id	sid	tid	token	lemma	pos
eurjchem-1364	1	1	untitled	untitle	VERB
eurjchem-1364	1	2	european	european	PROPN
eurjchem-1364	1	3	journal	journal	PROPN
eurjchem-1364	1	4	of	of	ADP
eurjchem-1364	1	5	chemistry	chemistry	NOUN
eurjchem-1364	1	6	7	7	NUM
eurjchem-1364	1	7	(	(	PUNCT
eurjchem-1364	1	8	2	2	NUM
eurjchem-1364	1	9	)	)	PUNCT
eurjchem-1364	1	10	(	(	PUNCT
eurjchem-1364	1	11	2016	2016	NUM
eurjchem-1364	1	12	)	)	PUNCT
eurjchem-1364	1	13	166‐175	166‐175	PROPN
eurjchem-1364	1	14	european	european	PROPN
eurjchem-1364	1	15	journal	journal	PROPN
eurjchem-1364	1	16	of	of	ADP
eurjchem-1364	1	17	chemistry	chemistry	NOUN
eurjchem-1364	1	18	issn	issn	PROPN
eurjchem-1364	1	19	2153‐2249	2153‐2249	PROPN
eurjchem-1364	1	20	(	(	PUNCT
eurjchem-1364	1	21	print	print	NOUN
eurjchem-1364	1	22	)	)	PUNCT
eurjchem-1364	1	23	/	/	SYM
eurjchem-1364	1	24	issn	issn	PROPN
eurjchem-1364	1	25	2153‐2257	2153‐2257	NUM
eurjchem-1364	1	26	(	(	PUNCT
eurjchem-1364	1	27	online	online	ADJ
eurjchem-1364	1	28	)	)	PUNCT
eurjchem-1364	1	29			NOUN
eurjchem-1364	1	30	2016	2016	NUM
eurjchem-1364	1	31	atlanta	atlanta	PROPN
eurjchem-1364	1	32	publishing	publishing	PROPN
eurjchem-1364	1	33	house	house	PROPN
eurjchem-1364	1	34	llc	llc	PROPN
eurjchem-1364	1	35	‐	‐	PUNCT
eurjchem-1364	1	36	all	all	DET
eurjchem-1364	1	37	rights	right	NOUN
eurjchem-1364	1	38	reserved	reserve	VERB
eurjchem-1364	1	39	‐	‐	NOUN
eurjchem-1364	1	40	printed	print	VERB
eurjchem-1364	1	41	in	in	ADP
eurjchem-1364	1	42	the	the	DET
eurjchem-1364	1	43	usa	usa	PROPN
eurjchem-1364	1	44	http://dx.doi.org/10.5155/eurjchem.7.2.166‐175.1364	http://dx.doi.org/10.5155/eurjchem.7.2.166‐175.1364	PROPN
eurjchem-1364	1	45	european	european	PROPN
eurjchem-1364	1	46	journal	journal	PROPN
eurjchem-1364	1	47	of	of	ADP
eurjchem-1364	1	48	chemistry	chemistry	PROPN
eurjchem-1364	1	49	journal	journal	PROPN
eurjchem-1364	1	50	webpage	webpage	NOUN
eurjchem-1364	1	51	:	:	PUNCT
eurjchem-1364	1	52	www.eurjchem.com	www.eurjchem.com	X
eurjchem-1364	1	53	reaction	reaction	NOUN
eurjchem-1364	1	54	paths	path	NOUN
eurjchem-1364	1	55	and	and	CCONJ
eurjchem-1364	1	56	transition	transition	NOUN
eurjchem-1364	1	57	states	state	NOUN
eurjchem-1364	1	58	of	of	ADP
eurjchem-1364	1	59	the	the	DET
eurjchem-1364	1	60	c‐c	c‐c	PROPN
eurjchem-1364	1	61	and	and	CCONJ
eurjchem-1364	1	62	c‐h	c‐h	PROPN
eurjchem-1364	1	63	bond	bond	NOUN
eurjchem-1364	1	64	cleavage	cleavage	NOUN
eurjchem-1364	1	65	in	in	ADP
eurjchem-1364	1	66	the	the	DET
eurjchem-1364	1	67	aromatic	aromatic	ADJ
eurjchem-1364	1	68	anthracene	anthracene	NOUN
eurjchem-1364	1	69	and	and	CCONJ
eurjchem-1364	1	70	phenanthrene	phenanthrene	NOUN
eurjchem-1364	1	71	molecules	molecule	NOUN
eurjchem-1364	1	72	muthana	muthana	PROPN
eurjchem-1364	1	73	abduljabbar	abduljabbar	PROPN
eurjchem-1364	1	74	shanshal	shanshal	VERB
eurjchem-1364	1	75	*	*	PUNCT
eurjchem-1364	1	76	,	,	PUNCT
eurjchem-1364	1	77	muntadhar	muntadhar	PROPN
eurjchem-1364	1	78	abdulbary	abdulbary	VERB
eurjchem-1364	1	79	al‐yassiri	al‐yassiri	NOUN
eurjchem-1364	1	80	and	and	CCONJ
eurjchem-1364	1	81	qhatan	qhatan	PROPN
eurjchem-1364	1	82	adnan	adnan	PROPN
eurjchem-1364	1	83	yusof	yusof	PROPN
eurjchem-1364	1	84	department	department	PROPN
eurjchem-1364	1	85	of	of	ADP
eurjchem-1364	1	86	chemistry	chemistry	NOUN
eurjchem-1364	1	87	,	,	PUNCT
eurjchem-1364	1	88	college	college	NOUN
eurjchem-1364	1	89	of	of	ADP
eurjchem-1364	1	90	science	science	NOUN
eurjchem-1364	1	91	,	,	PUNCT
eurjchem-1364	1	92	university	university	NOUN
eurjchem-1364	1	93	of	of	ADP
eurjchem-1364	1	94	baghdad	baghdad	PROPN
eurjchem-1364	1	95	,	,	PUNCT
eurjchem-1364	1	96	jadirriya	jadirriya	NOUN
eurjchem-1364	1	97	,	,	PUNCT
eurjchem-1364	1	98	baghdad	baghdad	PROPN
eurjchem-1364	1	99	,	,	PUNCT
eurjchem-1364	1	100	00964‐01	00964‐01	NUM
eurjchem-1364	1	101	,	,	PUNCT
eurjchem-1364	1	102	iraq	iraq	PROPN
eurjchem-1364	1	103	*	*	PUNCT
eurjchem-1364	1	104	corresponding	correspond	VERB
eurjchem-1364	1	105	author	author	NOUN
eurjchem-1364	1	106	at	at	ADP
eurjchem-1364	1	107	:	:	PUNCT
eurjchem-1364	1	108	department	department	NOUN
eurjchem-1364	1	109	of	of	ADP
eurjchem-1364	1	110	chemistry	chemistry	NOUN
eurjchem-1364	1	111	,	,	PUNCT
eurjchem-1364	1	112	college	college	NOUN
eurjchem-1364	1	113	of	of	ADP
eurjchem-1364	1	114	science	science	NOUN
eurjchem-1364	1	115	,	,	PUNCT
eurjchem-1364	1	116	university	university	NOUN
eurjchem-1364	1	117	of	of	ADP
eurjchem-1364	1	118	baghdad	baghdad	PROPN
eurjchem-1364	1	119	,	,	PUNCT
eurjchem-1364	1	120	jadirriya	jadirriya	NOUN
eurjchem-1364	1	121	,	,	PUNCT
eurjchem-1364	1	122	baghdad	baghdad	PROPN
eurjchem-1364	1	123	,	,	PUNCT
eurjchem-1364	1	124	00964‐01	00964‐01	NUM
eurjchem-1364	1	125	,	,	PUNCT
eurjchem-1364	1	126	iraq	iraq	PROPN
eurjchem-1364	1	127	.	.	PUNCT
eurjchem-1364	2	1	tel	tel	PROPN
eurjchem-1364	2	2	.	.	PUNCT
eurjchem-1364	2	3	:	:	PUNCT
eurjchem-1364	3	1	+964.790.2824400	+964.790.2824400	X
eurjchem-1364	3	2	.	.	PUNCT
eurjchem-1364	4	1	fax	fax	NOUN
eurjchem-1364	4	2	:	:	PUNCT
eurjchem-1364	4	3	+964.790.2824400	+964.790.2824400	NOUN
eurjchem-1364	4	4	.	.	PUNCT
eurjchem-1364	4	5	e‐mail	e‐mail	PUNCT
eurjchem-1364	5	1	address	address	NOUN
eurjchem-1364	5	2	:	:	PUNCT
eurjchem-1364	5	3	mshanshal2003@yahoo.com	mshanshal2003@yahoo.com	X
eurjchem-1364	6	1	(	(	PUNCT
eurjchem-1364	6	2	m.a	m.a	PROPN
eurjchem-1364	6	3	.	.	PROPN
eurjchem-1364	6	4	shanshal	shanshal	PROPN
eurjchem-1364	6	5	)	)	PUNCT
eurjchem-1364	6	6	.	.	PUNCT
eurjchem-1364	7	1	article	article	NOUN
eurjchem-1364	7	2	information	information	PROPN
eurjchem-1364	7	3	abstract	abstract	ADJ
eurjchem-1364	7	4	doi	doi	NOUN
eurjchem-1364	7	5	:	:	PUNCT
eurjchem-1364	7	6	10.5155	10.5155	NUM
eurjchem-1364	7	7	/	/	SYM
eurjchem-1364	7	8	eurjchem.7.2.166‐175.1364	eurjchem.7.2.166‐175.1364	VERB
eurjchem-1364	7	9	received	receive	VERB
eurjchem-1364	7	10	:	:	PUNCT
eurjchem-1364	7	11	11	11	NUM
eurjchem-1364	7	12	november	november	NOUN
eurjchem-1364	7	13	2015	2015	NUM
eurjchem-1364	7	14	received	receive	VERB
eurjchem-1364	7	15	in	in	ADP
eurjchem-1364	7	16	revised	revise	VERB
eurjchem-1364	7	17	form	form	NOUN
eurjchem-1364	7	18	:	:	PUNCT
eurjchem-1364	7	19	05	05	NUM
eurjchem-1364	7	20	february	february	PROPN
eurjchem-1364	7	21	2016	2016	NUM
eurjchem-1364	7	22	accepted	accept	VERB
eurjchem-1364	7	23	:	:	PUNCT
eurjchem-1364	7	24	06	06	NUM
eurjchem-1364	7	25	february	february	PROPN
eurjchem-1364	7	26	2016	2016	NUM
eurjchem-1364	7	27	published	publish	VERB
eurjchem-1364	7	28	online	online	ADV
eurjchem-1364	7	29	:	:	PUNCT
eurjchem-1364	7	30	30	30	NUM
eurjchem-1364	7	31	june	june	PROPN
eurjchem-1364	7	32	2016	2016	NUM
eurjchem-1364	7	33	printed	print	VERB
eurjchem-1364	7	34	:	:	PUNCT
eurjchem-1364	7	35	30	30	NUM
eurjchem-1364	7	36	june	june	PROPN
eurjchem-1364	7	37	2016	2016	NUM
eurjchem-1364	7	38	the	the	DET
eurjchem-1364	7	39	reaction	reaction	NOUN
eurjchem-1364	7	40	paths	path	NOUN
eurjchem-1364	7	41	of	of	ADP
eurjchem-1364	7	42	the	the	DET
eurjchem-1364	7	43	c‐c	c‐c	PROPN
eurjchem-1364	7	44	and	and	CCONJ
eurjchem-1364	7	45	c‐h	c‐h	PROPN
eurjchem-1364	7	46	bond	bond	NOUN
eurjchem-1364	7	47	cleavage	cleavage	NOUN
eurjchem-1364	7	48	in	in	ADP
eurjchem-1364	7	49	the	the	DET
eurjchem-1364	7	50	anthracene	anthracene	NOUN
eurjchem-1364	7	51	and	and	CCONJ
eurjchem-1364	7	52	phenanthrene	phenanthrene	NOUN
eurjchem-1364	7	53	aromatic	aromatic	ADJ
eurjchem-1364	7	54	molecules	molecule	NOUN
eurjchem-1364	7	55	are	be	AUX
eurjchem-1364	7	56	studied	study	VERB
eurjchem-1364	7	57	by	by	ADP
eurjchem-1364	7	58	applying	apply	VERB
eurjchem-1364	7	59	the	the	DET
eurjchem-1364	7	60	ab‐initio	ab‐initio	NOUN
eurjchem-1364	7	61	dft	dft	NOUN
eurjchem-1364	7	62	method	method	NOUN
eurjchem-1364	7	63	.	.	PUNCT
eurjchem-1364	8	1	it	it	PRON
eurjchem-1364	8	2	is	be	AUX
eurjchem-1364	8	3	found	find	VERB
eurjchem-1364	8	4	that	that	SCONJ
eurjchem-1364	8	5	the	the	DET
eurjchem-1364	8	6	c‐c	c‐c	PROPN
eurjchem-1364	8	7	bond	bond	NOUN
eurjchem-1364	8	8	cleavage	cleavage	NOUN
eurjchem-1364	8	9	proceeds	proceed	NOUN
eurjchem-1364	8	10	via	via	ADP
eurjchem-1364	8	11	a	a	DET
eurjchem-1364	8	12	singlet	singlet	ADJ
eurjchem-1364	8	13	aromatic	aromatic	ADJ
eurjchem-1364	8	14	transition	transition	NOUN
eurjchem-1364	8	15	state	state	NOUN
eurjchem-1364	8	16	,	,	PUNCT
eurjchem-1364	8	17	compelled	compel	VERB
eurjchem-1364	8	18	through	through	ADP
eurjchem-1364	8	19	a	a	DET
eurjchem-1364	8	20	disrotatoric	disrotatoric	ADJ
eurjchem-1364	8	21	ring	ring	NOUN
eurjchem-1364	8	22	opening	opening	NOUN
eurjchem-1364	8	23	reaction	reaction	NOUN
eurjchem-1364	8	24	.	.	PUNCT
eurjchem-1364	9	1	a	a	DET
eurjchem-1364	9	2	suprafacial	suprafacial	ADJ
eurjchem-1364	9	3	h	h	NOUN
eurjchem-1364	9	4	atom	atom	NOUN
eurjchem-1364	9	5	shift	shift	NOUN
eurjchem-1364	9	6	follows	follow	VERB
eurjchem-1364	9	7	the	the	DET
eurjchem-1364	9	8	transition	transition	NOUN
eurjchem-1364	9	9	state	state	NOUN
eurjchem-1364	9	10	,	,	PUNCT
eurjchem-1364	9	11	leading	lead	VERB
eurjchem-1364	9	12	to	to	ADP
eurjchem-1364	9	13	the	the	DET
eurjchem-1364	9	14	formation	formation	NOUN
eurjchem-1364	9	15	of	of	ADP
eurjchem-1364	9	16	a	a	DET
eurjchem-1364	9	17	methylene	methylene	NOUN
eurjchem-1364	9	18	‐ch2	‐ch2	NOUN
eurjchem-1364	9	19	and	and	CCONJ
eurjchem-1364	9	20	an	an	DET
eurjchem-1364	9	21	acetylenic	acetylenic	ADJ
eurjchem-1364	9	22	or	or	CCONJ
eurjchem-1364	9	23	allenic	allenic	ADJ
eurjchem-1364	9	24	moiety	moiety	NOUN
eurjchem-1364	9	25	.	.	PUNCT
eurjchem-1364	10	1	the	the	DET
eurjchem-1364	10	2	calculated	calculate	VERB
eurjchem-1364	10	3	activation	activation	NOUN
eurjchem-1364	10	4	energies	energy	NOUN
eurjchem-1364	10	5	for	for	ADP
eurjchem-1364	10	6	anthracene	anthracene	ADJ
eurjchem-1364	10	7	range	range	NOUN
eurjchem-1364	10	8	from	from	ADP
eurjchem-1364	10	9	158.81‐208.90	158.81‐208.90	NUM
eurjchem-1364	10	10	kcal	kcal	NOUN
eurjchem-1364	10	11	/	/	SYM
eurjchem-1364	10	12	mol	mol	PROPN
eurjchem-1364	10	13	and	and	CCONJ
eurjchem-1364	10	14	the	the	DET
eurjchem-1364	10	15	reaction	reaction	NOUN
eurjchem-1364	10	16	energies	energy	NOUN
eurjchem-1364	10	17	from	from	ADP
eurjchem-1364	10	18	96.106‐156.976	96.106‐156.976	NUM
eurjchem-1364	10	19	kcal	kcal	NOUN
eurjchem-1364	10	20	/	/	SYM
eurjchem-1364	10	21	mol	mol	PROPN
eurjchem-1364	10	22	.	.	PROPN
eurjchem-1364	10	23	for	for	ADP
eurjchem-1364	10	24	phenanthrene	phenanthrene	NOUN
eurjchem-1364	10	25	,	,	PUNCT
eurjchem-1364	10	26	the	the	DET
eurjchem-1364	10	27	energy	energy	NOUN
eurjchem-1364	10	28	values	value	NOUN
eurjchem-1364	10	29	are	be	AUX
eurjchem-1364	10	30	157.39‐202.34	157.39‐202.34	NUM
eurjchem-1364	10	31	kcal	kcal	NOUN
eurjchem-1364	10	32	/	/	SYM
eurjchem-1364	10	33	mol	mol	ADP
eurjchem-1364	10	34	and	and	CCONJ
eurjchem-1364	10	35	62.639‐182.423	62.639‐182.423	NUM
eurjchem-1364	10	36	kcal	kcal	NOUN
eurjchem-1364	10	37	/	/	SYM
eurjchem-1364	10	38	mol	mol	PROPN
eurjchem-1364	10	39	,	,	PUNCT
eurjchem-1364	10	40	respectively	respectively	ADV
eurjchem-1364	10	41	.	.	PUNCT
eurjchem-1364	11	1	for	for	ADP
eurjchem-1364	11	2	the	the	DET
eurjchem-1364	11	3	c‐h	c‐h	PROPN
eurjchem-1364	11	4	cleavage	cleavage	NOUN
eurjchem-1364	11	5	reactions	reaction	NOUN
eurjchem-1364	11	6	,	,	PUNCT
eurjchem-1364	11	7	the	the	DET
eurjchem-1364	11	8	calculated	calculated	ADJ
eurjchem-1364	11	9	reaction	reaction	NOUN
eurjchem-1364	11	10	energies	energy	NOUN
eurjchem-1364	11	11	for	for	ADP
eurjchem-1364	11	12	all	all	DET
eurjchem-1364	11	13	c‐h	c‐h	PROPN
eurjchem-1364	11	14	bonds	bond	NOUN
eurjchem-1364	11	15	in	in	ADP
eurjchem-1364	11	16	both	both	DET
eurjchem-1364	11	17	molecules	molecule	NOUN
eurjchem-1364	11	18	are	be	AUX
eurjchem-1364	11	19	almost	almost	ADV
eurjchem-1364	11	20	similar	similar	ADJ
eurjchem-1364	11	21	,	,	PUNCT
eurjchem-1364	11	22	116‐117	116‐117	NUM
eurjchem-1364	11	23	kcal	kcal	PROPN
eurjchem-1364	11	24	/	/	SYM
eurjchem-1364	11	25	mol	mol	PROPN
eurjchem-1364	11	26	.	.	PUNCT
eurjchem-1364	12	1	the	the	DET
eurjchem-1364	12	2	activation	activation	NOUN
eurjchem-1364	12	3	energy	energy	NOUN
eurjchem-1364	12	4	values	value	NOUN
eurjchem-1364	12	5	for	for	ADP
eurjchem-1364	12	6	anthracene	anthracene	NOUN
eurjchem-1364	12	7	and	and	CCONJ
eurjchem-1364	12	8	phenanthreneare	phenanthreneare	VERB
eurjchem-1364	12	9	149.75‐161.27	149.75‐161.27	NUM
eurjchem-1364	12	10	and	and	CCONJ
eurjchem-1364	12	11	161.24‐163.00	161.24‐163.00	NUM
eurjchem-1364	12	12	kcal	kcal	NOUN
eurjchem-1364	12	13	/	/	SYM
eurjchem-1364	12	14	mol	mol	PROPN
eurjchem-1364	12	15	,	,	PUNCT
eurjchem-1364	12	16	respectively	respectively	ADV
eurjchem-1364	12	17	.	.	PUNCT
eurjchem-1364	13	1	keywords	keyword	VERB
eurjchem-1364	13	2	dft	dft	PROPN
eurjchem-1364	13	3	b3lyp	b3lyp	PROPN
eurjchem-1364	13	4	anthracene	anthracene	PROPN
eurjchem-1364	13	5	phenanthrene	phenanthrene	NOUN
eurjchem-1364	13	6	reaction	reaction	NOUN
eurjchem-1364	13	7	paths	path	NOUN
eurjchem-1364	13	8	c‐c	c‐c	PROPN
eurjchem-1364	13	9	and	and	CCONJ
eurjchem-1364	13	10	c‐h	c‐h	PROPN
eurjchem-1364	13	11	bond	bond	NOUN
eurjchem-1364	13	12	cleavage	cleavage	NOUN
eurjchem-1364	13	13	cite	cite	VERB
eurjchem-1364	13	14	this	this	PRON
eurjchem-1364	13	15	:	:	PUNCT
eurjchem-1364	13	16	eur	eur	PROPN
eurjchem-1364	13	17	.	.	PUNCT
eurjchem-1364	14	1	j.	j.	PROPN
eurjchem-1364	14	2	chem	chem	PROPN
eurjchem-1364	14	3	.	.	PUNCT
eurjchem-1364	15	1	2016	2016	NUM
eurjchem-1364	15	2	,	,	PUNCT
eurjchem-1364	15	3	7(2	7(2	NUM
eurjchem-1364	15	4	)	)	PUNCT
eurjchem-1364	15	5	,	,	PUNCT
eurjchem-1364	15	6	166‐175	166‐175	PROPN
eurjchem-1364	15	7	1	1	NUM
eurjchem-1364	15	8	.	.	PUNCT
eurjchem-1364	15	9	introduction	introduction	NOUN
eurjchem-1364	15	10	applying	apply	VERB
eurjchem-1364	15	11	advanced	advanced	ADJ
eurjchem-1364	15	12	quantum	quantum	ADJ
eurjchem-1364	15	13	mechanical	mechanical	ADJ
eurjchem-1364	15	14	methods	method	NOUN
eurjchem-1364	15	15	,	,	PUNCT
eurjchem-1364	15	16	it	it	PRON
eurjchem-1364	15	17	is	be	AUX
eurjchem-1364	15	18	possible	possible	ADJ
eurjchem-1364	15	19	to	to	PART
eurjchem-1364	15	20	study	study	VERB
eurjchem-1364	15	21	the	the	DET
eurjchem-1364	15	22	geometries	geometry	NOUN
eurjchem-1364	15	23	and	and	CCONJ
eurjchem-1364	15	24	energies	energy	NOUN
eurjchem-1364	15	25	of	of	ADP
eurjchem-1364	15	26	the	the	DET
eurjchem-1364	15	27	transition	transition	NOUN
eurjchem-1364	15	28	states	state	NOUN
eurjchem-1364	15	29	(	(	PUNCT
eurjchem-1364	15	30	ts	ts	NOUN
eurjchem-1364	15	31	)	)	PUNCT
eurjchem-1364	15	32	and	and	CCONJ
eurjchem-1364	15	33	reaction	reaction	NOUN
eurjchem-1364	15	34	products	product	NOUN
eurjchem-1364	15	35	(	(	PUNCT
eurjchem-1364	15	36	rp	rp	NOUN
eurjchem-1364	15	37	)	)	PUNCT
eurjchem-1364	15	38	of	of	ADP
eurjchem-1364	15	39	the	the	DET
eurjchem-1364	15	40	c‐c	c‐c	PROPN
eurjchem-1364	15	41	and	and	CCONJ
eurjchem-1364	15	42	c‐h	c‐h	PROPN
eurjchem-1364	15	43	bond	bond	NOUN
eurjchem-1364	15	44	cleavage	cleavage	NOUN
eurjchem-1364	15	45	reactions	reaction	NOUN
eurjchem-1364	15	46	for	for	ADP
eurjchem-1364	15	47	various	various	ADJ
eurjchem-1364	15	48	aromatic	aromatic	ADJ
eurjchem-1364	15	49	molecules	molecule	NOUN
eurjchem-1364	15	50	[	[	X
eurjchem-1364	15	51	1‐6	1‐6	NOUN
eurjchem-1364	15	52	]	]	PUNCT
eurjchem-1364	15	53	.	.	PUNCT
eurjchem-1364	16	1	for	for	ADP
eurjchem-1364	16	2	all	all	DET
eurjchem-1364	16	3	the	the	DET
eurjchem-1364	16	4	investigated	investigate	VERB
eurjchem-1364	16	5	molecules	molecule	NOUN
eurjchem-1364	16	6	,	,	PUNCT
eurjchem-1364	16	7	different	different	ADJ
eurjchem-1364	16	8	structures	structure	NOUN
eurjchem-1364	16	9	and	and	CCONJ
eurjchem-1364	16	10	energies	energy	NOUN
eurjchem-1364	16	11	resulted	result	VERB
eurjchem-1364	16	12	for	for	ADP
eurjchem-1364	16	13	the	the	DET
eurjchem-1364	16	14	different	different	ADJ
eurjchem-1364	16	15	c‐c	c‐c	NOUN
eurjchem-1364	16	16	bonds	bond	NOUN
eurjchem-1364	16	17	,	,	PUNCT
eurjchem-1364	16	18	i.e.	i.e.	X
eurjchem-1364	16	19	no	no	DET
eurjchem-1364	16	20	fixed	fix	VERB
eurjchem-1364	16	21	pictures	picture	NOUN
eurjchem-1364	16	22	for	for	ADP
eurjchem-1364	16	23	the	the	DET
eurjchem-1364	16	24	reactions	reaction	NOUN
eurjchem-1364	16	25	of	of	ADP
eurjchem-1364	16	26	these	these	DET
eurjchem-1364	16	27	bonds	bond	NOUN
eurjchem-1364	16	28	were	be	AUX
eurjchem-1364	16	29	obtained	obtain	VERB
eurjchem-1364	16	30	.	.	PUNCT
eurjchem-1364	17	1	these	these	DET
eurjchem-1364	17	2	results	result	NOUN
eurjchem-1364	17	3	imposed	impose	VERB
eurjchem-1364	17	4	the	the	DET
eurjchem-1364	17	5	necessity	necessity	NOUN
eurjchem-1364	17	6	of	of	ADP
eurjchem-1364	17	7	studying	study	VERB
eurjchem-1364	17	8	the	the	DET
eurjchem-1364	17	9	reactions	reaction	NOUN
eurjchem-1364	17	10	for	for	ADP
eurjchem-1364	17	11	the	the	DET
eurjchem-1364	17	12	different	different	ADJ
eurjchem-1364	17	13	bonds	bond	NOUN
eurjchem-1364	17	14	in	in	ADP
eurjchem-1364	17	15	a	a	DET
eurjchem-1364	17	16	sufficient	sufficient	ADJ
eurjchem-1364	17	17	number	number	NOUN
eurjchem-1364	17	18	of	of	ADP
eurjchem-1364	17	19	aromatic	aromatic	ADJ
eurjchem-1364	17	20	molecules	molecule	NOUN
eurjchem-1364	17	21	aiming	aim	VERB
eurjchem-1364	17	22	at	at	ADP
eurjchem-1364	17	23	achieving	achieve	VERB
eurjchem-1364	17	24	a	a	DET
eurjchem-1364	17	25	possible	possible	ADJ
eurjchem-1364	17	26	general	general	ADJ
eurjchem-1364	17	27	description	description	NOUN
eurjchem-1364	17	28	of	of	ADP
eurjchem-1364	17	29	the	the	DET
eurjchem-1364	17	30	c‐c	c‐c	PROPN
eurjchem-1364	17	31	cleavage	cleavage	NOUN
eurjchem-1364	17	32	reaction	reaction	NOUN
eurjchem-1364	17	33	.	.	PUNCT
eurjchem-1364	18	1	in	in	ADP
eurjchem-1364	18	2	contrast	contrast	NOUN
eurjchem-1364	18	3	to	to	ADP
eurjchem-1364	18	4	that	that	PRON
eurjchem-1364	18	5	the	the	DET
eurjchem-1364	18	6	c‐h	c‐h	PROPN
eurjchem-1364	18	7	bond	bond	NOUN
eurjchem-1364	18	8	cleavage	cleavage	NOUN
eurjchem-1364	18	9	reactions	reaction	NOUN
eurjchem-1364	18	10	seemed	seem	VERB
eurjchem-1364	18	11	to	to	PART
eurjchem-1364	18	12	follow	follow	VERB
eurjchem-1364	18	13	a	a	DET
eurjchem-1364	18	14	common	common	ADJ
eurjchem-1364	18	15	pattern	pattern	NOUN
eurjchem-1364	18	16	,	,	PUNCT
eurjchem-1364	18	17	i.e.	i.e.	X
eurjchem-1364	18	18	coplanar	coplanar	ADJ
eurjchem-1364	18	19	transition	transition	NOUN
eurjchem-1364	18	20	state	state	NOUN
eurjchem-1364	18	21	and	and	CCONJ
eurjchem-1364	18	22	reaction	reaction	NOUN
eurjchem-1364	18	23	product	product	NOUN
eurjchem-1364	18	24	for	for	ADP
eurjchem-1364	18	25	all	all	DET
eurjchem-1364	18	26	such	such	ADJ
eurjchem-1364	18	27	bonds	bond	NOUN
eurjchem-1364	18	28	in	in	ADP
eurjchem-1364	18	29	these	these	DET
eurjchem-1364	18	30	molecules	molecule	NOUN
eurjchem-1364	18	31	.	.	PUNCT
eurjchem-1364	19	1	however	however	ADV
eurjchem-1364	19	2	as	as	ADV
eurjchem-1364	19	3	far	far	ADV
eurjchem-1364	19	4	as	as	SCONJ
eurjchem-1364	19	5	the	the	DET
eurjchem-1364	19	6	c‐c	c‐c	PROPN
eurjchem-1364	19	7	bond	bond	NOUN
eurjchem-1364	19	8	cleavage	cleavage	NOUN
eurjchem-1364	19	9	reactions	reaction	NOUN
eurjchem-1364	19	10	are	be	AUX
eurjchem-1364	19	11	concerned	concern	VERB
eurjchem-1364	19	12	,	,	PUNCT
eurjchem-1364	19	13	the	the	DET
eurjchem-1364	19	14	following	follow	VERB
eurjchem-1364	19	15	properties	property	NOUN
eurjchem-1364	19	16	of	of	ADP
eurjchem-1364	19	17	the	the	DET
eurjchem-1364	19	18	reactions	reaction	NOUN
eurjchem-1364	19	19	seemed	seem	VERB
eurjchem-1364	19	20	to	to	PART
eurjchem-1364	19	21	be	be	AUX
eurjchem-1364	19	22	common	common	ADJ
eurjchem-1364	19	23	;	;	PUNCT
eurjchem-1364	19	24	1	1	X
eurjchem-1364	19	25	.	.	X
eurjchem-1364	19	26	for	for	ADP
eurjchem-1364	19	27	all	all	DET
eurjchem-1364	19	28	the	the	DET
eurjchem-1364	19	29	studied	study	VERB
eurjchem-1364	19	30	reactions	reaction	NOUN
eurjchem-1364	19	31	,	,	PUNCT
eurjchem-1364	19	32	the	the	DET
eurjchem-1364	19	33	singlet	singlet	ADJ
eurjchem-1364	19	34	electron	electron	NOUN
eurjchem-1364	19	35	configuration	configuration	NOUN
eurjchem-1364	19	36	(	(	PUNCT
eurjchem-1364	19	37	s	s	X
eurjchem-1364	19	38	)	)	PUNCT
eurjchem-1364	19	39	for	for	ADP
eurjchem-1364	19	40	the	the	DET
eurjchem-1364	19	41	reaction	reaction	NOUN
eurjchem-1364	19	42	transition	transition	NOUN
eurjchem-1364	19	43	state	state	NOUN
eurjchem-1364	19	44	(	(	PUNCT
eurjchem-1364	19	45	ts	ts	NOUN
eurjchem-1364	19	46	)	)	PUNCT
eurjchem-1364	19	47	seems	seem	VERB
eurjchem-1364	19	48	to	to	PART
eurjchem-1364	19	49	be	be	AUX
eurjchem-1364	19	50	common	common	ADJ
eurjchem-1364	19	51	.	.	PUNCT
eurjchem-1364	20	1	no	no	PRON
eurjchem-1364	20	2	ts	ts	ADV
eurjchem-1364	20	3	with	with	ADP
eurjchem-1364	20	4	a	a	DET
eurjchem-1364	20	5	triplet	triplet	NOUN
eurjchem-1364	20	6	(	(	PUNCT
eurjchem-1364	20	7	t	t	NOUN
eurjchem-1364	20	8	)	)	PUNCT
eurjchem-1364	20	9	electron	electron	NOUN
eurjchem-1364	20	10	configuration	configuration	NOUN
eurjchem-1364	20	11	seemed	seem	VERB
eurjchem-1364	20	12	probable	probable	ADJ
eurjchem-1364	20	13	.	.	PUNCT
eurjchem-1364	21	1	2	2	X
eurjchem-1364	21	2	.	.	X
eurjchem-1364	21	3	for	for	ADP
eurjchem-1364	21	4	all	all	DET
eurjchem-1364	21	5	the	the	DET
eurjchem-1364	21	6	studied	study	VERB
eurjchem-1364	21	7	reactions	reaction	NOUN
eurjchem-1364	21	8	,	,	PUNCT
eurjchem-1364	21	9	the	the	DET
eurjchem-1364	21	10	law	law	NOUN
eurjchem-1364	21	11	of	of	ADP
eurjchem-1364	21	12	the	the	DET
eurjchem-1364	21	13	aromatic	aromatic	ADJ
eurjchem-1364	21	14	transition	transition	NOUN
eurjchem-1364	21	15	states	state	NOUN
eurjchem-1364	21	16	[	[	X
eurjchem-1364	21	17	7	7	X
eurjchem-1364	21	18	]	]	PUNCT
eurjchem-1364	21	19	seems	seem	VERB
eurjchem-1364	21	20	to	to	PART
eurjchem-1364	21	21	hold	hold	VERB
eurjchem-1364	21	22	,	,	PUNCT
eurjchem-1364	21	23	i.e.	i.e.	X
eurjchem-1364	21	24	all	all	DET
eurjchem-1364	21	25	calculated	calculate	VERB
eurjchem-1364	21	26	transition	transition	NOUN
eurjchem-1364	21	27	states	state	NOUN
eurjchem-1364	21	28	satisfied	satisfied	ADJ
eurjchem-1364	21	29	hückel	hückel	PROPN
eurjchem-1364	21	30	’s	’s	PART
eurjchem-1364	21	31	(	(	PUNCT
eurjchem-1364	21	32	4n+2	4n+2	NOUN
eurjchem-1364	21	33	)	)	PUNCT
eurjchem-1364	21	34	rule	rule	NOUN
eurjchem-1364	21	35	for	for	ADP
eurjchem-1364	21	36	aromaticity	aromaticity	NOUN
eurjchem-1364	21	37	.	.	PUNCT
eurjchem-1364	22	1	3	3	X
eurjchem-1364	22	2	.	.	X
eurjchem-1364	22	3	for	for	ADP
eurjchem-1364	22	4	most	most	ADJ
eurjchem-1364	22	5	of	of	ADP
eurjchem-1364	22	6	the	the	DET
eurjchem-1364	22	7	studied	study	VERB
eurjchem-1364	22	8	reactions	reaction	NOUN
eurjchem-1364	22	9	,	,	PUNCT
eurjchem-1364	22	10	the	the	DET
eurjchem-1364	22	11	singlet	singlet	ADJ
eurjchem-1364	22	12	reaction	reaction	NOUN
eurjchem-1364	22	13	product	product	NOUN
eurjchem-1364	22	14	was	be	AUX
eurjchem-1364	22	15	formed	form	VERB
eurjchem-1364	22	16	through	through	ADP
eurjchem-1364	22	17	sigmatropic	sigmatropic	ADJ
eurjchem-1364	22	18	shifts	shift	NOUN
eurjchem-1364	22	19	of	of	ADP
eurjchem-1364	22	20	a	a	DET
eurjchem-1364	22	21	h⋅atom	h⋅atom	PROPN
eurjchem-1364	22	22	leading	lead	VERB
eurjchem-1364	22	23	to	to	ADP
eurjchem-1364	22	24	the	the	DET
eurjchem-1364	22	25	formation	formation	NOUN
eurjchem-1364	22	26	of	of	ADP
eurjchem-1364	22	27	=	=	NOUN
eurjchem-1364	22	28	ch2	ch2	PROPN
eurjchem-1364	22	29	or	or	CCONJ
eurjchem-1364	22	30	–	–	PUNCT
eurjchem-1364	22	31	ch=	ch=	NOUN
eurjchem-1364	22	32	as	as	ADV
eurjchem-1364	22	33	well	well	ADV
eurjchem-1364	22	34	as	as	ADP
eurjchem-1364	22	35	an	an	DET
eurjchem-1364	22	36	acetylenic	acetylenic	ADJ
eurjchem-1364	22	37	or	or	CCONJ
eurjchem-1364	22	38	allenic	allenic	ADJ
eurjchem-1364	22	39	bond	bond	NOUN
eurjchem-1364	22	40	.	.	PUNCT
eurjchem-1364	23	1	no	no	DET
eurjchem-1364	23	2	such	such	ADJ
eurjchem-1364	23	3	shift	shift	NOUN
eurjchem-1364	23	4	was	be	AUX
eurjchem-1364	23	5	predicted	predict	VERB
eurjchem-1364	23	6	for	for	ADP
eurjchem-1364	23	7	the	the	DET
eurjchem-1364	23	8	triplet	triplet	NOUN
eurjchem-1364	23	9	product	product	NOUN
eurjchem-1364	23	10	.	.	PUNCT
eurjchem-1364	24	1	4	4	X
eurjchem-1364	24	2	.	.	X
eurjchem-1364	24	3	molecular	molecular	ADJ
eurjchem-1364	24	4	strain	strain	NOUN
eurjchem-1364	24	5	is	be	AUX
eurjchem-1364	24	6	a	a	DET
eurjchem-1364	24	7	strong	strong	ADJ
eurjchem-1364	24	8	and	and	CCONJ
eurjchem-1364	24	9	effective	effective	ADJ
eurjchem-1364	24	10	factor	factor	NOUN
eurjchem-1364	24	11	in	in	ADP
eurjchem-1364	24	12	determining	determine	VERB
eurjchem-1364	24	13	the	the	DET
eurjchem-1364	24	14	conformation	conformation	NOUN
eurjchem-1364	24	15	of	of	ADP
eurjchem-1364	24	16	the	the	DET
eurjchem-1364	24	17	transition	transition	NOUN
eurjchem-1364	24	18	state	state	NOUN
eurjchem-1364	24	19	and	and	CCONJ
eurjchem-1364	24	20	rp	rp	NOUN
eurjchem-1364	24	21	.	.	PUNCT
eurjchem-1364	25	1	due	due	ADP
eurjchem-1364	25	2	to	to	ADP
eurjchem-1364	25	3	the	the	DET
eurjchem-1364	25	4	industrial	industrial	ADJ
eurjchem-1364	25	5	and	and	CCONJ
eurjchem-1364	25	6	environmental	environmental	ADJ
eurjchem-1364	25	7	importance	importance	NOUN
eurjchem-1364	25	8	of	of	ADP
eurjchem-1364	25	9	the	the	DET
eurjchem-1364	25	10	polyaromatic	polyaromatic	ADJ
eurjchem-1364	25	11	hydrocarbons	hydrocarbon	NOUN
eurjchem-1364	25	12	(	(	PUNCT
eurjchem-1364	25	13	pah	pah	PROPN
eurjchem-1364	25	14	)	)	PUNCT
eurjchem-1364	25	15	,	,	PUNCT
eurjchem-1364	25	16	many	many	ADJ
eurjchem-1364	25	17	theoretical	theoretical	ADJ
eurjchem-1364	25	18	and	and	CCONJ
eurjchem-1364	25	19	experimental	experimental	ADJ
eurjchem-1364	25	20	studies	study	NOUN
eurjchem-1364	25	21	for	for	ADP
eurjchem-1364	25	22	their	their	PRON
eurjchem-1364	25	23	degradation	degradation	NOUN
eurjchem-1364	25	24	reactions	reaction	NOUN
eurjchem-1364	25	25	appeared	appear	VERB
eurjchem-1364	25	26	formerly	formerly	ADV
eurjchem-1364	25	27	in	in	ADP
eurjchem-1364	25	28	the	the	DET
eurjchem-1364	25	29	literature	literature	NOUN
eurjchem-1364	25	30	[	[	X
eurjchem-1364	25	31	8‐18	8‐18	X
eurjchem-1364	25	32	]	]	X
eurjchem-1364	25	33	.	.	PUNCT
eurjchem-1364	26	1	a	a	DET
eurjchem-1364	26	2	common	common	ADJ
eurjchem-1364	26	3	result	result	NOUN
eurjchem-1364	26	4	seemed	seem	VERB
eurjchem-1364	26	5	to	to	PART
eurjchem-1364	26	6	be	be	AUX
eurjchem-1364	26	7	that	that	SCONJ
eurjchem-1364	26	8	the	the	DET
eurjchem-1364	26	9	energies	energy	NOUN
eurjchem-1364	26	10	required	require	VERB
eurjchem-1364	26	11	for	for	ADP
eurjchem-1364	26	12	the	the	DET
eurjchem-1364	26	13	c‐h	c‐h	PROPN
eurjchem-1364	26	14	bond	bond	NOUN
eurjchem-1364	26	15	cleavage	cleavage	NOUN
eurjchem-1364	26	16	are	be	AUX
eurjchem-1364	26	17	lower	low	ADJ
eurjchem-1364	26	18	than	than	ADP
eurjchem-1364	26	19	those	those	PRON
eurjchem-1364	26	20	required	require	VERB
eurjchem-1364	26	21	for	for	ADP
eurjchem-1364	26	22	the	the	DET
eurjchem-1364	26	23	c	c	PROPN
eurjchem-1364	26	24	=	=	NOUN
eurjchem-1364	26	25	c	c	NOUN
eurjchem-1364	26	26	cleavage	cleavage	NOUN
eurjchem-1364	26	27	in	in	ADP
eurjchem-1364	26	28	pah	pah	PROPN
eurjchem-1364	26	29	molecules	molecule	NOUN
eurjchem-1364	26	30	.	.	PUNCT
eurjchem-1364	27	1	accordingly	accordingly	ADV
eurjchem-1364	27	2	,	,	PUNCT
eurjchem-1364	27	3	the	the	DET
eurjchem-1364	27	4	pah	pah	PROPN
eurjchem-1364	27	5	degradation	degradation	NOUN
eurjchem-1364	27	6	reactions	reaction	NOUN
eurjchem-1364	27	7	should	should	AUX
eurjchem-1364	27	8	start	start	VERB
eurjchem-1364	27	9	,	,	PUNCT
eurjchem-1364	27	10	in	in	ADP
eurjchem-1364	27	11	most	most	ADJ
eurjchem-1364	27	12	molecules	molecule	NOUN
eurjchem-1364	27	13	,	,	PUNCT
eurjchem-1364	27	14	with	with	ADP
eurjchem-1364	27	15	the	the	DET
eurjchem-1364	27	16	c‐h	c‐h	PROPN
eurjchem-1364	27	17	cleavage	cleavage	NOUN
eurjchem-1364	27	18	rather	rather	ADV
eurjchem-1364	27	19	than	than	ADP
eurjchem-1364	27	20	the	the	DET
eurjchem-1364	27	21	c‐c	c‐c	NOUN
eurjchem-1364	27	22	cleavage	cleavage	NOUN
eurjchem-1364	27	23	reactions	reaction	NOUN
eurjchem-1364	27	24	,	,	PUNCT
eurjchem-1364	27	25	a	a	DET
eurjchem-1364	27	26	fact	fact	NOUN
eurjchem-1364	27	27	that	that	PRON
eurjchem-1364	27	28	is	be	AUX
eurjchem-1364	27	29	usually	usually	ADV
eurjchem-1364	27	30	documented	document	VERB
eurjchem-1364	27	31	in	in	ADP
eurjchem-1364	27	32	the	the	DET
eurjchem-1364	27	33	organic	organic	ADJ
eurjchem-1364	27	34	chemical	chemical	NOUN
eurjchem-1364	27	35	literature	literature	NOUN
eurjchem-1364	27	36	[	[	X
eurjchem-1364	27	37	19,20	19,20	X
eurjchem-1364	27	38	]	]	PUNCT
eurjchem-1364	27	39	.	.	PUNCT
eurjchem-1364	28	1	in	in	ADP
eurjchem-1364	28	2	the	the	DET
eurjchem-1364	28	3	present	present	ADJ
eurjchem-1364	28	4	paper	paper	NOUN
eurjchem-1364	28	5	,	,	PUNCT
eurjchem-1364	28	6	we	we	PRON
eurjchem-1364	28	7	describe	describe	VERB
eurjchem-1364	28	8	such	such	DET
eurjchem-1364	28	9	a	a	DET
eurjchem-1364	28	10	study	study	NOUN
eurjchem-1364	28	11	for	for	ADP
eurjchem-1364	28	12	the	the	DET
eurjchem-1364	28	13	bond	bond	NOUN
eurjchem-1364	28	14	degradation	degradation	NOUN
eurjchem-1364	28	15	reactions	reaction	NOUN
eurjchem-1364	28	16	in	in	ADP
eurjchem-1364	28	17	the	the	DET
eurjchem-1364	28	18	pah	pah	PROPN
eurjchem-1364	28	19	molecules	molecule	NOUN
eurjchem-1364	28	20	,	,	PUNCT
eurjchem-1364	28	21	anthracene	anthracene	NOUN
eurjchem-1364	28	22	and	and	CCONJ
eurjchem-1364	28	23	phenanthrene	phenanthrene	NOUN
eurjchem-1364	28	24	(	(	PUNCT
eurjchem-1364	28	25	scheme	scheme	NOUN
eurjchem-1364	28	26	1	1	NUM
eurjchem-1364	28	27	)	)	PUNCT
eurjchem-1364	28	28	.	.	PUNCT
eurjchem-1364	29	1	shanshal	shanshal	PROPN
eurjchem-1364	29	2	et	et	PROPN
eurjchem-1364	29	3	al	al	PROPN
eurjchem-1364	29	4	.	.	PUNCT
eurjchem-1364	29	5	/	/	SYM
eurjchem-1364	29	6	european	european	PROPN
eurjchem-1364	29	7	journal	journal	PROPN
eurjchem-1364	29	8	of	of	ADP
eurjchem-1364	29	9	chemistry	chemistry	NOUN
eurjchem-1364	29	10	7	7	NUM
eurjchem-1364	29	11	(	(	PUNCT
eurjchem-1364	29	12	2	2	NUM
eurjchem-1364	29	13	)	)	PUNCT
eurjchem-1364	29	14	(	(	PUNCT
eurjchem-1364	29	15	2016	2016	NUM
eurjchem-1364	29	16	)	)	PUNCT
eurjchem-1364	29	17	166‐175	166‐175	PROPN
eurjchem-1364	29	18	167	167	NUM
eurjchem-1364	29	19	anthracene	anthracene	ADJ
eurjchem-1364	29	20	phenanthrene	phenanthrene	NOUN
eurjchem-1364	29	21	scheme	scheme	NOUN
eurjchem-1364	29	22	1	1	NUM
eurjchem-1364	29	23	figure	figure	NOUN
eurjchem-1364	29	24	1	1	NUM
eurjchem-1364	29	25	.	.	PUNCT
eurjchem-1364	29	26	calculated	calculate	VERB
eurjchem-1364	29	27	reaction	reaction	NOUN
eurjchem-1364	29	28	path	path	NOUN
eurjchem-1364	29	29	for	for	ADP
eurjchem-1364	29	30	the	the	DET
eurjchem-1364	29	31	c1‐c2	c1‐c2	NOUN
eurjchem-1364	29	32	bond	bond	NOUN
eurjchem-1364	29	33	cleavage	cleavage	NOUN
eurjchem-1364	29	34	in	in	ADP
eurjchem-1364	29	35	phenanthrene	phenanthrene	NOUN
eurjchem-1364	29	36	;	;	PUNCT
eurjchem-1364	29	37	ea	ea	X
eurjchem-1364	29	38	=	=	SYM
eurjchem-1364	29	39	202.341	202.341	NUM
eurjchem-1364	29	40	kcal	kcal	NOUN
eurjchem-1364	29	41	/	/	SYM
eurjchem-1364	29	42	mol	mol	PROPN
eurjchem-1364	29	43	,	,	PUNCT
eurjchem-1364	29	44	er	er	INTJ
eurjchem-1364	29	45	singlet	singlet	NOUN
eurjchem-1364	29	46	=	=	SYM
eurjchem-1364	29	47	79.393	79.393	NUM
eurjchem-1364	29	48	kcal	kcal	NOUN
eurjchem-1364	29	49	/	/	SYM
eurjchem-1364	29	50	mol	mol	PROPN
eurjchem-1364	29	51	,	,	PUNCT
eurjchem-1364	29	52	er	er	INTJ
eurjchem-1364	29	53	triplet	triplet	NOUN
eurjchem-1364	29	54	=	=	SYM
eurjchem-1364	29	55	155.974	155.974	NUM
eurjchem-1364	29	56	kcal	kcal	NOUN
eurjchem-1364	29	57	/	/	SYM
eurjchem-1364	29	58	mol	mol	PROPN
eurjchem-1364	29	59	.	.	PROPN
eurjchem-1364	30	1	2	2	NUM
eurjchem-1364	30	2	.	.	X
eurjchem-1364	30	3	experimental	experimental	ADJ
eurjchem-1364	30	4	to	to	PART
eurjchem-1364	30	5	study	study	VERB
eurjchem-1364	30	6	the	the	DET
eurjchem-1364	30	7	c‐c	c‐c	PROPN
eurjchem-1364	30	8	or	or	CCONJ
eurjchem-1364	30	9	c‐h	c‐h	PROPN
eurjchem-1364	30	10	bond	bond	NOUN
eurjchem-1364	30	11	cleavage	cleavage	NOUN
eurjchem-1364	30	12	reaction	reaction	NOUN
eurjchem-1364	30	13	,	,	PUNCT
eurjchem-1364	30	14	the	the	DET
eurjchem-1364	30	15	corresponding	corresponding	ADJ
eurjchem-1364	30	16	reaction	reaction	NOUN
eurjchem-1364	30	17	path	path	NOUN
eurjchem-1364	30	18	had	have	VERB
eurjchem-1364	30	19	to	to	PART
eurjchem-1364	30	20	be	be	AUX
eurjchem-1364	30	21	described	describe	VERB
eurjchem-1364	30	22	accurately	accurately	ADV
eurjchem-1364	30	23	,	,	PUNCT
eurjchem-1364	30	24	such	such	ADJ
eurjchem-1364	30	25	that	that	SCONJ
eurjchem-1364	30	26	the	the	DET
eurjchem-1364	30	27	energy	energy	NOUN
eurjchem-1364	30	28	of	of	ADP
eurjchem-1364	30	29	the	the	DET
eurjchem-1364	30	30	reacting	react	VERB
eurjchem-1364	30	31	molecule	molecule	NOUN
eurjchem-1364	30	32	is	be	AUX
eurjchem-1364	30	33	calculated	calculate	VERB
eurjchem-1364	30	34	for	for	ADP
eurjchem-1364	30	35	the	the	DET
eurjchem-1364	30	36	different	different	ADJ
eurjchem-1364	30	37	values	value	NOUN
eurjchem-1364	30	38	of	of	ADP
eurjchem-1364	30	39	the	the	DET
eurjchem-1364	30	40	corresponding	correspond	VERB
eurjchem-1364	30	41	bond	bond	NOUN
eurjchem-1364	30	42	length	length	NOUN
eurjchem-1364	30	43	(	(	PUNCT
eurjchem-1364	30	44	reaction	reaction	NOUN
eurjchem-1364	30	45	coordinate	coordinate	NOUN
eurjchem-1364	30	46	)	)	PUNCT
eurjchem-1364	30	47	.	.	PUNCT
eurjchem-1364	31	1	in	in	ADP
eurjchem-1364	31	2	the	the	DET
eurjchem-1364	31	3	present	present	ADJ
eurjchem-1364	31	4	work	work	NOUN
eurjchem-1364	31	5	,	,	PUNCT
eurjchem-1364	31	6	the	the	DET
eurjchem-1364	31	7	energy	energy	NOUN
eurjchem-1364	31	8	calculations	calculation	NOUN
eurjchem-1364	31	9	were	be	AUX
eurjchem-1364	31	10	done	do	VERB
eurjchem-1364	31	11	for	for	ADP
eurjchem-1364	31	12	the	the	DET
eurjchem-1364	31	13	singlet	singlet	NOUN
eurjchem-1364	31	14	and	and	CCONJ
eurjchem-1364	31	15	triplet	triplet	NOUN
eurjchem-1364	31	16	electron	electron	NOUN
eurjchem-1364	31	17	configurations	configuration	NOUN
eurjchem-1364	31	18	for	for	ADP
eurjchem-1364	31	19	all	all	DET
eurjchem-1364	31	20	the	the	DET
eurjchem-1364	31	21	points	point	NOUN
eurjchem-1364	31	22	along	along	ADP
eurjchem-1364	31	23	the	the	DET
eurjchem-1364	31	24	reaction	reaction	NOUN
eurjchem-1364	31	25	path	path	NOUN
eurjchem-1364	31	26	.	.	PUNCT
eurjchem-1364	32	1	the	the	DET
eurjchem-1364	32	2	configuration	configuration	NOUN
eurjchem-1364	32	3	with	with	ADP
eurjchem-1364	32	4	the	the	DET
eurjchem-1364	32	5	lower	low	ADJ
eurjchem-1364	32	6	energy	energy	NOUN
eurjchem-1364	32	7	was	be	AUX
eurjchem-1364	32	8	accepted	accept	VERB
eurjchem-1364	32	9	then	then	ADV
eurjchem-1364	32	10	for	for	ADP
eurjchem-1364	32	11	the	the	DET
eurjchem-1364	32	12	description	description	NOUN
eurjchem-1364	32	13	of	of	ADP
eurjchem-1364	32	14	the	the	DET
eurjchem-1364	32	15	path	path	NOUN
eurjchem-1364	32	16	.	.	PUNCT
eurjchem-1364	33	1	for	for	ADP
eurjchem-1364	33	2	each	each	DET
eurjchem-1364	33	3	point	point	NOUN
eurjchem-1364	33	4	along	along	ADP
eurjchem-1364	33	5	the	the	DET
eurjchem-1364	33	6	reaction	reaction	NOUN
eurjchem-1364	33	7	path	path	NOUN
eurjchem-1364	33	8	,	,	PUNCT
eurjchem-1364	33	9	the	the	DET
eurjchem-1364	33	10	corresponding	corresponding	ADJ
eurjchem-1364	33	11	value	value	NOUN
eurjchem-1364	33	12	of	of	ADP
eurjchem-1364	33	13	the	the	DET
eurjchem-1364	33	14	reaction	reaction	NOUN
eurjchem-1364	33	15	coordinate	coordinate	NOUN
eurjchem-1364	33	16	(	(	PUNCT
eurjchem-1364	33	17	bond	bond	NOUN
eurjchem-1364	33	18	length	length	NOUN
eurjchem-1364	33	19	)	)	PUNCT
eurjchem-1364	33	20	was	be	AUX
eurjchem-1364	33	21	kept	keep	VERB
eurjchem-1364	33	22	constant	constant	ADJ
eurjchem-1364	33	23	and	and	CCONJ
eurjchem-1364	33	24	the	the	DET
eurjchem-1364	33	25	remaining	remain	VERB
eurjchem-1364	33	26	(	(	PUNCT
eurjchem-1364	33	27	3n‐5	3n‐5	NUM
eurjchem-1364	33	28	)	)	PUNCT
eurjchem-1364	33	29	coordi‐	coordi‐	PRON
eurjchem-1364	33	30	nates	nate	NOUN
eurjchem-1364	33	31	were	be	AUX
eurjchem-1364	33	32	varied	varied	ADJ
eurjchem-1364	33	33	to	to	PART
eurjchem-1364	33	34	obtain	obtain	VERB
eurjchem-1364	33	35	the	the	DET
eurjchem-1364	33	36	minimum	minimum	NOUN
eurjchem-1364	33	37	of	of	ADP
eurjchem-1364	33	38	the	the	DET
eurjchem-1364	33	39	molecular	molecular	ADJ
eurjchem-1364	33	40	energy	energy	NOUN
eurjchem-1364	33	41	.	.	PUNCT
eurjchem-1364	34	1	as	as	SCONJ
eurjchem-1364	34	2	then	then	ADV
eurjchem-1364	34	3	the	the	DET
eurjchem-1364	34	4	obtained	obtain	VERB
eurjchem-1364	34	5	energy	energy	NOUN
eurjchem-1364	34	6	values	value	NOUN
eurjchem-1364	34	7	were	be	AUX
eurjchem-1364	34	8	plotted	plot	VERB
eurjchem-1364	34	9	against	against	ADP
eurjchem-1364	34	10	the	the	DET
eurjchem-1364	34	11	corresponding	correspond	VERB
eurjchem-1364	34	12	lengths	length	NOUN
eurjchem-1364	34	13	of	of	ADP
eurjchem-1364	34	14	the	the	DET
eurjchem-1364	34	15	reaction	reaction	NOUN
eurjchem-1364	34	16	coordinate	coordinate	NOUN
eurjchem-1364	34	17	to	to	PART
eurjchem-1364	34	18	yield	yield	VERB
eurjchem-1364	34	19	the	the	DET
eurjchem-1364	34	20	required	require	VERB
eurjchem-1364	34	21	reaction	reaction	NOUN
eurjchem-1364	34	22	path	path	NOUN
eurjchem-1364	34	23	.	.	PUNCT
eurjchem-1364	35	1	as	as	SCONJ
eurjchem-1364	35	2	commonly	commonly	ADV
eurjchem-1364	35	3	known	know	VERB
eurjchem-1364	35	4	,	,	PUNCT
eurjchem-1364	35	5	knowledge	knowledge	NOUN
eurjchem-1364	35	6	of	of	ADP
eurjchem-1364	35	7	the	the	DET
eurjchem-1364	35	8	reaction	reaction	NOUN
eurjchem-1364	35	9	path	path	NOUN
eurjchem-1364	35	10	enables	enable	VERB
eurjchem-1364	35	11	the	the	DET
eurjchem-1364	35	12	evaluation	evaluation	NOUN
eurjchem-1364	35	13	of	of	ADP
eurjchem-1364	35	14	energies	energy	NOUN
eurjchem-1364	35	15	and	and	CCONJ
eurjchem-1364	35	16	geometric	geometric	ADJ
eurjchem-1364	35	17	parameters	parameter	NOUN
eurjchem-1364	35	18	of	of	ADP
eurjchem-1364	35	19	the	the	DET
eurjchem-1364	35	20	reaction	reaction	NOUN
eurjchem-1364	35	21	transition	transition	NOUN
eurjchem-1364	35	22	state	state	NOUN
eurjchem-1364	35	23	and	and	CCONJ
eurjchem-1364	35	24	reaction	reaction	NOUN
eurjchem-1364	35	25	products	product	NOUN
eurjchem-1364	35	26	.	.	PUNCT
eurjchem-1364	36	1	in	in	ADP
eurjchem-1364	36	2	the	the	DET
eurjchem-1364	36	3	present	present	ADJ
eurjchem-1364	36	4	work	work	NOUN
eurjchem-1364	36	5	,	,	PUNCT
eurjchem-1364	36	6	the	the	DET
eurjchem-1364	36	7	energy	energy	NOUN
eurjchem-1364	36	8	calculations	calculation	NOUN
eurjchem-1364	36	9	were	be	AUX
eurjchem-1364	36	10	carried	carry	VERB
eurjchem-1364	36	11	out	out	ADP
eurjchem-1364	36	12	applying	apply	VERB
eurjchem-1364	36	13	the	the	DET
eurjchem-1364	36	14	ab‐initio	ab‐initio	NOUN
eurjchem-1364	36	15	density	density	NOUN
eurjchem-1364	36	16	functional	functional	ADJ
eurjchem-1364	36	17	theory	theory	NOUN
eurjchem-1364	36	18	method	method	NOUN
eurjchem-1364	36	19	[	[	X
eurjchem-1364	36	20	21‐23	21‐23	X
eurjchem-1364	36	21	]	]	PUNCT
eurjchem-1364	36	22	of	of	ADP
eurjchem-1364	36	23	the	the	DET
eurjchem-1364	36	24	b3lyp	b3lyp	PROPN
eurjchem-1364	36	25	type	type	NOUN
eurjchem-1364	37	1	[	[	X
eurjchem-1364	37	2	24,25	24,25	NUM
eurjchem-1364	37	3	]	]	PUNCT
eurjchem-1364	37	4	as	as	SCONJ
eurjchem-1364	37	5	programmed	program	VERB
eurjchem-1364	37	6	within	within	ADP
eurjchem-1364	37	7	the	the	DET
eurjchem-1364	37	8	gaussian03	gaussian03	NOUN
eurjchem-1364	37	9	program	program	NOUN
eurjchem-1364	37	10	system	system	NOUN
eurjchem-1364	37	11	of	of	ADP
eurjchem-1364	37	12	pople	pople	PROPN
eurjchem-1364	37	13	et	et	PROPN
eurjchem-1364	37	14	al	al	PROPN
eurjchem-1364	37	15	.	.	PUNCT
eurjchem-1364	38	1	[	[	X
eurjchem-1364	38	2	26	26	NUM
eurjchem-1364	38	3	]	]	PUNCT
eurjchem-1364	38	4	.	.	PUNCT
eurjchem-1364	39	1	as	as	ADP
eurjchem-1364	39	2	for	for	ADP
eurjchem-1364	39	3	the	the	DET
eurjchem-1364	39	4	basis	basis	NOUN
eurjchem-1364	39	5	functions	function	NOUN
eurjchem-1364	39	6	the	the	DET
eurjchem-1364	39	7	6‐311	6‐311	NOUN
eurjchem-1364	39	8	g	g	NOUN
eurjchem-1364	39	9	set	set	NOUN
eurjchem-1364	39	10	was	be	AUX
eurjchem-1364	39	11	applied	apply	VERB
eurjchem-1364	39	12	.	.	PUNCT
eurjchem-1364	40	1	for	for	ADP
eurjchem-1364	40	2	the	the	DET
eurjchem-1364	40	3	discussion	discussion	NOUN
eurjchem-1364	40	4	of	of	ADP
eurjchem-1364	40	5	the	the	DET
eurjchem-1364	40	6	corresponding	corresponding	ADJ
eurjchem-1364	40	7	geometries	geometry	NOUN
eurjchem-1364	40	8	the	the	DET
eurjchem-1364	40	9	molek9000	molek9000	PROPN
eurjchem-1364	40	10	program	program	NOUN
eurjchem-1364	40	11	of	of	ADP
eurjchem-1364	40	12	p.	p.	PROPN
eurjchem-1364	40	13	bischof	bischof	NOUN
eurjchem-1364	40	14	,	,	PUNCT
eurjchem-1364	40	15	heidelberg	heidelberg	PROPN
eurjchem-1364	40	16	was	be	AUX
eurjchem-1364	40	17	used	use	VERB
eurjchem-1364	40	18	[	[	PUNCT
eurjchem-1364	40	19	27	27	NUM
eurjchem-1364	40	20	]	]	PUNCT
eurjchem-1364	40	21	.	.	PUNCT
eurjchem-1364	41	1	3	3	X
eurjchem-1364	41	2	.	.	NOUN
eurjchem-1364	41	3	results	result	NOUN
eurjchem-1364	41	4	and	and	CCONJ
eurjchem-1364	41	5	discussion	discussion	NOUN
eurjchem-1364	41	6	3.1	3.1	NUM
eurjchem-1364	41	7	.	.	PUNCT
eurjchem-1364	42	1	the	the	DET
eurjchem-1364	42	2	c‐c	c‐c	PROPN
eurjchem-1364	42	3	bond	bond	NOUN
eurjchem-1364	42	4	cleavage	cleavage	NOUN
eurjchem-1364	42	5	reactions	reaction	NOUN
eurjchem-1364	42	6	3.1.1	3.1.1	NUM
eurjchem-1364	42	7	.	.	PUNCT
eurjchem-1364	43	1	phenanthrene	phenanthrene	NOUN
eurjchem-1364	43	2	due	due	ADP
eurjchem-1364	43	3	to	to	ADP
eurjchem-1364	43	4	the	the	DET
eurjchem-1364	43	5	c2v	c2v	NOUN
eurjchem-1364	43	6	symmetric	symmetric	ADJ
eurjchem-1364	43	7	structure	structure	NOUN
eurjchem-1364	43	8	of	of	ADP
eurjchem-1364	43	9	the	the	DET
eurjchem-1364	43	10	phenanthrene	phenanthrene	NOUN
eurjchem-1364	43	11	molecule	molecule	NOUN
eurjchem-1364	43	12	,	,	PUNCT
eurjchem-1364	43	13	the	the	DET
eurjchem-1364	43	14	number	number	NOUN
eurjchem-1364	43	15	of	of	ADP
eurjchem-1364	43	16	c‐c	c‐c	PROPN
eurjchem-1364	43	17	bonds	bond	NOUN
eurjchem-1364	43	18	to	to	PART
eurjchem-1364	43	19	be	be	AUX
eurjchem-1364	43	20	studied	study	VERB
eurjchem-1364	43	21	is	be	AUX
eurjchem-1364	43	22	reduced	reduce	VERB
eurjchem-1364	43	23	to	to	ADP
eurjchem-1364	43	24	nine	nine	NUM
eurjchem-1364	43	25	.	.	PUNCT
eurjchem-1364	44	1	3.1.1.1	3.1.1.1	NUM
eurjchem-1364	44	2	.	.	PUNCT
eurjchem-1364	44	3	c1‐c2	c1‐c2	PROPN
eurjchem-1364	44	4	bond	bond	NOUN
eurjchem-1364	44	5	cleavage	cleavage	NOUN
eurjchem-1364	44	6	according	accord	VERB
eurjchem-1364	44	7	to	to	ADP
eurjchem-1364	44	8	the	the	DET
eurjchem-1364	44	9	calculated	calculated	ADJ
eurjchem-1364	44	10	reaction	reaction	NOUN
eurjchem-1364	44	11	path	path	NOUN
eurjchem-1364	44	12	,	,	PUNCT
eurjchem-1364	44	13	figure	figure	NOUN
eurjchem-1364	44	14	1	1	NUM
eurjchem-1364	44	15	,	,	PUNCT
eurjchem-1364	44	16	the	the	DET
eurjchem-1364	44	17	cleavage	cleavage	NOUN
eurjchem-1364	44	18	of	of	ADP
eurjchem-1364	44	19	this	this	DET
eurjchem-1364	44	20	bond	bond	NOUN
eurjchem-1364	44	21	proceeds	proceed	VERB
eurjchem-1364	44	22	through	through	ADP
eurjchem-1364	44	23	an	an	DET
eurjchem-1364	44	24	aromatic	aromatic	ADJ
eurjchem-1364	44	25	transition	transition	NOUN
eurjchem-1364	44	26	state	state	NOUN
eurjchem-1364	44	27	leading	lead	VERB
eurjchem-1364	44	28	to	to	ADP
eurjchem-1364	44	29	a	a	DET
eurjchem-1364	44	30	singlet	singlet	ADJ
eurjchem-1364	44	31	electron	electron	NOUN
eurjchem-1364	44	32	configured	configure	VERB
eurjchem-1364	44	33	reaction	reaction	NOUN
eurjchem-1364	44	34	product	product	NOUN
eurjchem-1364	44	35	that	that	PRON
eurjchem-1364	44	36	is	be	AUX
eurjchem-1364	44	37	more	more	ADV
eurjchem-1364	44	38	stable	stable	ADJ
eurjchem-1364	44	39	than	than	ADP
eurjchem-1364	44	40	the	the	DET
eurjchem-1364	44	41	corresponding	corresponding	ADJ
eurjchem-1364	44	42	triplet	triplet	NOUN
eurjchem-1364	44	43	reaction	reaction	NOUN
eurjchem-1364	44	44	product	product	NOUN
eurjchem-1364	44	45	too	too	ADV
eurjchem-1364	44	46	.	.	PUNCT
eurjchem-1364	45	1	the	the	DET
eurjchem-1364	45	2	singlet	singlet	NOUN
eurjchem-1364	45	3	configured	configure	VERB
eurjchem-1364	45	4	transition	transition	NOUN
eurjchem-1364	45	5	state	state	NOUN
eurjchem-1364	45	6	is	be	AUX
eurjchem-1364	45	7	associated	associate	VERB
eurjchem-1364	45	8	with	with	ADP
eurjchem-1364	45	9	a	a	DET
eurjchem-1364	45	10	high	high	ADJ
eurjchem-1364	45	11	activation	activation	NOUN
eurjchem-1364	45	12	energy	energy	NOUN
eurjchem-1364	45	13	value	value	NOUN
eurjchem-1364	45	14	of	of	ADP
eurjchem-1364	45	15	202.341	202.341	NUM
eurjchem-1364	45	16	kcal	kcal	NOUN
eurjchem-1364	45	17	/	/	SYM
eurjchem-1364	45	18	mol	mol	PROPN
eurjchem-1364	45	19	.	.	PUNCT
eurjchem-1364	46	1	it	it	PRON
eurjchem-1364	46	2	exhibits	exhibit	VERB
eurjchem-1364	46	3	a	a	DET
eurjchem-1364	46	4	distorted	distorted	ADJ
eurjchem-1364	46	5	conformation	conformation	NOUN
eurjchem-1364	46	6	,	,	PUNCT
eurjchem-1364	46	7	in	in	ADP
eurjchem-1364	46	8	which	which	PRON
eurjchem-1364	46	9	the	the	DET
eurjchem-1364	46	10	c1h1	c1h1	NOUN
eurjchem-1364	46	11	and	and	CCONJ
eurjchem-1364	46	12	c3h3c2h2	c3h3c2h2	PROPN
eurjchem-1364	46	13	fragments	fragment	NOUN
eurjchem-1364	46	14	are	be	AUX
eurjchem-1364	46	15	tilted	tilt	VERB
eurjchem-1364	46	16	out	out	ADP
eurjchem-1364	46	17	of	of	ADP
eurjchem-1364	46	18	the	the	DET
eurjchem-1364	46	19	plane	plane	NOUN
eurjchem-1364	46	20	of	of	ADP
eurjchem-1364	46	21	the	the	DET
eurjchem-1364	46	22	remaining	remain	VERB
eurjchem-1364	46	23	2	2	NUM
eurjchem-1364	46	24	ring	ring	NOUN
eurjchem-1364	46	25	fragment	fragment	NOUN
eurjchem-1364	46	26	of	of	ADP
eurjchem-1364	46	27	the	the	DET
eurjchem-1364	46	28	molecule	molecule	NOUN
eurjchem-1364	46	29	.	.	PUNCT
eurjchem-1364	47	1	the	the	DET
eurjchem-1364	47	2	disrotatoric	disrotatoric	ADJ
eurjchem-1364	47	3	ring	ring	NOUN
eurjchem-1364	47	4	opening	opening	NOUN
eurjchem-1364	47	5	leads	lead	VERB
eurjchem-1364	47	6	to	to	ADP
eurjchem-1364	47	7	an	an	DET
eurjchem-1364	47	8	aromatic	aromatic	ADJ
eurjchem-1364	47	9	transition	transition	NOUN
eurjchem-1364	47	10	state	state	NOUN
eurjchem-1364	47	11	.	.	PUNCT
eurjchem-1364	48	1	figure	figure	NOUN
eurjchem-1364	48	2	2	2	NUM
eurjchem-1364	48	3	shows	show	VERB
eurjchem-1364	48	4	that	that	SCONJ
eurjchem-1364	48	5	the	the	DET
eurjchem-1364	48	6	transition	transition	NOUN
eurjchem-1364	48	7	state	state	NOUN
eurjchem-1364	48	8	under‐	under‐	NOUN
eurjchem-1364	48	9	goes	go	VERB
eurjchem-1364	48	10	a	a	DET
eurjchem-1364	48	11	suprafacial	suprafacial	ADJ
eurjchem-1364	48	12	h3	h3	NOUN
eurjchem-1364	48	13	atom	atom	NOUN
eurjchem-1364	48	14	shift	shift	NOUN
eurjchem-1364	48	15	from	from	ADP
eurjchem-1364	48	16	c3	c3	PROPN
eurjchem-1364	48	17	to	to	ADP
eurjchem-1364	48	18	c1	c1	PROPN
eurjchem-1364	48	19	forming	form	VERB
eurjchem-1364	48	20	a	a	DET
eurjchem-1364	48	21	c1h2	c1h2	NOUN
eurjchem-1364	48	22	group	group	NOUN
eurjchem-1364	48	23	and	and	CCONJ
eurjchem-1364	48	24	an	an	DET
eurjchem-1364	48	25	acetylene	acetylene	NOUN
eurjchem-1364	48	26	c2‐c3	c2‐c3	VERB
eurjchem-1364	48	27	bond	bond	NOUN
eurjchem-1364	48	28	(	(	PUNCT
eurjchem-1364	48	29	d	d	NOUN
eurjchem-1364	48	30	=	=	SYM
eurjchem-1364	48	31	1.217	1.217	NUM
eurjchem-1364	48	32	å	å	NOUN
eurjchem-1364	48	33	)	)	PUNCT
eurjchem-1364	48	34	.	.	PUNCT
eurjchem-1364	49	1	no	no	DET
eurjchem-1364	49	2	such	such	ADJ
eurjchem-1364	49	3	h	h	NOUN
eurjchem-1364	49	4	atom	atom	NOUN
eurjchem-1364	49	5	shift	shift	NOUN
eurjchem-1364	49	6	was	be	AUX
eurjchem-1364	49	7	predicted	predict	VERB
eurjchem-1364	49	8	for	for	ADP
eurjchem-1364	49	9	the	the	DET
eurjchem-1364	49	10	triplet	triplet	NOUN
eurjchem-1364	49	11	reaction	reaction	NOUN
eurjchem-1364	49	12	product	product	NOUN
eurjchem-1364	49	13	.	.	PUNCT
eurjchem-1364	49	14	  	  	SPACE
eurjchem-1364	50	1	3.1.1.2	3.1.1.2	NUM
eurjchem-1364	50	2	.	.	PUNCT
eurjchem-1364	51	1	c1‐c10a	c1‐c10a	NOUN
eurjchem-1364	51	2	bond	bond	NOUN
eurjchem-1364	51	3	cleavage	cleavage	NOUN
eurjchem-1364	51	4	the	the	DET
eurjchem-1364	51	5	geometry	geometry	NOUN
eurjchem-1364	51	6	of	of	ADP
eurjchem-1364	51	7	this	this	DET
eurjchem-1364	51	8	reaction	reaction	NOUN
eurjchem-1364	51	9	’s	’s	PART
eurjchem-1364	51	10	transition	transition	NOUN
eurjchem-1364	51	11	state	state	NOUN
eurjchem-1364	51	12	is	be	AUX
eurjchem-1364	51	13	depicted	depict	VERB
eurjchem-1364	51	14	by	by	ADP
eurjchem-1364	51	15	the	the	DET
eurjchem-1364	51	16	rotation	rotation	NOUN
eurjchem-1364	51	17	of	of	ADP
eurjchem-1364	51	18	the	the	DET
eurjchem-1364	51	19	c1h1c2h2	c1h1c2h2	PROPN
eurjchem-1364	51	20	group	group	NOUN
eurjchem-1364	51	21	out	out	ADP
eurjchem-1364	51	22	of	of	ADP
eurjchem-1364	51	23	the	the	DET
eurjchem-1364	51	24	plane	plane	NOUN
eurjchem-1364	51	25	of	of	ADP
eurjchem-1364	51	26	the	the	DET
eurjchem-1364	51	27	remaining	remain	VERB
eurjchem-1364	51	28	aromatic	aromatic	ADJ
eurjchem-1364	51	29	moiety	moiety	NOUN
eurjchem-1364	51	30	.	.	PUNCT
eurjchem-1364	52	1	further	further	ADJ
eurjchem-1364	52	2	rotation	rotation	NOUN
eurjchem-1364	52	3	of	of	ADP
eurjchem-1364	52	4	the	the	DET
eurjchem-1364	52	5	same	same	ADJ
eurjchem-1364	52	6	group	group	NOUN
eurjchem-1364	52	7	leads	lead	VERB
eurjchem-1364	52	8	to	to	ADP
eurjchem-1364	52	9	the	the	DET
eurjchem-1364	52	10	formation	formation	NOUN
eurjchem-1364	52	11	of	of	ADP
eurjchem-1364	52	12	the	the	DET
eurjchem-1364	52	13	singlet	singlet	ADJ
eurjchem-1364	52	14	reaction	reaction	NOUN
eurjchem-1364	52	15	product	product	NOUN
eurjchem-1364	52	16	.	.	PUNCT
eurjchem-1364	53	1	no	no	DET
eurjchem-1364	53	2	such	such	ADJ
eurjchem-1364	53	3	rotation	rotation	NOUN
eurjchem-1364	53	4	is	be	AUX
eurjchem-1364	53	5	calculated	calculate	VERB
eurjchem-1364	53	6	for	for	ADP
eurjchem-1364	53	7	the	the	DET
eurjchem-1364	53	8	triplet	triplet	NOUN
eurjchem-1364	53	9	product	product	NOUN
eurjchem-1364	53	10	,	,	PUNCT
eurjchem-1364	53	11	i.e.	i.e.	X
eurjchem-1364	53	12	it	it	PRON
eurjchem-1364	53	13	shows	show	VERB
eurjchem-1364	53	14	a	a	DET
eurjchem-1364	53	15	similar	similar	ADJ
eurjchem-1364	53	16	conformation	conformation	NOUN
eurjchem-1364	53	17	to	to	ADP
eurjchem-1364	53	18	that	that	PRON
eurjchem-1364	53	19	of	of	ADP
eurjchem-1364	53	20	the	the	DET
eurjchem-1364	53	21	transition	transition	NOUN
eurjchem-1364	53	22	state	state	NOUN
eurjchem-1364	53	23	,	,	PUNCT
eurjchem-1364	53	24	figures	figure	NOUN
eurjchem-1364	53	25	3	3	NUM
eurjchem-1364	53	26	and	and	CCONJ
eurjchem-1364	53	27	4	4	NUM
eurjchem-1364	53	28	.	.	X
eurjchem-1364	54	1	3.1.1.3	3.1.1.3	NUM
eurjchem-1364	54	2	.	.	PUNCT
eurjchem-1364	54	3	c2‐c3	c2‐c3	VERB
eurjchem-1364	54	4	bond	bond	NOUN
eurjchem-1364	54	5	cleavage	cleavage	NOUN
eurjchem-1364	54	6	according	accord	VERB
eurjchem-1364	54	7	to	to	ADP
eurjchem-1364	54	8	the	the	DET
eurjchem-1364	54	9	present	present	ADJ
eurjchem-1364	54	10	treatment	treatment	NOUN
eurjchem-1364	54	11	,	,	PUNCT
eurjchem-1364	54	12	this	this	DET
eurjchem-1364	54	13	reaction	reaction	NOUN
eurjchem-1364	54	14	proceeds	proceed	VERB
eurjchem-1364	54	15	via	via	ADP
eurjchem-1364	54	16	singlet	singlet	ADJ
eurjchem-1364	54	17	transition	transition	NOUN
eurjchem-1364	54	18	state	state	NOUN
eurjchem-1364	54	19	,	,	PUNCT
eurjchem-1364	54	20	figure	figure	NOUN
eurjchem-1364	54	21	5	5	NUM
eurjchem-1364	54	22	,	,	PUNCT
eurjchem-1364	54	23	with	with	ADP
eurjchem-1364	54	24	an	an	DET
eurjchem-1364	54	25	activation	activation	NOUN
eurjchem-1364	54	26	energy	energy	NOUN
eurjchem-1364	54	27	of	of	ADP
eurjchem-1364	54	28	182.369	182.369	NUM
eurjchem-1364	54	29	kcal	kcal	PROPN
eurjchem-1364	54	30	/	/	SYM
eurjchem-1364	54	31	mol	mol	PROPN
eurjchem-1364	54	32	.	.	PUNCT
eurjchem-1364	55	1	the	the	DET
eurjchem-1364	55	2	preferred	preferred	ADJ
eurjchem-1364	55	3	reaction	reaction	NOUN
eurjchem-1364	55	4	product	product	NOUN
eurjchem-1364	55	5	is	be	AUX
eurjchem-1364	55	6	of	of	ADP
eurjchem-1364	55	7	a	a	DET
eurjchem-1364	55	8	singlet	singlet	ADJ
eurjchem-1364	55	9	electron	electron	NOUN
eurjchem-1364	55	10	configuration	configuration	NOUN
eurjchem-1364	55	11	,	,	PUNCT
eurjchem-1364	55	12	too	too	ADV
eurjchem-1364	55	13	.	.	PUNCT
eurjchem-1364	56	1	the	the	DET
eurjchem-1364	56	2	calculated	calculate	VERB
eurjchem-1364	56	3	reaction	reaction	NOUN
eurjchem-1364	56	4	path	path	NOUN
eurjchem-1364	56	5	indicates	indicate	VERB
eurjchem-1364	56	6	2	2	NUM
eurjchem-1364	56	7	aromatic	aromatic	ADJ
eurjchem-1364	56	8	tran‐	tran‐	NUM
eurjchem-1364	56	9	sition	sition	NOUN
eurjchem-1364	56	10	state	state	NOUN
eurjchem-1364	56	11	processes	process	NOUN
eurjchem-1364	56	12	;	;	PUNCT
eurjchem-1364	56	13	a	a	X
eurjchem-1364	56	14	)	)	PUNCT
eurjchem-1364	56	15	a	a	DET
eurjchem-1364	56	16	disrotatoric	disrotatoric	ADJ
eurjchem-1364	56	17	ring	ring	NOUN
eurjchem-1364	56	18	opening	opening	NOUN
eurjchem-1364	56	19	repre‐	repre‐	NOUN
eurjchem-1364	56	20	sented	sente	VERB
eurjchem-1364	56	21	by	by	ADP
eurjchem-1364	56	22	the	the	DET
eurjchem-1364	56	23	c2‐c3	c2‐c3	NOUN
eurjchem-1364	56	24	bond	bond	NOUN
eurjchem-1364	56	25	cleavage	cleavage	NOUN
eurjchem-1364	56	26	and	and	CCONJ
eurjchem-1364	56	27	b	b	NOUN
eurjchem-1364	56	28	)	)	PUNCT
eurjchem-1364	56	29	a	a	DET
eurjchem-1364	56	30	suprafacial	suprafacial	ADJ
eurjchem-1364	56	31	h	h	NOUN
eurjchem-1364	56	32	atom	atom	NOUN
eurjchem-1364	56	33	shift	shift	NOUN
eurjchem-1364	56	34	from	from	ADP
eurjchem-1364	56	35	c2	c2	PROPN
eurjchem-1364	56	36	to	to	ADP
eurjchem-1364	56	37	c3	c3	PROPN
eurjchem-1364	56	38	atom	atom	PROPN
eurjchem-1364	56	39	,	,	PUNCT
eurjchem-1364	56	40	forming	form	VERB
eurjchem-1364	56	41	an	an	DET
eurjchem-1364	56	42	acetylenic	acetylenic	ADJ
eurjchem-1364	56	43	c2≡c1	c2≡c1	NOUN
eurjchem-1364	56	44	bond	bond	NOUN
eurjchem-1364	56	45	of	of	ADP
eurjchem-1364	56	46	a	a	DET
eurjchem-1364	56	47	length	length	NOUN
eurjchem-1364	56	48	1.208	1.208	NUM
eurjchem-1364	56	49	å	å	NOUN
eurjchem-1364	56	50	,	,	PUNCT
eurjchem-1364	56	51	figure	figure	NOUN
eurjchem-1364	56	52	6	6	NUM
eurjchem-1364	56	53	.	.	NOUN
eurjchem-1364	56	54	168	168	NUM
eurjchem-1364	56	55	shanshal	shanshal	NOUN
eurjchem-1364	56	56	et	et	PROPN
eurjchem-1364	56	57	al	al	PROPN
eurjchem-1364	56	58	.	.	PUNCT
eurjchem-1364	56	59	/	/	SYM
eurjchem-1364	56	60	european	european	PROPN
eurjchem-1364	56	61	journal	journal	PROPN
eurjchem-1364	56	62	of	of	ADP
eurjchem-1364	56	63	chemistry	chemistry	NOUN
eurjchem-1364	56	64	7	7	NUM
eurjchem-1364	56	65	(	(	PUNCT
eurjchem-1364	56	66	2	2	NUM
eurjchem-1364	56	67	)	)	PUNCT
eurjchem-1364	56	68	(	(	PUNCT
eurjchem-1364	56	69	2016	2016	NUM
eurjchem-1364	56	70	)	)	PUNCT
eurjchem-1364	56	71	166‐175	166‐175	NUM
eurjchem-1364	56	72	figure	figure	NOUN
eurjchem-1364	56	73	2	2	NUM
eurjchem-1364	56	74	.	.	PUNCT
eurjchem-1364	56	75	calculated	calculate	VERB
eurjchem-1364	56	76	structures	structure	NOUN
eurjchem-1364	56	77	of	of	ADP
eurjchem-1364	56	78	the	the	DET
eurjchem-1364	56	79	transition	transition	NOUN
eurjchem-1364	56	80	state	state	NOUN
eurjchem-1364	56	81	,	,	PUNCT
eurjchem-1364	56	82	the	the	DET
eurjchem-1364	56	83	single	single	ADJ
eurjchem-1364	56	84	and	and	CCONJ
eurjchem-1364	56	85	triplet	triplet	NOUN
eurjchem-1364	56	86	reaction	reaction	NOUN
eurjchem-1364	56	87	products	product	NOUN
eurjchem-1364	56	88	of	of	ADP
eurjchem-1364	56	89	the	the	DET
eurjchem-1364	56	90	c1‐c2	c1‐c2	NOUN
eurjchem-1364	56	91	bond	bond	NOUN
eurjchem-1364	56	92	cleavage	cleavage	NOUN
eurjchem-1364	56	93	in	in	ADP
eurjchem-1364	56	94	phenanthrene	phenanthrene	NOUN
eurjchem-1364	56	95	.	.	PUNCT
eurjchem-1364	57	1	figure	figure	NOUN
eurjchem-1364	57	2	3	3	NUM
eurjchem-1364	57	3	.	.	PUNCT
eurjchem-1364	57	4	calculated	calculate	VERB
eurjchem-1364	57	5	reaction	reaction	NOUN
eurjchem-1364	57	6	path	path	NOUN
eurjchem-1364	57	7	for	for	ADP
eurjchem-1364	57	8	the	the	DET
eurjchem-1364	57	9	c1‐c10a	c1‐c10a	NOUN
eurjchem-1364	57	10	bond	bond	NOUN
eurjchem-1364	57	11	cleavage	cleavage	NOUN
eurjchem-1364	57	12	reaction	reaction	NOUN
eurjchem-1364	57	13	in	in	ADP
eurjchem-1364	57	14	phenanthrene	phenanthrene	NOUN
eurjchem-1364	57	15	;	;	PUNCT
eurjchem-1364	57	16	ea	ea	X
eurjchem-1364	57	17	=	=	SYM
eurjchem-1364	57	18	181.061	181.061	NUM
eurjchem-1364	57	19	kcal	kcal	PROPN
eurjchem-1364	57	20	/	/	SYM
eurjchem-1364	57	21	mol	mol	PROPN
eurjchem-1364	57	22	,	,	PUNCT
eurjchem-1364	57	23	er	er	INTJ
eurjchem-1364	57	24	singlet	singlet	NOUN
eurjchem-1364	57	25	=	=	SYM
eurjchem-1364	57	26	136.156	136.156	NUM
eurjchem-1364	57	27	kcal	kcal	NOUN
eurjchem-1364	57	28	/	/	SYM
eurjchem-1364	57	29	mol	mol	PROPN
eurjchem-1364	57	30	,	,	PUNCT
eurjchem-1364	57	31	er	er	INTJ
eurjchem-1364	57	32	triplet	triplet	NOUN
eurjchem-1364	57	33	=	=	SYM
eurjchem-1364	57	34	143.008	143.008	NUM
eurjchem-1364	57	35	kcal	kcal	NOUN
eurjchem-1364	57	36	/	/	SYM
eurjchem-1364	57	37	mol	mol	PROPN
eurjchem-1364	57	38	.	.	PROPN
eurjchem-1364	57	39	figure	figure	NOUN
eurjchem-1364	57	40	4	4	NUM
eurjchem-1364	57	41	.	.	PUNCT
eurjchem-1364	57	42	calculated	calculate	VERB
eurjchem-1364	57	43	structures	structure	NOUN
eurjchem-1364	57	44	of	of	ADP
eurjchem-1364	57	45	the	the	DET
eurjchem-1364	57	46	transition	transition	NOUN
eurjchem-1364	57	47	stage	stage	NOUN
eurjchem-1364	57	48	,	,	PUNCT
eurjchem-1364	57	49	the	the	DET
eurjchem-1364	57	50	singlet	singlet	NOUN
eurjchem-1364	57	51	and	and	CCONJ
eurjchem-1364	57	52	triplet	triplet	NOUN
eurjchem-1364	57	53	reaction	reaction	NOUN
eurjchem-1364	57	54	products	product	NOUN
eurjchem-1364	57	55	of	of	ADP
eurjchem-1364	57	56	the	the	DET
eurjchem-1364	57	57	c1‐c10a	c1‐c10a	NOUN
eurjchem-1364	57	58	bond	bond	NOUN
eurjchem-1364	57	59	cleavage	cleavage	NOUN
eurjchem-1364	57	60	in	in	ADP
eurjchem-1364	57	61	phenanthrene	phenanthrene	NOUN
eurjchem-1364	57	62	.	.	PUNCT
eurjchem-1364	58	1	shanshal	shanshal	PROPN
eurjchem-1364	58	2	et	et	PROPN
eurjchem-1364	58	3	al	al	PROPN
eurjchem-1364	58	4	.	.	PUNCT
eurjchem-1364	58	5	/	/	SYM
eurjchem-1364	58	6	european	european	PROPN
eurjchem-1364	58	7	journal	journal	PROPN
eurjchem-1364	58	8	of	of	ADP
eurjchem-1364	58	9	chemistry	chemistry	NOUN
eurjchem-1364	58	10	7	7	NUM
eurjchem-1364	58	11	(	(	PUNCT
eurjchem-1364	58	12	2	2	NUM
eurjchem-1364	58	13	)	)	PUNCT
eurjchem-1364	58	14	(	(	PUNCT
eurjchem-1364	58	15	2016	2016	NUM
eurjchem-1364	58	16	)	)	PUNCT
eurjchem-1364	59	1	166‐175	166‐175	NOUN
eurjchem-1364	59	2	169	169	NUM
eurjchem-1364	59	3	figure	figure	NOUN
eurjchem-1364	59	4	5	5	NUM
eurjchem-1364	59	5	.	.	PUNCT
eurjchem-1364	59	6	calculated	calculate	VERB
eurjchem-1364	59	7	reaction	reaction	NOUN
eurjchem-1364	59	8	path	path	NOUN
eurjchem-1364	59	9	of	of	ADP
eurjchem-1364	59	10	the	the	DET
eurjchem-1364	59	11	c2‐c3	c2‐c3	NOUN
eurjchem-1364	59	12	bond	bond	NOUN
eurjchem-1364	59	13	cleavage	cleavage	NOUN
eurjchem-1364	59	14	in	in	ADP
eurjchem-1364	59	15	phenanthrene	phenanthrene	NOUN
eurjchem-1364	59	16	,	,	PUNCT
eurjchem-1364	59	17	ea	ea	X
eurjchem-1364	59	18	=	=	SYM
eurjchem-1364	59	19	182.369	182.369	NUM
eurjchem-1364	59	20	kcal	kcal	PROPN
eurjchem-1364	59	21	/	/	SYM
eurjchem-1364	59	22	mol	mol	PROPN
eurjchem-1364	59	23	,	,	PUNCT
eurjchem-1364	59	24	er	er	INTJ
eurjchem-1364	59	25	singlet	singlet	NOUN
eurjchem-1364	59	26	=	=	PUNCT
eurjchem-1364	59	27	64.239	64.239	NUM
eurjchem-1364	59	28	kcal	kcal	NOUN
eurjchem-1364	59	29	/	/	SYM
eurjchem-1364	59	30	mol	mol	PROPN
eurjchem-1364	59	31	and	and	CCONJ
eurjchem-1364	59	32	er	er	INTJ
eurjchem-1364	59	33	triplet	triplet	NOUN
eurjchem-1364	59	34	=	=	NOUN
eurjchem-1364	59	35	140.994	140.994	NUM
eurjchem-1364	59	36	kcal	kcal	NOUN
eurjchem-1364	59	37	/	/	SYM
eurjchem-1364	59	38	mol	mol	PROPN
eurjchem-1364	59	39	.	.	PROPN
eurjchem-1364	59	40	figure	figure	NOUN
eurjchem-1364	59	41	6	6	NUM
eurjchem-1364	59	42	.	.	PUNCT
eurjchem-1364	59	43	calculated	calculate	VERB
eurjchem-1364	59	44	structures	structure	NOUN
eurjchem-1364	59	45	of	of	ADP
eurjchem-1364	59	46	the	the	DET
eurjchem-1364	59	47	transition	transition	NOUN
eurjchem-1364	59	48	state	state	NOUN
eurjchem-1364	59	49	,	,	PUNCT
eurjchem-1364	59	50	the	the	DET
eurjchem-1364	59	51	singlet	singlet	NOUN
eurjchem-1364	59	52	and	and	CCONJ
eurjchem-1364	59	53	triplet	triplet	NOUN
eurjchem-1364	59	54	reaction	reaction	NOUN
eurjchem-1364	59	55	products	product	NOUN
eurjchem-1364	59	56	of	of	ADP
eurjchem-1364	59	57	the	the	DET
eurjchem-1364	59	58	c2‐c3	c2‐c3	NOUN
eurjchem-1364	59	59	bond	bond	NOUN
eurjchem-1364	59	60	cleavage	cleavage	NOUN
eurjchem-1364	59	61	reaction	reaction	NOUN
eurjchem-1364	59	62	in	in	ADP
eurjchem-1364	59	63	phenanthrene	phenanthrene	NOUN
eurjchem-1364	59	64	.	.	PUNCT
eurjchem-1364	60	1	figure	figure	VERB
eurjchem-1364	60	2	7	7	NUM
eurjchem-1364	60	3	.	.	PUNCT
eurjchem-1364	60	4	calculated	calculate	VERB
eurjchem-1364	60	5	reaction	reaction	NOUN
eurjchem-1364	60	6	path	path	NOUN
eurjchem-1364	60	7	for	for	ADP
eurjchem-1364	60	8	the	the	DET
eurjchem-1364	60	9	c3‐c4	c3‐c4	NOUN
eurjchem-1364	60	10	bond	bond	NOUN
eurjchem-1364	60	11	cleavage	cleavage	NOUN
eurjchem-1364	60	12	in	in	ADP
eurjchem-1364	60	13	phenanthrene	phenanthrene	NOUN
eurjchem-1364	60	14	,	,	PUNCT
eurjchem-1364	60	15	ea	ea	X
eurjchem-1364	60	16	=	=	SYM
eurjchem-1364	60	17	200.567	200.567	NUM
eurjchem-1364	60	18	kcal	kcal	NOUN
eurjchem-1364	60	19	/	/	SYM
eurjchem-1364	60	20	mol	mol	PROPN
eurjchem-1364	60	21	,	,	PUNCT
eurjchem-1364	60	22	er	er	INTJ
eurjchem-1364	60	23	singlet	singlet	NOUN
eurjchem-1364	60	24	=	=	SYM
eurjchem-1364	60	25	78.0412	78.0412	NUM
eurjchem-1364	60	26	kcal	kcal	NOUN
eurjchem-1364	60	27	/	/	SYM
eurjchem-1364	60	28	mol	mol	PROPN
eurjchem-1364	60	29	,	,	PUNCT
eurjchem-1364	60	30	er	er	INTJ
eurjchem-1364	60	31	triplet	triplet	NOUN
eurjchem-1364	60	32	=	=	SYM
eurjchem-1364	60	33	154.490	154.490	NUM
eurjchem-1364	60	34	kcal	kcal	NOUN
eurjchem-1364	60	35	/	/	SYM
eurjchem-1364	60	36	mol	mol	PROPN
eurjchem-1364	60	37	.	.	PUNCT
eurjchem-1364	61	1	3.1.1.4	3.1.1.4	PROPN
eurjchem-1364	61	2	.	.	PROPN
eurjchem-1364	61	3	c3‐c4	c3‐c4	PROPN
eurjchem-1364	61	4	bond	bond	NOUN
eurjchem-1364	61	5	cleavage	cleavage	NOUN
eurjchem-1364	61	6	the	the	DET
eurjchem-1364	61	7	cleavage	cleavage	NOUN
eurjchem-1364	61	8	of	of	ADP
eurjchem-1364	61	9	this	this	DET
eurjchem-1364	61	10	bond	bond	NOUN
eurjchem-1364	61	11	proceeds	proceed	VERB
eurjchem-1364	61	12	through	through	ADP
eurjchem-1364	61	13	a	a	DET
eurjchem-1364	61	14	singlet	singlet	ADJ
eurjchem-1364	61	15	transition	transition	NOUN
eurjchem-1364	61	16	state	state	NOUN
eurjchem-1364	61	17	formed	form	VERB
eurjchem-1364	61	18	by	by	ADP
eurjchem-1364	61	19	a	a	DET
eurjchem-1364	61	20	disrotatoric	disrotatoric	ADJ
eurjchem-1364	61	21	ring	ring	NOUN
eurjchem-1364	61	22	opening	opening	NOUN
eurjchem-1364	61	23	of	of	ADP
eurjchem-1364	61	24	an	an	DET
eurjchem-1364	61	25	activation	activation	NOUN
eurjchem-1364	61	26	energy	energy	NOUN
eurjchem-1364	61	27	of	of	ADP
eurjchem-1364	61	28	200.567	200.567	NUM
eurjchem-1364	61	29	kcal	kcal	NOUN
eurjchem-1364	61	30	/	/	SYM
eurjchem-1364	61	31	mol	mol	PROPN
eurjchem-1364	61	32	,	,	PUNCT
eurjchem-1364	61	33	figures	figure	VERB
eurjchem-1364	61	34	7	7	NUM
eurjchem-1364	61	35	and	and	CCONJ
eurjchem-1364	61	36	8	8	NUM
eurjchem-1364	61	37	.	.	PUNCT
eurjchem-1364	62	1	a	a	DET
eurjchem-1364	62	2	following	follow	VERB
eurjchem-1364	62	3	suprafacial	suprafacial	ADJ
eurjchem-1364	62	4	h	h	NOUN
eurjchem-1364	62	5	atom	atom	NOUN
eurjchem-1364	62	6	shift	shift	NOUN
eurjchem-1364	62	7	from	from	ADP
eurjchem-1364	62	8	c2	c2	PROPN
eurjchem-1364	62	9	to	to	ADP
eurjchem-1364	62	10	c4	c4	NOUN
eurjchem-1364	62	11	causes	cause	VERB
eurjchem-1364	62	12	the	the	DET
eurjchem-1364	62	13	formation	formation	NOUN
eurjchem-1364	62	14	of	of	ADP
eurjchem-1364	62	15	the	the	DET
eurjchem-1364	62	16	singlet	singlet	ADJ
eurjchem-1364	62	17	final	final	ADJ
eurjchem-1364	62	18	product	product	NOUN
eurjchem-1364	62	19	.	.	PUNCT
eurjchem-1364	63	1	a	a	DET
eurjchem-1364	63	2	c2≡c3	c2≡c3	NOUN
eurjchem-1364	63	3	bond	bond	NOUN
eurjchem-1364	63	4	is	be	AUX
eurjchem-1364	63	5	formed	form	VERB
eurjchem-1364	63	6	through	through	ADP
eurjchem-1364	63	7	this	this	DET
eurjchem-1364	63	8	h	h	NOUN
eurjchem-1364	63	9	shift	shift	NOUN
eurjchem-1364	63	10	too	too	ADV
eurjchem-1364	63	11	.	.	PUNCT
eurjchem-1364	64	1	the	the	DET
eurjchem-1364	64	2	length	length	NOUN
eurjchem-1364	64	3	of	of	ADP
eurjchem-1364	64	4	this	this	DET
eurjchem-1364	64	5	bond	bond	NOUN
eurjchem-1364	64	6	is	be	AUX
eurjchem-1364	64	7	1.217	1.217	NUM
eurjchem-1364	64	8	å	å	NOUN
eurjchem-1364	64	9	.	.	PROPN
eurjchem-1364	65	1	170	170	NUM
eurjchem-1364	65	2	shanshal	shanshal	VERB
eurjchem-1364	65	3	et	et	PROPN
eurjchem-1364	65	4	al	al	PROPN
eurjchem-1364	65	5	.	.	PUNCT
eurjchem-1364	65	6	/	/	SYM
eurjchem-1364	65	7	european	european	PROPN
eurjchem-1364	65	8	journal	journal	PROPN
eurjchem-1364	65	9	of	of	ADP
eurjchem-1364	65	10	chemistry	chemistry	NOUN
eurjchem-1364	65	11	7	7	NUM
eurjchem-1364	65	12	(	(	PUNCT
eurjchem-1364	65	13	2	2	NUM
eurjchem-1364	65	14	)	)	PUNCT
eurjchem-1364	65	15	(	(	PUNCT
eurjchem-1364	65	16	2016	2016	NUM
eurjchem-1364	65	17	)	)	PUNCT
eurjchem-1364	65	18	166‐175	166‐175	NUM
eurjchem-1364	65	19	figure	figure	NOUN
eurjchem-1364	65	20	8	8	NUM
eurjchem-1364	65	21	.	.	PUNCT
eurjchem-1364	65	22	calculated	calculate	VERB
eurjchem-1364	65	23	structures	structure	NOUN
eurjchem-1364	65	24	of	of	ADP
eurjchem-1364	65	25	the	the	DET
eurjchem-1364	65	26	reaction	reaction	NOUN
eurjchem-1364	65	27	transition	transition	NOUN
eurjchem-1364	65	28	state	state	NOUN
eurjchem-1364	65	29	,	,	PUNCT
eurjchem-1364	65	30	singlet	singlet	NOUN
eurjchem-1364	65	31	and	and	CCONJ
eurjchem-1364	65	32	triplet	triplet	NOUN
eurjchem-1364	65	33	reaction	reaction	NOUN
eurjchem-1364	65	34	products	product	NOUN
eurjchem-1364	65	35	of	of	ADP
eurjchem-1364	65	36	the	the	DET
eurjchem-1364	65	37	c3‐c4	c3‐c4	NOUN
eurjchem-1364	65	38	bond	bond	NOUN
eurjchem-1364	65	39	cleavage	cleavage	NOUN
eurjchem-1364	65	40	in	in	ADP
eurjchem-1364	65	41	phenanthrene	phenanthrene	NOUN
eurjchem-1364	65	42	.	.	PUNCT
eurjchem-1364	66	1	figure	figure	NOUN
eurjchem-1364	66	2	9	9	NUM
eurjchem-1364	66	3	.	.	PUNCT
eurjchem-1364	66	4	calculated	calculate	VERB
eurjchem-1364	66	5	reaction	reaction	NOUN
eurjchem-1364	66	6	path	path	NOUN
eurjchem-1364	66	7	for	for	ADP
eurjchem-1364	66	8	the	the	DET
eurjchem-1364	66	9	c4‐c4a	c4‐c4a	ADJ
eurjchem-1364	66	10	bond	bond	NOUN
eurjchem-1364	66	11	cleavage	cleavage	NOUN
eurjchem-1364	66	12	in	in	ADP
eurjchem-1364	66	13	phenanthrene	phenanthrene	NOUN
eurjchem-1364	66	14	,	,	PUNCT
eurjchem-1364	66	15	ea	ea	X
eurjchem-1364	66	16	=	=	SYM
eurjchem-1364	66	17	194.503	194.503	NUM
eurjchem-1364	66	18	kcal	kcal	PROPN
eurjchem-1364	66	19	/	/	SYM
eurjchem-1364	66	20	mol	mol	PROPN
eurjchem-1364	66	21	,	,	PUNCT
eurjchem-1364	66	22	er	er	INTJ
eurjchem-1364	66	23	singlet	singlet	NOUN
eurjchem-1364	66	24	=	=	SYM
eurjchem-1364	66	25	62.639	62.639	NUM
eurjchem-1364	66	26	kcal	kcal	NOUN
eurjchem-1364	66	27	/	/	SYM
eurjchem-1364	66	28	mol	mol	PROPN
eurjchem-1364	66	29	,	,	PUNCT
eurjchem-1364	66	30	er	er	INTJ
eurjchem-1364	66	31	triplet	triplet	NOUN
eurjchem-1364	66	32	=	=	SYM
eurjchem-1364	66	33	158.460	158.460	NUM
eurjchem-1364	66	34	kcal	kcal	PROPN
eurjchem-1364	66	35	/	/	SYM
eurjchem-1364	66	36	mol	mol	PROPN
eurjchem-1364	66	37	.	.	PUNCT
eurjchem-1364	67	1	3.1.1.5	3.1.1.5	NUM
eurjchem-1364	67	2	.	.	PUNCT
eurjchem-1364	67	3	c4‐c4a	c4‐c4a	ADJ
eurjchem-1364	67	4	bond	bond	NOUN
eurjchem-1364	67	5	cleavage	cleavage	NOUN
eurjchem-1364	67	6	the	the	DET
eurjchem-1364	67	7	study	study	NOUN
eurjchem-1364	67	8	for	for	ADP
eurjchem-1364	67	9	this	this	DET
eurjchem-1364	67	10	bond	bond	NOUN
eurjchem-1364	67	11	reveals	reveal	VERB
eurjchem-1364	67	12	that	that	SCONJ
eurjchem-1364	67	13	the	the	DET
eurjchem-1364	67	14	ring	ring	NOUN
eurjchem-1364	67	15	opening	opening	NOUN
eurjchem-1364	67	16	proceeds	proceed	NOUN
eurjchem-1364	67	17	through	through	ADP
eurjchem-1364	67	18	a	a	DET
eurjchem-1364	67	19	planar	planar	ADJ
eurjchem-1364	67	20	and	and	CCONJ
eurjchem-1364	67	21	aromatic	aromatic	ADJ
eurjchem-1364	67	22	transition	transition	NOUN
eurjchem-1364	67	23	state	state	NOUN
eurjchem-1364	67	24	,	,	PUNCT
eurjchem-1364	67	25	too	too	ADV
eurjchem-1364	67	26	,	,	PUNCT
eurjchem-1364	67	27	figures	figure	NOUN
eurjchem-1364	67	28	9	9	NUM
eurjchem-1364	67	29	and	and	CCONJ
eurjchem-1364	67	30	10	10	NUM
eurjchem-1364	67	31	,	,	PUNCT
eurjchem-1364	67	32	with	with	ADP
eurjchem-1364	67	33	an	an	DET
eurjchem-1364	67	34	activation	activation	NOUN
eurjchem-1364	67	35	energy	energy	NOUN
eurjchem-1364	67	36	of	of	ADP
eurjchem-1364	67	37	ea	ea	NOUN
eurjchem-1364	67	38	=	=	SYM
eurjchem-1364	67	39	194.503	194.503	NUM
eurjchem-1364	67	40	kcal	kcal	PROPN
eurjchem-1364	67	41	/	/	SYM
eurjchem-1364	67	42	mol	mol	PROPN
eurjchem-1364	67	43	.	.	PUNCT
eurjchem-1364	67	44	further	further	ADJ
eurjchem-1364	67	45	progress	progress	NOUN
eurjchem-1364	67	46	of	of	ADP
eurjchem-1364	67	47	the	the	DET
eurjchem-1364	67	48	reaction	reaction	NOUN
eurjchem-1364	67	49	leads	lead	VERB
eurjchem-1364	67	50	to	to	ADP
eurjchem-1364	67	51	a	a	DET
eurjchem-1364	67	52	singlet	singlet	ADJ
eurjchem-1364	67	53	product	product	NOUN
eurjchem-1364	67	54	in	in	ADP
eurjchem-1364	67	55	which	which	PRON
eurjchem-1364	67	56	the	the	DET
eurjchem-1364	67	57	h3	h3	NOUN
eurjchem-1364	67	58	atom	atom	NOUN
eurjchem-1364	67	59	is	be	AUX
eurjchem-1364	67	60	shifted	shift	VERB
eurjchem-1364	67	61	towards	towards	ADP
eurjchem-1364	67	62	the	the	DET
eurjchem-1364	67	63	c4a	c4a	ADJ
eurjchem-1364	67	64	atom	atom	NOUN
eurjchem-1364	67	65	.	.	PUNCT
eurjchem-1364	68	1	the	the	DET
eurjchem-1364	68	2	singlet	singlet	ADJ
eurjchem-1364	68	3	product	product	NOUN
eurjchem-1364	68	4	is	be	AUX
eurjchem-1364	68	5	by	by	ADP
eurjchem-1364	68	6	95	95	NUM
eurjchem-1364	68	7	kcal	kcal	NOUN
eurjchem-1364	68	8	/	/	SYM
eurjchem-1364	68	9	mol	mol	ADP
eurjchem-1364	68	10	more	more	ADV
eurjchem-1364	68	11	stable	stable	ADJ
eurjchem-1364	68	12	than	than	ADP
eurjchem-1364	68	13	the	the	DET
eurjchem-1364	68	14	triplet	triplet	NOUN
eurjchem-1364	68	15	.	.	PUNCT
eurjchem-1364	69	1	the	the	DET
eurjchem-1364	69	2	singlet	singlet	ADJ
eurjchem-1364	69	3	product	product	NOUN
eurjchem-1364	69	4	exhibits	exhibit	VERB
eurjchem-1364	69	5	a	a	DET
eurjchem-1364	69	6	non‐coplanar	non‐coplanar	NOUN
eurjchem-1364	69	7	confor‐	confor‐	NOUN
eurjchem-1364	69	8	mation	mation	NOUN
eurjchem-1364	69	9	in	in	ADP
eurjchem-1364	69	10	which	which	PRON
eurjchem-1364	69	11	the	the	DET
eurjchem-1364	69	12	c2c3c4	c2c3c4	NOUN
eurjchem-1364	69	13	fragment	fragment	NOUN
eurjchem-1364	69	14	is	be	AUX
eurjchem-1364	69	15	twisted	twist	VERB
eurjchem-1364	69	16	out	out	ADP
eurjchem-1364	69	17	of	of	ADP
eurjchem-1364	69	18	the	the	DET
eurjchem-1364	69	19	plane	plane	NOUN
eurjchem-1364	69	20	of	of	ADP
eurjchem-1364	69	21	the	the	DET
eurjchem-1364	69	22	rest	rest	NOUN
eurjchem-1364	69	23	of	of	ADP
eurjchem-1364	69	24	the	the	DET
eurjchem-1364	69	25	molecule	molecule	NOUN
eurjchem-1364	69	26	.	.	PUNCT
eurjchem-1364	70	1	3.1.1.6	3.1.1.6	X
eurjchem-1364	70	2	.	.	PROPN
eurjchem-1364	70	3	c4a‐c4b	c4a‐c4b	VERB
eurjchem-1364	70	4	bond	bond	NOUN
eurjchem-1364	70	5	cleavage	cleavage	NOUN
eurjchem-1364	70	6	no	no	DET
eurjchem-1364	70	7	stable	stable	ADJ
eurjchem-1364	70	8	singlet	singlet	ADJ
eurjchem-1364	70	9	final	final	ADJ
eurjchem-1364	70	10	product	product	NOUN
eurjchem-1364	70	11	could	could	AUX
eurjchem-1364	70	12	be	be	AUX
eurjchem-1364	70	13	calculated	calculate	VERB
eurjchem-1364	70	14	for	for	ADP
eurjchem-1364	70	15	the	the	DET
eurjchem-1364	70	16	cleavage	cleavage	NOUN
eurjchem-1364	70	17	of	of	ADP
eurjchem-1364	70	18	this	this	DET
eurjchem-1364	70	19	bond	bond	NOUN
eurjchem-1364	70	20	.	.	PUNCT
eurjchem-1364	71	1	the	the	DET
eurjchem-1364	71	2	reaction	reaction	NOUN
eurjchem-1364	71	3	proceeds	proceed	VERB
eurjchem-1364	71	4	through	through	ADP
eurjchem-1364	71	5	a	a	DET
eurjchem-1364	71	6	coplanar	coplanar	ADJ
eurjchem-1364	71	7	aromatic	aromatic	ADJ
eurjchem-1364	71	8	transition	transition	NOUN
eurjchem-1364	71	9	state	state	NOUN
eurjchem-1364	71	10	too	too	ADV
eurjchem-1364	71	11	with	with	ADP
eurjchem-1364	71	12	an	an	DET
eurjchem-1364	71	13	activation	activation	NOUN
eurjchem-1364	71	14	energy	energy	NOUN
eurjchem-1364	71	15	of	of	ADP
eurjchem-1364	71	16	180.447	180.447	NUM
eurjchem-1364	71	17	kcal	kcal	NOUN
eurjchem-1364	71	18	/	/	SYM
eurjchem-1364	71	19	mol	mol	PROPN
eurjchem-1364	71	20	.	.	PUNCT
eurjchem-1364	72	1	the	the	DET
eurjchem-1364	72	2	reaction	reaction	NOUN
eurjchem-1364	72	3	proceeds	proceed	VERB
eurjchem-1364	72	4	then	then	ADV
eurjchem-1364	72	5	adopting	adopt	VERB
eurjchem-1364	72	6	the	the	DET
eurjchem-1364	72	7	triplet	triplet	NOUN
eurjchem-1364	72	8	electron	electron	NOUN
eurjchem-1364	72	9	configuration	configuration	NOUN
eurjchem-1364	72	10	and	and	CCONJ
eurjchem-1364	72	11	reaction	reaction	NOUN
eurjchem-1364	72	12	energy	energy	NOUN
eurjchem-1364	72	13	of	of	ADP
eurjchem-1364	72	14	130.624	130.624	NUM
eurjchem-1364	72	15	kcal	kcal	NOUN
eurjchem-1364	72	16	/	/	SYM
eurjchem-1364	72	17	mol	mol	PROPN
eurjchem-1364	72	18	,	,	PUNCT
eurjchem-1364	72	19	figure	figure	NOUN
eurjchem-1364	72	20	11	11	NUM
eurjchem-1364	72	21	.	.	PUNCT
eurjchem-1364	73	1	the	the	DET
eurjchem-1364	73	2	geometry	geometry	NOUN
eurjchem-1364	73	3	of	of	ADP
eurjchem-1364	73	4	the	the	DET
eurjchem-1364	73	5	final	final	ADJ
eurjchem-1364	73	6	product	product	NOUN
eurjchem-1364	73	7	shows	show	VERB
eurjchem-1364	73	8	a	a	DET
eurjchem-1364	73	9	twisting	twisting	NOUN
eurjchem-1364	73	10	of	of	ADP
eurjchem-1364	73	11	a	a	DET
eurjchem-1364	73	12	single	single	ADJ
eurjchem-1364	73	13	aromatic	aromatic	ADJ
eurjchem-1364	73	14	ring	ring	NOUN
eurjchem-1364	73	15	out	out	ADP
eurjchem-1364	73	16	of	of	ADP
eurjchem-1364	73	17	the	the	DET
eurjchem-1364	73	18	plane	plane	NOUN
eurjchem-1364	73	19	of	of	ADP
eurjchem-1364	73	20	the	the	DET
eurjchem-1364	73	21	rest	rest	NOUN
eurjchem-1364	73	22	of	of	ADP
eurjchem-1364	73	23	the	the	DET
eurjchem-1364	73	24	molecule	molecule	NOUN
eurjchem-1364	73	25	with	with	ADP
eurjchem-1364	73	26	a	a	DET
eurjchem-1364	73	27	rotation	rotation	NOUN
eurjchem-1364	73	28	angle	angle	NOUN
eurjchem-1364	73	29	of	of	ADP
eurjchem-1364	73	30	155	155	NUM
eurjchem-1364	73	31	degrees	degree	NOUN
eurjchem-1364	73	32	.	.	PUNCT
eurjchem-1364	74	1	the	the	DET
eurjchem-1364	74	2	twisting	twisting	NOUN
eurjchem-1364	74	3	proceeds	proceed	VERB
eurjchem-1364	74	4	such	such	ADJ
eurjchem-1364	74	5	that	that	SCONJ
eurjchem-1364	74	6	c4b	c4b	ADJ
eurjchem-1364	74	7	atom	atom	NOUN
eurjchem-1364	74	8	is	be	AUX
eurjchem-1364	74	9	displaced	displace	VERB
eurjchem-1364	74	10	away	away	ADV
eurjchem-1364	74	11	from	from	ADP
eurjchem-1364	74	12	the	the	DET
eurjchem-1364	74	13	c4a	c4a	ADJ
eurjchem-1364	74	14	atom	atom	NOUN
eurjchem-1364	74	15	,	,	PUNCT
eurjchem-1364	74	16	figure	figure	NOUN
eurjchem-1364	74	17	12	12	NUM
eurjchem-1364	74	18	.	.	PUNCT
eurjchem-1364	75	1	3.1.1.7	3.1.1.7	NUM
eurjchem-1364	75	2	.	.	PUNCT
eurjchem-1364	75	3	c4a‐c10a	c4a‐c10a	PUNCT
eurjchem-1364	76	1	bond	bond	NOUN
eurjchem-1364	76	2	cleavage	cleavage	NOUN
eurjchem-1364	76	3	the	the	DET
eurjchem-1364	76	4	singlet	singlet	ADJ
eurjchem-1364	76	5	transition	transition	NOUN
eurjchem-1364	76	6	state	state	NOUN
eurjchem-1364	76	7	of	of	ADP
eurjchem-1364	76	8	this	this	DET
eurjchem-1364	76	9	reaction	reaction	NOUN
eurjchem-1364	76	10	falls	fall	VERB
eurjchem-1364	76	11	at	at	ADP
eurjchem-1364	76	12	the	the	DET
eurjchem-1364	76	13	bond	bond	NOUN
eurjchem-1364	76	14	distance	distance	NOUN
eurjchem-1364	76	15	3.1å	3.1å	NUM
eurjchem-1364	76	16	.	.	PUNCT
eurjchem-1364	77	1	it	it	PRON
eurjchem-1364	77	2	represents	represent	VERB
eurjchem-1364	77	3	a	a	DET
eurjchem-1364	77	4	10	10	NUM
eurjchem-1364	77	5	π‐e	π‐e	NUM
eurjchem-1364	77	6	system	system	NOUN
eurjchem-1364	77	7	,	,	PUNCT
eurjchem-1364	77	8	too	too	ADV
eurjchem-1364	77	9	.	.	PUNCT
eurjchem-1364	78	1	the	the	DET
eurjchem-1364	78	2	singlet	singlet	ADJ
eurjchem-1364	78	3	reaction	reaction	NOUN
eurjchem-1364	78	4	product	product	NOUN
eurjchem-1364	78	5	is	be	AUX
eurjchem-1364	78	6	found	find	VERB
eurjchem-1364	78	7	more	more	ADV
eurjchem-1364	78	8	stable	stable	ADJ
eurjchem-1364	78	9	than	than	ADP
eurjchem-1364	78	10	the	the	DET
eurjchem-1364	78	11	triplet	triplet	NOUN
eurjchem-1364	78	12	state	state	NOUN
eurjchem-1364	78	13	by	by	ADP
eurjchem-1364	78	14	13	13	NUM
eurjchem-1364	78	15	kcal	kcal	NOUN
eurjchem-1364	78	16	/	/	SYM
eurjchem-1364	78	17	mol	mol	PROPN
eurjchem-1364	78	18	,	,	PUNCT
eurjchem-1364	78	19	figure	figure	NOUN
eurjchem-1364	78	20	13	13	NUM
eurjchem-1364	78	21	.	.	PUNCT
eurjchem-1364	79	1	at	at	ADP
eurjchem-1364	79	2	the	the	DET
eurjchem-1364	79	3	reaction	reaction	NOUN
eurjchem-1364	79	4	product	product	NOUN
eurjchem-1364	79	5	the	the	DET
eurjchem-1364	79	6	molecular	molecular	ADJ
eurjchem-1364	79	7	geometry	geometry	NOUN
eurjchem-1364	79	8	deviates	deviate	VERB
eurjchem-1364	79	9	from	from	ADP
eurjchem-1364	79	10	the	the	DET
eurjchem-1364	79	11	planarity	planarity	NOUN
eurjchem-1364	79	12	in	in	SCONJ
eurjchem-1364	79	13	that	that	SCONJ
eurjchem-1364	79	14	the	the	DET
eurjchem-1364	79	15	c1c2c3c4	c1c2c3c4	PROPN
eurjchem-1364	79	16	fragment	fragment	NOUN
eurjchem-1364	79	17	is	be	AUX
eurjchem-1364	79	18	tilted	tilt	VERB
eurjchem-1364	79	19	out	out	ADP
eurjchem-1364	79	20	of	of	ADP
eurjchem-1364	79	21	the	the	DET
eurjchem-1364	79	22	plane	plane	NOUN
eurjchem-1364	79	23	of	of	ADP
eurjchem-1364	79	24	the	the	DET
eurjchem-1364	79	25	rest	rest	NOUN
eurjchem-1364	79	26	of	of	ADP
eurjchem-1364	79	27	the	the	DET
eurjchem-1364	79	28	molecule	molecule	NOUN
eurjchem-1364	79	29	.	.	PUNCT
eurjchem-1364	80	1	the	the	DET
eurjchem-1364	80	2	geometry	geometry	NOUN
eurjchem-1364	80	3	of	of	ADP
eurjchem-1364	80	4	the	the	DET
eurjchem-1364	80	5	triplet	triplet	NOUN
eurjchem-1364	80	6	reaction	reaction	NOUN
eurjchem-1364	80	7	product	product	NOUN
eurjchem-1364	80	8	is	be	AUX
eurjchem-1364	80	9	depicted	depict	VERB
eurjchem-1364	80	10	by	by	ADP
eurjchem-1364	80	11	the	the	DET
eurjchem-1364	80	12	deformation	deformation	NOUN
eurjchem-1364	80	13	of	of	ADP
eurjchem-1364	80	14	the	the	DET
eurjchem-1364	80	15	molecular	molecular	ADJ
eurjchem-1364	80	16	fragment	fragment	NOUN
eurjchem-1364	80	17	c10c10ac1c2c3	c10c10ac1c2c3	NOUN
eurjchem-1364	80	18	out	out	ADP
eurjchem-1364	80	19	of	of	ADP
eurjchem-1364	80	20	the	the	DET
eurjchem-1364	80	21	plane	plane	NOUN
eurjchem-1364	80	22	of	of	ADP
eurjchem-1364	80	23	the	the	DET
eurjchem-1364	80	24	molecule	molecule	NOUN
eurjchem-1364	80	25	,	,	PUNCT
eurjchem-1364	80	26	figure	figure	NOUN
eurjchem-1364	80	27	14	14	NUM
eurjchem-1364	80	28	.	.	PUNCT
eurjchem-1364	81	1	3.1.1.8	3.1.1.8	NUM
eurjchem-1364	81	2	.	.	PUNCT
eurjchem-1364	82	1	c8a‐c9	c8a‐c9	PROPN
eurjchem-1364	82	2	bond	bond	NOUN
eurjchem-1364	82	3	cleavage	cleavage	NOUN
eurjchem-1364	82	4	the	the	DET
eurjchem-1364	82	5	reaction	reaction	NOUN
eurjchem-1364	82	6	of	of	ADP
eurjchem-1364	82	7	this	this	DET
eurjchem-1364	82	8	bond	bond	NOUN
eurjchem-1364	82	9	proceeds	proceed	VERB
eurjchem-1364	82	10	through	through	ADP
eurjchem-1364	82	11	a	a	DET
eurjchem-1364	82	12	(	(	PUNCT
eurjchem-1364	82	13	s	s	PROPN
eurjchem-1364	82	14	,	,	PUNCT
eurjchem-1364	82	15	ts	ts	NOUN
eurjchem-1364	82	16	)	)	PUNCT
eurjchem-1364	82	17	,	,	PUNCT
eurjchem-1364	82	18	at	at	ADP
eurjchem-1364	82	19	3.7	3.7	NUM
eurjchem-1364	82	20	å	å	NOUN
eurjchem-1364	82	21	,	,	PUNCT
eurjchem-1364	82	22	figure	figure	VERB
eurjchem-1364	82	23	15	15	NUM
eurjchem-1364	82	24	.	.	PUNCT
eurjchem-1364	83	1	it	it	PRON
eurjchem-1364	83	2	is	be	AUX
eurjchem-1364	83	3	composed	compose	VERB
eurjchem-1364	83	4	of	of	ADP
eurjchem-1364	83	5	2	2	NUM
eurjchem-1364	83	6	aromatic	aromatic	ADJ
eurjchem-1364	83	7	rings	ring	NOUN
eurjchem-1364	83	8	,	,	PUNCT
eurjchem-1364	83	9	a	a	DET
eurjchem-1364	83	10	phenyl	phenyl	NOUN
eurjchem-1364	83	11	and	and	CCONJ
eurjchem-1364	83	12	a	a	DET
eurjchem-1364	83	13	styrene	styrene	NOUN
eurjchem-1364	83	14	ring	ring	NOUN
eurjchem-1364	83	15	,	,	PUNCT
eurjchem-1364	83	16	that	that	PRON
eurjchem-1364	83	17	are	be	AUX
eurjchem-1364	83	18	almost	almost	ADV
eurjchem-1364	83	19	perpendicular	perpendicular	ADJ
eurjchem-1364	83	20	to	to	ADP
eurjchem-1364	83	21	each	each	DET
eurjchem-1364	83	22	other	other	ADJ
eurjchem-1364	83	23	,	,	PUNCT
eurjchem-1364	83	24	figure	figure	VERB
eurjchem-1364	83	25	16	16	NUM
eurjchem-1364	83	26	.	.	PUNCT
eurjchem-1364	84	1	the	the	DET
eurjchem-1364	84	2	related	relate	VERB
eurjchem-1364	84	3	activation	activation	NOUN
eurjchem-1364	84	4	energy	energy	NOUN
eurjchem-1364	84	5	is	be	AUX
eurjchem-1364	84	6	169.751	169.751	NUM
eurjchem-1364	84	7	kcal	kcal	PROPN
eurjchem-1364	84	8	/	/	SYM
eurjchem-1364	84	9	mol	mol	PROPN
eurjchem-1364	84	10	.	.	PUNCT
eurjchem-1364	85	1	the	the	DET
eurjchem-1364	85	2	reaction	reaction	NOUN
eurjchem-1364	85	3	ends	end	VERB
eurjchem-1364	85	4	with	with	ADP
eurjchem-1364	85	5	a	a	DET
eurjchem-1364	85	6	singlet	singlet	ADJ
eurjchem-1364	85	7	final	final	ADJ
eurjchem-1364	85	8	product	product	NOUN
eurjchem-1364	85	9	in	in	ADP
eurjchem-1364	85	10	which	which	PRON
eurjchem-1364	85	11	c5	c5	PROPN
eurjchem-1364	85	12	approaches	approach	VERB
eurjchem-1364	85	13	c9	c9	PROPN
eurjchem-1364	85	14	placing	place	VERB
eurjchem-1364	85	15	the	the	DET
eurjchem-1364	85	16	c6c7c8	c6c7c8	NOUN
eurjchem-1364	85	17	fragment	fragment	NOUN
eurjchem-1364	85	18	out	out	ADP
eurjchem-1364	85	19	of	of	ADP
eurjchem-1364	85	20	the	the	DET
eurjchem-1364	85	21	molecular	molecular	ADJ
eurjchem-1364	85	22	plane	plane	NOUN
eurjchem-1364	85	23	.	.	PUNCT
eurjchem-1364	86	1	the	the	DET
eurjchem-1364	86	2	calculated	calculated	ADJ
eurjchem-1364	86	3	singlet	singlet	NOUN
eurjchem-1364	86	4	reaction	reaction	NOUN
eurjchem-1364	86	5	energy	energy	NOUN
eurjchem-1364	86	6	is	be	AUX
eurjchem-1364	86	7	97.296	97.296	NUM
eurjchem-1364	86	8	kcal	kcal	NOUN
eurjchem-1364	86	9	/	/	SYM
eurjchem-1364	86	10	mol	mol	PROPN
eurjchem-1364	86	11	.	.	PUNCT
eurjchem-1364	87	1	the	the	DET
eurjchem-1364	87	2	calculated	calculate	VERB
eurjchem-1364	87	3	structure	structure	NOUN
eurjchem-1364	87	4	of	of	ADP
eurjchem-1364	87	5	the	the	DET
eurjchem-1364	87	6	triplet	triplet	NOUN
eurjchem-1364	87	7	reaction	reaction	NOUN
eurjchem-1364	87	8	product	product	NOUN
eurjchem-1364	87	9	is	be	AUX
eurjchem-1364	87	10	similar	similar	ADJ
eurjchem-1364	87	11	to	to	ADP
eurjchem-1364	87	12	that	that	PRON
eurjchem-1364	87	13	of	of	ADP
eurjchem-1364	87	14	the	the	DET
eurjchem-1364	87	15	transition	transition	NOUN
eurjchem-1364	87	16	state	state	NOUN
eurjchem-1364	87	17	i.e.	i.e.	X
eurjchem-1364	87	18	no	no	DET
eurjchem-1364	87	19	further	further	ADJ
eurjchem-1364	87	20	rotation	rotation	NOUN
eurjchem-1364	87	21	of	of	ADP
eurjchem-1364	87	22	the	the	DET
eurjchem-1364	87	23	aromatic	aromatic	ADJ
eurjchem-1364	87	24	rings	ring	NOUN
eurjchem-1364	87	25	relative	relative	ADJ
eurjchem-1364	87	26	to	to	ADP
eurjchem-1364	87	27	each	each	DET
eurjchem-1364	87	28	other	other	ADJ
eurjchem-1364	87	29	takes	take	VERB
eurjchem-1364	87	30	place	place	NOUN
eurjchem-1364	87	31	.	.	PUNCT
eurjchem-1364	88	1	its	its	PRON
eurjchem-1364	88	2	calculated	calculated	ADJ
eurjchem-1364	88	3	reaction	reaction	NOUN
eurjchem-1364	88	4	energy	energy	NOUN
eurjchem-1364	88	5	is	be	AUX
eurjchem-1364	88	6	132.336	132.336	NUM
eurjchem-1364	88	7	kcal	kcal	PROPN
eurjchem-1364	88	8	/	/	SYM
eurjchem-1364	88	9	mol	mol	PROPN
eurjchem-1364	88	10	.	.	PROPN
eurjchem-1364	88	11	shanshal	shanshal	PROPN
eurjchem-1364	88	12	et	et	PROPN
eurjchem-1364	88	13	al	al	PROPN
eurjchem-1364	88	14	.	.	PUNCT
eurjchem-1364	88	15	/	/	SYM
eurjchem-1364	88	16	european	european	PROPN
eurjchem-1364	88	17	journal	journal	PROPN
eurjchem-1364	88	18	of	of	ADP
eurjchem-1364	88	19	chemistry	chemistry	NOUN
eurjchem-1364	88	20	7	7	NUM
eurjchem-1364	88	21	(	(	PUNCT
eurjchem-1364	88	22	2	2	NUM
eurjchem-1364	88	23	)	)	PUNCT
eurjchem-1364	88	24	(	(	PUNCT
eurjchem-1364	88	25	2016	2016	NUM
eurjchem-1364	88	26	)	)	PUNCT
eurjchem-1364	89	1	166‐175	166‐175	NOUN
eurjchem-1364	89	2	171	171	NUM
eurjchem-1364	89	3	figure	figure	NOUN
eurjchem-1364	89	4	10	10	NUM
eurjchem-1364	89	5	.	.	PUNCT
eurjchem-1364	89	6	calculated	calculate	VERB
eurjchem-1364	89	7	structures	structure	NOUN
eurjchem-1364	89	8	of	of	ADP
eurjchem-1364	89	9	the	the	DET
eurjchem-1364	89	10	transition	transition	NOUN
eurjchem-1364	89	11	state	state	NOUN
eurjchem-1364	89	12	,	,	PUNCT
eurjchem-1364	89	13	the	the	DET
eurjchem-1364	89	14	singlet	singlet	NOUN
eurjchem-1364	89	15	and	and	CCONJ
eurjchem-1364	89	16	the	the	DET
eurjchem-1364	89	17	triplet	triplet	NOUN
eurjchem-1364	89	18	end	end	NOUN
eurjchem-1364	89	19	products	product	NOUN
eurjchem-1364	89	20	of	of	ADP
eurjchem-1364	89	21	the	the	DET
eurjchem-1364	89	22	c4‐c4a	c4‐c4a	ADJ
eurjchem-1364	89	23	bond	bond	NOUN
eurjchem-1364	89	24	cleavage	cleavage	NOUN
eurjchem-1364	89	25	in	in	ADP
eurjchem-1364	89	26	phenanthrene	phenanthrene	NOUN
eurjchem-1364	89	27	.	.	PUNCT
eurjchem-1364	90	1	figure	figure	NOUN
eurjchem-1364	90	2	11	11	NUM
eurjchem-1364	90	3	.	.	PUNCT
eurjchem-1364	91	1	calculated	calculate	VERB
eurjchem-1364	91	2	reaction	reaction	NOUN
eurjchem-1364	91	3	path	path	NOUN
eurjchem-1364	91	4	for	for	ADP
eurjchem-1364	91	5	the	the	DET
eurjchem-1364	91	6	c4a‐c4b	c4a‐c4b	NOUN
eurjchem-1364	91	7	bond	bond	NOUN
eurjchem-1364	91	8	cleavage	cleavage	NOUN
eurjchem-1364	91	9	in	in	ADP
eurjchem-1364	91	10	phenanthrene	phenanthrene	NOUN
eurjchem-1364	91	11	,	,	PUNCT
eurjchem-1364	91	12	ea=	ea=	VERB
eurjchem-1364	91	13	180.447	180.447	NUM
eurjchem-1364	91	14	kcal	kcal	PROPN
eurjchem-1364	91	15	/	/	SYM
eurjchem-1364	91	16	mol	mol	PROPN
eurjchem-1364	91	17	,	,	PUNCT
eurjchem-1364	91	18	er	er	INTJ
eurjchem-1364	91	19	triplet	triplet	NOUN
eurjchem-1364	91	20	=	=	NOUN
eurjchem-1364	91	21	130.624	130.624	NUM
eurjchem-1364	91	22	kcal	kcal	NOUN
eurjchem-1364	91	23	/	/	SYM
eurjchem-1364	91	24	mol	mol	PROPN
eurjchem-1364	91	25	.	.	PROPN
eurjchem-1364	91	26	figure	figure	NOUN
eurjchem-1364	91	27	12	12	NUM
eurjchem-1364	91	28	.	.	PUNCT
eurjchem-1364	92	1	calculated	calculate	VERB
eurjchem-1364	92	2	structures	structure	NOUN
eurjchem-1364	92	3	of	of	ADP
eurjchem-1364	92	4	the	the	DET
eurjchem-1364	92	5	transition	transition	NOUN
eurjchem-1364	92	6	state	state	NOUN
eurjchem-1364	92	7	and	and	CCONJ
eurjchem-1364	92	8	the	the	DET
eurjchem-1364	92	9	triplet	triplet	NOUN
eurjchem-1364	92	10	reaction	reaction	NOUN
eurjchem-1364	92	11	product	product	NOUN
eurjchem-1364	92	12	of	of	ADP
eurjchem-1364	92	13	the	the	DET
eurjchem-1364	92	14	c4a‐c4b	c4a‐c4b	NOUN
eurjchem-1364	92	15	bond	bond	NOUN
eurjchem-1364	92	16	cleavage	cleavage	NOUN
eurjchem-1364	92	17	in	in	ADP
eurjchem-1364	92	18	phenanthrene	phenanthrene	NOUN
eurjchem-1364	92	19	.	.	PUNCT
eurjchem-1364	93	1	3.1.1.9	3.1.1.9	NUM
eurjchem-1364	93	2	.	.	X
eurjchem-1364	93	3	c9‐c10	c9‐c10	PROPN
eurjchem-1364	93	4	bond	bond	NOUN
eurjchem-1364	93	5	cleavage	cleavage	NOUN
eurjchem-1364	93	6	the	the	DET
eurjchem-1364	93	7	cleavage	cleavage	NOUN
eurjchem-1364	93	8	of	of	ADP
eurjchem-1364	93	9	this	this	DET
eurjchem-1364	93	10	bond	bond	NOUN
eurjchem-1364	93	11	proceeds	proceed	VERB
eurjchem-1364	93	12	through	through	ADP
eurjchem-1364	93	13	a	a	DET
eurjchem-1364	93	14	singlet	singlet	ADJ
eurjchem-1364	93	15	transition	transition	NOUN
eurjchem-1364	93	16	state	state	NOUN
eurjchem-1364	93	17	in	in	ADP
eurjchem-1364	93	18	which	which	PRON
eurjchem-1364	93	19	the	the	DET
eurjchem-1364	93	20	formed	form	VERB
eurjchem-1364	93	21	phenyl	phenyl	NOUN
eurjchem-1364	93	22	rings	ring	NOUN
eurjchem-1364	93	23	are	be	AUX
eurjchem-1364	93	24	twisted	twisted	ADJ
eurjchem-1364	93	25	relative	relative	ADJ
eurjchem-1364	93	26	to	to	ADP
eurjchem-1364	93	27	each	each	DET
eurjchem-1364	93	28	other	other	ADJ
eurjchem-1364	93	29	,	,	PUNCT
eurjchem-1364	93	30	figure	figure	VERB
eurjchem-1364	93	31	17	17	NUM
eurjchem-1364	93	32	and	and	CCONJ
eurjchem-1364	93	33	18	18	NUM
eurjchem-1364	93	34	.	.	PUNCT
eurjchem-1364	94	1	the	the	DET
eurjchem-1364	94	2	calculated	calculate	VERB
eurjchem-1364	94	3	activation	activation	NOUN
eurjchem-1364	94	4	energy	energy	NOUN
eurjchem-1364	94	5	is	be	AUX
eurjchem-1364	94	6	191.594	191.594	NUM
eurjchem-1364	94	7	kcal	kcal	NOUN
eurjchem-1364	94	8	/	/	SYM
eurjchem-1364	94	9	mol	mol	PROPN
eurjchem-1364	94	10	.	.	PUNCT
eurjchem-1364	95	1	the	the	DET
eurjchem-1364	95	2	reaction	reaction	NOUN
eurjchem-1364	95	3	ends	end	VERB
eurjchem-1364	95	4	with	with	ADP
eurjchem-1364	95	5	a	a	DET
eurjchem-1364	95	6	triplet	triplet	NOUN
eurjchem-1364	95	7	final	final	ADJ
eurjchem-1364	95	8	product	product	NOUN
eurjchem-1364	95	9	of	of	ADP
eurjchem-1364	95	10	a	a	DET
eurjchem-1364	95	11	similar	similar	ADJ
eurjchem-1364	95	12	conformation	conformation	NOUN
eurjchem-1364	95	13	as	as	ADP
eurjchem-1364	95	14	that	that	PRON
eurjchem-1364	95	15	of	of	ADP
eurjchem-1364	95	16	the	the	DET
eurjchem-1364	95	17	transition	transition	NOUN
eurjchem-1364	95	18	state	state	NOUN
eurjchem-1364	95	19	.	.	PUNCT
eurjchem-1364	96	1	the	the	DET
eurjchem-1364	96	2	calculated	calculate	VERB
eurjchem-1364	96	3	reaction	reaction	NOUN
eurjchem-1364	96	4	energy	energy	NOUN
eurjchem-1364	96	5	is	be	AUX
eurjchem-1364	96	6	er	er	INTJ
eurjchem-1364	96	7	trip	trip	NOUN
eurjchem-1364	96	8	=	=	PUNCT
eurjchem-1364	96	9	182.423	182.423	NUM
eurjchem-1364	96	10	kcal	kcal	PROPN
eurjchem-1364	96	11	/	/	SYM
eurjchem-1364	96	12	mol	mol	PROPN
eurjchem-1364	96	13	.	.	PROPN
eurjchem-1364	97	1	3.1.2	3.1.2	NUM
eurjchem-1364	97	2	.	.	PUNCT
eurjchem-1364	97	3	anthracene	anthracene	VERB
eurjchem-1364	97	4	3.1.2.1	3.1.2.1	NUM
eurjchem-1364	97	5	.	.	PUNCT
eurjchem-1364	98	1	c1‐c2	c1‐c2	PROPN
eurjchem-1364	98	2	bond	bond	NOUN
eurjchem-1364	98	3	cleavage	cleavage	NOUN
eurjchem-1364	98	4	the	the	DET
eurjchem-1364	98	5	cleavage	cleavage	NOUN
eurjchem-1364	98	6	of	of	ADP
eurjchem-1364	98	7	this	this	DET
eurjchem-1364	98	8	bond	bond	NOUN
eurjchem-1364	98	9	proceeds	proceed	VERB
eurjchem-1364	98	10	through	through	ADP
eurjchem-1364	98	11	a	a	DET
eurjchem-1364	98	12	non‐planar	non‐planar	ADJ
eurjchem-1364	98	13	transition	transition	NOUN
eurjchem-1364	98	14	state	state	NOUN
eurjchem-1364	98	15	in	in	ADP
eurjchem-1364	98	16	which	which	PRON
eurjchem-1364	98	17	the	the	DET
eurjchem-1364	98	18	h1	h1	NOUN
eurjchem-1364	98	19	and	and	CCONJ
eurjchem-1364	98	20	h2	h2	NOUN
eurjchem-1364	98	21	atoms	atom	NOUN
eurjchem-1364	98	22	are	be	AUX
eurjchem-1364	98	23	tilted	tilt	VERB
eurjchem-1364	98	24	out	out	ADP
eurjchem-1364	98	25	of	of	ADP
eurjchem-1364	98	26	,	,	PUNCT
eurjchem-1364	98	27	and	and	CCONJ
eurjchem-1364	98	28	to	to	ADP
eurjchem-1364	98	29	the	the	DET
eurjchem-1364	98	30	same	same	ADJ
eurjchem-1364	98	31	side	side	NOUN
eurjchem-1364	98	32	of	of	ADP
eurjchem-1364	98	33	the	the	DET
eurjchem-1364	98	34	molecular	molecular	ADJ
eurjchem-1364	98	35	plane	plane	NOUN
eurjchem-1364	98	36	.	.	PUNCT
eurjchem-1364	99	1	it	it	PRON
eurjchem-1364	99	2	represents	represent	VERB
eurjchem-1364	99	3	a	a	DET
eurjchem-1364	99	4	disrotatoric	disrotatoric	ADJ
eurjchem-1364	99	5	ring	ring	NOUN
eurjchem-1364	99	6	opening	opening	NOUN
eurjchem-1364	99	7	going	go	VERB
eurjchem-1364	99	8	through	through	ADP
eurjchem-1364	99	9	an	an	DET
eurjchem-1364	99	10	aromatic	aromatic	ADJ
eurjchem-1364	99	11	transition	transition	NOUN
eurjchem-1364	99	12	state	state	NOUN
eurjchem-1364	99	13	.	.	PUNCT
eurjchem-1364	100	1	the	the	DET
eurjchem-1364	100	2	transition	transition	NOUN
eurjchem-1364	100	3	state	state	NOUN
eurjchem-1364	100	4	falls	fall	VERB
eurjchem-1364	100	5	at	at	ADP
eurjchem-1364	100	6	a	a	DET
eurjchem-1364	100	7	c1‐c2	c1‐c2	NOUN
eurjchem-1364	100	8	bond	bond	NOUN
eurjchem-1364	100	9	distance	distance	NOUN
eurjchem-1364	100	10	of	of	ADP
eurjchem-1364	100	11	3.5	3.5	NUM
eurjchem-1364	100	12	å	å	NOUN
eurjchem-1364	100	13	.	.	PUNCT
eurjchem-1364	101	1	further	further	ADJ
eurjchem-1364	101	2	progress	progress	NOUN
eurjchem-1364	101	3	of	of	ADP
eurjchem-1364	101	4	the	the	DET
eurjchem-1364	101	5	reaction	reaction	NOUN
eurjchem-1364	101	6	leads	lead	VERB
eurjchem-1364	101	7	to	to	ADP
eurjchem-1364	101	8	a	a	DET
eurjchem-1364	101	9	singlet	singlet	ADJ
eurjchem-1364	101	10	reaction	reaction	NOUN
eurjchem-1364	101	11	product	product	NOUN
eurjchem-1364	101	12	stabilized	stabilize	VERB
eurjchem-1364	101	13	through	through	ADP
eurjchem-1364	101	14	a	a	DET
eurjchem-1364	101	15	shift	shift	NOUN
eurjchem-1364	101	16	of	of	ADP
eurjchem-1364	101	17	a	a	DET
eurjchem-1364	101	18	h	h	NOUN
eurjchem-1364	101	19	atom	atom	NOUN
eurjchem-1364	101	20	from	from	ADP
eurjchem-1364	101	21	c3	c3	PROPN
eurjchem-1364	101	22	to	to	ADP
eurjchem-1364	101	23	c2	c2	PROPN
eurjchem-1364	101	24	forming	form	VERB
eurjchem-1364	101	25	an	an	DET
eurjchem-1364	101	26	allenic	allenic	ADJ
eurjchem-1364	101	27	c2‐c3‐c4	c2‐c3‐c4	PROPN
eurjchem-1364	101	28	group	group	NOUN
eurjchem-1364	101	29	in	in	ADP
eurjchem-1364	101	30	which	which	PRON
eurjchem-1364	101	31	both	both	CCONJ
eurjchem-1364	101	32	h2	h2	NOUN
eurjchem-1364	101	33	and	and	CCONJ
eurjchem-1364	101	34	h3	h3	NOUN
eurjchem-1364	101	35	are	be	AUX
eurjchem-1364	101	36	twisted	twist	VERB
eurjchem-1364	101	37	out	out	ADP
eurjchem-1364	101	38	of	of	ADP
eurjchem-1364	101	39	the	the	DET
eurjchem-1364	101	40	molecular	molecular	ADJ
eurjchem-1364	101	41	plane	plane	NOUN
eurjchem-1364	101	42	.	.	PUNCT
eurjchem-1364	102	1	172	172	NUM
eurjchem-1364	102	2	shanshal	shanshal	NOUN
eurjchem-1364	102	3	et	et	PROPN
eurjchem-1364	102	4	al	al	PROPN
eurjchem-1364	102	5	.	.	PUNCT
eurjchem-1364	102	6	/	/	SYM
eurjchem-1364	102	7	european	european	PROPN
eurjchem-1364	102	8	journal	journal	PROPN
eurjchem-1364	102	9	of	of	ADP
eurjchem-1364	102	10	chemistry	chemistry	NOUN
eurjchem-1364	102	11	7	7	NUM
eurjchem-1364	102	12	(	(	PUNCT
eurjchem-1364	102	13	2	2	NUM
eurjchem-1364	102	14	)	)	PUNCT
eurjchem-1364	102	15	(	(	PUNCT
eurjchem-1364	102	16	2016	2016	NUM
eurjchem-1364	102	17	)	)	PUNCT
eurjchem-1364	102	18	166‐175	166‐175	NUM
eurjchem-1364	102	19	figure	figure	NOUN
eurjchem-1364	102	20	13	13	NUM
eurjchem-1364	102	21	.	.	PUNCT
eurjchem-1364	103	1	calculated	calculate	VERB
eurjchem-1364	103	2	reaction	reaction	NOUN
eurjchem-1364	103	3	path	path	NOUN
eurjchem-1364	103	4	of	of	ADP
eurjchem-1364	103	5	the	the	DET
eurjchem-1364	103	6	c4a‐c10a	c4a‐c10a	PUNCT
eurjchem-1364	103	7	bond	bond	NOUN
eurjchem-1364	103	8	cleavage	cleavage	NOUN
eurjchem-1364	103	9	in	in	ADP
eurjchem-1364	103	10	phenanthrene	phenanthrene	NOUN
eurjchem-1364	103	11	,	,	PUNCT
eurjchem-1364	103	12	ea	ea	X
eurjchem-1364	103	13	=	=	SYM
eurjchem-1364	103	14	157.392	157.392	NUM
eurjchem-1364	103	15	kcal	kcal	NOUN
eurjchem-1364	103	16	/	/	SYM
eurjchem-1364	103	17	mol	mol	PROPN
eurjchem-1364	103	18	,	,	PUNCT
eurjchem-1364	103	19	er	er	INTJ
eurjchem-1364	103	20	singlet	singlet	NOUN
eurjchem-1364	103	21	=	=	PUNCT
eurjchem-1364	103	22	126.671	126.671	NUM
eurjchem-1364	103	23	kcal	kcal	PROPN
eurjchem-1364	103	24	/	/	SYM
eurjchem-1364	103	25	mol	mol	PROPN
eurjchem-1364	103	26	,	,	PUNCT
eurjchem-1364	103	27	er	er	INTJ
eurjchem-1364	103	28	triplet	triplet	NOUN
eurjchem-1364	103	29	=	=	SYM
eurjchem-1364	103	30	139.462	139.462	NUM
eurjchem-1364	103	31	kcal	kcal	PROPN
eurjchem-1364	103	32	/	/	SYM
eurjchem-1364	103	33	mol	mol	PROPN
eurjchem-1364	103	34	.	.	PROPN
eurjchem-1364	103	35	figure	figure	NOUN
eurjchem-1364	103	36	14	14	NUM
eurjchem-1364	103	37	.	.	PUNCT
eurjchem-1364	104	1	calculated	calculate	VERB
eurjchem-1364	104	2	structures	structure	NOUN
eurjchem-1364	104	3	of	of	ADP
eurjchem-1364	104	4	the	the	DET
eurjchem-1364	104	5	transition	transition	NOUN
eurjchem-1364	104	6	state	state	NOUN
eurjchem-1364	104	7	,	,	PUNCT
eurjchem-1364	104	8	the	the	DET
eurjchem-1364	104	9	singlet	singlet	NOUN
eurjchem-1364	104	10	and	and	CCONJ
eurjchem-1364	104	11	the	the	DET
eurjchem-1364	104	12	triplet	triplet	NOUN
eurjchem-1364	104	13	reaction	reaction	NOUN
eurjchem-1364	104	14	products	product	NOUN
eurjchem-1364	104	15	of	of	ADP
eurjchem-1364	104	16	the	the	DET
eurjchem-1364	104	17	c4a‐c10a	c4a‐c10a	PUNCT
eurjchem-1364	104	18	bond	bond	NOUN
eurjchem-1364	104	19	cleavage	cleavage	NOUN
eurjchem-1364	104	20	in	in	ADP
eurjchem-1364	104	21	phenanthrene	phenanthrene	NOUN
eurjchem-1364	104	22	.	.	PUNCT
eurjchem-1364	105	1	figure	figure	VERB
eurjchem-1364	105	2	15	15	NUM
eurjchem-1364	105	3	.	.	PUNCT
eurjchem-1364	106	1	reaction	reaction	NOUN
eurjchem-1364	106	2	path	path	NOUN
eurjchem-1364	106	3	of	of	ADP
eurjchem-1364	106	4	thec8a‐c9	thec8a‐c9	PROPN
eurjchem-1364	106	5	bond	bond	NOUN
eurjchem-1364	106	6	cleavage	cleavage	NOUN
eurjchem-1364	106	7	in	in	ADP
eurjchem-1364	106	8	phenanthrene	phenanthrene	NOUN
eurjchem-1364	106	9	,	,	PUNCT
eurjchem-1364	106	10	ea	ea	X
eurjchem-1364	106	11	=	=	SYM
eurjchem-1364	106	12	169.751	169.751	NUM
eurjchem-1364	106	13	kcal	kcal	PROPN
eurjchem-1364	106	14	/	/	SYM
eurjchem-1364	106	15	mol	mol	PROPN
eurjchem-1364	106	16	,	,	PUNCT
eurjchem-1364	106	17	er	er	INTJ
eurjchem-1364	106	18	singlet	singlet	NOUN
eurjchem-1364	106	19	=	=	NOUN
eurjchem-1364	106	20	97.2962	97.2962	NUM
eurjchem-1364	106	21	kcal	kcal	PROPN
eurjchem-1364	106	22	/	/	SYM
eurjchem-1364	106	23	mol	mol	PROPN
eurjchem-1364	106	24	,	,	PUNCT
eurjchem-1364	106	25	er	er	INTJ
eurjchem-1364	106	26	triplet	triplet	NOUN
eurjchem-1364	106	27	=	=	SYM
eurjchem-1364	106	28	132.336	132.336	NUM
eurjchem-1364	106	29	kcal	kcal	PROPN
eurjchem-1364	106	30	/	/	SYM
eurjchem-1364	106	31	mol	mol	PROPN
eurjchem-1364	106	32	.	.	PROPN
eurjchem-1364	107	1	shanshal	shanshal	PROPN
eurjchem-1364	107	2	et	et	PROPN
eurjchem-1364	107	3	al	al	PROPN
eurjchem-1364	107	4	.	.	PUNCT
eurjchem-1364	107	5	/	/	SYM
eurjchem-1364	107	6	european	european	PROPN
eurjchem-1364	107	7	journal	journal	PROPN
eurjchem-1364	107	8	of	of	ADP
eurjchem-1364	107	9	chemistry	chemistry	NOUN
eurjchem-1364	107	10	7	7	NUM
eurjchem-1364	107	11	(	(	PUNCT
eurjchem-1364	107	12	2	2	NUM
eurjchem-1364	107	13	)	)	PUNCT
eurjchem-1364	107	14	(	(	PUNCT
eurjchem-1364	107	15	2016	2016	NUM
eurjchem-1364	107	16	)	)	PUNCT
eurjchem-1364	108	1	166‐175	166‐175	PROPN
eurjchem-1364	108	2	173	173	NUM
eurjchem-1364	108	3	figure	figure	NOUN
eurjchem-1364	108	4	16	16	NUM
eurjchem-1364	108	5	.	.	PUNCT
eurjchem-1364	109	1	calculated	calculate	VERB
eurjchem-1364	109	2	geometries	geometry	NOUN
eurjchem-1364	109	3	of	of	ADP
eurjchem-1364	109	4	the	the	DET
eurjchem-1364	109	5	transition	transition	NOUN
eurjchem-1364	109	6	state	state	NOUN
eurjchem-1364	109	7	,	,	PUNCT
eurjchem-1364	109	8	the	the	DET
eurjchem-1364	109	9	singlet	singlet	NOUN
eurjchem-1364	109	10	and	and	CCONJ
eurjchem-1364	109	11	the	the	DET
eurjchem-1364	109	12	triplet	triplet	NOUN
eurjchem-1364	109	13	reaction	reaction	NOUN
eurjchem-1364	109	14	products	product	NOUN
eurjchem-1364	109	15	of	of	ADP
eurjchem-1364	109	16	the	the	DET
eurjchem-1364	109	17	c8a‐c9	c8a‐c9	PROPN
eurjchem-1364	109	18	bond	bond	NOUN
eurjchem-1364	109	19	cleavage	cleavage	NOUN
eurjchem-1364	109	20	reaction	reaction	NOUN
eurjchem-1364	109	21	in	in	ADP
eurjchem-1364	109	22	phenanthrene	phenanthrene	NOUN
eurjchem-1364	109	23	.	.	PUNCT
eurjchem-1364	110	1	figure	figure	NOUN
eurjchem-1364	110	2	17	17	NUM
eurjchem-1364	110	3	.	.	PUNCT
eurjchem-1364	111	1	calculated	calculate	VERB
eurjchem-1364	111	2	reaction	reaction	NOUN
eurjchem-1364	111	3	path	path	NOUN
eurjchem-1364	111	4	for	for	ADP
eurjchem-1364	111	5	the	the	DET
eurjchem-1364	111	6	c9‐c10	c9‐c10	PROPN
eurjchem-1364	111	7	bond	bond	NOUN
eurjchem-1364	111	8	cleavage	cleavage	NOUN
eurjchem-1364	111	9	in	in	ADP
eurjchem-1364	111	10	phenanthrene	phenanthrene	NOUN
eurjchem-1364	111	11	,	,	PUNCT
eurjchem-1364	111	12	ea	ea	X
eurjchem-1364	111	13	=	=	SYM
eurjchem-1364	111	14	191.594	191.594	NUM
eurjchem-1364	111	15	kcal	kcal	NOUN
eurjchem-1364	111	16	/	/	SYM
eurjchem-1364	111	17	mol	mol	PROPN
eurjchem-1364	111	18	,	,	PUNCT
eurjchem-1364	111	19	er	er	INTJ
eurjchem-1364	111	20	triplet	triplet	NOUN
eurjchem-1364	111	21	=	=	SYM
eurjchem-1364	111	22	182.423	182.423	NUM
eurjchem-1364	111	23	kcal	kcal	PROPN
eurjchem-1364	111	24	/	/	SYM
eurjchem-1364	111	25	mol	mol	PROPN
eurjchem-1364	111	26	.	.	PROPN
eurjchem-1364	111	27	figure	figure	NOUN
eurjchem-1364	111	28	18	18	NUM
eurjchem-1364	111	29	.	.	PUNCT
eurjchem-1364	111	30	calculated	calculate	VERB
eurjchem-1364	111	31	geometries	geometry	NOUN
eurjchem-1364	111	32	of	of	ADP
eurjchem-1364	111	33	the	the	DET
eurjchem-1364	111	34	transition	transition	NOUN
eurjchem-1364	111	35	state	state	NOUN
eurjchem-1364	111	36	and	and	CCONJ
eurjchem-1364	111	37	triplet	triplet	NOUN
eurjchem-1364	111	38	reaction	reaction	NOUN
eurjchem-1364	111	39	product	product	NOUN
eurjchem-1364	111	40	of	of	ADP
eurjchem-1364	111	41	the	the	DET
eurjchem-1364	111	42	c9‐c10	c9‐c10	PROPN
eurjchem-1364	111	43	bond	bond	NOUN
eurjchem-1364	111	44	cleavage	cleavage	NOUN
eurjchem-1364	111	45	in	in	ADP
eurjchem-1364	111	46	phenanthrene	phenanthrene	NOUN
eurjchem-1364	111	47	.	.	PUNCT
eurjchem-1364	112	1	the	the	DET
eurjchem-1364	112	2	triplet	triplet	NOUN
eurjchem-1364	112	3	reaction	reaction	NOUN
eurjchem-1364	112	4	path	path	NOUN
eurjchem-1364	112	5	shows	show	VERB
eurjchem-1364	112	6	no	no	DET
eurjchem-1364	112	7	such	such	ADJ
eurjchem-1364	112	8	h	h	NOUN
eurjchem-1364	112	9	shift	shift	NOUN
eurjchem-1364	112	10	and	and	CCONJ
eurjchem-1364	112	11	ends	end	VERB
eurjchem-1364	112	12	up	up	ADP
eurjchem-1364	112	13	with	with	ADP
eurjchem-1364	112	14	a	a	DET
eurjchem-1364	112	15	reaction	reaction	NOUN
eurjchem-1364	112	16	product	product	NOUN
eurjchem-1364	112	17	that	that	PRON
eurjchem-1364	112	18	is	be	AUX
eurjchem-1364	112	19	more	more	ADV
eurjchem-1364	112	20	stable	stable	ADJ
eurjchem-1364	112	21	than	than	ADP
eurjchem-1364	112	22	the	the	DET
eurjchem-1364	112	23	singlet	singlet	ADJ
eurjchem-1364	112	24	reaction	reaction	NOUN
eurjchem-1364	112	25	product	product	NOUN
eurjchem-1364	112	26	.	.	PUNCT
eurjchem-1364	113	1	the	the	DET
eurjchem-1364	113	2	calculated	calculate	VERB
eurjchem-1364	113	3	activation	activation	NOUN
eurjchem-1364	113	4	energy	energy	NOUN
eurjchem-1364	113	5	of	of	ADP
eurjchem-1364	113	6	the	the	DET
eurjchem-1364	113	7	reaction	reaction	NOUN
eurjchem-1364	113	8	is	be	AUX
eurjchem-1364	113	9	192.507	192.507	NUM
eurjchem-1364	113	10	kcal	kcal	NOUN
eurjchem-1364	113	11	/	/	SYM
eurjchem-1364	113	12	mol	mol	PROPN
eurjchem-1364	113	13	,	,	PUNCT
eurjchem-1364	113	14	the	the	DET
eurjchem-1364	113	15	singlet	singlet	ADJ
eurjchem-1364	113	16	product	product	NOUN
eurjchem-1364	113	17	reaction	reaction	NOUN
eurjchem-1364	113	18	energy	energy	NOUN
eurjchem-1364	113	19	is	be	AUX
eurjchem-1364	113	20	122.311	122.311	NUM
eurjchem-1364	113	21	kcal	kcal	NOUN
eurjchem-1364	113	22	/	/	SYM
eurjchem-1364	113	23	mol	mol	ADP
eurjchem-1364	113	24	and	and	CCONJ
eurjchem-1364	113	25	triplet	triplet	NOUN
eurjchem-1364	113	26	product	product	NOUN
eurjchem-1364	113	27	reaction	reaction	NOUN
eurjchem-1364	113	28	energy	energy	NOUN
eurjchem-1364	113	29	is	be	AUX
eurjchem-1364	113	30	116.794	116.794	NUM
eurjchem-1364	113	31	kcal	kcal	PROPN
eurjchem-1364	113	32	/	/	SYM
eurjchem-1364	113	33	mol	mol	PROPN
eurjchem-1364	113	34	.	.	PUNCT
eurjchem-1364	114	1	3.1.2.2	3.1.2.2	NUM
eurjchem-1364	114	2	.	.	PUNCT
eurjchem-1364	114	3	c2‐c3	c2‐c3	VERB
eurjchem-1364	114	4	bond	bond	NOUN
eurjchem-1364	114	5	cleavage	cleavage	NOUN
eurjchem-1364	114	6	unlike	unlike	ADP
eurjchem-1364	114	7	the	the	DET
eurjchem-1364	114	8	c1‐c2	c1‐c2	NOUN
eurjchem-1364	114	9	bond	bond	NOUN
eurjchem-1364	114	10	cleavage	cleavage	NOUN
eurjchem-1364	114	11	reaction	reaction	NOUN
eurjchem-1364	114	12	,	,	PUNCT
eurjchem-1364	114	13	the	the	DET
eurjchem-1364	114	14	c2‐c3	c2‐c3	NOUN
eurjchem-1364	114	15	reaction	reaction	NOUN
eurjchem-1364	114	16	proceeds	proceed	NOUN
eurjchem-1364	114	17	towards	towards	ADP
eurjchem-1364	114	18	a	a	DET
eurjchem-1364	114	19	singlet	singlet	ADJ
eurjchem-1364	114	20	reaction	reaction	NOUN
eurjchem-1364	114	21	product	product	NOUN
eurjchem-1364	114	22	that	that	PRON
eurjchem-1364	114	23	is	be	AUX
eurjchem-1364	114	24	more	more	ADV
eurjchem-1364	114	25	stable	stable	ADJ
eurjchem-1364	114	26	than	than	ADP
eurjchem-1364	114	27	the	the	DET
eurjchem-1364	114	28	triplet	triplet	NOUN
eurjchem-1364	114	29	rp	rp	NOUN
eurjchem-1364	114	30	by	by	ADP
eurjchem-1364	114	31	41.650	41.650	NUM
eurjchem-1364	114	32	kcal	kcal	ADJ
eurjchem-1364	114	33	/	/	SYM
eurjchem-1364	114	34	mol	mol	PROPN
eurjchem-1364	114	35	.	.	PUNCT
eurjchem-1364	115	1	the	the	DET
eurjchem-1364	115	2	structure	structure	NOUN
eurjchem-1364	115	3	of	of	ADP
eurjchem-1364	115	4	the	the	DET
eurjchem-1364	115	5	transition	transition	NOUN
eurjchem-1364	115	6	state	state	NOUN
eurjchem-1364	115	7	is	be	AUX
eurjchem-1364	115	8	depicted	depict	VERB
eurjchem-1364	115	9	by	by	ADP
eurjchem-1364	115	10	the	the	DET
eurjchem-1364	115	11	synchronized	synchronize	VERB
eurjchem-1364	115	12	out	out	ADP
eurjchem-1364	115	13	of	of	ADP
eurjchem-1364	115	14	plane	plane	NOUN
eurjchem-1364	115	15	deformation	deformation	NOUN
eurjchem-1364	115	16	of	of	ADP
eurjchem-1364	115	17	the	the	DET
eurjchem-1364	115	18	c2h2	c2h2	PROPN
eurjchem-1364	115	19	and	and	CCONJ
eurjchem-1364	115	20	c3h3	c3h3	X
eurjchem-1364	115	21	moieties	moiety	NOUN
eurjchem-1364	115	22	in	in	ADP
eurjchem-1364	115	23	terms	term	NOUN
eurjchem-1364	115	24	of	of	ADP
eurjchem-1364	115	25	a	a	DET
eurjchem-1364	115	26	disrotatoric	disrotatoric	ADJ
eurjchem-1364	115	27	opening	opening	NOUN
eurjchem-1364	115	28	of	of	ADP
eurjchem-1364	115	29	the	the	DET
eurjchem-1364	115	30	6‐ring	6‐ring	NOUN
eurjchem-1364	115	31	and	and	CCONJ
eurjchem-1364	115	32	the	the	DET
eurjchem-1364	115	33	formation	formation	NOUN
eurjchem-1364	115	34	of	of	ADP
eurjchem-1364	115	35	an	an	DET
eurjchem-1364	115	36	aromatic	aromatic	ADJ
eurjchem-1364	115	37	transition	transition	NOUN
eurjchem-1364	115	38	state	state	NOUN
eurjchem-1364	116	1	[	[	X
eurjchem-1364	116	2	7	7	NUM
eurjchem-1364	116	3	]	]	PUNCT
eurjchem-1364	116	4	.	.	PUNCT
eurjchem-1364	117	1	the	the	DET
eurjchem-1364	117	2	obtained	obtain	VERB
eurjchem-1364	117	3	data	data	NOUN
eurjchem-1364	117	4	shows	show	VERB
eurjchem-1364	117	5	that	that	SCONJ
eurjchem-1364	117	6	the	the	DET
eurjchem-1364	117	7	reaction	reaction	NOUN
eurjchem-1364	117	8	proceeds	proceed	VERB
eurjchem-1364	117	9	towards	towards	ADP
eurjchem-1364	117	10	a	a	DET
eurjchem-1364	117	11	completely	completely	ADV
eurjchem-1364	117	12	coplanar	coplanar	ADJ
eurjchem-1364	117	13	and	and	CCONJ
eurjchem-1364	117	14	more	more	ADV
eurjchem-1364	117	15	stable	stable	ADJ
eurjchem-1364	117	16	singlet	singlet	NOUN
eurjchem-1364	117	17	reaction	reaction	NOUN
eurjchem-1364	117	18	product	product	NOUN
eurjchem-1364	117	19	in	in	ADP
eurjchem-1364	117	20	which	which	PRON
eurjchem-1364	117	21	the	the	DET
eurjchem-1364	117	22	neighbored	neighbored	ADJ
eurjchem-1364	117	23	h1	h1	NOUN
eurjchem-1364	117	24	and	and	CCONJ
eurjchem-1364	117	25	h4	h4	PROPN
eurjchem-1364	117	26	atoms	atom	NOUN
eurjchem-1364	117	27	are	be	AUX
eurjchem-1364	117	28	shifted	shift	VERB
eurjchem-1364	117	29	simultaneously	simultaneously	ADV
eurjchem-1364	117	30	to	to	PART
eurjchem-1364	117	31	form	form	VERB
eurjchem-1364	117	32	the	the	DET
eurjchem-1364	117	33	two	two	NUM
eurjchem-1364	117	34	terminal	terminal	ADJ
eurjchem-1364	117	35	ch2	ch2	NOUN
eurjchem-1364	117	36	groups	group	NOUN
eurjchem-1364	117	37	.	.	PUNCT
eurjchem-1364	118	1	no	no	DET
eurjchem-1364	118	2	such	such	ADJ
eurjchem-1364	118	3	h	h	NOUN
eurjchem-1364	118	4	shift	shift	NOUN
eurjchem-1364	118	5	was	be	AUX
eurjchem-1364	118	6	calculated	calculate	VERB
eurjchem-1364	118	7	for	for	ADP
eurjchem-1364	118	8	the	the	DET
eurjchem-1364	118	9	less	less	ADV
eurjchem-1364	118	10	stable	stable	ADJ
eurjchem-1364	118	11	triplet	triplet	NOUN
eurjchem-1364	118	12	product	product	NOUN
eurjchem-1364	118	13	.	.	PUNCT
eurjchem-1364	119	1	the	the	DET
eurjchem-1364	119	2	singlet	singlet	ADJ
eurjchem-1364	119	3	reaction	reaction	NOUN
eurjchem-1364	119	4	product	product	NOUN
eurjchem-1364	119	5	conforms	conform	VERB
eurjchem-1364	119	6	to	to	ADP
eurjchem-1364	119	7	a	a	DET
eurjchem-1364	119	8	c2v	c2v	NOUN
eurjchem-1364	119	9	symmetry	symmetry	NOUN
eurjchem-1364	119	10	.	.	PUNCT
eurjchem-1364	120	1	in	in	ADP
eurjchem-1364	120	2	fact	fact	NOUN
eurjchem-1364	120	3	main‐	main‐	ADV
eurjchem-1364	120	4	taining	taine	VERB
eurjchem-1364	120	5	the	the	DET
eurjchem-1364	120	6	symmetry	symmetry	NOUN
eurjchem-1364	120	7	throughout	throughout	ADP
eurjchem-1364	120	8	the	the	DET
eurjchem-1364	120	9	reaction	reaction	NOUN
eurjchem-1364	120	10	is	be	AUX
eurjchem-1364	120	11	confirmed	confirm	VERB
eurjchem-1364	120	12	by	by	ADP
eurjchem-1364	120	13	the	the	DET
eurjchem-1364	120	14	similar	similar	ADJ
eurjchem-1364	120	15	electron	electron	NOUN
eurjchem-1364	120	16	density	density	NOUN
eurjchem-1364	120	17	values	value	NOUN
eurjchem-1364	120	18	calculated	calculate	VERB
eurjchem-1364	120	19	for	for	ADP
eurjchem-1364	120	20	c2	c2	PROPN
eurjchem-1364	120	21	and	and	CCONJ
eurjchem-1364	120	22	c3	c3	PROPN
eurjchem-1364	120	23	atoms	atom	NOUN
eurjchem-1364	120	24	along	along	ADP
eurjchem-1364	120	25	the	the	DET
eurjchem-1364	120	26	reaction	reaction	NOUN
eurjchem-1364	120	27	path	path	NOUN
eurjchem-1364	120	28	.	.	PUNCT
eurjchem-1364	121	1	3.1.2.3	3.1.2.3	NUM
eurjchem-1364	121	2	.	.	X
eurjchem-1364	121	3	c1‐c9a	c1‐c9a	NOUN
eurjchem-1364	121	4	bond	bond	NOUN
eurjchem-1364	121	5	cleavage	cleavage	NOUN
eurjchem-1364	121	6	the	the	DET
eurjchem-1364	121	7	reaction	reaction	NOUN
eurjchem-1364	121	8	path	path	NOUN
eurjchem-1364	121	9	for	for	ADP
eurjchem-1364	121	10	the	the	DET
eurjchem-1364	121	11	c1‐c9a	c1‐c9a	NOUN
eurjchem-1364	121	12	bond	bond	NOUN
eurjchem-1364	121	13	cleavage	cleavage	NOUN
eurjchem-1364	121	14	reaction	reaction	NOUN
eurjchem-1364	121	15	is	be	AUX
eurjchem-1364	121	16	calculated	calculate	VERB
eurjchem-1364	121	17	,	,	PUNCT
eurjchem-1364	121	18	it	it	PRON
eurjchem-1364	121	19	is	be	AUX
eurjchem-1364	121	20	seen	see	VERB
eurjchem-1364	121	21	that	that	SCONJ
eurjchem-1364	121	22	beyond	beyond	ADP
eurjchem-1364	121	23	the	the	DET
eurjchem-1364	121	24	(	(	PUNCT
eurjchem-1364	121	25	s	s	PROPN
eurjchem-1364	121	26	,	,	PUNCT
eurjchem-1364	121	27	ts	ts	NOUN
eurjchem-1364	121	28	)	)	PUNCT
eurjchem-1364	121	29	a	a	DET
eurjchem-1364	121	30	(	(	PUNCT
eurjchem-1364	121	31	s	s	NOUN
eurjchem-1364	121	32	)	)	PUNCT
eurjchem-1364	121	33	reaction	reaction	NOUN
eurjchem-1364	121	34	product	product	NOUN
eurjchem-1364	121	35	,	,	PUNCT
eurjchem-1364	121	36	more	more	ADV
eurjchem-1364	121	37	stable	stable	ADJ
eurjchem-1364	121	38	than	than	SCONJ
eurjchem-1364	121	39	the	the	DET
eurjchem-1364	121	40	triplet	triplet	NOUN
eurjchem-1364	121	41	product	product	NOUN
eurjchem-1364	121	42	is	be	AUX
eurjchem-1364	121	43	formed	form	VERB
eurjchem-1364	121	44	.	.	PUNCT
eurjchem-1364	122	1	the	the	DET
eurjchem-1364	122	2	calculated	calculate	VERB
eurjchem-1364	122	3	activation	activation	NOUN
eurjchem-1364	122	4	energy	energy	NOUN
eurjchem-1364	122	5	for	for	ADP
eurjchem-1364	122	6	the	the	DET
eurjchem-1364	122	7	reaction	reaction	NOUN
eurjchem-1364	122	8	is	be	AUX
eurjchem-1364	122	9	158.812	158.812	NUM
eurjchem-1364	122	10	kcal	kcal	PROPN
eurjchem-1364	122	11	/	/	SYM
eurjchem-1364	122	12	mol	mol	PROPN
eurjchem-1364	122	13	,	,	PUNCT
eurjchem-1364	122	14	the	the	DET
eurjchem-1364	122	15	calculated	calculated	ADJ
eurjchem-1364	122	16	reaction	reaction	NOUN
eurjchem-1364	122	17	energy	energy	NOUN
eurjchem-1364	122	18	is	be	AUX
eurjchem-1364	122	19	97.717	97.717	NUM
eurjchem-1364	122	20	kcal	kcal	NOUN
eurjchem-1364	122	21	/	/	SYM
eurjchem-1364	122	22	mol	mol	NOUN
eurjchem-1364	122	23	for	for	ADP
eurjchem-1364	122	24	the	the	DET
eurjchem-1364	122	25	singlet	singlet	NOUN
eurjchem-1364	122	26	product	product	NOUN
eurjchem-1364	122	27	.	.	PUNCT
eurjchem-1364	123	1	174	174	NUM
eurjchem-1364	123	2	shanshal	shanshal	NOUN
eurjchem-1364	123	3	et	et	PROPN
eurjchem-1364	123	4	al	al	PROPN
eurjchem-1364	123	5	.	.	PUNCT
eurjchem-1364	123	6	/	/	SYM
eurjchem-1364	123	7	european	european	PROPN
eurjchem-1364	123	8	journal	journal	PROPN
eurjchem-1364	123	9	of	of	ADP
eurjchem-1364	123	10	chemistry	chemistry	NOUN
eurjchem-1364	123	11	7	7	NUM
eurjchem-1364	123	12	(	(	PUNCT
eurjchem-1364	123	13	2	2	NUM
eurjchem-1364	123	14	)	)	PUNCT
eurjchem-1364	123	15	(	(	PUNCT
eurjchem-1364	123	16	2016	2016	NUM
eurjchem-1364	123	17	)	)	PUNCT
eurjchem-1364	123	18	166‐175	166‐175	NUM
eurjchem-1364	123	19	figure	figure	NOUN
eurjchem-1364	123	20	19	19	NUM
eurjchem-1364	123	21	.	.	PUNCT
eurjchem-1364	123	22	calculated	calculate	VERB
eurjchem-1364	123	23	reaction	reaction	NOUN
eurjchem-1364	123	24	path	path	NOUN
eurjchem-1364	123	25	for	for	ADP
eurjchem-1364	123	26	the	the	DET
eurjchem-1364	123	27	c1‐h1	c1‐h1	X
eurjchem-1364	123	28	bond	bond	NOUN
eurjchem-1364	123	29	cleavage	cleavage	NOUN
eurjchem-1364	123	30	in	in	ADP
eurjchem-1364	123	31	phenanthrene	phenanthrene	NOUN
eurjchem-1364	123	32	,	,	PUNCT
eurjchem-1364	123	33	ea	ea	X
eurjchem-1364	123	34	=	=	SYM
eurjchem-1364	123	35	163.197	163.197	NUM
eurjchem-1364	123	36	kcal	kcal	NOUN
eurjchem-1364	123	37	/	/	SYM
eurjchem-1364	123	38	mol	mol	PROPN
eurjchem-1364	123	39	,	,	PUNCT
eurjchem-1364	123	40	er	er	INTJ
eurjchem-1364	123	41	triplet	triplet	NOUN
eurjchem-1364	123	42	=	=	VERB
eurjchem-1364	123	43	117.324	117.324	NUM
eurjchem-1364	123	44	kcal	kcal	NOUN
eurjchem-1364	123	45	/	/	SYM
eurjchem-1364	123	46	mol	mol	PROPN
eurjchem-1364	123	47	.	.	PROPN
eurjchem-1364	123	48	figure	figure	NOUN
eurjchem-1364	123	49	20	20	NUM
eurjchem-1364	123	50	.	.	PUNCT
eurjchem-1364	123	51	calculated	calculate	VERB
eurjchem-1364	123	52	structures	structure	NOUN
eurjchem-1364	123	53	of	of	ADP
eurjchem-1364	123	54	the	the	DET
eurjchem-1364	123	55	transition	transition	NOUN
eurjchem-1364	123	56	state	state	NOUN
eurjchem-1364	123	57	and	and	CCONJ
eurjchem-1364	123	58	triplet	triplet	NOUN
eurjchem-1364	123	59	reaction	reaction	NOUN
eurjchem-1364	123	60	product	product	NOUN
eurjchem-1364	123	61	of	of	ADP
eurjchem-1364	123	62	thec1‐h1	thec1‐h1	NUM
eurjchem-1364	123	63	bond	bond	NOUN
eurjchem-1364	123	64	cleavage	cleavage	NOUN
eurjchem-1364	123	65	in	in	ADP
eurjchem-1364	123	66	phenanthrene	phenanthrene	NOUN
eurjchem-1364	123	67	molecule	molecule	NOUN
eurjchem-1364	123	68	.	.	PUNCT
eurjchem-1364	124	1	increasing	increase	VERB
eurjchem-1364	124	2	the	the	DET
eurjchem-1364	124	3	c1	c1	NOUN
eurjchem-1364	124	4	…	…	PUNCT
eurjchem-1364	124	5	c9a	c9a	PROPN
eurjchem-1364	124	6	distance	distance	NOUN
eurjchem-1364	124	7	beyond	beyond	ADP
eurjchem-1364	124	8	3.6	3.6	NUM
eurjchem-1364	124	9	å	å	PROPN
eurjchem-1364	124	10	causes	cause	VERB
eurjchem-1364	124	11	an	an	DET
eurjchem-1364	124	12	increase	increase	NOUN
eurjchem-1364	124	13	in	in	ADP
eurjchem-1364	124	14	energy	energy	NOUN
eurjchem-1364	124	15	,	,	PUNCT
eurjchem-1364	124	16	probably	probably	ADV
eurjchem-1364	124	17	due	due	ADP
eurjchem-1364	124	18	to	to	ADP
eurjchem-1364	124	19	the	the	DET
eurjchem-1364	124	20	increase	increase	NOUN
eurjchem-1364	124	21	in	in	ADP
eurjchem-1364	124	22	the	the	DET
eurjchem-1364	124	23	strain	strain	NOUN
eurjchem-1364	124	24	of	of	ADP
eurjchem-1364	124	25	the	the	DET
eurjchem-1364	124	26	side	side	NOUN
eurjchem-1364	124	27	chain	chain	NOUN
eurjchem-1364	124	28	.	.	PUNCT
eurjchem-1364	125	1	3.1.2.4	3.1.2.4	NUM
eurjchem-1364	125	2	.	.	PUNCT
eurjchem-1364	125	3	c4a‐c9a	c4a‐c9a	ADJ
eurjchem-1364	125	4	bond	bond	NOUN
eurjchem-1364	125	5	cleavage	cleavage	NOUN
eurjchem-1364	125	6	according	accord	VERB
eurjchem-1364	125	7	to	to	ADP
eurjchem-1364	125	8	the	the	DET
eurjchem-1364	125	9	calculated	calculated	ADJ
eurjchem-1364	125	10	reaction	reaction	NOUN
eurjchem-1364	125	11	path	path	NOUN
eurjchem-1364	125	12	for	for	ADP
eurjchem-1364	125	13	c4a‐c9a	c4a‐c9a	ADJ
eurjchem-1364	125	14	bond	bond	NOUN
eurjchem-1364	125	15	,	,	PUNCT
eurjchem-1364	125	16	neither	neither	CCONJ
eurjchem-1364	125	17	a	a	DET
eurjchem-1364	125	18	transition	transition	NOUN
eurjchem-1364	125	19	state	state	NOUN
eurjchem-1364	125	20	nor	nor	CCONJ
eurjchem-1364	125	21	a	a	DET
eurjchem-1364	125	22	stable	stable	ADJ
eurjchem-1364	125	23	reaction	reaction	NOUN
eurjchem-1364	125	24	product	product	NOUN
eurjchem-1364	125	25	should	should	AUX
eurjchem-1364	125	26	be	be	AUX
eurjchem-1364	125	27	formed	form	VERB
eurjchem-1364	125	28	.	.	PUNCT
eurjchem-1364	126	1	a	a	DET
eurjchem-1364	126	2	continuous	continuous	ADJ
eurjchem-1364	126	3	increase	increase	NOUN
eurjchem-1364	126	4	in	in	ADP
eurjchem-1364	126	5	the	the	DET
eurjchem-1364	126	6	molecular	molecular	ADJ
eurjchem-1364	126	7	energy	energy	NOUN
eurjchem-1364	126	8	is	be	AUX
eurjchem-1364	126	9	predicted	predict	VERB
eurjchem-1364	126	10	beyond	beyond	ADP
eurjchem-1364	126	11	the	the	DET
eurjchem-1364	126	12	distance	distance	NOUN
eurjchem-1364	126	13	2.5	2.5	NUM
eurjchem-1364	126	14	å	å	NOUN
eurjchem-1364	126	15	.	.	PUNCT
eurjchem-1364	127	1	apparently	apparently	ADV
eurjchem-1364	127	2	the	the	DET
eurjchem-1364	127	3	increase	increase	NOUN
eurjchem-1364	127	4	in	in	ADP
eurjchem-1364	127	5	this	this	DET
eurjchem-1364	127	6	bond	bond	NOUN
eurjchem-1364	127	7	’s	’s	PART
eurjchem-1364	127	8	length	length	NOUN
eurjchem-1364	127	9	causes	cause	VERB
eurjchem-1364	127	10	a	a	DET
eurjchem-1364	127	11	deformation	deformation	NOUN
eurjchem-1364	127	12	of	of	ADP
eurjchem-1364	127	13	the	the	DET
eurjchem-1364	127	14	c4ac4c3c2c1c9a	c4ac4c3c2c1c9a	NOUN
eurjchem-1364	127	15	fragment	fragment	NOUN
eurjchem-1364	127	16	out	out	ADP
eurjchem-1364	127	17	of	of	ADP
eurjchem-1364	127	18	the	the	DET
eurjchem-1364	127	19	molecular	molecular	ADJ
eurjchem-1364	127	20	plane	plane	NOUN
eurjchem-1364	127	21	and	and	CCONJ
eurjchem-1364	127	22	consequently	consequently	ADV
eurjchem-1364	127	23	an	an	DET
eurjchem-1364	127	24	increase	increase	NOUN
eurjchem-1364	127	25	in	in	ADP
eurjchem-1364	127	26	the	the	DET
eurjchem-1364	127	27	molecular	molecular	ADJ
eurjchem-1364	127	28	strain	strain	NOUN
eurjchem-1364	127	29	energy	energy	NOUN
eurjchem-1364	127	30	.	.	PUNCT
eurjchem-1364	128	1	3.1.2.5	3.1.2.5	NUM
eurjchem-1364	128	2	.	.	PUNCT
eurjchem-1364	128	3	c9‐c9a	c9‐c9a	VERB
eurjchem-1364	128	4	bond	bond	NOUN
eurjchem-1364	128	5	cleavage	cleavage	NOUN
eurjchem-1364	128	6	the	the	DET
eurjchem-1364	128	7	cleavage	cleavage	NOUN
eurjchem-1364	128	8	reaction	reaction	NOUN
eurjchem-1364	128	9	of	of	ADP
eurjchem-1364	128	10	this	this	DET
eurjchem-1364	128	11	bond	bond	NOUN
eurjchem-1364	128	12	proceeds	proceed	VERB
eurjchem-1364	128	13	through	through	ADP
eurjchem-1364	128	14	a	a	DET
eurjchem-1364	128	15	non‐planar	non‐planar	DET
eurjchem-1364	128	16	singlet	singlet	NOUN
eurjchem-1364	128	17	transition	transition	NOUN
eurjchem-1364	128	18	state	state	NOUN
eurjchem-1364	128	19	,	,	PUNCT
eurjchem-1364	128	20	in	in	ADP
eurjchem-1364	128	21	which	which	PRON
eurjchem-1364	128	22	two	two	NUM
eurjchem-1364	128	23	phenyl	phenyl	NOUN
eurjchem-1364	128	24	rings	ring	NOUN
eurjchem-1364	128	25	are	be	AUX
eurjchem-1364	128	26	connected	connect	VERB
eurjchem-1364	128	27	to	to	ADP
eurjchem-1364	128	28	each	each	DET
eurjchem-1364	128	29	other	other	ADJ
eurjchem-1364	128	30	,	,	PUNCT
eurjchem-1364	128	31	in	in	ADP
eurjchem-1364	128	32	a	a	DET
eurjchem-1364	128	33	skew	skew	ADJ
eurjchem-1364	128	34	form	form	NOUN
eurjchem-1364	128	35	and	and	CCONJ
eurjchem-1364	128	36	through	through	ADP
eurjchem-1364	128	37	a	a	DET
eurjchem-1364	128	38	methyne	methyne	PROPN
eurjchem-1364	128	39	hc	hc	PROPN
eurjchem-1364	128	40	group	group	NOUN
eurjchem-1364	128	41	.	.	PUNCT
eurjchem-1364	129	1	the	the	DET
eurjchem-1364	129	2	calculated	calculate	VERB
eurjchem-1364	129	3	activation	activation	NOUN
eurjchem-1364	129	4	energy	energy	NOUN
eurjchem-1364	129	5	is	be	AUX
eurjchem-1364	129	6	202.866	202.866	NUM
eurjchem-1364	129	7	kcal	kcal	NOUN
eurjchem-1364	129	8	/	/	SYM
eurjchem-1364	129	9	mol	mol	PROPN
eurjchem-1364	129	10	and	and	CCONJ
eurjchem-1364	129	11	the	the	DET
eurjchem-1364	129	12	reaction	reaction	NOUN
eurjchem-1364	129	13	energy	energy	NOUN
eurjchem-1364	129	14	for	for	ADP
eurjchem-1364	129	15	the	the	DET
eurjchem-1364	129	16	singlet	singlet	NOUN
eurjchem-1364	129	17	product	product	NOUN
eurjchem-1364	129	18	is	be	AUX
eurjchem-1364	129	19	156.976	156.976	NUM
eurjchem-1364	129	20	kcal	kcal	NOUN
eurjchem-1364	129	21	/	/	SYM
eurjchem-1364	129	22	mol	mol	NOUN
eurjchem-1364	129	23	and	and	CCONJ
eurjchem-1364	129	24	for	for	ADP
eurjchem-1364	129	25	the	the	DET
eurjchem-1364	129	26	triplet	triplet	NOUN
eurjchem-1364	129	27	state	state	NOUN
eurjchem-1364	129	28	226.887	226.887	NUM
eurjchem-1364	129	29	kcal	kcal	PROPN
eurjchem-1364	129	30	/	/	SYM
eurjchem-1364	129	31	mol	mol	PROPN
eurjchem-1364	129	32	.	.	PUNCT
eurjchem-1364	130	1	the	the	DET
eurjchem-1364	130	2	structure	structure	NOUN
eurjchem-1364	130	3	of	of	ADP
eurjchem-1364	130	4	the	the	DET
eurjchem-1364	130	5	singlet	singlet	ADJ
eurjchem-1364	130	6	reaction	reaction	NOUN
eurjchem-1364	130	7	product	product	NOUN
eurjchem-1364	130	8	includes	include	VERB
eurjchem-1364	130	9	an	an	DET
eurjchem-1364	130	10	allenic	allenic	ADJ
eurjchem-1364	130	11	bond	bond	NOUN
eurjchem-1364	130	12	ending	end	VERB
eurjchem-1364	130	13	with	with	ADP
eurjchem-1364	130	14	a	a	DET
eurjchem-1364	130	15	c	c	NOUN
eurjchem-1364	130	16	,	,	PUNCT
eurjchem-1364	130	17	pentadienyl	pentadienyl	NOUN
eurjchem-1364	130	18	ring	ring	NOUN
eurjchem-1364	130	19	that	that	PRON
eurjchem-1364	130	20	is	be	AUX
eurjchem-1364	130	21	formed	form	VERB
eurjchem-1364	130	22	from	from	ADP
eurjchem-1364	130	23	the	the	DET
eurjchem-1364	130	24	original	original	ADJ
eurjchem-1364	130	25	phenyl	phenyl	NOUN
eurjchem-1364	130	26	ring	ring	NOUN
eurjchem-1364	130	27	through	through	ADP
eurjchem-1364	130	28	the	the	DET
eurjchem-1364	130	29	release	release	NOUN
eurjchem-1364	130	30	of	of	ADP
eurjchem-1364	130	31	its	its	PRON
eurjchem-1364	130	32	c4a	c4a	ADJ
eurjchem-1364	130	33	atom	atom	NOUN
eurjchem-1364	130	34	for	for	ADP
eurjchem-1364	130	35	the	the	DET
eurjchem-1364	130	36	favor	favor	NOUN
eurjchem-1364	130	37	of	of	ADP
eurjchem-1364	130	38	the	the	DET
eurjchem-1364	130	39	allene	allene	NOUN
eurjchem-1364	130	40	bond	bond	NOUN
eurjchem-1364	130	41	formation	formation	NOUN
eurjchem-1364	130	42	.	.	PUNCT
eurjchem-1364	131	1	the	the	DET
eurjchem-1364	131	2	calculated	calculate	VERB
eurjchem-1364	131	3	structure	structure	NOUN
eurjchem-1364	131	4	of	of	ADP
eurjchem-1364	131	5	the	the	DET
eurjchem-1364	131	6	triplet	triplet	NOUN
eurjchem-1364	131	7	reaction	reaction	NOUN
eurjchem-1364	131	8	product	product	NOUN
eurjchem-1364	131	9	includes	include	VERB
eurjchem-1364	131	10	a	a	DET
eurjchem-1364	131	11	bicycle	bicycle	NOUN
eurjchem-1364	131	12	,	,	PUNCT
eurjchem-1364	131	13	hexadienyl	hexadienyl	PROPN
eurjchem-1364	131	14	ring	ring	NOUN
eurjchem-1364	131	15	.	.	PUNCT
eurjchem-1364	132	1	3.2	3.2	NUM
eurjchem-1364	132	2	.	.	PUNCT
eurjchem-1364	133	1	cleavage	cleavage	NOUN
eurjchem-1364	133	2	reactions	reaction	NOUN
eurjchem-1364	133	3	of	of	ADP
eurjchem-1364	133	4	the	the	DET
eurjchem-1364	133	5	c‐h	c‐h	PROPN
eurjchem-1364	133	6	bonds	bond	NOUN
eurjchem-1364	133	7	in	in	ADP
eurjchem-1364	133	8	general	general	ADJ
eurjchem-1364	133	9	the	the	DET
eurjchem-1364	133	10	dft	dft	PROPN
eurjchem-1364	133	11	calculation	calculation	NOUN
eurjchem-1364	133	12	for	for	ADP
eurjchem-1364	133	13	the	the	DET
eurjchem-1364	133	14	cleavage	cleavage	NOUN
eurjchem-1364	133	15	reactions	reaction	NOUN
eurjchem-1364	133	16	of	of	ADP
eurjchem-1364	133	17	the	the	DET
eurjchem-1364	133	18	c‐h	c‐h	PROPN
eurjchem-1364	133	19	bonds	bond	NOUN
eurjchem-1364	133	20	in	in	ADP
eurjchem-1364	133	21	both	both	DET
eurjchem-1364	133	22	molecules	molecule	NOUN
eurjchem-1364	133	23	yielded	yield	VERB
eurjchem-1364	133	24	reaction	reaction	NOUN
eurjchem-1364	133	25	paths	path	NOUN
eurjchem-1364	133	26	of	of	ADP
eurjchem-1364	133	27	common	common	ADJ
eurjchem-1364	133	28	properties	property	NOUN
eurjchem-1364	133	29	i.e.	i.e.	X
eurjchem-1364	133	30	of	of	ADP
eurjchem-1364	133	31	singlet	singlet	ADJ
eurjchem-1364	133	32	transition	transition	NOUN
eurjchem-1364	133	33	states	state	NOUN
eurjchem-1364	133	34	,	,	PUNCT
eurjchem-1364	133	35	triplet	triplet	NOUN
eurjchem-1364	133	36	reaction	reaction	NOUN
eurjchem-1364	133	37	products	product	NOUN
eurjchem-1364	133	38	and	and	CCONJ
eurjchem-1364	133	39	of	of	ADP
eurjchem-1364	133	40	reaction	reaction	NOUN
eurjchem-1364	133	41	energies	energy	NOUN
eurjchem-1364	133	42	with	with	ADP
eurjchem-1364	133	43	an	an	DET
eurjchem-1364	133	44	average	average	ADJ
eurjchem-1364	133	45	value	value	NOUN
eurjchem-1364	133	46	116‐117	116‐117	NUM
eurjchem-1364	133	47	kcal	kcal	PROPN
eurjchem-1364	133	48	/	/	SYM
eurjchem-1364	133	49	mol	mol	PROPN
eurjchem-1364	133	50	.	.	PUNCT
eurjchem-1364	134	1	the	the	DET
eurjchem-1364	134	2	reactions	reaction	NOUN
eurjchem-1364	134	3	proceed	proceed	VERB
eurjchem-1364	134	4	maintaining	maintain	VERB
eurjchem-1364	134	5	the	the	DET
eurjchem-1364	134	6	coplanar	coplanar	ADJ
eurjchem-1364	134	7	nature	nature	NOUN
eurjchem-1364	134	8	of	of	ADP
eurjchem-1364	134	9	the	the	DET
eurjchem-1364	134	10	molecular	molecular	ADJ
eurjchem-1364	134	11	system	system	NOUN
eurjchem-1364	134	12	.	.	PUNCT
eurjchem-1364	135	1	3.2.1	3.2.1	X
eurjchem-1364	135	2	.	.	PUNCT
eurjchem-1364	135	3	phenanthrene	phenanthrene	NOUN
eurjchem-1364	135	4	typical	typical	ADJ
eurjchem-1364	135	5	shape	shape	NOUN
eurjchem-1364	135	6	for	for	ADP
eurjchem-1364	135	7	the	the	DET
eurjchem-1364	135	8	reaction	reaction	NOUN
eurjchem-1364	135	9	path	path	NOUN
eurjchem-1364	135	10	was	be	AUX
eurjchem-1364	135	11	obtained	obtain	VERB
eurjchem-1364	135	12	for	for	ADP
eurjchem-1364	135	13	all	all	DET
eurjchem-1364	135	14	c‐	c‐	NOUN
eurjchem-1364	135	15	h	h	NOUN
eurjchem-1364	135	16	bonds	bond	NOUN
eurjchem-1364	135	17	in	in	ADP
eurjchem-1364	135	18	phenanthrene	phenanthrene	NOUN
eurjchem-1364	135	19	;	;	PUNCT
eurjchem-1364	135	20	i.e	i.e	PRON
eurjchem-1364	135	21	the	the	DET
eurjchem-1364	135	22	(	(	PUNCT
eurjchem-1364	135	23	s	s	PROPN
eurjchem-1364	135	24	,	,	PUNCT
eurjchem-1364	135	25	ts	ts	NOUN
eurjchem-1364	135	26	)	)	PUNCT
eurjchem-1364	135	27	and	and	CCONJ
eurjchem-1364	135	28	the	the	DET
eurjchem-1364	135	29	triplet	triplet	NOUN
eurjchem-1364	135	30	reaction	reaction	NOUN
eurjchem-1364	135	31	product	product	NOUN
eurjchem-1364	135	32	,	,	PUNCT
eurjchem-1364	135	33	figures	figure	VERB
eurjchem-1364	135	34	19	19	NUM
eurjchem-1364	135	35	and	and	CCONJ
eurjchem-1364	135	36	20	20	NUM
eurjchem-1364	135	37	.	.	PUNCT
eurjchem-1364	136	1	the	the	DET
eurjchem-1364	136	2	calculated	calculate	VERB
eurjchem-1364	136	3	average	average	ADJ
eurjchem-1364	136	4	cleavage	cleavage	NOUN
eurjchem-1364	136	5	energy	energy	NOUN
eurjchem-1364	136	6	for	for	ADP
eurjchem-1364	136	7	all	all	DET
eurjchem-1364	136	8	bonds	bond	NOUN
eurjchem-1364	136	9	is	be	AUX
eurjchem-1364	136	10	~117.0	~117.0	NUM
eurjchem-1364	136	11	kcal	kcal	PROPN
eurjchem-1364	136	12	/	/	SYM
eurjchem-1364	136	13	mol	mol	PROPN
eurjchem-1364	136	14	.	.	PUNCT
eurjchem-1364	137	1	the	the	DET
eurjchem-1364	137	2	activation	activation	NOUN
eurjchem-1364	137	3	energies	energy	NOUN
eurjchem-1364	137	4	for	for	ADP
eurjchem-1364	137	5	these	these	DET
eurjchem-1364	137	6	reactions	reaction	NOUN
eurjchem-1364	137	7	vary	vary	VERB
eurjchem-1364	137	8	from	from	ADP
eurjchem-1364	137	9	one	one	NUM
eurjchem-1364	137	10	bond	bond	NOUN
eurjchem-1364	137	11	to	to	ADP
eurjchem-1364	137	12	the	the	DET
eurjchem-1364	137	13	other	other	ADJ
eurjchem-1364	137	14	(	(	PUNCT
eurjchem-1364	137	15	table	table	NOUN
eurjchem-1364	137	16	1	1	NUM
eurjchem-1364	137	17	)	)	PUNCT
eurjchem-1364	137	18	.	.	PUNCT
eurjchem-1364	138	1	table	table	NOUN
eurjchem-1364	138	2	1	1	NUM
eurjchem-1364	138	3	.	.	PUNCT
eurjchem-1364	138	4	calculated	calculate	VERB
eurjchem-1364	138	5	activation	activation	NOUN
eurjchem-1364	138	6	energies	energy	NOUN
eurjchem-1364	138	7	(	(	PUNCT
eurjchem-1364	138	8	ea	ea	NUM
eurjchem-1364	138	9	)	)	PUNCT
eurjchem-1364	138	10	and	and	CCONJ
eurjchem-1364	138	11	reaction	reaction	NOUN
eurjchem-1364	138	12	energies	energy	NOUN
eurjchem-1364	138	13	(	(	PUNCT
eurjchem-1364	138	14	ea	ea	NOUN
eurjchem-1364	138	15	)	)	PUNCT
eurjchem-1364	138	16	of	of	ADP
eurjchem-1364	138	17	the	the	DET
eurjchem-1364	138	18	c‐h	c‐h	PROPN
eurjchem-1364	138	19	bond	bond	NOUN
eurjchem-1364	138	20	cleavage	cleavage	NOUN
eurjchem-1364	138	21	reactions	reaction	NOUN
eurjchem-1364	138	22	for	for	ADP
eurjchem-1364	138	23	phenanthrene	phenanthrene	NOUN
eurjchem-1364	138	24	molecule	molecule	NOUN
eurjchem-1364	138	25	.	.	PUNCT
eurjchem-1364	139	1	bond	bond	NOUN
eurjchem-1364	139	2	ea	ea	PROPN
eurjchem-1364	139	3	(	(	PUNCT
eurjchem-1364	139	4	kcal	kcal	PROPN
eurjchem-1364	139	5	/	/	SYM
eurjchem-1364	139	6	mol	mol	PROPN
eurjchem-1364	139	7	)	)	PUNCT
eurjchem-1364	139	8	dc	dc	PROPN
eurjchem-1364	139	9	…	…	SYM
eurjchem-1364	139	10	h	h	NOUN
eurjchem-1364	139	11	(	(	PUNCT
eurjchem-1364	139	12	å	å	NOUN
eurjchem-1364	139	13	)	)	PUNCT
eurjchem-1364	139	14	er	er	INTJ
eurjchem-1364	139	15	triplet	triplet	NOUN
eurjchem-1364	139	16	(	(	PUNCT
eurjchem-1364	139	17	kcal	kcal	NOUN
eurjchem-1364	139	18	/	/	SYM
eurjchem-1364	139	19	mol	mol	NOUN
eurjchem-1364	139	20	)	)	PUNCT
eurjchem-1364	139	21	c1‐h1	c1‐h1	NOUN
eurjchem-1364	139	22	163.197	163.197	NUM
eurjchem-1364	139	23	5.2	5.2	NUM
eurjchem-1364	139	24	117.324	117.324	NUM
eurjchem-1364	139	25	c2‐h2	c2‐h2	NOUN
eurjchem-1364	139	26	164.667	164.667	NUM
eurjchem-1364	139	27	4.8	4.8	NUM
eurjchem-1364	139	28	117.649	117.649	NUM
eurjchem-1364	139	29	c3‐h3	c3‐h3	NUM
eurjchem-1364	139	30	165.643	165.643	NUM
eurjchem-1364	139	31	5.1	5.1	NUM
eurjchem-1364	139	32	117.432	117.432	NUM
eurjchem-1364	139	33	c4‐h4	c4‐h4	NOUN
eurjchem-1364	139	34	161.244	161.244	NUM
eurjchem-1364	139	35	4.8	4.8	NUM
eurjchem-1364	139	36	115.539	115.539	NUM
eurjchem-1364	139	37	c9‐h9	c9‐h9	ADJ
eurjchem-1364	139	38	163.008	163.008	NUM
eurjchem-1364	139	39	5.2	5.2	NUM
eurjchem-1364	139	40	117.274	117.274	NUM
eurjchem-1364	139	41	3.2.2	3.2.2	NUM
eurjchem-1364	139	42	.	.	PUNCT
eurjchem-1364	140	1	anthracene	anthracene	ADJ
eurjchem-1364	140	2	discussion	discussion	NOUN
eurjchem-1364	140	3	of	of	ADP
eurjchem-1364	140	4	the	the	DET
eurjchem-1364	140	5	c‐h	c‐h	PROPN
eurjchem-1364	140	6	bonds	bond	NOUN
eurjchem-1364	140	7	cleavage	cleavage	NOUN
eurjchem-1364	140	8	in	in	ADP
eurjchem-1364	140	9	anthracene	anthracene	NOUN
eurjchem-1364	140	10	appeared	appear	VERB
eurjchem-1364	140	11	in	in	ADP
eurjchem-1364	140	12	a	a	DET
eurjchem-1364	140	13	former	former	ADJ
eurjchem-1364	140	14	paper	paper	NOUN
eurjchem-1364	140	15	[	[	X
eurjchem-1364	140	16	5	5	NUM
eurjchem-1364	140	17	]	]	PUNCT
eurjchem-1364	140	18	.	.	PUNCT
eurjchem-1364	141	1	the	the	DET
eurjchem-1364	141	2	average	average	ADJ
eurjchem-1364	141	3	calculated	calculated	ADJ
eurjchem-1364	141	4	bond	bond	NOUN
eurjchem-1364	141	5	cleavage	cleavage	NOUN
eurjchem-1364	141	6	energy	energy	NOUN
eurjchem-1364	141	7	for	for	ADP
eurjchem-1364	141	8	all	all	DET
eurjchem-1364	141	9	such	such	ADJ
eurjchem-1364	141	10	bonds	bond	NOUN
eurjchem-1364	141	11	in	in	ADP
eurjchem-1364	141	12	anthracene	anthracene	NOUN
eurjchem-1364	141	13	was	be	AUX
eurjchem-1364	141	14	~117.0	~117.0	NUM
eurjchem-1364	141	15	kcal	kcal	PROPN
eurjchem-1364	141	16	/	/	SYM
eurjchem-1364	141	17	mol	mol	PROPN
eurjchem-1364	141	18	.	.	PUNCT
eurjchem-1364	142	1	a	a	DET
eurjchem-1364	142	2	common	common	ADJ
eurjchem-1364	142	3	property	property	NOUN
eurjchem-1364	142	4	for	for	ADP
eurjchem-1364	142	5	these	these	DET
eurjchem-1364	142	6	reactions	reaction	NOUN
eurjchem-1364	142	7	was	be	AUX
eurjchem-1364	142	8	that	that	SCONJ
eurjchem-1364	142	9	the	the	DET
eurjchem-1364	142	10	departing	depart	VERB
eurjchem-1364	142	11	h	h	NOUN
eurjchem-1364	142	12	atom	atom	NOUN
eurjchem-1364	142	13	selects	select	NOUN
eurjchem-1364	142	14	a	a	DET
eurjchem-1364	142	15	geometric	geometric	ADJ
eurjchem-1364	142	16	path	path	NOUN
eurjchem-1364	142	17	deviating	deviate	VERB
eurjchem-1364	142	18	slightly	slightly	ADV
eurjchem-1364	142	19	from	from	ADP
eurjchem-1364	142	20	the	the	DET
eurjchem-1364	142	21	expected	expect	VERB
eurjchem-1364	142	22	straight	straight	ADJ
eurjchem-1364	142	23	path	path	NOUN
eurjchem-1364	142	24	,	,	PUNCT
eurjchem-1364	142	25	towards	towards	ADP
eurjchem-1364	142	26	the	the	DET
eurjchem-1364	142	27	other	other	ADJ
eurjchem-1364	142	28	neighbored	neighbored	ADJ
eurjchem-1364	142	29	h	h	NOUN
eurjchem-1364	142	30	atoms	atom	NOUN
eurjchem-1364	142	31	in	in	ADP
eurjchem-1364	142	32	the	the	DET
eurjchem-1364	142	33	molecule	molecule	NOUN
eurjchem-1364	142	34	.	.	PUNCT
eurjchem-1364	143	1	the	the	DET
eurjchem-1364	143	2	calculated	calculate	VERB
eurjchem-1364	143	3	energy	energy	NOUN
eurjchem-1364	143	4	values	value	NOUN
eurjchem-1364	143	5	for	for	ADP
eurjchem-1364	143	6	these	these	DET
eurjchem-1364	143	7	reactions	reaction	NOUN
eurjchem-1364	143	8	are	be	AUX
eurjchem-1364	143	9	given	give	VERB
eurjchem-1364	143	10	in	in	ADP
eurjchem-1364	143	11	table	table	NOUN
eurjchem-1364	143	12	2	2	NUM
eurjchem-1364	143	13	.	.	PUNCT
eurjchem-1364	143	14	shanshal	shanshal	VERB
eurjchem-1364	143	15	et	et	PROPN
eurjchem-1364	143	16	al	al	PROPN
eurjchem-1364	143	17	.	.	PUNCT
eurjchem-1364	143	18	/	/	SYM
eurjchem-1364	143	19	european	european	PROPN
eurjchem-1364	143	20	journal	journal	PROPN
eurjchem-1364	143	21	of	of	ADP
eurjchem-1364	143	22	chemistry	chemistry	NOUN
eurjchem-1364	143	23	7	7	NUM
eurjchem-1364	143	24	(	(	PUNCT
eurjchem-1364	143	25	2	2	NUM
eurjchem-1364	143	26	)	)	PUNCT
eurjchem-1364	143	27	(	(	PUNCT
eurjchem-1364	143	28	2016	2016	NUM
eurjchem-1364	143	29	)	)	PUNCT
eurjchem-1364	144	1	166‐175	166‐175	NOUN
eurjchem-1364	144	2	175	175	NUM
eurjchem-1364	144	3	table	table	NOUN
eurjchem-1364	144	4	2	2	NUM
eurjchem-1364	144	5	.	.	PUNCT
eurjchem-1364	144	6	calculated	calculate	VERB
eurjchem-1364	144	7	activation	activation	NOUN
eurjchem-1364	144	8	energies	energy	NOUN
eurjchem-1364	144	9	(	(	PUNCT
eurjchem-1364	144	10	ea	ea	NUM
eurjchem-1364	144	11	)	)	PUNCT
eurjchem-1364	144	12	and	and	CCONJ
eurjchem-1364	144	13	reaction	reaction	NOUN
eurjchem-1364	144	14	energies	energy	NOUN
eurjchem-1364	144	15	(	(	PUNCT
eurjchem-1364	144	16	ea	ea	NOUN
eurjchem-1364	144	17	)	)	PUNCT
eurjchem-1364	144	18	of	of	ADP
eurjchem-1364	144	19	the	the	DET
eurjchem-1364	144	20	c‐h	c‐h	PROPN
eurjchem-1364	144	21	bond	bond	NOUN
eurjchem-1364	144	22	cleavage	cleavage	NOUN
eurjchem-1364	144	23	reactions	reaction	NOUN
eurjchem-1364	144	24	for	for	ADP
eurjchem-1364	144	25	anthracene	anthracene	ADJ
eurjchem-1364	144	26	molecule	molecule	NOUN
eurjchem-1364	144	27	.	.	PUNCT
eurjchem-1364	145	1	transition	transition	NOUN
eurjchem-1364	145	2	state	state	NOUN
eurjchem-1364	145	3	triplet	triplet	NOUN
eurjchem-1364	145	4	reaction	reaction	NOUN
eurjchem-1364	145	5	product	product	NOUN
eurjchem-1364	145	6	c	c	NOUN
eurjchem-1364	145	7	…	…	PUNCT
eurjchem-1364	145	8	h	h	PRON
eurjchem-1364	145	9	distance	distance	NOUN
eurjchem-1364	145	10	(	(	PUNCT
eurjchem-1364	145	11	å	å	NOUN
eurjchem-1364	145	12	)	)	PUNCT
eurjchem-1364	145	13	ea	ea	NOUN
eurjchem-1364	145	14	(	(	PUNCT
eurjchem-1364	145	15	kcal	kcal	PROPN
eurjchem-1364	145	16	/	/	SYM
eurjchem-1364	145	17	mol	mol	NOUN
eurjchem-1364	145	18	)	)	PUNCT
eurjchem-1364	145	19	c	c	NOUN
eurjchem-1364	145	20	…	…	PUNCT
eurjchem-1364	145	21	h	h	PRON
eurjchem-1364	145	22	distance	distance	NOUN
eurjchem-1364	145	23	(	(	PUNCT
eurjchem-1364	145	24	å	å	NOUN
eurjchem-1364	145	25	)	)	PUNCT
eurjchem-1364	145	26	er	er	INTJ
eurjchem-1364	145	27	(	(	PUNCT
eurjchem-1364	145	28	kcal	kcal	PROPN
eurjchem-1364	145	29	/	/	SYM
eurjchem-1364	145	30	mol	mol	PROPN
eurjchem-1364	145	31	)	)	PUNCT
eurjchem-1364	145	32	c1‐h1	c1‐h1	NOUN
eurjchem-1364	145	33	3.6	3.6	NUM
eurjchem-1364	145	34	149.752	149.752	NUM
eurjchem-1364	145	35	c1‐h1	c1‐h1	NOUN
eurjchem-1364	145	36	3.7	3.7	NUM
eurjchem-1364	145	37	117.320	117.320	NUM
eurjchem-1364	145	38	c2‐h2	c2‐h2	NOUN
eurjchem-1364	145	39	4.4	4.4	NUM
eurjchem-1364	145	40	161.270	161.270	NUM
eurjchem-1364	145	41	c2‐h2	c2‐h2	NOUN
eurjchem-1364	145	42	4.5	4.5	NUM
eurjchem-1364	145	43	116.725	116.725	NUM
eurjchem-1364	145	44	c9‐h9	c9‐h9	VERB
eurjchem-1364	145	45	4.1	4.1	NUM
eurjchem-1364	145	46	156.703	156.703	NUM
eurjchem-1364	145	47	c9‐h9	c9‐h9	NOUN
eurjchem-1364	145	48	4.2	4.2	NUM
eurjchem-1364	145	49	117.341	117.341	NUM
eurjchem-1364	145	50	4	4	NUM
eurjchem-1364	145	51	.	.	PUNCT
eurjchem-1364	146	1	conclusion	conclusion	VERB
eurjchem-1364	146	2	the	the	DET
eurjchem-1364	146	3	present	present	ADJ
eurjchem-1364	146	4	computative	computative	ADJ
eurjchem-1364	146	5	study	study	NOUN
eurjchem-1364	146	6	for	for	ADP
eurjchem-1364	146	7	the	the	DET
eurjchem-1364	146	8	c‐c	c‐c	PROPN
eurjchem-1364	146	9	bond	bond	NOUN
eurjchem-1364	146	10	cleavage	cleavage	NOUN
eurjchem-1364	146	11	reactions	reaction	NOUN
eurjchem-1364	146	12	in	in	ADP
eurjchem-1364	146	13	anthracene	anthracene	NOUN
eurjchem-1364	146	14	and	and	CCONJ
eurjchem-1364	146	15	phenanthrene	phenanthrene	NOUN
eurjchem-1364	146	16	,	,	PUNCT
eurjchem-1364	146	17	confirms	confirm	VERB
eurjchem-1364	146	18	our	our	PRON
eurjchem-1364	146	19	former	former	ADJ
eurjchem-1364	146	20	results	result	NOUN
eurjchem-1364	146	21	obtained	obtain	VERB
eurjchem-1364	146	22	for	for	ADP
eurjchem-1364	146	23	other	other	ADJ
eurjchem-1364	146	24	aromatic	aromatic	ADJ
eurjchem-1364	146	25	hydrocarbons	hydrocarbon	NOUN
eurjchem-1364	146	26	,	,	PUNCT
eurjchem-1364	146	27	in	in	ADP
eurjchem-1364	146	28	which	which	PRON
eurjchem-1364	146	29	it	it	PRON
eurjchem-1364	146	30	was	be	AUX
eurjchem-1364	146	31	found	find	VERB
eurjchem-1364	146	32	that	that	SCONJ
eurjchem-1364	146	33	such	such	ADJ
eurjchem-1364	146	34	reactions	reaction	NOUN
eurjchem-1364	146	35	proceed	proceed	VERB
eurjchem-1364	146	36	through	through	ADP
eurjchem-1364	146	37	singlet	singlet	ADJ
eurjchem-1364	146	38	aromatic	aromatic	ADJ
eurjchem-1364	146	39	transition	transition	NOUN
eurjchem-1364	146	40	states	state	NOUN
eurjchem-1364	146	41	formed	form	VERB
eurjchem-1364	146	42	via	via	ADP
eurjchem-1364	146	43	a	a	DET
eurjchem-1364	146	44	disrotatoric	disrotatoric	ADJ
eurjchem-1364	146	45	opening	opening	NOUN
eurjchem-1364	146	46	of	of	ADP
eurjchem-1364	146	47	the	the	DET
eurjchem-1364	146	48	corresponding	corresponding	ADJ
eurjchem-1364	146	49	ring	ring	NOUN
eurjchem-1364	146	50	.	.	PUNCT
eurjchem-1364	147	1	the	the	DET
eurjchem-1364	147	2	singlet	singlet	ADJ
eurjchem-1364	147	3	final	final	ADJ
eurjchem-1364	147	4	product	product	NOUN
eurjchem-1364	147	5	is	be	AUX
eurjchem-1364	147	6	usually	usually	ADV
eurjchem-1364	147	7	formed	form	VERB
eurjchem-1364	147	8	through	through	ADP
eurjchem-1364	147	9	a	a	DET
eurjchem-1364	147	10	h	h	NOUN
eurjchem-1364	147	11	atom	atom	NOUN
eurjchem-1364	147	12	“	"	PUNCT
eurjchem-1364	147	13	suprafacial	suprafacial	ADJ
eurjchem-1364	147	14	”	"	PUNCT
eurjchem-1364	147	15	shift	shift	NOUN
eurjchem-1364	147	16	which	which	PRON
eurjchem-1364	147	17	forms	form	VERB
eurjchem-1364	147	18	a	a	DET
eurjchem-1364	147	19	–	–	PUNCT
eurjchem-1364	147	20	ch2	ch2	PROPN
eurjchem-1364	147	21	methylene	methylene	NOUN
eurjchem-1364	147	22	group	group	NOUN
eurjchem-1364	147	23	and	and	CCONJ
eurjchem-1364	147	24	a	a	DET
eurjchem-1364	147	25	neighbored	neighbored	ADJ
eurjchem-1364	147	26	acetylenic	acetylenic	ADJ
eurjchem-1364	147	27	or	or	CCONJ
eurjchem-1364	147	28	allenic	allenic	ADJ
eurjchem-1364	147	29	moiety	moiety	NOUN
eurjchem-1364	147	30	.	.	PUNCT
eurjchem-1364	148	1	the	the	DET
eurjchem-1364	148	2	steric	steric	ADJ
eurjchem-1364	148	3	conformations	conformation	NOUN
eurjchem-1364	148	4	of	of	ADP
eurjchem-1364	148	5	the	the	DET
eurjchem-1364	148	6	transition	transition	NOUN
eurjchem-1364	148	7	states	state	NOUN
eurjchem-1364	148	8	and	and	CCONJ
eurjchem-1364	148	9	products	product	NOUN
eurjchem-1364	148	10	are	be	AUX
eurjchem-1364	148	11	adapted	adapt	VERB
eurjchem-1364	148	12	to	to	ADP
eurjchem-1364	148	13	both	both	DET
eurjchem-1364	148	14	ring	ring	VERB
eurjchem-1364	148	15	opening	opening	NOUN
eurjchem-1364	148	16	and	and	CCONJ
eurjchem-1364	148	17	“	"	PUNCT
eurjchem-1364	148	18	suprafacial	suprafacial	ADJ
eurjchem-1364	148	19	”	"	PUNCT
eurjchem-1364	148	20	h	h	NOUN
eurjchem-1364	148	21	atom	atom	NOUN
eurjchem-1364	148	22	shift	shift	NOUN
eurjchem-1364	148	23	.	.	PUNCT
eurjchem-1364	149	1	different	different	ADJ
eurjchem-1364	149	2	values	value	NOUN
eurjchem-1364	149	3	for	for	ADP
eurjchem-1364	149	4	the	the	DET
eurjchem-1364	149	5	activation	activation	NOUN
eurjchem-1364	149	6	and	and	CCONJ
eurjchem-1364	149	7	reaction	reaction	NOUN
eurjchem-1364	149	8	energies	energy	NOUN
eurjchem-1364	149	9	are	be	AUX
eurjchem-1364	149	10	obtained	obtain	VERB
eurjchem-1364	149	11	for	for	ADP
eurjchem-1364	149	12	the	the	DET
eurjchem-1364	149	13	different	different	ADJ
eurjchem-1364	149	14	bonds	bond	NOUN
eurjchem-1364	149	15	of	of	ADP
eurjchem-1364	149	16	each	each	DET
eurjchem-1364	149	17	molecule	molecule	NOUN
eurjchem-1364	149	18	.	.	PUNCT
eurjchem-1364	150	1	the	the	DET
eurjchem-1364	150	2	c‐h	c‐h	PROPN
eurjchem-1364	150	3	bond	bond	NOUN
eurjchem-1364	150	4	cleavage	cleavage	NOUN
eurjchem-1364	150	5	proceeds	proceed	NOUN
eurjchem-1364	150	6	in	in	ADP
eurjchem-1364	150	7	a	a	DET
eurjchem-1364	150	8	similar	similar	ADJ
eurjchem-1364	150	9	manner	manner	NOUN
eurjchem-1364	150	10	to	to	ADP
eurjchem-1364	150	11	that	that	PRON
eurjchem-1364	150	12	of	of	ADP
eurjchem-1364	150	13	the	the	DET
eurjchem-1364	150	14	former	former	ADJ
eurjchem-1364	150	15	aromatic	aromatic	ADJ
eurjchem-1364	150	16	hydrocarbons	hydrocarbon	NOUN
eurjchem-1364	150	17	represented	represent	VERB
eurjchem-1364	150	18	by	by	ADP
eurjchem-1364	150	19	the	the	DET
eurjchem-1364	150	20	coplanarity	coplanarity	NOUN
eurjchem-1364	150	21	of	of	ADP
eurjchem-1364	150	22	the	the	DET
eurjchem-1364	150	23	reacting	react	VERB
eurjchem-1364	150	24	molecule	molecule	NOUN
eurjchem-1364	150	25	up	up	ADP
eurjchem-1364	150	26	to	to	ADP
eurjchem-1364	150	27	the	the	DET
eurjchem-1364	150	28	reaction	reaction	NOUN
eurjchem-1364	150	29	product	product	NOUN
eurjchem-1364	150	30	and	and	CCONJ
eurjchem-1364	150	31	a	a	DET
eurjchem-1364	150	32	slight	slight	ADJ
eurjchem-1364	150	33	deviation	deviation	NOUN
eurjchem-1364	150	34	of	of	ADP
eurjchem-1364	150	35	the	the	DET
eurjchem-1364	150	36	h	h	NOUN
eurjchem-1364	150	37	atom	atom	NOUN
eurjchem-1364	150	38	towards	towards	ADP
eurjchem-1364	150	39	the	the	DET
eurjchem-1364	150	40	neighboured	neighboured	ADJ
eurjchem-1364	150	41	h	h	NOUN
eurjchem-1364	150	42	atoms	atom	NOUN
eurjchem-1364	150	43	in	in	ADP
eurjchem-1364	150	44	its	its	PRON
eurjchem-1364	150	45	motion	motion	NOUN
eurjchem-1364	150	46	towards	towards	ADP
eurjchem-1364	150	47	the	the	DET
eurjchem-1364	150	48	final	final	ADJ
eurjchem-1364	150	49	product	product	NOUN
eurjchem-1364	150	50	.	.	PUNCT
eurjchem-1364	151	1	the	the	DET
eurjchem-1364	151	2	reaction	reaction	NOUN
eurjchem-1364	151	3	energies	energy	NOUN
eurjchem-1364	151	4	of	of	ADP
eurjchem-1364	151	5	the	the	DET
eurjchem-1364	151	6	c‐h	c‐h	PROPN
eurjchem-1364	151	7	bond	bond	NOUN
eurjchem-1364	151	8	cleavage	cleavage	NOUN
eurjchem-1364	151	9	for	for	ADP
eurjchem-1364	151	10	all	all	DET
eurjchem-1364	151	11	such	such	ADJ
eurjchem-1364	151	12	bonds	bond	NOUN
eurjchem-1364	151	13	are	be	AUX
eurjchem-1364	151	14	almost	almost	ADV
eurjchem-1364	151	15	similar	similar	ADJ
eurjchem-1364	151	16	,	,	PUNCT
eurjchem-1364	151	17	i.e.	i.e.	X
eurjchem-1364	151	18	116‐117	116‐117	NUM
eurjchem-1364	151	19	kcal	kcal	PROPN
eurjchem-1364	151	20	/	/	SYM
eurjchem-1364	151	21	mol	mol	PROPN
eurjchem-1364	151	22	,	,	PUNCT
eurjchem-1364	151	23	their	their	PRON
eurjchem-1364	151	24	activation	activation	NOUN
eurjchem-1364	151	25	energies	energy	NOUN
eurjchem-1364	151	26	however	however	ADV
eurjchem-1364	151	27	are	be	AUX
eurjchem-1364	151	28	different	different	ADJ
eurjchem-1364	151	29	.	.	PUNCT
eurjchem-1364	152	1	references	reference	NOUN
eurjchem-1364	152	2	[	[	X
eurjchem-1364	152	3	1	1	NUM
eurjchem-1364	152	4	]	]	PUNCT
eurjchem-1364	152	5	.	.	PUNCT
eurjchem-1364	153	1	shanshal	shanshal	NOUN
eurjchem-1364	153	2	,	,	PUNCT
eurjchem-1364	153	3	m.	m.	NOUN
eurjchem-1364	153	4	;	;	PUNCT
eurjchem-1364	153	5	hadi	hadi	PROPN
eurjchem-1364	153	6	,	,	PUNCT
eurjchem-1364	153	7	h.	h.	PROPN
eurjchem-1364	153	8	proceeding	proceeding	NOUN
eurjchem-1364	153	9	of	of	ADP
eurjchem-1364	153	10	the	the	DET
eurjchem-1364	153	11	6thjordanien	6thjordanien	NUM
eurjchem-1364	153	12	international	international	ADJ
eurjchem-1364	153	13	conference	conference	NOUN
eurjchem-1364	153	14	of	of	ADP
eurjchem-1364	153	15	chemistry	chemistry	NOUN
eurjchem-1364	153	16	,	,	PUNCT
eurjchem-1364	153	17	irbid	irbid	PROPN
eurjchem-1364	153	18	,	,	PUNCT
eurjchem-1364	153	19	jordan	jordan	PROPN
eurjchem-1364	153	20	,	,	PUNCT
eurjchem-1364	153	21	2011	2011	NUM
eurjchem-1364	153	22	.	.	PUNCT
eurjchem-1364	154	1	[	[	X
eurjchem-1364	154	2	2	2	NUM
eurjchem-1364	154	3	]	]	PUNCT
eurjchem-1364	154	4	.	.	PUNCT
eurjchem-1364	155	1	shanshal	shanshal	NOUN
eurjchem-1364	155	2	,	,	PUNCT
eurjchem-1364	155	3	m.	m.	NOUN
eurjchem-1364	155	4	;	;	PUNCT
eurjchem-1364	155	5	hadi	hadi	PROPN
eurjchem-1364	155	6	,	,	PUNCT
eurjchem-1364	155	7	h	h	NOUN
eurjchem-1364	155	8	,	,	PUNCT
eurjchem-1364	155	9	jordan	jordan	PROPN
eurjchem-1364	155	10	j.	j.	PROPN
eurjchem-1364	155	11	chem	chem	PROPN
eurjchem-1364	155	12	.	.	PUNCT
eurjchem-1364	156	1	2012	2012	NUM
eurjchem-1364	156	2	,	,	PUNCT
eurjchem-1364	156	3	7	7	NUM
eurjchem-1364	156	4	,	,	PUNCT
eurjchem-1364	156	5	329‐337	329‐337	NUM
eurjchem-1364	156	6	.	.	PUNCT
eurjchem-1364	157	1	[	[	X
eurjchem-1364	157	2	3	3	NUM
eurjchem-1364	157	3	]	]	PUNCT
eurjchem-1364	157	4	.	.	PUNCT
eurjchem-1364	158	1	shanshal	shanshal	NOUN
eurjchem-1364	158	2	,	,	PUNCT
eurjchem-1364	158	3	m.	m.	NOUN
eurjchem-1364	158	4	;	;	PUNCT
eurjchem-1364	158	5	muala	muala	PROPN
eurjchem-1364	158	6	,	,	PUNCT
eurjchem-1364	158	7	m.	m.	NOUN
eurjchem-1364	158	8	m.	m.	PROPN
eurjchem-1364	158	9	jordan	jordan	PROPN
eurjchem-1364	158	10	j.	j.	PROPN
eurjchem-1364	158	11	chem	chem	PROPN
eurjchem-1364	158	12	.	.	PUNCT
eurjchem-1364	159	1	2011	2011	NUM
eurjchem-1364	159	2	,	,	PUNCT
eurjchem-1364	159	3	6(2	6(2	NUM
eurjchem-1364	159	4	)	)	PUNCT
eurjchem-1364	159	5	,	,	PUNCT
eurjchem-1364	159	6	165‐173	165‐173	PROPN
eurjchem-1364	159	7	.	.	PUNCT
eurjchem-1364	160	1	[	[	X
eurjchem-1364	160	2	4	4	NUM
eurjchem-1364	160	3	]	]	PUNCT
eurjchem-1364	160	4	.	.	PUNCT
eurjchem-1364	161	1	shanshal	shanshal	NOUN
eurjchem-1364	161	2	,	,	PUNCT
eurjchem-1364	161	3	m.	m.	NOUN
eurjchem-1364	161	4	;	;	PUNCT
eurjchem-1364	161	5	muala	muala	PROPN
eurjchem-1364	161	6	,	,	PUNCT
eurjchem-1364	161	7	m.	m.	NOUN
eurjchem-1364	161	8	m.	m.	PROPN
eurjchem-1364	161	9	jordan	jordan	PROPN
eurjchem-1364	161	10	j.	j.	PROPN
eurjchem-1364	161	11	chem	chem	PROPN
eurjchem-1364	161	12	.	.	PUNCT
eurjchem-1364	162	1	2013	2013	NUM
eurjchem-1364	162	2	,	,	PUNCT
eurjchem-1364	162	3	8	8	NUM
eurjchem-1364	162	4	,	,	PUNCT
eurjchem-1364	162	5	113‐124	113‐124	NUM
eurjchem-1364	162	6	.	.	PUNCT
eurjchem-1364	163	1	[	[	X
eurjchem-1364	163	2	5	5	NUM
eurjchem-1364	163	3	]	]	PUNCT
eurjchem-1364	163	4	.	.	PUNCT
eurjchem-1364	164	1	shanshal	shanshal	NOUN
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eurjchem-1364	164	3	m.	m.	NOUN
eurjchem-1364	164	4	;	;	PUNCT
eurjchem-1364	164	5	muala	muala	PROPN
eurjchem-1364	164	6	,	,	PUNCT
eurjchem-1364	164	7	m.	m.	NOUN
eurjchem-1364	164	8	m.	m.	NOUN
eurjchem-1364	164	9	;	;	PUNCT
eurjchem-1364	164	10	al‐yassiri	al‐yassiri	PROPN
eurjchem-1364	164	11	,	,	PUNCT
eurjchem-1364	164	12	m.	m.	NOUN
eurjchem-1364	164	13	a.	a.	PROPN
eurjchem-1364	164	14	jordan	jordan	PROPN
eurjchem-1364	164	15	j.	j.	PROPN
eurjchem-1364	164	16	chem	chem	PROPN
eurjchem-1364	164	17	.	.	PUNCT
eurjchem-1364	165	1	2013	2013	NUM
eurjchem-1364	165	2	,	,	PUNCT
eurjchem-1364	165	3	8	8	NUM
eurjchem-1364	165	4	,	,	PUNCT
eurjchem-1364	165	5	213‐224	213‐224	NUM
eurjchem-1364	165	6	.	.	PUNCT
eurjchem-1364	166	1	[	[	X
eurjchem-1364	166	2	6	6	NUM
eurjchem-1364	166	3	]	]	PUNCT
eurjchem-1364	166	4	.	.	PUNCT
eurjchem-1364	167	1	al‐yassiri	al‐yassiri	PROPN
eurjchem-1364	167	2	,	,	PUNCT
eurjchem-1364	167	3	m.	m.	NOUN
eurjchem-1364	167	4	;	;	PUNCT
eurjchem-1364	167	5	shanshal	shanshal	NOUN
eurjchem-1364	167	6	,	,	PUNCT
eurjchem-1364	167	7	m.	m.	NOUN
eurjchem-1364	167	8	eur	eur	PROPN
eurjchem-1364	167	9	.	.	PUNCT
eurjchem-1364	168	1	j.	j.	PROPN
eurjchem-1364	168	2	chem	chem	PROPN
eurjchem-1364	168	3	.	.	PUNCT
eurjchem-1364	169	1	2015	2015	NUM
eurjchem-1364	169	2	,	,	PUNCT
eurjchem-1364	169	3	6(3	6(3	NUM
eurjchem-1364	169	4	)	)	PUNCT
eurjchem-1364	169	5	,	,	PUNCT
eurjchem-1364	169	6	261‐269	261‐269	NUM
eurjchem-1364	169	7	.	.	PUNCT
eurjchem-1364	170	1	[	[	X
eurjchem-1364	170	2	7	7	NUM
eurjchem-1364	170	3	]	]	PUNCT
eurjchem-1364	170	4	.	.	PUNCT
eurjchem-1364	171	1	dewar	dewar	PROPN
eurjchem-1364	171	2	,	,	PUNCT
eurjchem-1364	171	3	m.	m.	NOUN
eurjchem-1364	171	4	j.	j.	PROPN
eurjchem-1364	171	5	s.	s.	PROPN
eurjchem-1364	172	1	the	the	DET
eurjchem-1364	172	2	molecular	molecular	ADJ
eurjchem-1364	172	3	orbital	orbital	ADJ
eurjchem-1364	172	4	theory	theory	NOUN
eurjchem-1364	172	5	of	of	ADP
eurjchem-1364	172	6	organic	organic	ADJ
eurjchem-1364	172	7	chemistry	chemistry	NOUN
eurjchem-1364	172	8	,	,	PUNCT
eurjchem-1364	172	9	mcgraw‐hill	mcgraw‐hill	PROPN
eurjchem-1364	172	10	,	,	PUNCT
eurjchem-1364	172	11	n.	n.	PROPN
eurjchem-1364	172	12	york	york	PROPN
eurjchem-1364	172	13	,	,	PUNCT
eurjchem-1364	172	14	1969	1969	NUM
eurjchem-1364	172	15	,	,	PUNCT
eurjchem-1364	172	16	pp	pp	ADV
eurjchem-1364	172	17	.	.	PUNCT
eurjchem-1364	173	1	169‐190	169‐190	NUM
eurjchem-1364	173	2	.	.	PUNCT
eurjchem-1364	174	1	[	[	X
eurjchem-1364	174	2	8	8	NUM
eurjchem-1364	174	3	]	]	PUNCT
eurjchem-1364	174	4	.	.	PUNCT
eurjchem-1364	175	1	ren	ren	PROPN
eurjchem-1364	175	2	,	,	PUNCT
eurjchem-1364	175	3	r.	r.	PROPN
eurjchem-1364	175	4	l.	l.	PROPN
eurjchem-1364	175	5	;	;	PUNCT
eurjchem-1364	175	6	itoh	itoh	PROPN
eurjchem-1364	175	7	,	,	PUNCT
eurjchem-1364	175	8	h.	h.	PROPN
eurjchem-1364	175	9	;	;	PUNCT
eurjchem-1364	175	10	ouchi	ouchi	PROPN
eurjchem-1364	175	11	,	,	PUNCT
eurjchem-1364	175	12	k.	k.	PROPN
eurjchem-1364	175	13	fuel	fuel	PROPN
eurjchem-1364	175	14	1989	1989	NUM
eurjchem-1364	175	15	,	,	PUNCT
eurjchem-1364	175	16	68	68	NUM
eurjchem-1364	175	17	,	,	PUNCT
eurjchem-1364	175	18	58‐	58‐	NUM
eurjchem-1364	175	19	65	65	NUM
eurjchem-1364	175	20	.	.	PUNCT
eurjchem-1364	176	1	[	[	X
eurjchem-1364	176	2	9	9	NUM
eurjchem-1364	176	3	]	]	PUNCT
eurjchem-1364	176	4	.	.	PUNCT
eurjchem-1364	177	1	ninomiza	ninomiza	PROPN
eurjchem-1364	177	2	,	,	PUNCT
eurjchem-1364	177	3	y.	y.	PROPN
eurjchem-1364	177	4	d.	d.	PROPN
eurjchem-1364	177	5	;	;	PUNCT
eurjchem-1364	177	6	suzuki	suzuki	PROPN
eurjchem-1364	177	7	,	,	PUNCT
eurjchem-1364	177	8	z.	z.	PROPN
eurjchem-1364	177	9	y.	y.	PROPN
eurjchem-1364	177	10	fuel	fuel	PROPN
eurjchem-1364	177	11	2000	2000	NUM
eurjchem-1364	177	12	,	,	PUNCT
eurjchem-1364	177	13	79	79	NUM
eurjchem-1364	177	14	,	,	PUNCT
eurjchem-1364	177	15	449‐457	449‐457	NUM
eurjchem-1364	177	16	.	.	PUNCT
eurjchem-1364	178	1	[	[	X
eurjchem-1364	178	2	10	10	NUM
eurjchem-1364	178	3	]	]	PUNCT
eurjchem-1364	178	4	.	.	PUNCT
eurjchem-1364	179	1	guerrin	guerrin	NOUN
eurjchem-1364	179	2	,	,	PUNCT
eurjchem-1364	179	3	m.	m.	PROPN
eurjchem-1364	179	4	r.	r.	PROPN
eurjchem-1364	179	5	energy	energy	PROPN
eurjchem-1364	179	6	sources	source	NOUN
eurjchem-1364	179	7	of	of	ADP
eurjchem-1364	179	8	polycyclic	polycyclic	ADJ
eurjchem-1364	179	9	aromatic	aromatic	ADJ
eurjchem-1364	179	10	hydrocarbons	hydrocarbon	NOUN
eurjchem-1364	179	11	,	,	PUNCT
eurjchem-1364	179	12	in	in	ADP
eurjchem-1364	179	13	polycyclic	polycyclic	ADJ
eurjchem-1364	179	14	hydrocarbons	hydrocarbon	NOUN
eurjchem-1364	179	15	and	and	CCONJ
eurjchem-1364	179	16	cancer	cancer	NOUN
eurjchem-1364	179	17	,	,	PUNCT
eurjchem-1364	179	18	academic	academic	PROPN
eurjchem-1364	179	19	press	press	PROPN
eurjchem-1364	179	20	inc	inc	PROPN
eurjchem-1364	179	21	.	.	PROPN
eurjchem-1364	179	22	n.	n.	PROPN
eurjchem-1364	179	23	york	york	PROPN
eurjchem-1364	179	24	,	,	PUNCT
eurjchem-1364	179	25	1978	1978	NUM
eurjchem-1364	179	26	.	.	PUNCT
eurjchem-1364	180	1	[	[	X
eurjchem-1364	180	2	11	11	NUM
eurjchem-1364	180	3	]	]	PUNCT
eurjchem-1364	180	4	.	.	PUNCT
eurjchem-1364	181	1	luch	luch	PROPN
eurjchem-1364	181	2	,	,	PUNCT
eurjchem-1364	181	3	a.	a.	NOUN
eurjchem-1364	181	4	the	the	DET
eurjchem-1364	181	5	carcinogenic	carcinogenic	ADJ
eurjchem-1364	181	6	effects	effect	NOUN
eurjchem-1364	181	7	of	of	ADP
eurjchem-1364	181	8	polycyclic	polycyclic	ADJ
eurjchem-1364	181	9	aromatic	aromatic	ADJ
eurjchem-1364	181	10	hydrocarbons	hydrocarbon	NOUN
eurjchem-1364	181	11	,	,	PUNCT
eurjchem-1364	181	12	imperial	imperial	ADJ
eurjchem-1364	181	13	college	college	NOUN
eurjchem-1364	181	14	press	press	NOUN
eurjchem-1364	181	15	,	,	PUNCT
eurjchem-1364	181	16	singapore	singapore	PROPN
eurjchem-1364	181	17	,	,	PUNCT
eurjchem-1364	181	18	2005	2005	NUM
eurjchem-1364	181	19	.	.	PUNCT
eurjchem-1364	182	1	[	[	X
eurjchem-1364	182	2	12	12	NUM
eurjchem-1364	182	3	]	]	PUNCT
eurjchem-1364	182	4	.	.	PUNCT
eurjchem-1364	183	1	frenklach	frenklach	NOUN
eurjchem-1364	183	2	,	,	PUNCT
eurjchem-1364	183	3	m.	m.	NOUN
eurjchem-1364	183	4	;	;	PUNCT
eurjchem-1364	183	5	wang	wang	PROPN
eurjchem-1364	183	6	,	,	PUNCT
eurjchem-1364	183	7	h.	h.	PROPN
eurjchem-1364	183	8	proc	proc	PROPN
eurjchem-1364	183	9	.	.	PUNCT
eurjchem-1364	184	1	combust	combust	PROPN
eurjchem-1364	184	2	.	.	PUNCT
eurjchem-1364	184	3	inst	inst	PROPN
eurjchem-1364	184	4	.	.	PROPN
eurjchem-1364	184	5	1991	1991	NUM
eurjchem-1364	184	6	,	,	PUNCT
eurjchem-1364	184	7	23	23	NUM
eurjchem-1364	184	8	,	,	PUNCT
eurjchem-1364	184	9	1559‐1566	1559‐1566	NUM
eurjchem-1364	184	10	.	.	PUNCT
eurjchem-1364	185	1	[	[	X
eurjchem-1364	185	2	13	13	NUM
eurjchem-1364	185	3	]	]	PUNCT
eurjchem-1364	185	4	.	.	PUNCT
eurjchem-1364	186	1	frenklach	frenklach	NOUN
eurjchem-1364	186	2	,	,	PUNCT
eurjchem-1364	186	3	m.	m.	NOUN
eurjchem-1364	186	4	;	;	PUNCT
eurjchem-1364	186	5	moriatry	moriatry	NOUN
eurjchem-1364	186	6	,	,	PUNCT
eurjchem-1364	186	7	n.	n.	PROPN
eurjchem-1364	186	8	w.	w.	PROPN
eurjchem-1364	186	9	;	;	PUNCT
eurjchem-1364	186	10	brown	brown	PROPN
eurjchem-1364	186	11	,	,	PUNCT
eurjchem-1364	186	12	n.	n.	PROPN
eurjchem-1364	186	13	proc	proc	PROPN
eurjchem-1364	186	14	.	.	PUNCT
eurjchem-1364	186	15	combust	combust	PROPN
eurjchem-1364	186	16	inst	inst	PROPN
eurjchem-1364	186	17	.	.	PUNCT
eurjchem-1364	187	1	1998	1998	NUM
eurjchem-1364	187	2	,	,	PUNCT
eurjchem-1364	187	3	27	27	NUM
eurjchem-1364	187	4	,	,	PUNCT
eurjchem-1364	187	5	1655‐1661	1655‐1661	NUM
eurjchem-1364	187	6	.	.	PUNCT
eurjchem-1364	188	1	[	[	X
eurjchem-1364	188	2	14	14	NUM
eurjchem-1364	188	3	]	]	PUNCT
eurjchem-1364	188	4	.	.	PUNCT
eurjchem-1364	189	1	ling	ling	PROPN
eurjchem-1364	189	2	,	,	PUNCT
eurjchem-1364	189	3	y.	y.	PROPN
eurjchem-1364	189	4	;	;	PUNCT
eurjchem-1364	189	5	martin	martin	PROPN
eurjchem-1364	189	6	,	,	PUNCT
eurjchem-1364	189	7	j.	j.	PROPN
eurjchem-1364	189	8	m.	m.	PROPN
eurjchem-1364	189	9	l.	l.	PROPN
eurjchem-1364	189	10	;	;	PUNCT
eurjchem-1364	189	11	lifschitz	lifschitz	PROPN
eurjchem-1364	189	12	,	,	PUNCT
eurjchem-1364	189	13	c.	c.	PROPN
eurjchem-1364	189	14	j.	j.	PROPN
eurjchem-1364	189	15	phys	phys	PROPN
eurjchem-1364	189	16	.	.	PUNCT
eurjchem-1364	190	1	chem	chem	PROPN
eurjchem-1364	190	2	.	.	PUNCT
eurjchem-1364	191	1	a	a	DET
eurjchem-1364	191	2	1997	1997	NUM
eurjchem-1364	191	3	,	,	PUNCT
eurjchem-1364	191	4	101	101	NUM
eurjchem-1364	191	5	,	,	PUNCT
eurjchem-1364	191	6	219‐	219‐	NUM
eurjchem-1364	191	7	226	226	NUM
eurjchem-1364	191	8	.	.	PUNCT
eurjchem-1364	192	1	[	[	X
eurjchem-1364	192	2	15	15	NUM
eurjchem-1364	192	3	]	]	PUNCT
eurjchem-1364	192	4	.	.	PUNCT
eurjchem-1364	193	1	mebel	mebel	NOUN
eurjchem-1364	193	2	,	,	PUNCT
eurjchem-1364	193	3	a.	a.	NOUN
eurjchem-1364	193	4	m.	m.	NOUN
eurjchem-1364	193	5	;	;	PUNCT
eurjchem-1364	193	6	lin	lin	PROPN
eurjchem-1364	193	7	,	,	PUNCT
eurjchem-1364	193	8	s.	s.	PROPN
eurjchem-1364	193	9	h	h	PROPN
eurjchem-1364	193	10	;	;	PUNCT
eurjchem-1364	193	11	yang	yang	PROPN
eurjchem-1364	193	12	,	,	PUNCT
eurjchem-1364	193	13	x.	x.	PROPN
eurjchem-1364	193	14	m.	m.	PROPN
eurjchem-1364	193	15	;	;	PUNCT
eurjchem-1364	193	16	lee	lee	PROPN
eurjchem-1364	193	17	,	,	PUNCT
eurjchem-1364	193	18	y.	y.	PROPN
eurjchem-1364	193	19	t.	t.	PROPN
eurjchem-1364	193	20	j.	j.	PROPN
eurjchem-1364	193	21	phys	phys	PROPN
eurjchem-1364	193	22	.	.	PUNCT
eurjchem-1364	194	1	chem	chem	PROPN
eurjchem-1364	194	2	.	.	PUNCT
eurjchem-1364	195	1	a	a	DET
eurjchem-1364	195	2	1997	1997	NUM
eurjchem-1364	195	3	,	,	PUNCT
eurjchem-1364	195	4	101	101	NUM
eurjchem-1364	195	5	,	,	PUNCT
eurjchem-1364	195	6	6781‐6789	6781‐6789	NUM
eurjchem-1364	195	7	.	.	PUNCT
eurjchem-1364	196	1	[	[	X
eurjchem-1364	196	2	16	16	NUM
eurjchem-1364	196	3	]	]	PUNCT
eurjchem-1364	196	4	.	.	PUNCT
eurjchem-1364	197	1	boehm	boehm	PROPN
eurjchem-1364	197	2	,	,	PUNCT
eurjchem-1364	197	3	h.	h.	PROPN
eurjchem-1364	197	4	;	;	PUNCT
eurjchem-1364	197	5	jander	jander	PROPN
eurjchem-1364	197	6	,	,	PUNCT
eurjchem-1364	197	7	h.	h.	PROPN
eurjchem-1364	197	8	phys	phys	PROPN
eurjchem-1364	197	9	.	.	PUNCT
eurjchem-1364	198	1	chem	chem	PROPN
eurjchem-1364	198	2	.	.	PUNCT
eurjchem-1364	199	1	chem	chem	NOUN
eurjchem-1364	199	2	.	.	PUNCT
eurjchem-1364	200	1	phys	phy	NOUN
eurjchem-1364	200	2	.	.	PUNCT
eurjchem-1364	201	1	1999	1999	NUM
eurjchem-1364	201	2	,	,	PUNCT
eurjchem-1364	201	3	1	1	NUM
eurjchem-1364	201	4	,	,	PUNCT
eurjchem-1364	201	5	3775‐3781	3775‐3781	NUM
eurjchem-1364	201	6	.	.	PUNCT
eurjchem-1364	202	1	[	[	X
eurjchem-1364	202	2	17	17	NUM
eurjchem-1364	202	3	]	]	PUNCT
eurjchem-1364	202	4	.	.	PUNCT
eurjchem-1364	203	1	may	may	AUX
eurjchem-1364	203	2	,	,	PUNCT
eurjchem-1364	203	3	k.	k.	PROPN
eurjchem-1364	203	4	;	;	PUNCT
eurjchem-1364	203	5	dopperich	dopperich	PROPN
eurjchem-1364	203	6	,	,	PUNCT
eurjchem-1364	203	7	s.	s.	PROPN
eurjchem-1364	203	8	;	;	PUNCT
eurjchem-1364	203	9	furda	furda	PROPN
eurjchem-1364	203	10	,	,	PUNCT
eurjchem-1364	203	11	f.	f.	PROPN
eurjchem-1364	203	12	;	;	PUNCT
eurjchem-1364	203	13	untereiner	untereiner	PROPN
eurjchem-1364	203	14	,	,	PUNCT
eurjchem-1364	203	15	b.	b.	PROPN
eurjchem-1364	204	1	v.	v.	PROPN
eurjchem-1364	204	2	;	;	PUNCT
eurjchem-1364	204	3	ahlrichs	ahlrichs	PROPN
eurjchem-1364	204	4	,	,	PUNCT
eurjchem-1364	204	5	r.	r.	PROPN
eurjchem-1364	204	6	phys	phys	PROPN
eurjchem-1364	204	7	.	.	PUNCT
eurjchem-1364	205	1	chem	chem	PROPN
eurjchem-1364	205	2	.	.	PUNCT
eurjchem-1364	206	1	chem	chem	NOUN
eurjchem-1364	206	2	.	.	PUNCT
eurjchem-1364	207	1	phys	phy	NOUN
eurjchem-1364	207	2	.	.	PUNCT
eurjchem-1364	208	1	2000	2000	NUM
eurjchem-1364	208	2	,	,	PUNCT
eurjchem-1364	208	3	2	2	NUM
eurjchem-1364	208	4	,	,	PUNCT
eurjchem-1364	208	5	5084‐5088	5084‐5088	NUM
eurjchem-1364	208	6	.	.	PUNCT
eurjchem-1364	209	1	[	[	X
eurjchem-1364	209	2	18	18	NUM
eurjchem-1364	209	3	]	]	PUNCT
eurjchem-1364	209	4	.	.	PUNCT
eurjchem-1364	210	1	untereiner	untereiner	PROPN
eurjchem-1364	210	2	,	,	PUNCT
eurjchem-1364	210	3	b.	b.	PROPN
eurjchem-1364	211	1	v.	v.	PROPN
eurjchem-1364	211	2	;	;	PUNCT
eurjchem-1364	211	3	sierka	sierka	PROPN
eurjchem-1364	211	4	,	,	PUNCT
eurjchem-1364	211	5	m.	m.	NOUN
eurjchem-1364	211	6	;	;	PUNCT
eurjchem-1364	211	7	ahlrichs	ahlrichs	PROPN
eurjchem-1364	211	8	,	,	PUNCT
eurjchem-1364	211	9	r.	r.	PROPN
eurjchem-1364	211	10	phys	phys	PROPN
eurjchem-1364	211	11	.	.	PUNCT
eurjchem-1364	212	1	chem	chem	PROPN
eurjchem-1364	212	2	.	.	PUNCT
eurjchem-1364	213	1	chem	chem	NOUN
eurjchem-1364	213	2	phys	phy	NOUN
eurjchem-1364	213	3	.	.	PUNCT
eurjchem-1364	214	1	2004	2004	NUM
eurjchem-1364	214	2	,	,	PUNCT
eurjchem-1364	214	3	6	6	NUM
eurjchem-1364	214	4	,	,	PUNCT
eurjchem-1364	214	5	4377‐4384	4377‐4384	NUM
eurjchem-1364	214	6	.	.	PUNCT
eurjchem-1364	215	1	[	[	X
eurjchem-1364	215	2	19	19	NUM
eurjchem-1364	215	3	]	]	PUNCT
eurjchem-1364	215	4	.	.	PUNCT
eurjchem-1364	216	1	harvey	harvey	PROPN
eurjchem-1364	216	2	,	,	PUNCT
eurjchem-1364	216	3	r.	r.	PROPN
eurjchem-1364	216	4	g.	g.	PROPN
eurjchem-1364	216	5	polycyclic	polycyclic	PROPN
eurjchem-1364	216	6	aromatic	aromatic	ADJ
eurjchem-1364	216	7	hydrocarbons	hydrocarbon	NOUN
eurjchem-1364	216	8	;	;	PUNCT
eurjchem-1364	216	9	chemistry	chemistry	NOUN
eurjchem-1364	216	10	and	and	CCONJ
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eurjchem-1364	216	12	,	,	PUNCT
eurjchem-1364	216	13	cambridge	cambridge	PROPN
eurjchem-1364	216	14	university	university	PROPN
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eurjchem-1364	216	16	,	,	PUNCT
eurjchem-1364	216	17	cambridge	cambridge	PROPN
eurjchem-1364	216	18	,	,	PUNCT
eurjchem-1364	216	19	1991	1991	NUM
eurjchem-1364	216	20	.	.	PUNCT
eurjchem-1364	217	1	[	[	X
eurjchem-1364	217	2	20	20	NUM
eurjchem-1364	217	3	]	]	PUNCT
eurjchem-1364	217	4	.	.	PUNCT
eurjchem-1364	218	1	harvey	harvey	PROPN
eurjchem-1364	218	2	,	,	PUNCT
eurjchem-1364	218	3	r.	r.	PROPN
eurjchem-1364	218	4	g.	g.	PROPN
eurjchem-1364	218	5	polycyclic	polycyclic	PROPN
eurjchem-1364	218	6	aromatic	aromatic	ADJ
eurjchem-1364	218	7	hydrocarbons	hydrocarbon	NOUN
eurjchem-1364	218	8	,	,	PUNCT
eurjchem-1364	218	9	wiley‐vch	wiley‐vch	PROPN
eurjchem-1364	218	10	,	,	PUNCT
eurjchem-1364	218	11	new	new	PROPN
eurjchem-1364	218	12	york	york	PROPN
eurjchem-1364	218	13	,	,	PUNCT
eurjchem-1364	218	14	1997	1997	NUM
eurjchem-1364	218	15	.	.	PUNCT
eurjchem-1364	219	1	[	[	X
eurjchem-1364	219	2	21	21	NUM
eurjchem-1364	219	3	]	]	PUNCT
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eurjchem-1364	219	6	,	,	PUNCT
eurjchem-1364	219	7	c.	c.	PROPN
eurjchem-1364	219	8	c.	c.	PROPN
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eurjchem-1364	220	2	.	.	PUNCT
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eurjchem-1364	221	2	,	,	PUNCT
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eurjchem-1364	221	4	,	,	PUNCT
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eurjchem-1364	221	6	89	89	NUM
eurjchem-1364	221	7	.	.	PUNCT
eurjchem-1364	222	1	[	[	X
eurjchem-1364	222	2	22	22	NUM
eurjchem-1364	222	3	]	]	PUNCT
eurjchem-1364	222	4	.	.	PUNCT
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eurjchem-1364	223	2	,	,	PUNCT
eurjchem-1364	223	3	w.	w.	PROPN
eurjchem-1364	223	4	;	;	PUNCT
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eurjchem-1364	223	6	,	,	PUNCT
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eurjchem-1364	224	2	.	.	PUNCT
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eurjchem-1364	225	3	,	,	PUNCT
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eurjchem-1364	225	5	,	,	PUNCT
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eurjchem-1364	225	7	.	.	PUNCT
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eurjchem-1364	226	3	]	]	PUNCT
eurjchem-1364	226	4	.	.	PUNCT
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eurjchem-1364	227	4	;	;	PUNCT
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eurjchem-1364	229	3	,	,	PUNCT
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eurjchem-1364	229	5	,	,	PUNCT
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eurjchem-1364	229	7	.	.	PUNCT
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eurjchem-1364	230	4	.	.	PUNCT
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eurjchem-1364	231	6	.	.	PUNCT
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eurjchem-1364	232	2	.	.	PUNCT
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eurjchem-1364	233	3	,	,	PUNCT
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eurjchem-1364	233	5	,	,	PUNCT
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eurjchem-1364	233	7	.	.	PUNCT
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eurjchem-1364	234	3	]	]	PUNCT
eurjchem-1364	234	4	.	.	PUNCT
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eurjchem-1364	235	2	,	,	PUNCT
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eurjchem-1364	235	4	;	;	PUNCT
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eurjchem-1364	235	6	,	,	PUNCT
eurjchem-1364	235	7	w.	w.	PROPN
eurjchem-1364	235	8	;	;	PUNCT
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eurjchem-1364	235	12	g.	g.	PROPN
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eurjchem-1364	235	14	.	.	PUNCT
eurjchem-1364	236	1	rev	rev	PROPN
eurjchem-1364	236	2	.	.	PROPN
eurjchem-1364	237	1	b	b	PROPN
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eurjchem-1364	237	3	,	,	PUNCT
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eurjchem-1364	237	5	,	,	PUNCT
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eurjchem-1364	237	7	.	.	PUNCT
eurjchem-1364	238	1	[	[	X
eurjchem-1364	238	2	26	26	NUM
eurjchem-1364	238	3	]	]	PUNCT
eurjchem-1364	238	4	.	.	PUNCT
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eurjchem-1364	238	8	j.	j.	PROPN
eurjchem-1364	238	9	;	;	PUNCT
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eurjchem-1364	238	11	,	,	PUNCT
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eurjchem-1364	238	13	w.	w.	PROPN
eurjchem-1364	238	14	;	;	PUNCT
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eurjchem-1364	238	17	h.	h.	PROPN
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eurjchem-1364	238	19	;	;	PUNCT
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eurjchem-1364	238	21	,	,	PUNCT
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eurjchem-1364	238	28	a.	a.	NOUN
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eurjchem-1364	238	31	cheeseman	cheeseman	PROPN
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eurjchem-1364	238	35	;	;	PUNCT
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eurjchem-1364	238	44	,	,	PUNCT
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eurjchem-1364	238	46	;	;	PUNCT
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eurjchem-1364	238	51	;	;	PUNCT
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eurjchem-1364	238	54	j.	j.	PROPN
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eurjchem-1364	238	56	;	;	PUNCT
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eurjchem-1364	238	59	j.	j.	PROPN
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eurjchem-1364	238	66	;	;	PUNCT
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eurjchem-1364	238	68	,	,	PUNCT
eurjchem-1364	238	69	j.	j.	PROPN
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eurjchem-1364	238	72	,	,	PUNCT
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eurjchem-1364	238	74	;	;	PUNCT
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eurjchem-1364	238	76	,	,	PUNCT
eurjchem-1364	238	77	b.	b.	PROPN
eurjchem-1364	238	78	;	;	PUNCT
eurjchem-1364	238	79	cossi	cossi	PROPN
eurjchem-1364	238	80	,	,	PUNCT
eurjchem-1364	238	81	m.	m.	NOUN
eurjchem-1364	238	82	;	;	PUNCT
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eurjchem-1364	238	84	,	,	PUNCT
eurjchem-1364	238	85	g.	g.	PROPN
eurjchem-1364	238	86	;	;	PUNCT
eurjchem-1364	238	87	rega	rega	PROPN
eurjchem-1364	238	88	,	,	PUNCT
eurjchem-1364	238	89	n.	n.	NOUN
eurjchem-1364	238	90	;	;	PUNCT
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eurjchem-1364	238	92	,	,	PUNCT
eurjchem-1364	238	93	g.	g.	PROPN
eurjchem-1364	238	94	a.	a.	PROPN
eurjchem-1364	238	95	;	;	PUNCT
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eurjchem-1364	238	97	,	,	PUNCT
eurjchem-1364	238	98	h.	h.	PROPN
eurjchem-1364	238	99	;	;	PUNCT
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eurjchem-1364	238	103	;	;	PUNCT
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eurjchem-1364	238	105	,	,	PUNCT
eurjchem-1364	238	106	m.	m.	NOUN
eurjchem-1364	238	107	;	;	PUNCT
eurjchem-1364	238	108	toyota	toyota	PROPN
eurjchem-1364	238	109	,	,	PUNCT
eurjchem-1364	238	110	k.	k.	PROPN
eurjchem-1364	238	111	;	;	PUNCT
eurjchem-1364	238	112	fukuda	fukuda	PROPN
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eurjchem-1364	238	115	;	;	PUNCT
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eurjchem-1364	238	118	j.	j.	PROPN
eurjchem-1364	238	119	;	;	PUNCT
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eurjchem-1364	238	121	,	,	PUNCT
eurjchem-1364	238	122	m.	m.	NOUN
eurjchem-1364	238	123	;	;	PUNCT
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eurjchem-1364	238	125	,	,	PUNCT
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eurjchem-1364	238	127	;	;	PUNCT
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eurjchem-1364	238	131	;	;	PUNCT
eurjchem-1364	238	132	kitao	kitao	PROPN
eurjchem-1364	238	133	,	,	PUNCT
eurjchem-1364	238	134	o.	o.	PROPN
eurjchem-1364	238	135	;	;	PUNCT
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eurjchem-1364	238	137	,	,	PUNCT
eurjchem-1364	238	138	h.	h.	PROPN
eurjchem-1364	238	139	;	;	PUNCT
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eurjchem-1364	238	141	,	,	PUNCT
eurjchem-1364	238	142	m.	m.	NOUN
eurjchem-1364	238	143	;	;	PUNCT
eurjchem-1364	238	144	li	li	PROPN
eurjchem-1364	238	145	,	,	PUNCT
eurjchem-1364	238	146	x.	x.	PROPN
eurjchem-1364	238	147	;	;	PUNCT
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eurjchem-1364	238	152	;	;	PUNCT
eurjchem-1364	238	153	p.	p.	PROPN
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eurjchem-1364	238	155	,	,	PUNCT
eurjchem-1364	238	156	h.	h.	PROPN
eurjchem-1364	238	157	;	;	PUNCT
eurjchem-1364	238	158	cross	cross	PROPN
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eurjchem-1364	238	160	j.	j.	PROPN
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eurjchem-1364	238	162	;	;	PUNCT
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eurjchem-1364	238	165	c.	c.	PROPN
eurjchem-1364	238	166	;	;	PUNCT
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eurjchem-1364	238	169	j.	j.	PROPN
eurjchem-1364	238	170	;	;	PUNCT
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eurjchem-1364	238	174	;	;	PUNCT
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eurjchem-1364	238	177	r.	r.	PROPN
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eurjchem-1364	238	179	;	;	PUNCT
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eurjchem-1364	238	181	,	,	PUNCT
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eurjchem-1364	238	183	;	;	PUNCT
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eurjchem-1364	238	186	a.	a.	PROPN
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eurjchem-1364	238	192	;	;	PUNCT
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eurjchem-1364	238	194	,	,	PUNCT
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eurjchem-1364	238	196	;	;	PUNCT
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eurjchem-1364	238	199	j.	j.	PROPN
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eurjchem-1364	238	201	;	;	PUNCT
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eurjchem-1364	238	206	;	;	PUNCT
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eurjchem-1364	238	210	;	;	PUNCT
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eurjchem-1364	238	213	g.	g.	PROPN
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eurjchem-1364	238	215	;	;	PUNCT
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eurjchem-1364	238	217	,	,	PUNCT
eurjchem-1364	238	218	p.	p.	PROPN
eurjchem-1364	238	219	;	;	PUNCT
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eurjchem-1364	238	221	,	,	PUNCT
eurjchem-1364	238	222	j.	j.	PROPN
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eurjchem-1364	238	224	;	;	PUNCT
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eurjchem-1364	238	226	,	,	PUNCT
eurjchem-1364	238	227	v.	v.	PROPN
eurjchem-1364	238	228	g.	g.	PROPN
eurjchem-1364	238	229	;	;	PUNCT
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eurjchem-1364	238	231	,	,	PUNCT
eurjchem-1364	238	232	s.	s.	PROPN
eurjchem-1364	238	233	;	;	PUNCT
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eurjchem-1364	238	235	,	,	PUNCT
eurjchem-1364	238	236	a.	a.	PROPN
eurjchem-1364	238	237	d.	d.	PROPN
eurjchem-1364	238	238	;	;	PUNCT
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eurjchem-1364	238	245	,	,	PUNCT
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eurjchem-1364	238	247	;	;	PUNCT
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eurjchem-1364	238	252	;	;	PUNCT
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eurjchem-1364	238	261	;	;	PUNCT
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eurjchem-1364	238	271	;	;	PUNCT
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eurjchem-1364	238	273	,	,	PUNCT
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eurjchem-1364	238	275	;	;	PUNCT
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