norden	norden	PROPN
eurjchem-2546	279	6	,	,	PUNCT
eurjchem-2546	279	7	b.	b.	PROPN
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eurjchem-2546	279	9	dichroism	dichroism	NOUN
eurjchem-2546	279	10	and	and	CCONJ
eurjchem-2546	279	11	linear	linear	ADJ
eurjchem-2546	279	12	dichroism	dichroism	NOUN
eurjchem-2546	279	13	;	;	PUNCT
eurjchem-2546	279	14	oxford	oxford	PROPN
eurjchem-2546	279	15	university	university	PROPN
eurjchem-2546	279	16	press	press	NOUN
eurjchem-2546	279	17	:	:	PUNCT
eurjchem-2546	279	18	london	london	PROPN
eurjchem-2546	279	19	,	,	PUNCT
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eurjchem-2546	279	21	,	,	PUNCT
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eurjchem-2546	279	23	.	.	PUNCT
eurjchem-2546	280	1	[	[	X
eurjchem-2546	280	2	21	21	NUM
eurjchem-2546	280	3	]	]	PUNCT
eurjchem-2546	280	4	.	.	PUNCT
eurjchem-2546	281	1	nordén	nordén	PROPN
eurjchem-2546	281	2	,	,	PUNCT
eurjchem-2546	281	3	b.	b.	PROPN
eurjchem-2546	281	4	;	;	PUNCT
eurjchem-2546	281	5	rodger	rodger	PROPN
eurjchem-2546	281	6	,	,	PUNCT
eurjchem-2546	281	7	a.	a.	NOUN
eurjchem-2546	281	8	;	;	PUNCT
eurjchem-2546	281	9	dafforn	dafforn	ADJ
eurjchem-2546	281	10	,	,	PUNCT
eurjchem-2546	281	11	t.	t.	NOUN
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eurjchem-2546	281	13	dichroism	dichroism	NOUN
eurjchem-2546	281	14	and	and	CCONJ
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eurjchem-2546	281	17	:	:	PUNCT
eurjchem-2546	281	18	a	a	DET
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eurjchem-2546	281	21	polarized	polarize	VERB
eurjchem-2546	281	22	-	-	PUNCT
eurjchem-2546	281	23	light	light	NOUN
eurjchem-2546	281	24	spectroscopy	spectroscopy	NOUN
eurjchem-2546	281	25	;	;	PUNCT
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eurjchem-2546	281	30	:	:	PUNCT
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eurjchem-2546	281	36	.	.	PUNCT
eurjchem-2546	282	1	[	[	X
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eurjchem-2546	282	3	]	]	PUNCT
eurjchem-2546	282	4	.	.	PUNCT
eurjchem-2546	283	1	thulstrup	thulstrup	NOUN
eurjchem-2546	283	2	,	,	PUNCT
eurjchem-2546	283	3	e.	e.	PROPN
eurjchem-2546	283	4	w.	w.	PROPN
eurjchem-2546	283	5	;	;	PUNCT
eurjchem-2546	283	6	waluk	waluk	PROPN
eurjchem-2546	283	7	,	,	PUNCT
eurjchem-2546	283	8	j.	j.	PROPN
eurjchem-2546	283	9	;	;	PUNCT
eurjchem-2546	283	10	spanget	spanget	NOUN
eurjchem-2546	283	11	-	-	PUNCT
eurjchem-2546	283	12	larsen	larsen	PROPN
eurjchem-2546	283	13	,	,	PUNCT
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eurjchem-2546	283	18	and	and	CCONJ
eurjchem-2546	283	19	spectrometry	spectrometry	NOUN
eurjchem-2546	283	20	;	;	PUNCT
eurjchem-2546	283	21	third	third	ADJ
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eurjchem-2546	283	23	,	,	PUNCT
eurjchem-2546	283	24	j.c	j.c	PROPN
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eurjchem-2546	283	27	,	,	PUNCT
eurjchem-2546	283	28	g.e	g.e	PROPN
eurjchem-2546	283	29	.	.	PROPN
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eurjchem-2546	283	31	,	,	PUNCT
eurjchem-2546	283	32	d.w	d.w	PROPN
eurjchem-2546	283	33	.	.	PROPN
eurjchem-2546	283	34	koppenaal	koppenaal	PROPN
eurjchem-2546	283	35	,	,	PUNCT
eurjchem-2546	283	36	eds	ed	NOUN
eurjchem-2546	283	37	.	.	PUNCT
eurjchem-2546	283	38	academic	academic	ADJ
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eurjchem-2546	283	40	,	,	PUNCT
eurjchem-2546	283	41	oxford	oxford	PROPN
eurjchem-2546	283	42	,	,	PUNCT
eurjchem-2546	283	43	uk	uk	PROPN
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eurjchem-2546	284	1	pp	pp	ADV
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eurjchem-2546	284	3	-	-	SYM
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eurjchem-2546	284	5	.	.	PUNCT
eurjchem-2546	285	1	[	[	X
eurjchem-2546	285	2	23	23	NUM
eurjchem-2546	285	3	]	]	PUNCT
eurjchem-2546	285	4	.	.	PUNCT
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eurjchem-2546	286	2	,	,	PUNCT
eurjchem-2546	286	3	a.	a.	PROPN
eurjchem-2546	286	4	j.	j.	PROPN
eurjchem-2546	286	5	;	;	PUNCT
eurjchem-2546	286	6	hoffmann	hoffmann	PROPN
eurjchem-2546	286	7	,	,	PUNCT
eurjchem-2546	286	8	s.	s.	PROPN
eurjchem-2546	286	9	v.	v.	PROPN
eurjchem-2546	286	10	;	;	PUNCT
eurjchem-2546	286	11	tao	tao	PROPN
eurjchem-2546	286	12	,	,	PUNCT
eurjchem-2546	286	13	y.	y.	PROPN
eurjchem-2546	286	14	;	;	PUNCT
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eurjchem-2546	286	17	r.	r.	PROPN
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eurjchem-2546	286	19	;	;	PUNCT
eurjchem-2546	286	20	wallace	wallace	PROPN
eurjchem-2546	286	21	,	,	PUNCT
eurjchem-2546	286	22	b.	b.	PROPN
eurjchem-2546	286	23	a.	a.	NOUN
eurjchem-2546	286	24	synchrotron	synchrotron	PROPN
eurjchem-2546	286	25	radiation	radiation	NOUN
eurjchem-2546	286	26	circular	circular	ADJ
eurjchem-2546	286	27	dichroism	dichroism	NOUN
eurjchem-2546	286	28	(	(	PUNCT
eurjchem-2546	286	29	srcd	srcd	NOUN
eurjchem-2546	286	30	)	)	PUNCT
eurjchem-2546	286	31	spectroscopy	spectroscopy	NOUN
eurjchem-2546	286	32	:	:	PUNCT
eurjchem-2546	286	33	new	new	ADJ
eurjchem-2546	286	34	beamlines	beamline	NOUN
eurjchem-2546	286	35	and	and	CCONJ
eurjchem-2546	286	36	new	new	ADJ
eurjchem-2546	286	37	applications	application	NOUN
eurjchem-2546	286	38	in	in	ADP
eurjchem-2546	286	39	biology	biology	NOUN
eurjchem-2546	286	40	.	.	PUNCT
eurjchem-2546	287	1	spectrosc	spectrosc	PROPN
eurjchem-2546	287	2	.	.	PUNCT
eurjchem-2546	288	1	int	int	NOUN
eurjchem-2546	288	2	.	.	PUNCT
eurjchem-2546	289	1	j.	j.	PROPN
eurjchem-2546	289	2	2007	2007	NUM
eurjchem-2546	289	3	,	,	PUNCT
eurjchem-2546	289	4	21	21	NUM
eurjchem-2546	289	5	,	,	PUNCT
eurjchem-2546	289	6	245–255	245–255	NUM
eurjchem-2546	289	7	.	.	PUNCT
eurjchem-2546	290	1	[	[	X
eurjchem-2546	290	2	24	24	NUM
eurjchem-2546	290	3	]	]	PUNCT
eurjchem-2546	290	4	.	.	PUNCT
eurjchem-2546	291	1	miles	mile	NOUN
eurjchem-2546	291	2	,	,	PUNCT
eurjchem-2546	291	3	a.	a.	PROPN
eurjchem-2546	291	4	j.	j.	PROPN
eurjchem-2546	291	5	;	;	PUNCT
eurjchem-2546	291	6	janes	janes	PROPN
eurjchem-2546	291	7	,	,	PUNCT
eurjchem-2546	291	8	r.	r.	PROPN
eurjchem-2546	291	9	w.	w.	PROPN
eurjchem-2546	291	10	;	;	PUNCT
eurjchem-2546	291	11	brown	brown	PROPN
eurjchem-2546	291	12	,	,	PUNCT
eurjchem-2546	291	13	a.	a.	NOUN
eurjchem-2546	291	14	;	;	PUNCT
eurjchem-2546	291	15	clarke	clarke	PROPN
eurjchem-2546	291	16	,	,	PUNCT
eurjchem-2546	291	17	d.	d.	PROPN
eurjchem-2546	291	18	t.	t.	PROPN
eurjchem-2546	291	19	;	;	PUNCT
eurjchem-2546	291	20	sutherland	sutherland	PROPN
eurjchem-2546	291	21	,	,	PUNCT
eurjchem-2546	291	22	j.	j.	PROPN
eurjchem-2546	291	23	c.	c.	PROPN
eurjchem-2546	291	24	;	;	PUNCT
eurjchem-2546	291	25	tao	tao	PROPN
eurjchem-2546	291	26	,	,	PUNCT
eurjchem-2546	291	27	y.	y.	PROPN
eurjchem-2546	291	28	;	;	PUNCT
eurjchem-2546	291	29	wallace	wallace	PROPN
eurjchem-2546	291	30	,	,	PUNCT
eurjchem-2546	291	31	b.	b.	PROPN
eurjchem-2546	291	32	a.	a.	PROPN
eurjchem-2546	291	33	;	;	PUNCT
eurjchem-2546	291	34	hoffmann	hoffmann	PROPN
eurjchem-2546	291	35	,	,	PUNCT
eurjchem-2546	291	36	s.	s.	PROPN
eurjchem-2546	291	37	v.	v.	ADP
eurjchem-2546	291	38	light	light	PROPN
eurjchem-2546	291	39	flux	flux	PROPN
eurjchem-2546	291	40	density	density	NOUN
eurjchem-2546	291	41	threshold	threshold	NOUN
eurjchem-2546	291	42	at	at	ADP
eurjchem-2546	291	43	which	which	PRON
eurjchem-2546	291	44	protein	protein	NOUN
eurjchem-2546	291	45	denaturation	denaturation	NOUN
eurjchem-2546	291	46	is	be	AUX
eurjchem-2546	291	47	induced	induce	VERB
eurjchem-2546	291	48	by	by	ADP
eurjchem-2546	291	49	synchrotron	synchrotron	NOUN
eurjchem-2546	291	50	radiation	radiation	NOUN
eurjchem-2546	291	51	circular	circular	ADJ
eurjchem-2546	291	52	dichroism	dichroism	NOUN
eurjchem-2546	291	53	beamlines	beamline	NOUN
eurjchem-2546	291	54	.	.	PUNCT
eurjchem-2546	292	1	j.	j.	PROPN
eurjchem-2546	292	2	synchrotron	synchrotron	PROPN
eurjchem-2546	292	3	radiat	radiat	PROPN
eurjchem-2546	292	4	.	.	PUNCT
eurjchem-2546	293	1	2008	2008	NUM
eurjchem-2546	293	2	,	,	PUNCT
eurjchem-2546	293	3	15	15	NUM
eurjchem-2546	293	4	,	,	PUNCT
eurjchem-2546	293	5	420–422	420–422	NUM
eurjchem-2546	293	6	.	.	PUNCT
eurjchem-2546	294	1	[	[	X
eurjchem-2546	294	2	25	25	NUM
eurjchem-2546	294	3	]	]	PUNCT
eurjchem-2546	294	4	.	.	PUNCT
eurjchem-2546	295	1	spanget	spanget	NOUN
eurjchem-2546	295	2	-	-	PUNCT
eurjchem-2546	295	3	larsen	larsen	PROPN
eurjchem-2546	295	4	,	,	PUNCT
eurjchem-2546	295	5	j.	j.	PROPN
eurjchem-2546	295	6	the	the	DET
eurjchem-2546	295	7	alternant	alternant	ADJ
eurjchem-2546	295	8	hydrocarbon	hydrocarbon	NOUN
eurjchem-2546	295	9	pairing	pairing	NOUN
eurjchem-2546	295	10	theorem	theorem	NOUN
eurjchem-2546	295	11	and	and	CCONJ
eurjchem-2546	295	12	all	all	DET
eurjchem-2546	295	13	-	-	PUNCT
eurjchem-2546	295	14	valence	valence	NOUN
eurjchem-2546	295	15	electrons	electron	NOUN
eurjchem-2546	295	16	theory	theory	NOUN
eurjchem-2546	295	17	.	.	PUNCT
eurjchem-2546	296	1	an	an	DET
eurjchem-2546	296	2	approximate	approximate	ADJ
eurjchem-2546	296	3	lcoao	lcoao	NOUN
eurjchem-2546	296	4	theory	theory	NOUN
eurjchem-2546	296	5	for	for	ADP
eurjchem-2546	296	6	the	the	DET
eurjchem-2546	296	7	electronic	electronic	ADJ
eurjchem-2546	296	8	absorption	absorption	NOUN
eurjchem-2546	296	9	and	and	CCONJ
eurjchem-2546	296	10	mcd	mcd	PROPN
eurjchem-2546	296	11	spectra	spectra	NOUN
eurjchem-2546	296	12	of	of	ADP
eurjchem-2546	296	13	conjugated	conjugate	VERB
eurjchem-2546	296	14	organic	organic	ADJ
eurjchem-2546	296	15	compounds	compound	NOUN
eurjchem-2546	296	16	.	.	PUNCT
eurjchem-2546	297	1	1	1	X
eurjchem-2546	297	2	.	.	X
eurjchem-2546	297	3	croat	croat	PROPN
eurjchem-2546	297	4	.	.	PUNCT
eurjchem-2546	298	1	chem	chem	PROPN
eurjchem-2546	298	2	.	.	PUNCT
eurjchem-2546	299	1	acta	acta	PROPN
eurjchem-2546	299	2	.	.	PUNCT
eurjchem-2546	300	1	1986	1986	NUM
eurjchem-2546	300	2	,	,	PUNCT
eurjchem-2546	300	3	59	59	NUM
eurjchem-2546	300	4	,	,	PUNCT
eurjchem-2546	300	5	711	711	NOUN
eurjchem-2546	300	6	-	-	SYM
eurjchem-2546	300	7	717	717	NUM
eurjchem-2546	300	8	.	.	PUNCT
eurjchem-2546	301	1	https://hrcak.srce.hr/file/261320	https://hrcak.srce.hr/file/261320	NOUN
eurjchem-2546	301	2	.	.	PUNCT
eurjchem-2546	302	1	[	[	X
eurjchem-2546	302	2	26	26	NUM
eurjchem-2546	302	3	]	]	PUNCT
eurjchem-2546	302	4	.	.	PUNCT
eurjchem-2546	303	1	spanget	spanget	NOUN
eurjchem-2546	303	2	-	-	PUNCT
eurjchem-2546	303	3	larsen	larsen	PROPN
eurjchem-2546	303	4	,	,	PUNCT
eurjchem-2546	303	5	j.	j.	PROPN
eurjchem-2546	303	6	the	the	DET
eurjchem-2546	303	7	alternant	alternant	ADJ
eurjchem-2546	303	8	hydrocarbon	hydrocarbon	NOUN
eurjchem-2546	303	9	pairing	pairing	NOUN
eurjchem-2546	303	10	theorem	theorem	NOUN
eurjchem-2546	303	11	and	and	CCONJ
eurjchem-2546	303	12	allvalence	allvalence	NOUN
eurjchem-2546	303	13	electrons	electron	NOUN
eurjchem-2546	303	14	theory	theory	NOUN
eurjchem-2546	303	15	.	.	PUNCT
eurjchem-2546	304	1	an	an	DET
eurjchem-2546	304	2	approximate	approximate	ADJ
eurjchem-2546	304	3	lcoao	lcoao	NOUN
eurjchem-2546	304	4	theory	theory	NOUN
eurjchem-2546	304	5	for	for	ADP
eurjchem-2546	304	6	the	the	DET
eurjchem-2546	304	7	electronic	electronic	ADJ
eurjchem-2546	304	8	absorption	absorption	NOUN
eurjchem-2546	304	9	and	and	CCONJ
eurjchem-2546	304	10	mcd	mcd	PROPN
eurjchem-2546	304	11	spectra	spectra	NOUN
eurjchem-2546	304	12	of	of	ADP
eurjchem-2546	304	13	conjugated	conjugate	VERB
eurjchem-2546	304	14	organic	organic	ADJ
eurjchem-2546	304	15	compounds	compound	NOUN
eurjchem-2546	304	16	,	,	PUNCT
eurjchem-2546	304	17	part	part	NOUN
eurjchem-2546	304	18	2	2	NUM
eurjchem-2546	304	19	.	.	PUNCT
eurjchem-2546	304	20	theor	theor	PROPN
eurjchem-2546	304	21	.	.	PUNCT
eurjchem-2546	305	1	chem	chem	PROPN
eurjchem-2546	305	2	.	.	PUNCT
eurjchem-2546	306	1	acc	acc	PROPN
eurjchem-2546	306	2	.	.	PROPN
eurjchem-2546	306	3	1997	1997	NUM
eurjchem-2546	306	4	,	,	PUNCT
eurjchem-2546	306	5	98	98	NUM
eurjchem-2546	306	6	,	,	PUNCT
eurjchem-2546	306	7	137–153	137–153	NUM
eurjchem-2546	306	8	.	.	PUNCT
eurjchem-2546	307	1	[	[	X
eurjchem-2546	307	2	27	27	NUM
eurjchem-2546	307	3	]	]	PUNCT
eurjchem-2546	307	4	.	.	PUNCT
eurjchem-2546	308	1	casida	casida	PROPN
eurjchem-2546	308	2	,	,	PUNCT
eurjchem-2546	308	3	m.	m.	PROPN
eurjchem-2546	308	4	e.	e.	PROPN
eurjchem-2546	308	5	time	time	PROPN
eurjchem-2546	308	6	-	-	PUNCT
eurjchem-2546	308	7	dependent	dependent	ADJ
eurjchem-2546	308	8	density	density	NOUN
eurjchem-2546	308	9	-	-	PUNCT
eurjchem-2546	308	10	functional	functional	ADJ
eurjchem-2546	308	11	theory	theory	NOUN
eurjchem-2546	308	12	for	for	ADP
eurjchem-2546	308	13	molecules	molecule	NOUN
eurjchem-2546	308	14	and	and	CCONJ
eurjchem-2546	308	15	molecular	molecular	ADJ
eurjchem-2546	308	16	solids	solid	NOUN
eurjchem-2546	308	17	.	.	PUNCT
eurjchem-2546	309	1	theochem	theochem	NOUN
eurjchem-2546	309	2	2009	2009	NUM
eurjchem-2546	309	3	,	,	PUNCT
eurjchem-2546	309	4	914	914	NUM
eurjchem-2546	309	5	,	,	PUNCT
eurjchem-2546	309	6	3–18	3–18	PROPN
eurjchem-2546	309	7	.	.	PUNCT
eurjchem-2546	310	1	[	[	X
eurjchem-2546	310	2	28	28	NUM
eurjchem-2546	310	3	]	]	PUNCT
eurjchem-2546	310	4	.	.	PUNCT
eurjchem-2546	311	1	adamo	adamo	PROPN
eurjchem-2546	311	2	,	,	PUNCT
eurjchem-2546	311	3	c.	c.	PROPN
eurjchem-2546	311	4	;	;	PUNCT
eurjchem-2546	311	5	jacquemin	jacquemin	PROPN
eurjchem-2546	311	6	,	,	PUNCT
eurjchem-2546	311	7	d.	d.	PROPN
eurjchem-2546	311	8	the	the	DET
eurjchem-2546	311	9	calculations	calculation	NOUN
eurjchem-2546	311	10	of	of	ADP
eurjchem-2546	311	11	excited	excited	ADJ
eurjchem-2546	311	12	-	-	PUNCT
eurjchem-2546	311	13	state	state	NOUN
eurjchem-2546	311	14	properties	property	NOUN
eurjchem-2546	311	15	with	with	ADP
eurjchem-2546	311	16	time	time	NOUN
eurjchem-2546	311	17	-	-	PUNCT
eurjchem-2546	311	18	dependent	dependent	ADJ
eurjchem-2546	311	19	density	density	NOUN
eurjchem-2546	311	20	functional	functional	ADJ
eurjchem-2546	311	21	theory	theory	NOUN
eurjchem-2546	311	22	.	.	PUNCT
eurjchem-2546	312	1	chem	chem	NOUN
eurjchem-2546	312	2	.	.	PUNCT
eurjchem-2546	313	1	soc	soc	PROPN
eurjchem-2546	313	2	.	.	PUNCT
eurjchem-2546	314	1	rev	rev	PROPN
eurjchem-2546	314	2	.	.	PROPN
eurjchem-2546	314	3	2013	2013	NUM
eurjchem-2546	314	4	,	,	PUNCT
eurjchem-2546	314	5	42	42	NUM
eurjchem-2546	314	6	,	,	PUNCT
eurjchem-2546	314	7	845–856	845–856	NUM
eurjchem-2546	314	8	.	.	PUNCT
eurjchem-2546	315	1	[	[	X
eurjchem-2546	315	2	29	29	NUM
eurjchem-2546	315	3	]	]	PUNCT
eurjchem-2546	315	4	.	.	PUNCT
eurjchem-2546	316	1	foresman	foresman	PROPN
eurjchem-2546	316	2	,	,	PUNCT
eurjchem-2546	316	3	j.	j.	PROPN
eurjchem-2546	316	4	b.	b.	PROPN
eurjchem-2546	316	5	;	;	PUNCT
eurjchem-2546	316	6	frisch	frisch	PROPN
eurjchem-2546	316	7	,	,	PUNCT
eurjchem-2546	316	8	æ	æ	PROPN
eurjchem-2546	316	9	.	.	PUNCT
eurjchem-2546	316	10	exploring	explore	VERB
eurjchem-2546	316	11	chemistry	chemistry	NOUN
eurjchem-2546	316	12	with	with	ADP
eurjchem-2546	316	13	electronic	electronic	ADJ
eurjchem-2546	316	14	structure	structure	NOUN
eurjchem-2546	316	15	methods	method	NOUN
eurjchem-2546	316	16	;	;	PUNCT
eurjchem-2546	316	17	third	third	ADJ
eurjchem-2546	316	18	edition	edition	NOUN
eurjchem-2546	316	19	,	,	PUNCT
eurjchem-2546	316	20	gaussian	gaussian	PROPN
eurjchem-2546	316	21	inc	inc	PROPN
eurjchem-2546	316	22	,	,	PUNCT
eurjchem-2546	316	23	wallingford	wallingford	PROPN
eurjchem-2546	316	24	ct	ct	PROPN
eurjchem-2546	316	25	,	,	PUNCT
eurjchem-2546	316	26	2015	2015	NUM
eurjchem-2546	316	27	.	.	PUNCT
eurjchem-2546	317	1	[	[	X
eurjchem-2546	317	2	30	30	NUM
eurjchem-2546	317	3	]	]	PUNCT
eurjchem-2546	317	4	.	.	PUNCT
eurjchem-2546	318	1	yanai	yanai	PROPN
eurjchem-2546	318	2	,	,	PUNCT
eurjchem-2546	318	3	t.	t.	PROPN
eurjchem-2546	318	4	;	;	PUNCT
eurjchem-2546	318	5	tew	tew	PROPN
eurjchem-2546	318	6	,	,	PUNCT
eurjchem-2546	318	7	d.	d.	PROPN
eurjchem-2546	318	8	p.	p.	PROPN
eurjchem-2546	318	9	;	;	PUNCT
eurjchem-2546	319	1	handy	handy	ADJ
eurjchem-2546	319	2	,	,	PUNCT
eurjchem-2546	319	3	n.	n.	PROPN
eurjchem-2546	319	4	c.	c.	AUX
eurjchem-2546	320	1	a	a	DET
eurjchem-2546	320	2	new	new	ADJ
eurjchem-2546	320	3	hybrid	hybrid	ADJ
eurjchem-2546	320	4	exchange	exchange	NOUN
eurjchem-2546	320	5	–	–	PUNCT
eurjchem-2546	320	6	correlation	correlation	NOUN
eurjchem-2546	320	7	functional	functional	ADJ
eurjchem-2546	320	8	using	use	VERB
eurjchem-2546	320	9	the	the	DET
eurjchem-2546	320	10	coulomb	coulomb	NOUN
eurjchem-2546	320	11	-	-	PUNCT
eurjchem-2546	320	12	attenuating	attenuate	VERB
eurjchem-2546	320	13	method	method	NOUN
eurjchem-2546	320	14	(	(	PUNCT
eurjchem-2546	320	15	cam	cam	NOUN
eurjchem-2546	320	16	-	-	PUNCT
eurjchem-2546	320	17	b3lyp	b3lyp	NOUN
eurjchem-2546	320	18	)	)	PUNCT
eurjchem-2546	320	19	.	.	PUNCT
eurjchem-2546	321	1	chem	chem	NOUN
eurjchem-2546	321	2	.	.	PUNCT
eurjchem-2546	322	1	phys	phy	NOUN
eurjchem-2546	322	2	.	.	PUNCT
eurjchem-2546	323	1	lett	lett	PROPN
eurjchem-2546	323	2	.	.	PUNCT
eurjchem-2546	324	1	2004	2004	NUM
eurjchem-2546	324	2	,	,	PUNCT
eurjchem-2546	324	3	393	393	NUM
eurjchem-2546	324	4	,	,	PUNCT
eurjchem-2546	324	5	51–57	51–57	NUM
eurjchem-2546	324	6	.	.	PUNCT
eurjchem-2546	325	1	[	[	X
eurjchem-2546	325	2	31	31	NUM
eurjchem-2546	325	3	]	]	PUNCT
eurjchem-2546	325	4	.	.	PUNCT
eurjchem-2546	325	5	michl	michl	PROPN
eurjchem-2546	325	6	,	,	PUNCT
eurjchem-2546	325	7	j.	j.	PROPN
eurjchem-2546	325	8	magnetic	magnetic	PROPN
eurjchem-2546	325	9	circular	circular	ADJ
eurjchem-2546	325	10	dichroism	dichroism	NOUN
eurjchem-2546	325	11	of	of	ADP
eurjchem-2546	325	12	aromatic	aromatic	ADJ
eurjchem-2546	325	13	molecules	molecule	NOUN
eurjchem-2546	325	14	.	.	PUNCT
eurjchem-2546	326	1	tetrahedron	tetrahedron	NOUN
eurjchem-2546	326	2	1984	1984	NUM
eurjchem-2546	326	3	,	,	PUNCT
eurjchem-2546	326	4	40	40	NUM
eurjchem-2546	326	5	,	,	PUNCT
eurjchem-2546	326	6	3845–3934	3845–3934	NUM
eurjchem-2546	326	7	.	.	PUNCT
eurjchem-2546	327	1	[	[	X
eurjchem-2546	327	2	32	32	NUM
eurjchem-2546	327	3	]	]	PUNCT
eurjchem-2546	327	4	.	.	PUNCT
eurjchem-2546	328	1	thulstrup	thulstrup	NOUN
eurjchem-2546	328	2	,	,	PUNCT
eurjchem-2546	328	3	p.	p.	PROPN
eurjchem-2546	328	4	w.	w.	PROPN
eurjchem-2546	328	5	;	;	PUNCT
eurjchem-2546	328	6	jones	jones	PROPN
eurjchem-2546	328	7	,	,	PUNCT
eurjchem-2546	328	8	n.	n.	PROPN
eurjchem-2546	328	9	c.	c.	PROPN
eurjchem-2546	328	10	;	;	PUNCT
eurjchem-2546	328	11	hoffmann	hoffmann	PROPN
eurjchem-2546	328	12	,	,	PUNCT
eurjchem-2546	328	13	s.	s.	PROPN
eurjchem-2546	328	14	v.	v.	PROPN
eurjchem-2546	328	15	;	;	PUNCT
eurjchem-2546	328	16	spanget	spanget	NOUN
eurjchem-2546	328	17	-	-	PUNCT
eurjchem-2546	328	18	larsen	larsen	PROPN
eurjchem-2546	328	19	,	,	PUNCT
eurjchem-2546	328	20	j.	j.	PROPN
eurjchem-2546	328	21	electronic	electronic	ADJ
eurjchem-2546	328	22	states	state	NOUN
eurjchem-2546	328	23	of	of	ADP
eurjchem-2546	328	24	the	the	DET
eurjchem-2546	328	25	fluorophore	fluorophore	NOUN
eurjchem-2546	328	26	9,10	9,10	NOUN
eurjchem-2546	328	27	-	-	PUNCT
eurjchem-2546	328	28	bis(phenylethynyl	bis(phenylethynyl	NOUN
eurjchem-2546	328	29	)	)	PUNCT
eurjchem-2546	328	30	anthracene	anthracene	NOUN
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eurjchem-2546	328	32	bpea	bpea	PROPN
eurjchem-2546	328	33	)	)	PUNCT
eurjchem-2546	328	34	.	.	PUNCT
eurjchem-2546	329	1	a	a	DET
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eurjchem-2546	329	3	radiation	radiation	NOUN
eurjchem-2546	329	4	linear	linear	NOUN
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eurjchem-2546	329	6	investigation	investigation	NOUN
eurjchem-2546	329	7	.	.	PUNCT
eurjchem-2546	330	1	chem	chem	NOUN
eurjchem-2546	330	2	.	.	PUNCT
eurjchem-2546	331	1	phys	phy	NOUN
eurjchem-2546	331	2	.	.	PUNCT
eurjchem-2546	332	1	lett	lett	PROPN
eurjchem-2546	332	2	.	.	PUNCT
eurjchem-2546	333	1	2013	2013	NUM
eurjchem-2546	333	2	,	,	PUNCT
eurjchem-2546	333	3	559	559	NUM
eurjchem-2546	333	4	,	,	PUNCT
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eurjchem-2546	333	6	.	.	PUNCT
eurjchem-2546	334	1	[	[	X
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eurjchem-2546	334	3	]	]	PUNCT
eurjchem-2546	334	4	.	.	PUNCT
eurjchem-2546	335	1	thulstrup	thulstrup	NOUN
eurjchem-2546	335	2	,	,	PUNCT
eurjchem-2546	335	3	p.	p.	PROPN
eurjchem-2546	335	4	w.	w.	PROPN
eurjchem-2546	335	5	;	;	PUNCT
eurjchem-2546	335	6	jones	jones	PROPN
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eurjchem-2546	335	11	hoffmann	hoffmann	PROPN
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eurjchem-2546	335	15	;	;	PUNCT
eurjchem-2546	335	16	spanget	spanget	NOUN
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eurjchem-2546	335	28	.	.	PUNCT
eurjchem-2546	336	1	mol	mol	NOUN
eurjchem-2546	336	2	.	.	PUNCT
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eurjchem-2546	337	2	.	.	PUNCT
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eurjchem-2546	339	3	]	]	PUNCT
eurjchem-2546	339	4	.	.	PUNCT
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eurjchem-2546	341	4	.	.	PUNCT
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eurjchem-2546	342	4	html/114.html	html/114.html	PROPN
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eurjchem-2546	343	4	.	.	PUNCT
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eurjchem-2546	344	4	,	,	PUNCT
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eurjchem-2546	344	6	lcoao	lcoao	PROPN
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eurjchem-2546	344	14	sample	sample	NOUN
eurjchem-2546	344	15	input	input	NOUN
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eurjchem-2546	345	3	]	]	PUNCT
eurjchem-2546	345	4	.	.	PUNCT
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eurjchem-2546	345	7	m.	m.	NOUN
eurjchem-2546	345	8	j.	j.	PROPN
eurjchem-2546	345	9	;	;	PUNCT
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eurjchem-2546	345	14	;	;	PUNCT
eurjchem-2546	345	15	schlegel	schlegel	PROPN
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eurjchem-2546	345	17	h.	h.	PROPN
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eurjchem-2546	345	21	,	,	PUNCT
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eurjchem-2546	345	54	x.	x.	PROPN
eurjchem-2546	345	55	;	;	PUNCT
eurjchem-2546	345	56	caricato	caricato	PROPN
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eurjchem-2546	345	60	marenich	marenich	PROPN
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eurjchem-2546	345	62	a.	a.	PROPN
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eurjchem-2546	345	67	j.	j.	PROPN
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eurjchem-2546	345	69	janesko	janesko	ADV
eurjchem-2546	345	70	,	,	PUNCT
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eurjchem-2546	345	79	,	,	PUNCT
eurjchem-2546	345	80	b.	b.	PROPN
eurjchem-2546	345	81	;	;	PUNCT
eurjchem-2546	345	82	hratchian	hratchian	PROPN
eurjchem-2546	345	83	,	,	PUNCT
eurjchem-2546	345	84	h.	h.	PROPN
eurjchem-2546	345	85	p.	p.	PROPN
eurjchem-2546	345	86	;	;	PUNCT
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eurjchem-2546	345	89	j.	j.	PROPN
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eurjchem-2546	345	92	izmaylov	izmaylov	ADJ
eurjchem-2546	345	93	,	,	PUNCT
eurjchem-2546	345	94	a.	a.	PROPN
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eurjchem-2546	345	130	a.	a.	NOUN
eurjchem-2546	345	131	;	;	PUNCT
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eurjchem-2546	345	133	,	,	PUNCT
eurjchem-2546	345	134	t.	t.	PROPN
eurjchem-2546	345	135	;	;	PUNCT
eurjchem-2546	345	136	ranasinghe	ranasinghe	NOUN
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eurjchem-2546	345	142	v.	v.	PROPN
eurjchem-2546	345	143	g.	g.	PROPN
eurjchem-2546	345	144	;	;	PUNCT
eurjchem-2546	345	145	gao	gao	PROPN
eurjchem-2546	345	146	,	,	PUNCT
eurjchem-2546	345	147	j.	j.	PROPN
eurjchem-2546	345	148	;	;	PUNCT
eurjchem-2546	345	149	rega	rega	PROPN
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eurjchem-2546	345	151	n.	n.	PROPN
eurjchem-2546	345	152	;	;	PUNCT
eurjchem-2546	345	153	zheng	zheng	PROPN
eurjchem-2546	345	154	,	,	PUNCT
eurjchem-2546	345	155	g.	g.	PROPN
eurjchem-2546	345	156	;	;	PUNCT
eurjchem-2546	345	157	liang	liang	PROPN
eurjchem-2546	345	158	,	,	PUNCT
eurjchem-2546	345	159	w.	w.	PROPN
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eurjchem-2546	345	161	hada	hada	PROPN
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eurjchem-2546	345	169	toyota	toyota	PROPN
eurjchem-2546	345	170	,	,	PUNCT
eurjchem-2546	345	171	k.	k.	PROPN
eurjchem-2546	345	172	;	;	PUNCT
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eurjchem-2546	345	181	ishida	ishida	PROPN
eurjchem-2546	345	182	,	,	PUNCT
eurjchem-2546	345	183	m.	m.	NOUN
eurjchem-2546	345	184	;	;	PUNCT
eurjchem-2546	345	185	nakajima	nakajima	PROPN
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eurjchem-2546	345	192	;	;	PUNCT
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eurjchem-2546	345	221	;	;	PUNCT
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eurjchem-2546	345	223	,	,	PUNCT
eurjchem-2546	345	224	f.	f.	PROPN
eurjchem-2546	345	225	;	;	PUNCT
eurjchem-2546	345	226	bearpark	bearpark	PROPN
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eurjchem-2546	345	230	;	;	PUNCT
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eurjchem-2546	345	233	j.	j.	PROPN
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eurjchem-2546	345	242	,	,	PUNCT
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eurjchem-2546	345	245	;	;	PUNCT
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eurjchem-2546	345	247	,	,	PUNCT
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eurjchem-2546	345	249	n.	n.	NOUN
eurjchem-2546	345	250	;	;	PUNCT
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eurjchem-2546	345	277	;	;	PUNCT
eurjchem-2546	345	278	iyengar	iyengar	PROPN
eurjchem-2546	345	279	,	,	PUNCT
eurjchem-2546	345	280	s.	s.	PROPN
eurjchem-2546	345	281	s.	s.	PROPN
eurjchem-2546	345	282	;	;	PUNCT
eurjchem-2546	345	283	tomasi	tomasi	PROPN
eurjchem-2546	345	284	,	,	PUNCT
eurjchem-2546	345	285	j.	j.	PROPN
eurjchem-2546	345	286	;	;	PUNCT
eurjchem-2546	345	287	cossi	cossi	PROPN
eurjchem-2546	345	288	,	,	PUNCT
eurjchem-2546	345	289	m.	m.	NOUN
eurjchem-2546	345	290	;	;	PUNCT
eurjchem-2546	345	291	millam	millam	PROPN
eurjchem-2546	345	292	,	,	PUNCT
eurjchem-2546	345	293	j.	j.	PROPN
eurjchem-2546	345	294	m.	m.	PROPN
eurjchem-2546	345	295	;	;	PUNCT
eurjchem-2546	345	296	klene	klene	PROPN
eurjchem-2546	345	297	,	,	PUNCT
eurjchem-2546	345	298	m.	m.	NOUN
eurjchem-2546	345	299	;	;	PUNCT
eurjchem-2546	345	300	adamo	adamo	PROPN
eurjchem-2546	345	301	,	,	PUNCT
eurjchem-2546	345	302	c.	c.	PROPN
eurjchem-2546	345	303	;	;	PUNCT
eurjchem-2546	345	304	cammi	cammi	PROPN
eurjchem-2546	345	305	,	,	PUNCT
eurjchem-2546	345	306	r.	r.	PROPN
eurjchem-2546	345	307	;	;	PUNCT
eurjchem-2546	345	308	ochterski	ochterski	PROPN
eurjchem-2546	345	309	,	,	PUNCT
eurjchem-2546	345	310	j.	j.	PROPN
eurjchem-2546	345	311	w.	w.	PROPN
eurjchem-2546	345	312	;	;	PUNCT
eurjchem-2546	345	313	martin	martin	PROPN
eurjchem-2546	345	314	,	,	PUNCT
eurjchem-2546	345	315	r.	r.	PROPN
eurjchem-2546	345	316	l.	l.	PROPN
eurjchem-2546	345	317	;	;	PUNCT
eurjchem-2546	345	318	morokuma	morokuma	PROPN
eurjchem-2546	345	319	,	,	PUNCT
eurjchem-2546	345	320	k.	k.	PROPN
eurjchem-2546	345	321	;	;	PUNCT
eurjchem-2546	345	322	farkas	farkas	PROPN
eurjchem-2546	345	323	,	,	PUNCT
eurjchem-2546	345	324	o.	o.	PROPN
eurjchem-2546	345	325	;	;	PUNCT
eurjchem-2546	345	326	foresman	foresman	PROPN
eurjchem-2546	345	327	,	,	PUNCT
eurjchem-2546	345	328	j.	j.	PROPN
eurjchem-2546	345	329	b.	b.	PROPN
eurjchem-2546	345	330	;	;	PUNCT
eurjchem-2546	345	331	fox	fox	PROPN
eurjchem-2546	345	332	,	,	PUNCT
eurjchem-2546	345	333	d.	d.	PROPN
eurjchem-2546	345	334	j.	j.	PROPN
eurjchem-2546	345	335	gaussian	gaussian	PROPN
eurjchem-2546	345	336	16	16	NUM
eurjchem-2546	345	337	,	,	PUNCT
eurjchem-2546	345	338	revision	revision	NOUN
eurjchem-2546	345	339	a.03	a.03	PROPN
eurjchem-2546	345	340	,	,	PUNCT
eurjchem-2546	345	341	gaussian	gaussian	PROPN
eurjchem-2546	345	342	,	,	PUNCT
eurjchem-2546	345	343	inc	inc	PROPN
eurjchem-2546	345	344	.	.	PROPN
eurjchem-2546	345	345	,	,	PUNCT
eurjchem-2546	345	346	wallingford	wallingford	PROPN
eurjchem-2546	345	347	ct	ct	PROPN
eurjchem-2546	345	348	,	,	PUNCT
eurjchem-2546	345	349	2016	2016	NUM
eurjchem-2546	345	350	.	.	PUNCT
eurjchem-2546	346	1	[	[	X
eurjchem-2546	346	2	37	37	NUM
eurjchem-2546	346	3	]	]	PUNCT
eurjchem-2546	346	4	.	.	PUNCT
eurjchem-2546	347	1	dunning	dun	VERB
eurjchem-2546	347	2	,	,	PUNCT
eurjchem-2546	347	3	t.	t.	PROPN
eurjchem-2546	347	4	h.	h.	PROPN
eurjchem-2546	347	5	,	,	PUNCT
eurjchem-2546	347	6	jr	jr	PROPN
eurjchem-2546	347	7	gaussian	gaussian	ADJ
eurjchem-2546	347	8	basis	basis	NOUN
eurjchem-2546	347	9	sets	set	NOUN
eurjchem-2546	347	10	for	for	ADP
eurjchem-2546	347	11	use	use	NOUN
eurjchem-2546	347	12	in	in	ADP
eurjchem-2546	347	13	correlated	correlate	VERB
eurjchem-2546	347	14	molecular	molecular	ADJ
eurjchem-2546	347	15	calculations	calculation	NOUN
eurjchem-2546	347	16	.	.	PUNCT
eurjchem-2546	348	1	i.	i.	NOUN
eurjchem-2546	348	2	the	the	DET
eurjchem-2546	348	3	atoms	atom	NOUN
eurjchem-2546	348	4	boron	boron	NOUN
eurjchem-2546	348	5	through	through	ADP
eurjchem-2546	348	6	neon	neon	NOUN
eurjchem-2546	348	7	and	and	CCONJ
eurjchem-2546	348	8	hydrogen	hydrogen	NOUN
eurjchem-2546	348	9	.	.	PUNCT
eurjchem-2546	349	1	j.	j.	PROPN
eurjchem-2546	349	2	chem	chem	PROPN
eurjchem-2546	349	3	.	.	PUNCT
eurjchem-2546	350	1	phys	phy	NOUN
eurjchem-2546	350	2	.	.	PUNCT
eurjchem-2546	351	1	1989	1989	NUM
eurjchem-2546	351	2	,	,	PUNCT
eurjchem-2546	351	3	90	90	NUM
eurjchem-2546	351	4	,	,	PUNCT
eurjchem-2546	351	5	1007–1023	1007–1023	NUM
eurjchem-2546	351	6	.	.	PUNCT
eurjchem-2546	352	1	[	[	X
eurjchem-2546	352	2	38	38	NUM
eurjchem-2546	352	3	]	]	PUNCT
eurjchem-2546	352	4	.	.	PUNCT
eurjchem-2546	353	1	kendall	kendall	PROPN
eurjchem-2546	353	2	,	,	PUNCT
eurjchem-2546	353	3	r.	r.	PROPN
eurjchem-2546	353	4	a.	a.	PROPN
eurjchem-2546	353	5	;	;	PUNCT
eurjchem-2546	353	6	dunning	dun	VERB
eurjchem-2546	353	7	,	,	PUNCT
eurjchem-2546	353	8	t.	t.	PROPN
eurjchem-2546	353	9	h.	h.	PROPN
eurjchem-2546	353	10	,	,	PUNCT
eurjchem-2546	353	11	jr	jr	PROPN
eurjchem-2546	353	12	;	;	PUNCT
eurjchem-2546	353	13	harrison	harrison	PROPN
eurjchem-2546	353	14	,	,	PUNCT
eurjchem-2546	353	15	r.	r.	PROPN
eurjchem-2546	353	16	j.	j.	PROPN
eurjchem-2546	353	17	electron	electron	PROPN
eurjchem-2546	353	18	affinities	affinity	NOUN
eurjchem-2546	353	19	of	of	ADP
eurjchem-2546	353	20	the	the	DET
eurjchem-2546	353	21	first	first	ADJ
eurjchem-2546	353	22	-	-	PUNCT
eurjchem-2546	353	23	row	row	NOUN
eurjchem-2546	353	24	atoms	atom	NOUN
eurjchem-2546	353	25	revisited	revisit	VERB
eurjchem-2546	353	26	.	.	PUNCT
eurjchem-2546	354	1	systematic	systematic	ADJ
eurjchem-2546	354	2	basis	basis	NOUN
eurjchem-2546	354	3	sets	set	NOUN
eurjchem-2546	354	4	and	and	CCONJ
eurjchem-2546	354	5	wave	wave	NOUN
eurjchem-2546	354	6	functions	function	NOUN
eurjchem-2546	354	7	.	.	PUNCT
eurjchem-2546	355	1	j.	j.	PROPN
eurjchem-2546	355	2	chem	chem	PROPN
eurjchem-2546	355	3	.	.	PUNCT
eurjchem-2546	356	1	phys	phy	NOUN
eurjchem-2546	356	2	.	.	PUNCT
eurjchem-2546	357	1	1992	1992	NUM
eurjchem-2546	357	2	,	,	PUNCT
eurjchem-2546	357	3	96	96	NUM
eurjchem-2546	357	4	,	,	PUNCT
eurjchem-2546	357	5	6796–6806	6796–6806	NUM
eurjchem-2546	357	6	.	.	PUNCT
eurjchem-2546	358	1	[	[	X
eurjchem-2546	358	2	39	39	NUM
eurjchem-2546	358	3	]	]	PUNCT
eurjchem-2546	358	4	.	.	PUNCT
eurjchem-2546	359	1	miertuš	miertuš	PROPN
eurjchem-2546	359	2	,	,	PUNCT
eurjchem-2546	359	3	s.	s.	PROPN
eurjchem-2546	359	4	;	;	PUNCT
eurjchem-2546	359	5	scrocco	scrocco	PROPN
eurjchem-2546	359	6	,	,	PUNCT
eurjchem-2546	359	7	e.	e.	PROPN
eurjchem-2546	359	8	;	;	PUNCT
eurjchem-2546	359	9	tomasi	tomasi	PROPN
eurjchem-2546	359	10	,	,	PUNCT
eurjchem-2546	359	11	j.	j.	PROPN
eurjchem-2546	359	12	electrostatic	electrostatic	ADJ
eurjchem-2546	359	13	interaction	interaction	NOUN
eurjchem-2546	359	14	of	of	ADP
eurjchem-2546	359	15	a	a	DET
eurjchem-2546	359	16	solute	solute	NOUN
eurjchem-2546	359	17	with	with	ADP
eurjchem-2546	359	18	a	a	DET
eurjchem-2546	359	19	continuum	continuum	NOUN
eurjchem-2546	359	20	.	.	PUNCT
eurjchem-2546	360	1	a	a	DET
eurjchem-2546	360	2	direct	direct	ADJ
eurjchem-2546	360	3	utilizaion	utilizaion	NOUN
eurjchem-2546	360	4	of	of	ADP
eurjchem-2546	360	5	ab	ab	PROPN
eurjchem-2546	360	6	initio	initio	PROPN
eurjchem-2546	360	7	molecular	molecular	ADJ
eurjchem-2546	360	8	potentials	potential	VERB
eurjchem-2546	360	9	for	for	ADP
eurjchem-2546	360	10	the	the	DET
eurjchem-2546	360	11	prevision	prevision	NOUN
eurjchem-2546	360	12	of	of	ADP
eurjchem-2546	360	13	solvent	solvent	NOUN
eurjchem-2546	360	14	effects	effect	NOUN
eurjchem-2546	360	15	.	.	PUNCT
eurjchem-2546	361	1	chem	chem	NOUN
eurjchem-2546	361	2	.	.	PUNCT
eurjchem-2546	362	1	phys	phy	NOUN
eurjchem-2546	362	2	.	.	PUNCT
eurjchem-2546	363	1	1981	1981	NUM
eurjchem-2546	363	2	,	,	PUNCT
eurjchem-2546	363	3	55	55	NUM
eurjchem-2546	363	4	,	,	PUNCT
eurjchem-2546	363	5	117–129	117–129	NUM
eurjchem-2546	363	6	.	.	PUNCT
eurjchem-2546	364	1	[	[	X
eurjchem-2546	364	2	40	40	NUM
eurjchem-2546	364	3	]	]	PUNCT
eurjchem-2546	364	4	.	.	PUNCT
eurjchem-2546	365	1	tomasi	tomasi	PROPN
eurjchem-2546	365	2	,	,	PUNCT
eurjchem-2546	365	3	j.	j.	PROPN
eurjchem-2546	365	4	;	;	PUNCT
eurjchem-2546	365	5	persico	persico	PROPN
eurjchem-2546	365	6	,	,	PUNCT
eurjchem-2546	365	7	m.	m.	NOUN
eurjchem-2546	365	8	molecular	molecular	ADJ
eurjchem-2546	365	9	interactions	interaction	NOUN
eurjchem-2546	365	10	in	in	ADP
eurjchem-2546	365	11	solution	solution	NOUN
eurjchem-2546	365	12	:	:	PUNCT
eurjchem-2546	365	13	an	an	DET
eurjchem-2546	365	14	overview	overview	NOUN
eurjchem-2546	365	15	of	of	ADP
eurjchem-2546	365	16	methods	method	NOUN
eurjchem-2546	365	17	based	base	VERB
eurjchem-2546	365	18	on	on	ADP
eurjchem-2546	365	19	continuous	continuous	ADJ
eurjchem-2546	365	20	distributions	distribution	NOUN
eurjchem-2546	365	21	of	of	ADP
eurjchem-2546	365	22	the	the	DET
eurjchem-2546	365	23	solvent	solvent	NOUN
eurjchem-2546	365	24	.	.	PUNCT
eurjchem-2546	366	1	chem	chem	PROPN
eurjchem-2546	366	2	.	.	PUNCT
eurjchem-2546	367	1	rev	rev	PROPN
eurjchem-2546	367	2	.	.	PROPN
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eurjchem-2546	367	4	,	,	PUNCT
eurjchem-2546	367	5	94	94	NUM
eurjchem-2546	367	6	,	,	PUNCT
eurjchem-2546	367	7	2027–2094	2027–2094	NUM
eurjchem-2546	367	8	.	.	PUNCT
eurjchem-2546	368	1	[	[	X
eurjchem-2546	368	2	41	41	NUM
eurjchem-2546	368	3	]	]	PUNCT
eurjchem-2546	368	4	.	.	PUNCT
eurjchem-2546	369	1	cramer	cramer	PROPN
eurjchem-2546	369	2	,	,	PUNCT
eurjchem-2546	369	3	c.	c.	PROPN
eurjchem-2546	369	4	j.	j.	PROPN
eurjchem-2546	369	5	;	;	PUNCT
eurjchem-2546	369	6	truhlar	truhlar	PROPN
eurjchem-2546	369	7	,	,	PUNCT
eurjchem-2546	369	8	d.	d.	PROPN
eurjchem-2546	369	9	g.	g.	PROPN
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eurjchem-2546	369	13	:	:	PUNCT
eurjchem-2546	369	14	equilibria	equilibrium	NOUN
eurjchem-2546	369	15	,	,	PUNCT
eurjchem-2546	369	16	structure	structure	NOUN
eurjchem-2546	369	17	,	,	PUNCT
eurjchem-2546	369	18	spectra	spectra	NOUN
eurjchem-2546	369	19	,	,	PUNCT
eurjchem-2546	369	20	and	and	CCONJ
eurjchem-2546	369	21	dynamics	dynamic	NOUN
eurjchem-2546	369	22	.	.	PUNCT
eurjchem-2546	370	1	chem	chem	PROPN
eurjchem-2546	370	2	.	.	PUNCT
eurjchem-2546	371	1	rev	rev	PROPN
eurjchem-2546	371	2	.	.	PROPN
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eurjchem-2546	371	4	,	,	PUNCT
eurjchem-2546	371	5	99	99	NUM
eurjchem-2546	371	6	,	,	PUNCT
eurjchem-2546	371	7	2161–2200	2161–2200	NUM
eurjchem-2546	371	8	.	.	PUNCT
eurjchem-2546	372	1	[	[	X
eurjchem-2546	372	2	42	42	NUM
eurjchem-2546	372	3	]	]	PUNCT
eurjchem-2546	372	4	.	.	PUNCT
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eurjchem-2546	372	6	,	,	PUNCT
eurjchem-2546	372	7	g.	g.	PROPN
eurjchem-2546	372	8	;	;	PUNCT
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eurjchem-2546	372	10	,	,	PUNCT
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eurjchem-2546	372	17	continuum	continuum	ADJ
eurjchem-2546	372	18	models	model	NOUN
eurjchem-2546	372	19	of	of	ADP
eurjchem-2546	372	20	solvation	solvation	NOUN
eurjchem-2546	372	21	.	.	PUNCT
eurjchem-2546	373	1	i.	i.	PROPN
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eurjchem-2546	373	3	formalism	formalism	NOUN
eurjchem-2546	373	4	.	.	PUNCT
eurjchem-2546	374	1	j.	j.	PROPN
eurjchem-2546	374	2	chem	chem	PROPN
eurjchem-2546	374	3	.	.	PUNCT
eurjchem-2546	375	1	phys	phy	NOUN
eurjchem-2546	375	2	.	.	PUNCT
eurjchem-2546	376	1	2010	2010	NUM
eurjchem-2546	376	2	,	,	PUNCT
eurjchem-2546	376	3	132	132	NUM
eurjchem-2546	376	4	,	,	PUNCT
eurjchem-2546	376	5	114110	114110	NUM
eurjchem-2546	376	6	.	.	PUNCT
eurjchem-2546	377	1	[	[	X
eurjchem-2546	377	2	43	43	NUM
eurjchem-2546	377	3	]	]	PUNCT
eurjchem-2546	377	4	.	.	PUNCT
eurjchem-2546	378	1	grimme	grimme	PROPN
eurjchem-2546	378	2	,	,	PUNCT
eurjchem-2546	378	3	s.	s.	PROPN
eurjchem-2546	378	4	;	;	PUNCT
eurjchem-2546	378	5	ehrlich	ehrlich	PROPN
eurjchem-2546	378	6	,	,	PUNCT
eurjchem-2546	378	7	s.	s.	PROPN
eurjchem-2546	378	8	;	;	PUNCT
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eurjchem-2546	378	10	,	,	PUNCT
eurjchem-2546	378	11	l.	l.	PROPN
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eurjchem-2546	378	14	the	the	DET
eurjchem-2546	378	15	damping	damp	VERB
eurjchem-2546	378	16	function	function	NOUN
eurjchem-2546	378	17	in	in	ADP
eurjchem-2546	378	18	dispersion	dispersion	NOUN
eurjchem-2546	378	19	corrected	correct	VERB
eurjchem-2546	378	20	density	density	NOUN
eurjchem-2546	378	21	functional	functional	ADJ
eurjchem-2546	378	22	theory	theory	NOUN
eurjchem-2546	378	23	.	.	PUNCT
eurjchem-2546	379	1	j.	j.	PROPN
eurjchem-2546	379	2	comput	comput	PROPN
eurjchem-2546	379	3	.	.	PUNCT
eurjchem-2546	380	1	chem	chem	NOUN
eurjchem-2546	380	2	.	.	PUNCT
eurjchem-2546	381	1	2011	2011	NUM
eurjchem-2546	381	2	,	,	PUNCT
eurjchem-2546	381	3	32	32	NUM
eurjchem-2546	381	4	,	,	PUNCT
eurjchem-2546	381	5	1456–1465	1456–1465	NUM
eurjchem-2546	381	6	.	.	PUNCT
eurjchem-2546	382	1	[	[	X
eurjchem-2546	382	2	44	44	NUM
eurjchem-2546	382	3	]	]	PUNCT
eurjchem-2546	382	4	.	.	PUNCT
eurjchem-2546	383	1	nguyen	nguyen	PROPN
eurjchem-2546	383	2	,	,	PUNCT
eurjchem-2546	383	3	d.	d.	PROPN
eurjchem-2546	383	4	d.	d.	PROPN
eurjchem-2546	383	5	;	;	PUNCT
eurjchem-2546	383	6	jones	jones	PROPN
eurjchem-2546	383	7	,	,	PUNCT
eurjchem-2546	383	8	n.	n.	PROPN
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eurjchem-2546	383	10	;	;	PUNCT
eurjchem-2546	383	11	hoffmann	hoffmann	PROPN
eurjchem-2546	383	12	,	,	PUNCT
eurjchem-2546	383	13	s.	s.	PROPN
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eurjchem-2546	383	15	;	;	PUNCT
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eurjchem-2546	383	17	-	-	PUNCT
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eurjchem-2546	383	19	,	,	PUNCT
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eurjchem-2546	383	25	-	-	NOUN
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eurjchem-2546	383	29	-	-	PUNCT
eurjchem-2546	383	30	diphenylbutadiene	diphenylbutadiene	NOUN
eurjchem-2546	383	31	.	.	PUNCT
eurjchem-2546	384	1	near	near	ADP
eurjchem-2546	384	2	and	and	CCONJ
eurjchem-2546	384	3	vacuum	vacuum	NOUN
eurjchem-2546	384	4	uv	uv	NOUN
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eurjchem-2546	384	6	spectroscopy	spectroscopy	NOUN
eurjchem-2546	384	7	.	.	PUNCT
eurjchem-2546	385	1	j.	j.	PROPN
eurjchem-2546	385	2	mol	mol	PROPN
eurjchem-2546	385	3	.	.	PROPN
eurjchem-2546	385	4	struct	struct	NOUN
eurjchem-2546	385	5	.	.	PUNCT
eurjchem-2546	386	1	2023	2023	NUM
eurjchem-2546	386	2	,	,	PUNCT
eurjchem-2546	386	3	1293	1293	NUM
eurjchem-2546	386	4	,	,	PUNCT
eurjchem-2546	386	5	136206	136206	NUM
eurjchem-2546	386	6	.	.	PUNCT
eurjchem-2546	387	1	[	[	X
eurjchem-2546	387	2	45	45	NUM
eurjchem-2546	387	3	]	]	PUNCT
eurjchem-2546	387	4	.	.	PUNCT
eurjchem-2546	388	1	pariser	pariser	PROPN
eurjchem-2546	388	2	,	,	PUNCT
eurjchem-2546	388	3	r.	r.	PROPN
eurjchem-2546	388	4	theory	theory	NOUN
eurjchem-2546	388	5	of	of	ADP
eurjchem-2546	388	6	the	the	DET
eurjchem-2546	388	7	electronic	electronic	ADJ
eurjchem-2546	388	8	spectra	spectra	NOUN
eurjchem-2546	388	9	and	and	CCONJ
eurjchem-2546	388	10	structure	structure	NOUN
eurjchem-2546	388	11	of	of	ADP
eurjchem-2546	388	12	the	the	DET
eurjchem-2546	388	13	polyacenes	polyacene	NOUN
eurjchem-2546	388	14	and	and	CCONJ
eurjchem-2546	388	15	of	of	ADP
eurjchem-2546	388	16	alternant	alternant	ADJ
eurjchem-2546	388	17	hydrocarbons	hydrocarbon	NOUN
eurjchem-2546	388	18	.	.	PUNCT
eurjchem-2546	389	1	j.	j.	PROPN
eurjchem-2546	389	2	chem	chem	PROPN
eurjchem-2546	389	3	.	.	PUNCT
eurjchem-2546	390	1	phys	phy	NOUN
eurjchem-2546	390	2	.	.	PUNCT
eurjchem-2546	391	1	1956	1956	NUM
eurjchem-2546	391	2	,	,	PUNCT
eurjchem-2546	391	3	24	24	NUM
eurjchem-2546	391	4	,	,	PUNCT
eurjchem-2546	391	5	250–268	250–268	NUM
eurjchem-2546	391	6	.	.	PUNCT
eurjchem-2546	392	1	copyright	copyright	NOUN
eurjchem-2546	392	2	©	©	ADP
eurjchem-2546	392	3	2024	2024	NUM
eurjchem-2546	392	4	by	by	ADP
eurjchem-2546	392	5	authors	author	NOUN
eurjchem-2546	392	6	.	.	PUNCT
eurjchem-2546	393	1	this	this	DET
eurjchem-2546	393	2	work	work	NOUN
eurjchem-2546	393	3	is	be	AUX
eurjchem-2546	393	4	published	publish	VERB
eurjchem-2546	393	5	and	and	CCONJ
eurjchem-2546	393	6	licensed	license	VERB
eurjchem-2546	393	7	by	by	ADP
eurjchem-2546	393	8	atlanta	atlanta	PROPN
eurjchem-2546	393	9	publishing	publishing	PROPN
eurjchem-2546	393	10	house	house	PROPN
eurjchem-2546	393	11	llc	llc	PROPN
eurjchem-2546	393	12	,	,	PUNCT
eurjchem-2546	393	13	atlanta	atlanta	PROPN
eurjchem-2546	393	14	,	,	PUNCT
eurjchem-2546	393	15	ga	ga	PROPN
eurjchem-2546	393	16	,	,	PUNCT
eurjchem-2546	393	17	usa	usa	PROPN
eurjchem-2546	393	18	.	.	PUNCT
eurjchem-2546	394	1	the	the	DET
eurjchem-2546	394	2	full	full	ADJ
eurjchem-2546	394	3	terms	term	NOUN
eurjchem-2546	394	4	of	of	ADP
eurjchem-2546	394	5	this	this	DET
eurjchem-2546	394	6	license	license	NOUN
eurjchem-2546	394	7	are	be	AUX
eurjchem-2546	394	8	available	available	ADJ
eurjchem-2546	394	9	at	at	ADP
eurjchem-2546	394	10	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2546	394	11	and	and	CCONJ
eurjchem-2546	394	12	incorporate	incorporate	VERB
eurjchem-2546	394	13	the	the	DET
eurjchem-2546	394	14	creative	creative	ADJ
eurjchem-2546	394	15	commons	common	NOUN
eurjchem-2546	394	16	attribution	attribution	NOUN
eurjchem-2546	394	17	-	-	PUNCT
eurjchem-2546	394	18	non	non	ADJ
eurjchem-2546	394	19	commercial	commercial	NOUN
eurjchem-2546	394	20	(	(	PUNCT
eurjchem-2546	394	21	cc	cc	NOUN
eurjchem-2546	394	22	by	by	ADP
eurjchem-2546	394	23	nc	nc	PROPN
eurjchem-2546	394	24	)	)	PUNCT
eurjchem-2546	394	25	(	(	PUNCT
eurjchem-2546	394	26	international	international	ADJ
eurjchem-2546	394	27	,	,	PUNCT
eurjchem-2546	394	28	v4.0	v4.0	NOUN
eurjchem-2546	394	29	)	)	PUNCT
eurjchem-2546	394	30	license	license	NOUN
eurjchem-2546	394	31	(	(	PUNCT
eurjchem-2546	394	32	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	NOUN
eurjchem-2546	394	33	)	)	PUNCT
eurjchem-2546	394	34	.	.	PUNCT
eurjchem-2546	395	1	by	by	ADP
eurjchem-2546	395	2	accessing	access	VERB
eurjchem-2546	395	3	the	the	DET
eurjchem-2546	395	4	work	work	NOUN
eurjchem-2546	395	5	,	,	PUNCT
eurjchem-2546	395	6	you	you	PRON
eurjchem-2546	395	7	hereby	hereby	ADV
eurjchem-2546	395	8	accept	accept	VERB
eurjchem-2546	395	9	the	the	DET
eurjchem-2546	395	10	terms	term	NOUN
eurjchem-2546	395	11	.	.	PUNCT
eurjchem-2546	396	1	this	this	PRON
eurjchem-2546	396	2	is	be	AUX
eurjchem-2546	396	3	an	an	DET
eurjchem-2546	396	4	open	open	ADJ
eurjchem-2546	396	5	access	access	NOUN
eurjchem-2546	396	6	article	article	NOUN
eurjchem-2546	396	7	distributed	distribute	VERB
eurjchem-2546	396	8	under	under	ADP
eurjchem-2546	396	9	the	the	DET
eurjchem-2546	396	10	terms	term	NOUN
eurjchem-2546	396	11	and	and	CCONJ
eurjchem-2546	396	12	conditions	condition	NOUN
eurjchem-2546	396	13	of	of	ADP
eurjchem-2546	396	14	the	the	DET
eurjchem-2546	396	15	cc	cc	PROPN
eurjchem-2546	396	16	by	by	ADP
eurjchem-2546	396	17	nc	nc	PROPN
eurjchem-2546	396	18	license	license	PROPN
eurjchem-2546	396	19	,	,	PUNCT
eurjchem-2546	396	20	which	which	PRON
eurjchem-2546	396	21	permits	permit	VERB
eurjchem-2546	396	22	unrestricted	unrestricted	ADJ
eurjchem-2546	396	23	non	non	ADJ
eurjchem-2546	396	24	-	-	ADJ
eurjchem-2546	396	25	commercial	commercial	ADJ
eurjchem-2546	396	26	use	use	NOUN
eurjchem-2546	396	27	,	,	PUNCT
eurjchem-2546	396	28	distribution	distribution	NOUN
eurjchem-2546	396	29	,	,	PUNCT
eurjchem-2546	396	30	and	and	CCONJ
eurjchem-2546	396	31	reproduction	reproduction	NOUN
eurjchem-2546	396	32	in	in	ADP
eurjchem-2546	396	33	any	any	DET
eurjchem-2546	396	34	medium	medium	NOUN
eurjchem-2546	396	35	,	,	PUNCT
eurjchem-2546	396	36	provided	provide	VERB
eurjchem-2546	396	37	the	the	DET
eurjchem-2546	396	38	original	original	ADJ
eurjchem-2546	396	39	work	work	NOUN
eurjchem-2546	396	40	is	be	AUX
eurjchem-2546	396	41	properly	properly	ADV
eurjchem-2546	396	42	cited	cite	VERB
eurjchem-2546	396	43	without	without	ADP
eurjchem-2546	396	44	any	any	DET
eurjchem-2546	396	45	further	further	ADJ
eurjchem-2546	396	46	permission	permission	NOUN
eurjchem-2546	396	47	from	from	ADP
eurjchem-2546	396	48	atlanta	atlanta	PROPN
eurjchem-2546	396	49	publishing	publishing	PROPN
eurjchem-2546	396	50	house	house	PROPN
eurjchem-2546	396	51	llc	llc	PROPN
eurjchem-2546	396	52	(	(	PUNCT
eurjchem-2546	396	53	european	european	PROPN
eurjchem-2546	396	54	journal	journal	PROPN
eurjchem-2546	396	55	of	of	ADP
eurjchem-2546	396	56	chemistry	chemistry	NOUN
eurjchem-2546	396	57	)	)	PUNCT
eurjchem-2546	396	58	.	.	PUNCT
eurjchem-2546	397	1	no	no	DET
eurjchem-2546	397	2	use	use	NOUN
eurjchem-2546	397	3	,	,	PUNCT
eurjchem-2546	397	4	distribution	distribution	NOUN
eurjchem-2546	397	5	,	,	PUNCT
eurjchem-2546	397	6	or	or	CCONJ
eurjchem-2546	397	7	reproduction	reproduction	NOUN
eurjchem-2546	397	8	is	be	AUX
eurjchem-2546	397	9	permitted	permit	VERB
eurjchem-2546	397	10	which	which	PRON
eurjchem-2546	397	11	does	do	AUX
eurjchem-2546	397	12	not	not	PART
eurjchem-2546	397	13	comply	comply	VERB
eurjchem-2546	397	14	with	with	ADP
eurjchem-2546	397	15	these	these	DET
eurjchem-2546	397	16	terms	term	NOUN
eurjchem-2546	397	17	.	.	PUNCT
eurjchem-2546	398	1	permissions	permission	NOUN
eurjchem-2546	398	2	for	for	ADP
eurjchem-2546	398	3	commercial	commercial	ADJ
eurjchem-2546	398	4	use	use	NOUN
eurjchem-2546	398	5	of	of	ADP
eurjchem-2546	398	6	this	this	DET
eurjchem-2546	398	7	work	work	NOUN
eurjchem-2546	398	8	beyond	beyond	ADP
eurjchem-2546	398	9	the	the	DET
eurjchem-2546	398	10	scope	scope	NOUN
eurjchem-2546	398	11	of	of	ADP
eurjchem-2546	398	12	the	the	DET
eurjchem-2546	398	13	license	license	NOUN
eurjchem-2546	398	14	(	(	PUNCT
eurjchem-2546	398	15	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2546	398	16	)	)	PUNCT
eurjchem-2546	398	17	are	be	AUX
eurjchem-2546	398	18	administered	administer	VERB
eurjchem-2546	398	19	by	by	ADP
eurjchem-2546	398	20	atlanta	atlanta	PROPN
eurjchem-2546	398	21	publishing	publishing	PROPN
eurjchem-2546	398	22	house	house	PROPN
eurjchem-2546	398	23	llc	llc	PROPN
eurjchem-2546	398	24	(	(	PUNCT
eurjchem-2546	398	25	european	european	PROPN
eurjchem-2546	398	26	journal	journal	PROPN
eurjchem-2546	398	27	of	of	ADP
eurjchem-2546	398	28	chemistry	chemistry	NOUN
eurjchem-2546	398	29	)	)	PUNCT
eurjchem-2546	398	30	.	.	PUNCT
eurjchem-2546	399	1	https://hrcak.srce.hr/file/261320	https://hrcak.srce.hr/file/261320	NOUN
eurjchem-2546	399	2	https://omlc.org/spectra/%20photochemcad/html/114.html	https://omlc.org/spectra/%20photochemcad/html/114.html	PROPN
eurjchem-2546	399	3	https://omlc.org/spectra/%20photochemcad/html/114.html	https://omlc.org/spectra/%20photochemcad/html/114.html	PUNCT
eurjchem-2546	400	1	http://dx.doi.org/10.13140/2.1.3455.6482	http://dx.doi.org/10.13140/2.1.3455.6482	PROPN
eurjchem-2546	400	2	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/terms	AUX
eurjchem-2546	400	3	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-2546	400	4	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2546	400	5	1	1	NUM
eurjchem-2546	400	6	.	.	PUNCT
eurjchem-2546	400	7	introduction	introduction	NOUN
eurjchem-2546	400	8	2	2	NUM
eurjchem-2546	400	9	.	.	PUNCT
eurjchem-2546	400	10	experimental	experimental	ADJ
eurjchem-2546	400	11	2.1	2.1	NUM
eurjchem-2546	400	12	.	.	PUNCT
eurjchem-2546	401	1	theory	theory	NOUN
eurjchem-2546	401	2	/	/	SYM
eurjchem-2546	401	3	calculation	calculation	NOUN
eurjchem-2546	401	4	3	3	NUM
eurjchem-2546	401	5	.	.	NOUN
eurjchem-2546	401	6	results	result	NOUN
eurjchem-2546	401	7	and	and	CCONJ
eurjchem-2546	401	8	discussion	discussion	NOUN
eurjchem-2546	401	9	3.1	3.1	NUM
eurjchem-2546	401	10	.	.	PUNCT
eurjchem-2546	402	1	linear	linear	ADJ
eurjchem-2546	402	2	dichroism	dichroism	NOUN
eurjchem-2546	402	3	:	:	PUNCT
eurjchem-2546	402	4	orientation	orientation	NOUN
eurjchem-2546	402	5	factors	factor	NOUN
eurjchem-2546	402	6	and	and	CCONJ
eurjchem-2546	402	7	polarization	polarization	NOUN
eurjchem-2546	402	8	directions	direction	NOUN
eurjchem-2546	402	9	3.2	3.2	NUM
eurjchem-2546	402	10	.	.	PUNCT
eurjchem-2546	403	1	electronic	electronic	ADJ
eurjchem-2546	403	2	transitions	transition	NOUN
eurjchem-2546	403	3	3.2.1	3.2.1	NUM
eurjchem-2546	403	4	.	.	PUNCT
eurjchem-2546	404	1	main	main	ADJ
eurjchem-2546	404	2	bands	band	NOUN
eurjchem-2546	404	3	3.2.2	3.2.2	NUM
eurjchem-2546	404	4	.	.	PUNCT
eurjchem-2546	405	1	additional	additional	ADJ
eurjchem-2546	405	2	transitions	transition	NOUN
eurjchem-2546	405	3	4	4	NUM
eurjchem-2546	405	4	.	.	PUNCT
eurjchem-2546	406	1	conclusions	conclusion	NOUN
eurjchem-2546	406	2	acknowledgements	acknowledgement	NOUN
eurjchem-2546	406	3	supporting	support	VERB
eurjchem-2546	406	4	information	information	NOUN
eurjchem-2546	406	5	disclosure	disclosure	NOUN
eurjchem-2546	406	6	statement	statement	NOUN
eurjchem-2546	406	7	credit	credit	NOUN
eurjchem-2546	406	8	authorship	authorship	NOUN
eurjchem-2546	406	9	contribution	contribution	NOUN
eurjchem-2546	406	10	statement	statement	NOUN
eurjchem-2546	406	11	orcid	orcid	NOUN
eurjchem-2546	406	12	and	and	CCONJ
eurjchem-2546	406	13	email	email	NOUN
eurjchem-2546	406	14	references	reference	NOUN
eurjchem-2546	406	15	printfield10	printfield10	PROPN
eurjchem-2546	406	16	:	:	PUNCT
eurjchem-2546	406	17	printfield11	printfield11	NOUN
eurjchem-2546	406	18	:	:	PUNCT
eurjchem-2546	406	19	printfield12	printfield12	PROPN
eurjchem-2546	406	20	:	:	PUNCT
eurjchem-2546	406	21	printfield13	printfield13	VERB
eurjchem-2546	406	22	:	:	PUNCT
eurjchem-2546	406	23	printfield14	printfield14	NOUN
eurjchem-2546	406	24	:	:	PUNCT
eurjchem-2546	406	25	printfield15	printfield15	NOUN
eurjchem-2546	406	26	:	:	PUNCT
eurjchem-2546	406	27	printfield20	printfield20	PROPN
eurjchem-2546	406	28	:	:	PUNCT
eurjchem-2546	406	29	printfield21	printfield21	ADJ
eurjchem-2546	406	30	:	:	PUNCT
eurjchem-2546	406	31	printfield22	printfield22	NOUN
eurjchem-2546	406	32	:	:	PUNCT
eurjchem-2546	406	33	printfield23	printfield23	NOUN
eurjchem-2546	406	34	:	:	PUNCT
eurjchem-2546	406	35	printfield24	printfield24	NOUN
eurjchem-2546	406	36	:	:	PUNCT
eurjchem-2546	406	37	printfield25	printfield25	NOUN
eurjchem-2546	406	38	:	:	PUNCT