id	sid	tid	token	lemma	pos
eurjchem-2045	1	1	mechanistic	mechanistic	ADJ
eurjchem-2045	1	2	insight	insight	NOUN
eurjchem-2045	1	3	into	into	ADP
eurjchem-2045	1	4	propane	propane	NOUN
eurjchem-2045	1	5	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	1	6	into	into	ADP
eurjchem-2045	1	7	propylene	propylene	NOUN
eurjchem-2045	1	8	over	over	ADP
eurjchem-2045	1	9	chromium	chromium	NOUN
eurjchem-2045	1	10	(	(	PUNCT
eurjchem-2045	1	11	iii	iii	NOUN
eurjchem-2045	1	12	)	)	PUNCT
eurjchem-2045	1	13	oxide	oxide	NOUN
eurjchem-2045	1	14	by	by	ADP
eurjchem-2045	1	15	cluster	cluster	NOUN
eurjchem-2045	1	16	approach	approach	NOUN
eurjchem-2045	1	17	and	and	CCONJ
eurjchem-2045	1	18	density	density	NOUN
eurjchem-2045	1	19	functional	functional	ADJ
eurjchem-2045	1	20	theory	theory	NOUN
eurjchem-2045	1	21	calculations	calculations	PROPN
eurjchem-2045	1	22	european	european	PROPN
eurjchem-2045	1	23	journal	journal	PROPN
eurjchem-2045	1	24	of	of	ADP
eurjchem-2045	1	25	chemistry	chemistry	NOUN
eurjchem-2045	1	26	11	11	NUM
eurjchem-2045	1	27	(	(	PUNCT
eurjchem-2045	1	28	4	4	NUM
eurjchem-2045	1	29	)	)	PUNCT
eurjchem-2045	1	30	(	(	PUNCT
eurjchem-2045	1	31	2020	2020	NUM
eurjchem-2045	1	32	)	)	PUNCT
eurjchem-2045	1	33	342	342	NUM
eurjchem-2045	1	34	-	-	SYM
eurjchem-2045	1	35	350	350	NUM
eurjchem-2045	1	36	european	european	ADJ
eurjchem-2045	1	37	journal	journal	NOUN
eurjchem-2045	1	38	of	of	ADP
eurjchem-2045	1	39	chemistry	chemistry	NOUN
eurjchem-2045	1	40	issn	issn	VERB
eurjchem-2045	1	41	2153	2153	NUM
eurjchem-2045	1	42	-	-	SYM
eurjchem-2045	1	43	2249	2249	NUM
eurjchem-2045	1	44	(	(	PUNCT
eurjchem-2045	1	45	print	print	NOUN
eurjchem-2045	1	46	)	)	PUNCT
eurjchem-2045	1	47	/	/	PUNCT
eurjchem-2045	1	48	issn	issn	PROPN
eurjchem-2045	1	49	2153	2153	NUM
eurjchem-2045	1	50	-	-	SYM
eurjchem-2045	1	51	2257	2257	NUM
eurjchem-2045	1	52	(	(	PUNCT
eurjchem-2045	1	53	online	online	ADJ
eurjchem-2045	1	54	)	)	PUNCT
eurjchem-2045	1	55	–	–	PUNCT
eurjchem-2045	2	1	copyright	copyright	NOUN
eurjchem-2045	2	2	©	©	PROPN
eurjchem-2045	2	3	2020	2020	NUM
eurjchem-2045	2	4	the	the	DET
eurjchem-2045	2	5	authors	author	NOUN
eurjchem-2045	2	6	–	–	PUNCT
eurjchem-2045	2	7	atlanta	atlanta	PROPN
eurjchem-2045	2	8	publishing	publishing	PROPN
eurjchem-2045	2	9	house	house	PROPN
eurjchem-2045	2	10	llc	llc	PROPN
eurjchem-2045	2	11	–	–	PUNCT
eurjchem-2045	2	12	printed	print	VERB
eurjchem-2045	2	13	in	in	ADP
eurjchem-2045	2	14	the	the	DET
eurjchem-2045	2	15	usa	usa	PROPN
eurjchem-2045	2	16	.	.	PUNCT
eurjchem-2045	3	1	this	this	DET
eurjchem-2045	3	2	work	work	NOUN
eurjchem-2045	3	3	is	be	AUX
eurjchem-2045	3	4	published	publish	VERB
eurjchem-2045	3	5	and	and	CCONJ
eurjchem-2045	3	6	licensed	license	VERB
eurjchem-2045	3	7	by	by	ADP
eurjchem-2045	3	8	atlanta	atlanta	PROPN
eurjchem-2045	3	9	publishing	publishing	PROPN
eurjchem-2045	3	10	house	house	PROPN
eurjchem-2045	3	11	llc	llc	PROPN
eurjchem-2045	3	12	–	–	PUNCT
eurjchem-2045	3	13	cc	cc	PROPN
eurjchem-2045	3	14	by	by	ADP
eurjchem-2045	3	15	nc	nc	PROPN
eurjchem-2045	3	16	–	–	PUNCT
eurjchem-2045	3	17	some	some	DET
eurjchem-2045	3	18	rights	right	NOUN
eurjchem-2045	3	19	reserved	reserve	VERB
eurjchem-2045	3	20	.	.	PUNCT
eurjchem-2045	4	1	http://dx.doi.org/10.5155/eurjchem.11.4.342-350.2045	http://dx.doi.org/10.5155/eurjchem.11.4.342-350.2045	ADJ
eurjchem-2045	4	2	european	european	ADJ
eurjchem-2045	4	3	journal	journal	NOUN
eurjchem-2045	4	4	of	of	ADP
eurjchem-2045	4	5	chemistry	chemistry	NOUN
eurjchem-2045	4	6	view	view	NOUN
eurjchem-2045	4	7	journal	journal	PROPN
eurjchem-2045	4	8	online	online	PROPN
eurjchem-2045	4	9	view	view	NOUN
eurjchem-2045	4	10	article	article	NOUN
eurjchem-2045	4	11	online	online	PROPN
eurjchem-2045	4	12	mechanistic	mechanistic	ADJ
eurjchem-2045	4	13	insight	insight	NOUN
eurjchem-2045	4	14	into	into	ADP
eurjchem-2045	4	15	propane	propane	NOUN
eurjchem-2045	4	16	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	4	17	into	into	ADP
eurjchem-2045	4	18	propylene	propylene	NOUN
eurjchem-2045	4	19	over	over	ADP
eurjchem-2045	4	20	chromium	chromium	NOUN
eurjchem-2045	4	21	(	(	PUNCT
eurjchem-2045	4	22	iii	iii	NOUN
eurjchem-2045	4	23	)	)	PUNCT
eurjchem-2045	4	24	oxide	oxide	NOUN
eurjchem-2045	4	25	by	by	ADP
eurjchem-2045	4	26	cluster	cluster	NOUN
eurjchem-2045	4	27	approach	approach	NOUN
eurjchem-2045	4	28	and	and	CCONJ
eurjchem-2045	4	29	density	density	NOUN
eurjchem-2045	4	30	functional	functional	ADJ
eurjchem-2045	4	31	theory	theory	NOUN
eurjchem-2045	4	32	calculations	calculation	NOUN
eurjchem-2045	4	33	toyese	toyese	NOUN
eurjchem-2045	4	34	oyegoke	oyegoke	VERB
eurjchem-2045	4	35	1	1	NUM
eurjchem-2045	4	36	,	,	PUNCT
eurjchem-2045	4	37	*	*	ADJ
eurjchem-2045	4	38	,	,	PUNCT
eurjchem-2045	4	39	fadimatu	fadimatu	ADJ
eurjchem-2045	4	40	nyako	nyako	NOUN
eurjchem-2045	4	41	dabai	dabai	VERB
eurjchem-2045	4	42	1	1	NUM
eurjchem-2045	4	43	,	,	PUNCT
eurjchem-2045	4	44	adamu	adamu	PROPN
eurjchem-2045	4	45	uzairu	uzairu	PROPN
eurjchem-2045	4	46	2	2	PROPN
eurjchem-2045	4	47	and	and	CCONJ
eurjchem-2045	4	48	baba	baba	PROPN
eurjchem-2045	4	49	el	el	PROPN
eurjchem-2045	4	50	-	-	PROPN
eurjchem-2045	4	51	yakubu	yakubu	PROPN
eurjchem-2045	4	52	jibril	jibril	PROPN
eurjchem-2045	4	53	1	1	NUM
eurjchem-2045	4	54	1	1	NUM
eurjchem-2045	4	55	chemical	chemical	NOUN
eurjchem-2045	4	56	engineering	engineering	NOUN
eurjchem-2045	4	57	department	department	NOUN
eurjchem-2045	4	58	,	,	PUNCT
eurjchem-2045	4	59	faculty	faculty	NOUN
eurjchem-2045	4	60	of	of	ADP
eurjchem-2045	4	61	engineering	engineering	NOUN
eurjchem-2045	4	62	,	,	PUNCT
eurjchem-2045	4	63	ahmadu	ahmadu	PROPN
eurjchem-2045	4	64	bello	bello	PROPN
eurjchem-2045	4	65	university	university	NOUN
eurjchem-2045	4	66	,	,	PUNCT
eurjchem-2045	4	67	zaria	zaria	PROPN
eurjchem-2045	4	68	234	234	NUM
eurjchem-2045	4	69	,	,	PUNCT
eurjchem-2045	4	70	nigeria	nigeria	PROPN
eurjchem-2045	5	1	oyegoketoyese@gmail.com	oyegoketoyese@gmail.com	NOUN
eurjchem-2045	6	1	(	(	PUNCT
eurjchem-2045	6	2	o.y	o.y	PROPN
eurjchem-2045	6	3	.	.	PROPN
eurjchem-2045	6	4	)	)	PUNCT
eurjchem-2045	6	5	,	,	PUNCT
eurjchem-2045	6	6	fndabai@abu.edu.ng	fndabai@abu.edu.ng	ADJ
eurjchem-2045	6	7	(	(	PUNCT
eurjchem-2045	6	8	f.n.d	f.n.d	NOUN
eurjchem-2045	6	9	.	.	PUNCT
eurjchem-2045	6	10	)	)	PUNCT
eurjchem-2045	6	11	,	,	PUNCT
eurjchem-2045	7	1	byjibril@gmail.com	byjibril@gmail.com	X
eurjchem-2045	7	2	(	(	PUNCT
eurjchem-2045	7	3	b.y.j	b.y.j	PROPN
eurjchem-2045	7	4	.	.	PUNCT
eurjchem-2045	7	5	)	)	PUNCT
eurjchem-2045	8	1	2	2	NUM
eurjchem-2045	8	2	chemistry	chemistry	NOUN
eurjchem-2045	8	3	department	department	NOUN
eurjchem-2045	8	4	,	,	PUNCT
eurjchem-2045	8	5	faculty	faculty	NOUN
eurjchem-2045	8	6	of	of	ADP
eurjchem-2045	8	7	physical	physical	ADJ
eurjchem-2045	8	8	sciences	science	NOUN
eurjchem-2045	8	9	,	,	PUNCT
eurjchem-2045	8	10	ahmadu	ahmadu	PROPN
eurjchem-2045	8	11	bello	bello	PROPN
eurjchem-2045	8	12	university	university	NOUN
eurjchem-2045	8	13	,	,	PUNCT
eurjchem-2045	8	14	zaria	zaria	PROPN
eurjchem-2045	8	15	234	234	NUM
eurjchem-2045	8	16	,	,	PUNCT
eurjchem-2045	8	17	nigeria	nigeria	PROPN
eurjchem-2045	8	18	adamuuzairu@gmail.com	adamuuzairu@gmail.com	PROPN
eurjchem-2045	8	19	(	(	PUNCT
eurjchem-2045	8	20	a.u	a.u	PROPN
eurjchem-2045	8	21	.	.	PUNCT
eurjchem-2045	8	22	)	)	PUNCT
eurjchem-2045	9	1	*	*	PUNCT
eurjchem-2045	9	2	corresponding	correspond	VERB
eurjchem-2045	9	3	author	author	NOUN
eurjchem-2045	9	4	at	at	ADP
eurjchem-2045	9	5	:	:	PUNCT
eurjchem-2045	9	6	chemical	chemical	PROPN
eurjchem-2045	9	7	engineering	engineering	PROPN
eurjchem-2045	9	8	department	department	PROPN
eurjchem-2045	9	9	,	,	PUNCT
eurjchem-2045	9	10	faculty	faculty	NOUN
eurjchem-2045	9	11	of	of	ADP
eurjchem-2045	9	12	engineering	engineering	NOUN
eurjchem-2045	9	13	,	,	PUNCT
eurjchem-2045	9	14	ahmadu	ahmadu	PROPN
eurjchem-2045	9	15	bello	bello	PROPN
eurjchem-2045	9	16	university	university	NOUN
eurjchem-2045	9	17	,	,	PUNCT
eurjchem-2045	9	18	zaria	zaria	PROPN
eurjchem-2045	9	19	234	234	NUM
eurjchem-2045	9	20	,	,	PUNCT
eurjchem-2045	9	21	nigeria	nigeria	PROPN
eurjchem-2045	9	22	.	.	PUNCT
eurjchem-2045	10	1	e	e	X
eurjchem-2045	10	2	-	-	NOUN
eurjchem-2045	10	3	mail	mail	NOUN
eurjchem-2045	10	4	:	:	PUNCT
eurjchem-2045	10	5	toyegoke@abu.edu.ng	toyegoke@abu.edu.ng	NOUN
eurjchem-2045	10	6	(	(	PUNCT
eurjchem-2045	10	7	t.	t.	NOUN
eurjchem-2045	10	8	oyegoke	oyegoke	PROPN
eurjchem-2045	10	9	)	)	PUNCT
eurjchem-2045	10	10	.	.	PUNCT
eurjchem-2045	11	1	10.5155	10.5155	NUM
eurjchem-2045	11	2	/	/	SYM
eurjchem-2045	11	3	eurjchem.11.4.342	eurjchem.11.4.342	NUM
eurjchem-2045	11	4	-	-	PUNCT
eurjchem-2045	11	5	350.2045	350.2045	NUM
eurjchem-2045	11	6	received	receive	VERB
eurjchem-2045	11	7	:	:	PUNCT
eurjchem-2045	11	8	29	29	NUM
eurjchem-2045	11	9	september	september	PROPN
eurjchem-2045	11	10	2020	2020	NUM
eurjchem-2045	11	11	received	receive	VERB
eurjchem-2045	11	12	in	in	ADP
eurjchem-2045	11	13	revised	revise	VERB
eurjchem-2045	11	14	form	form	NOUN
eurjchem-2045	11	15	:	:	PUNCT
eurjchem-2045	11	16	30	30	NUM
eurjchem-2045	11	17	october	october	NOUN
eurjchem-2045	11	18	2020	2020	NUM
eurjchem-2045	11	19	accepted	accept	VERB
eurjchem-2045	11	20	:	:	PUNCT
eurjchem-2045	11	21	04	04	NUM
eurjchem-2045	11	22	november	november	PROPN
eurjchem-2045	11	23	2020	2020	NUM
eurjchem-2045	11	24	published	publish	VERB
eurjchem-2045	11	25	online	online	ADV
eurjchem-2045	11	26	:	:	PUNCT
eurjchem-2045	11	27	31	31	NUM
eurjchem-2045	11	28	december	december	PROPN
eurjchem-2045	11	29	2020	2020	NUM
eurjchem-2045	11	30	printed	print	VERB
eurjchem-2045	11	31	:	:	PUNCT
eurjchem-2045	11	32	31	31	NUM
eurjchem-2045	11	33	december	december	PROPN
eurjchem-2045	11	34	2020	2020	NUM
eurjchem-2045	11	35	a	a	DET
eurjchem-2045	11	36	preliminary	preliminary	ADJ
eurjchem-2045	11	37	study	study	NOUN
eurjchem-2045	11	38	to	to	PART
eurjchem-2045	11	39	provides	provide	VERB
eurjchem-2045	11	40	insight	insight	NOUN
eurjchem-2045	11	41	into	into	ADP
eurjchem-2045	11	42	the	the	DET
eurjchem-2045	11	43	kinetic	kinetic	ADJ
eurjchem-2045	11	44	and	and	CCONJ
eurjchem-2045	11	45	thermodynamic	thermodynamic	ADJ
eurjchem-2045	11	46	assessment	assessment	NOUN
eurjchem-2045	11	47	of	of	ADP
eurjchem-2045	11	48	the	the	DET
eurjchem-2045	11	49	reaction	reaction	NOUN
eurjchem-2045	11	50	mechanism	mechanism	NOUN
eurjchem-2045	11	51	involved	involve	VERB
eurjchem-2045	11	52	in	in	ADP
eurjchem-2045	11	53	the	the	DET
eurjchem-2045	11	54	non	non	ADJ
eurjchem-2045	11	55	-	-	ADJ
eurjchem-2045	11	56	oxidative	oxidative	ADJ
eurjchem-2045	11	57	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	11	58	(	(	PUNCT
eurjchem-2045	11	59	nod	nod	PROPN
eurjchem-2045	11	60	)	)	PUNCT
eurjchem-2045	11	61	of	of	ADP
eurjchem-2045	11	62	propane	propane	NOUN
eurjchem-2045	11	63	to	to	PART
eurjchem-2045	11	64	propylene	propylene	VERB
eurjchem-2045	11	65	over	over	ADP
eurjchem-2045	11	66	cr2o3	cr2o3	PROPN
eurjchem-2045	11	67	,	,	PUNCT
eurjchem-2045	11	68	using	use	VERB
eurjchem-2045	11	69	a	a	DET
eurjchem-2045	11	70	density	density	NOUN
eurjchem-2045	11	71	functional	functional	ADJ
eurjchem-2045	11	72	theory	theory	NOUN
eurjchem-2045	11	73	(	(	PUNCT
eurjchem-2045	11	74	dft	dft	NOUN
eurjchem-2045	11	75	)	)	PUNCT
eurjchem-2045	11	76	approach	approach	NOUN
eurjchem-2045	11	77	,	,	PUNCT
eurjchem-2045	11	78	has	have	AUX
eurjchem-2045	11	79	been	be	AUX
eurjchem-2045	11	80	undertaken	undertake	VERB
eurjchem-2045	11	81	.	.	PUNCT
eurjchem-2045	12	1	the	the	DET
eurjchem-2045	12	2	result	result	NOUN
eurjchem-2045	12	3	obtained	obtain	VERB
eurjchem-2045	12	4	from	from	ADP
eurjchem-2045	12	5	the	the	DET
eurjchem-2045	12	6	study	study	NOUN
eurjchem-2045	12	7	presents	present	VERB
eurjchem-2045	12	8	the	the	DET
eurjchem-2045	12	9	number	number	NOUN
eurjchem-2045	12	10	of	of	ADP
eurjchem-2045	12	11	steps	step	NOUN
eurjchem-2045	12	12	involved	involve	VERB
eurjchem-2045	12	13	in	in	ADP
eurjchem-2045	12	14	the	the	DET
eurjchem-2045	12	15	reaction	reaction	NOUN
eurjchem-2045	12	16	and	and	CCONJ
eurjchem-2045	12	17	their	their	PRON
eurjchem-2045	12	18	thermodynamic	thermodynamic	ADJ
eurjchem-2045	12	19	conditions	condition	NOUN
eurjchem-2045	12	20	across	across	ADP
eurjchem-2045	12	21	different	different	ADJ
eurjchem-2045	12	22	routes	route	NOUN
eurjchem-2045	12	23	.	.	PUNCT
eurjchem-2045	13	1	the	the	DET
eurjchem-2045	13	2	ratedetermining	ratedetermine	VERB
eurjchem-2045	13	3	step	step	NOUN
eurjchem-2045	13	4	(	(	PUNCT
eurjchem-2045	13	5	rds	rds	NOUN
eurjchem-2045	13	6	)	)	PUNCT
eurjchem-2045	13	7	and	and	CCONJ
eurjchem-2045	13	8	a	a	DET
eurjchem-2045	13	9	feasible	feasible	ADJ
eurjchem-2045	13	10	reaction	reaction	NOUN
eurjchem-2045	13	11	pathway	pathway	NOUN
eurjchem-2045	13	12	to	to	PART
eurjchem-2045	13	13	promote	promote	VERB
eurjchem-2045	13	14	propylene	propylene	NOUN
eurjchem-2045	13	15	production	production	NOUN
eurjchem-2045	13	16	were	be	AUX
eurjchem-2045	13	17	also	also	ADV
eurjchem-2045	13	18	identified	identify	VERB
eurjchem-2045	13	19	.	.	PUNCT
eurjchem-2045	14	1	the	the	DET
eurjchem-2045	14	2	results	result	NOUN
eurjchem-2045	14	3	obtained	obtain	VERB
eurjchem-2045	14	4	from	from	ADP
eurjchem-2045	14	5	the	the	DET
eurjchem-2045	14	6	study	study	NOUN
eurjchem-2045	14	7	of	of	ADP
eurjchem-2045	14	8	the	the	DET
eurjchem-2045	14	9	6	6	NUM
eurjchem-2045	14	10	-	-	PUNCT
eurjchem-2045	14	11	steps	step	NOUN
eurjchem-2045	14	12	reaction	reaction	NOUN
eurjchem-2045	14	13	mechanism	mechanism	NOUN
eurjchem-2045	14	14	for	for	ADP
eurjchem-2045	14	15	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	14	16	of	of	ADP
eurjchem-2045	14	17	propane	propane	NOUN
eurjchem-2045	14	18	into	into	ADP
eurjchem-2045	14	19	propylene	propylene	NOUN
eurjchem-2045	14	20	identified	identify	VERB
eurjchem-2045	14	21	the	the	DET
eurjchem-2045	14	22	first	first	ADJ
eurjchem-2045	14	23	hydrogen	hydrogen	NOUN
eurjchem-2045	14	24	abstraction	abstraction	NOUN
eurjchem-2045	14	25	and	and	CCONJ
eurjchem-2045	14	26	hydrogen	hydrogen	NOUN
eurjchem-2045	14	27	desorption	desorption	NOUN
eurjchem-2045	14	28	to	to	PART
eurjchem-2045	14	29	be	be	AUX
eurjchem-2045	14	30	endothermic	endothermic	ADJ
eurjchem-2045	14	31	.	.	PUNCT
eurjchem-2045	15	1	in	in	ADP
eurjchem-2045	15	2	contrast	contrast	NOUN
eurjchem-2045	15	3	,	,	PUNCT
eurjchem-2045	15	4	other	other	ADJ
eurjchem-2045	15	5	steps	step	NOUN
eurjchem-2045	15	6	that	that	PRON
eurjchem-2045	15	7	include	include	VERB
eurjchem-2045	15	8	propane	propane	NOUN
eurjchem-2045	15	9	’s	’s	PART
eurjchem-2045	15	10	adsorption	adsorption	NOUN
eurjchem-2045	15	11	,	,	PUNCT
eurjchem-2045	15	12	hydrogen	hydrogen	NOUN
eurjchem-2045	15	13	diffusion	diffusion	NOUN
eurjchem-2045	15	14	,	,	PUNCT
eurjchem-2045	15	15	and	and	CCONJ
eurjchem-2045	15	16	the	the	DET
eurjchem-2045	15	17	second	second	ADJ
eurjchem-2045	15	18	stage	stage	NOUN
eurjchem-2045	15	19	of	of	ADP
eurjchem-2045	15	20	hydrogen	hydrogen	NOUN
eurjchem-2045	15	21	abstraction	abstraction	NOUN
eurjchem-2045	15	22	were	be	AUX
eurjchem-2045	15	23	identified	identify	VERB
eurjchem-2045	15	24	as	as	ADP
eurjchem-2045	15	25	exothermic	exothermic	NOUN
eurjchem-2045	15	26	.	.	PUNCT
eurjchem-2045	16	1	the	the	DET
eurjchem-2045	16	2	study	study	NOUN
eurjchem-2045	16	3	of	of	ADP
eurjchem-2045	16	4	different	different	ADJ
eurjchem-2045	16	5	reaction	reaction	NOUN
eurjchem-2045	16	6	routes	route	NOUN
eurjchem-2045	16	7	presented	present	VERB
eurjchem-2045	16	8	in	in	ADP
eurjchem-2045	16	9	the	the	DET
eurjchem-2045	16	10	energy	energy	NOUN
eurjchem-2045	16	11	profiles	profile	NOUN
eurjchem-2045	16	12	confirms	confirm	VERB
eurjchem-2045	16	13	the	the	DET
eurjchem-2045	16	14	cr	cr	PROPN
eurjchem-2045	16	15	-	-	PUNCT
eurjchem-2045	16	16	o	o	PROPN
eurjchem-2045	16	17	(	(	PUNCT
eurjchem-2045	16	18	s1	s1	NOUN
eurjchem-2045	16	19	,	,	PUNCT
eurjchem-2045	16	20	that	that	ADV
eurjchem-2045	16	21	is	is	ADV
eurjchem-2045	16	22	,	,	PUNCT
eurjchem-2045	16	23	the	the	DET
eurjchem-2045	16	24	reaction	reaction	NOUN
eurjchem-2045	16	25	pathway	pathway	NOUN
eurjchem-2045	16	26	that	that	PRON
eurjchem-2045	16	27	activates	activate	VERB
eurjchem-2045	16	28	the	the	DET
eurjchem-2045	16	29	propane	propane	NOUN
eurjchem-2045	16	30	across	across	ADP
eurjchem-2045	16	31	the	the	DET
eurjchem-2045	16	32	cr	cr	PROPN
eurjchem-2045	16	33	-	-	PUNCT
eurjchem-2045	16	34	o	o	NOUN
eurjchem-2045	16	35	site	site	NOUN
eurjchem-2045	16	36	at	at	ADP
eurjchem-2045	16	37	the	the	DET
eurjchem-2045	16	38	alpha	alpha	NOUN
eurjchem-2045	16	39	or	or	CCONJ
eurjchem-2045	16	40	the	the	DET
eurjchem-2045	16	41	terminal	terminal	ADJ
eurjchem-2045	16	42	carbon	carbon	NOUN
eurjchem-2045	16	43	of	of	ADP
eurjchem-2045	16	44	the	the	DET
eurjchem-2045	16	45	propane	propane	NOUN
eurjchem-2045	16	46	)	)	PUNCT
eurjchem-2045	16	47	pathway	pathway	NOUN
eurjchem-2045	16	48	to	to	PART
eurjchem-2045	16	49	be	be	AUX
eurjchem-2045	16	50	the	the	DET
eurjchem-2045	16	51	thermodynamically	thermodynamically	ADV
eurjchem-2045	16	52	feasible	feasible	ADJ
eurjchem-2045	16	53	pathway	pathway	NOUN
eurjchem-2045	16	54	for	for	ADP
eurjchem-2045	16	55	the	the	DET
eurjchem-2045	16	56	production	production	NOUN
eurjchem-2045	16	57	of	of	ADP
eurjchem-2045	16	58	propylene	propylene	NOUN
eurjchem-2045	16	59	.	.	PUNCT
eurjchem-2045	17	1	the	the	DET
eurjchem-2045	17	2	first	first	ADJ
eurjchem-2045	17	3	hydrogen	hydrogen	NOUN
eurjchem-2045	17	4	abstraction	abstraction	NOUN
eurjchem-2045	17	5	step	step	NOUN
eurjchem-2045	17	6	was	be	AUX
eurjchem-2045	17	7	identified	identify	VERB
eurjchem-2045	17	8	as	as	ADP
eurjchem-2045	17	9	the	the	DET
eurjchem-2045	17	10	potential	potential	ADJ
eurjchem-2045	17	11	rate	rate	NOUN
eurjchem-2045	17	12	-	-	PUNCT
eurjchem-2045	17	13	determining	determine	VERB
eurjchem-2045	17	14	step	step	NOUN
eurjchem-2045	17	15	for	for	ADP
eurjchem-2045	17	16	defining	define	VERB
eurjchem-2045	17	17	the	the	DET
eurjchem-2045	17	18	rate	rate	NOUN
eurjchem-2045	17	19	of	of	ADP
eurjchem-2045	17	20	the	the	DET
eurjchem-2045	17	21	propane	propane	NOUN
eurjchem-2045	17	22	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	17	23	process	process	NOUN
eurjchem-2045	17	24	.	.	PUNCT
eurjchem-2045	18	1	this	this	DET
eurjchem-2045	18	2	study	study	NOUN
eurjchem-2045	18	3	also	also	ADV
eurjchem-2045	18	4	unveils	unveil	VERB
eurjchem-2045	18	5	that	that	SCONJ
eurjchem-2045	18	6	the	the	DET
eurjchem-2045	18	7	significant	significant	ADJ
eurjchem-2045	18	8	participation	participation	NOUN
eurjchem-2045	18	9	of	of	ADP
eurjchem-2045	18	10	cr	cr	NOUN
eurjchem-2045	18	11	sites	site	NOUN
eurjchem-2045	18	12	in	in	ADP
eurjchem-2045	18	13	the	the	DET
eurjchem-2045	18	14	propane	propane	NOUN
eurjchem-2045	18	15	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	18	16	process	process	NOUN
eurjchem-2045	18	17	and	and	CCONJ
eurjchem-2045	18	18	how	how	SCONJ
eurjchem-2045	18	19	the	the	DET
eurjchem-2045	18	20	cr	cr	PROPN
eurjchem-2045	18	21	high	high	PROPN
eurjchem-2045	18	22	surface	surface	NOUN
eurjchem-2045	18	23	concentration	concentration	NOUN
eurjchem-2045	18	24	would	would	AUX
eurjchem-2045	18	25	hinder	hinder	VERB
eurjchem-2045	18	26	the	the	DET
eurjchem-2045	18	27	desorption	desorption	NOUN
eurjchem-2045	18	28	of	of	ADP
eurjchem-2045	18	29	propylene	propylene	NOUN
eurjchem-2045	18	30	and	and	CCONJ
eurjchem-2045	18	31	thereby	thereby	ADV
eurjchem-2045	18	32	promote	promote	VERB
eurjchem-2045	18	33	the	the	DET
eurjchem-2045	18	34	production	production	NOUN
eurjchem-2045	18	35	of	of	ADP
eurjchem-2045	18	36	undesired	undesired	ADJ
eurjchem-2045	18	37	products	product	NOUN
eurjchem-2045	18	38	due	due	ADP
eurjchem-2045	18	39	to	to	ADP
eurjchem-2045	18	40	the	the	DET
eurjchem-2045	18	41	stronger	strong	ADJ
eurjchem-2045	18	42	affinity	affinity	NOUN
eurjchem-2045	18	43	that	that	PRON
eurjchem-2045	18	44	exists	exist	VERB
eurjchem-2045	18	45	between	between	ADP
eurjchem-2045	18	46	the	the	DET
eurjchem-2045	18	47	propylene	propylene	NOUN
eurjchem-2045	18	48	and	and	CCONJ
eurjchem-2045	18	49	cr	cr	PROPN
eurjchem-2045	18	50	-	-	PUNCT
eurjchem-2045	18	51	cr	cr	PROPN
eurjchem-2045	18	52	site	site	NOUN
eurjchem-2045	18	53	,	,	PUNCT
eurjchem-2045	18	54	which	which	PRON
eurjchem-2045	18	55	makes	make	VERB
eurjchem-2045	18	56	it	it	PRON
eurjchem-2045	18	57	more	more	ADV
eurjchem-2045	18	58	stable	stable	ADJ
eurjchem-2045	18	59	on	on	ADP
eurjchem-2045	18	60	the	the	DET
eurjchem-2045	18	61	surface	surface	NOUN
eurjchem-2045	18	62	.	.	PUNCT
eurjchem-2045	19	1	these	these	DET
eurjchem-2045	19	2	findings	finding	NOUN
eurjchem-2045	19	3	thereby	thereby	ADV
eurjchem-2045	19	4	result	result	VERB
eurjchem-2045	19	5	in	in	ADP
eurjchem-2045	19	6	cr	cr	NOUN
eurjchem-2045	19	7	-	-	PUNCT
eurjchem-2045	19	8	site	site	NOUN
eurjchem-2045	19	9	substitution	substitution	NOUN
eurjchem-2045	19	10	suggestion	suggestion	NOUN
eurjchem-2045	19	11	to	to	PART
eurjchem-2045	19	12	prevent	prevent	VERB
eurjchem-2045	19	13	deep	deep	ADJ
eurjchem-2045	19	14	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	19	15	in	in	ADP
eurjchem-2045	19	16	propane	propane	NOUN
eurjchem-2045	19	17	conversion	conversion	NOUN
eurjchem-2045	19	18	to	to	ADP
eurjchem-2045	19	19	propylene	propylene	NOUN
eurjchem-2045	19	20	.	.	PUNCT
eurjchem-2045	20	1	this	this	DET
eurjchem-2045	20	2	insight	insight	NOUN
eurjchem-2045	20	3	would	would	AUX
eurjchem-2045	20	4	aid	aid	VERB
eurjchem-2045	20	5	in	in	ADP
eurjchem-2045	20	6	improving	improve	VERB
eurjchem-2045	20	7	the	the	DET
eurjchem-2045	20	8	catalyst	catalyst	NOUN
eurjchem-2045	20	9	performance	performance	NOUN
eurjchem-2045	20	10	.	.	PUNCT
eurjchem-2045	21	1	propane	propane	NOUN
eurjchem-2045	21	2	propylene	propylene	NOUN
eurjchem-2045	21	3	cluster	cluster	NOUN
eurjchem-2045	21	4	approach	approach	NOUN
eurjchem-2045	21	5	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	21	6	reaction	reaction	NOUN
eurjchem-2045	21	7	mechanisms	mechanism	VERB
eurjchem-2045	21	8	density	density	NOUN
eurjchem-2045	21	9	functional	functional	ADJ
eurjchem-2045	21	10	calculation	calculation	NOUN
eurjchem-2045	21	11	cite	cite	VERB
eurjchem-2045	21	12	this	this	PRON
eurjchem-2045	21	13	:	:	PUNCT
eurjchem-2045	22	1	eur	eur	PROPN
eurjchem-2045	22	2	.	.	PUNCT
eurjchem-2045	23	1	j.	j.	PROPN
eurjchem-2045	23	2	chem	chem	PROPN
eurjchem-2045	23	3	.	.	PUNCT
eurjchem-2045	24	1	2020	2020	NUM
eurjchem-2045	24	2	,	,	PUNCT
eurjchem-2045	24	3	11(4	11(4	NUM
eurjchem-2045	24	4	)	)	PUNCT
eurjchem-2045	24	5	,	,	PUNCT
eurjchem-2045	24	6	342	342	NUM
eurjchem-2045	24	7	-	-	SYM
eurjchem-2045	24	8	350	350	NUM
eurjchem-2045	24	9	journal	journal	NOUN
eurjchem-2045	24	10	website	website	NOUN
eurjchem-2045	24	11	:	:	PUNCT
eurjchem-2045	24	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2045	24	13	1	1	X
eurjchem-2045	24	14	.	.	PUNCT
eurjchem-2045	24	15	introduction	introduction	NOUN
eurjchem-2045	24	16	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	24	17	is	be	AUX
eurjchem-2045	24	18	well	well	ADV
eurjchem-2045	24	19	known	known	ADJ
eurjchem-2045	24	20	to	to	PART
eurjchem-2045	24	21	be	be	AUX
eurjchem-2045	24	22	a	a	DET
eurjchem-2045	24	23	value	value	NOUN
eurjchem-2045	24	24	addition	addition	NOUN
eurjchem-2045	24	25	process	process	NOUN
eurjchem-2045	24	26	,	,	PUNCT
eurjchem-2045	24	27	especially	especially	ADV
eurjchem-2045	24	28	for	for	ADP
eurjchem-2045	24	29	saturated	saturated	ADJ
eurjchem-2045	24	30	hydrocarbons	hydrocarbon	NOUN
eurjchem-2045	24	31	.	.	PUNCT
eurjchem-2045	25	1	it	it	PRON
eurjchem-2045	25	2	is	be	AUX
eurjchem-2045	25	3	a	a	DET
eurjchem-2045	25	4	highly	highly	ADV
eurjchem-2045	25	5	endothermic	endothermic	ADJ
eurjchem-2045	25	6	process	process	NOUN
eurjchem-2045	25	7	that	that	PRON
eurjchem-2045	25	8	requires	require	VERB
eurjchem-2045	25	9	temperature	temperature	NOUN
eurjchem-2045	25	10	of	of	ADP
eurjchem-2045	25	11	500	500	NUM
eurjchem-2045	25	12	°	°	NOUN
eurjchem-2045	25	13	c	c	NOUN
eurjchem-2045	25	14	and	and	CCONJ
eurjchem-2045	25	15	above	above	ADP
eurjchem-2045	25	16	[	[	X
eurjchem-2045	25	17	1,2	1,2	NUM
eurjchem-2045	25	18	]	]	PUNCT
eurjchem-2045	25	19	.	.	PUNCT
eurjchem-2045	26	1	such	such	ADJ
eurjchem-2045	26	2	severe	severe	ADJ
eurjchem-2045	26	3	reaction	reaction	NOUN
eurjchem-2045	26	4	conditions	condition	NOUN
eurjchem-2045	26	5	lead	lead	VERB
eurjchem-2045	26	6	to	to	ADP
eurjchem-2045	26	7	cracking	cracking	NOUN
eurjchem-2045	26	8	of	of	ADP
eurjchem-2045	26	9	both	both	CCONJ
eurjchem-2045	26	10	the	the	DET
eurjchem-2045	26	11	reactant	reactant	NOUN
eurjchem-2045	26	12	and	and	CCONJ
eurjchem-2045	26	13	products	product	NOUN
eurjchem-2045	26	14	and	and	CCONJ
eurjchem-2045	26	15	catalyst	catalyst	NOUN
eurjchem-2045	26	16	deactivation	deactivation	NOUN
eurjchem-2045	26	17	due	due	ADP
eurjchem-2045	26	18	to	to	ADP
eurjchem-2045	26	19	coke	coke	NOUN
eurjchem-2045	26	20	deposition	deposition	NOUN
eurjchem-2045	26	21	.	.	PUNCT
eurjchem-2045	27	1	the	the	DET
eurjchem-2045	27	2	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	27	3	process	process	NOUN
eurjchem-2045	27	4	involves	involve	VERB
eurjchem-2045	27	5	converting	convert	VERB
eurjchem-2045	27	6	materials	material	NOUN
eurjchem-2045	27	7	like	like	ADP
eurjchem-2045	27	8	alkanes	alkane	NOUN
eurjchem-2045	27	9	,	,	PUNCT
eurjchem-2045	27	10	which	which	PRON
eurjchem-2045	27	11	are	be	AUX
eurjchem-2045	27	12	of	of	ADP
eurjchem-2045	27	13	low	low	ADJ
eurjchem-2045	27	14	value	value	NOUN
eurjchem-2045	27	15	,	,	PUNCT
eurjchem-2045	27	16	to	to	ADP
eurjchem-2045	27	17	alkenes	alkene	NOUN
eurjchem-2045	27	18	,	,	PUNCT
eurjchem-2045	27	19	which	which	PRON
eurjchem-2045	27	20	are	be	AUX
eurjchem-2045	27	21	known	know	VERB
eurjchem-2045	27	22	to	to	PART
eurjchem-2045	27	23	be	be	AUX
eurjchem-2045	27	24	more	more	ADV
eurjchem-2045	27	25	reactive	reactive	ADJ
eurjchem-2045	27	26	and	and	CCONJ
eurjchem-2045	27	27	valuable	valuable	ADJ
eurjchem-2045	27	28	;	;	PUNCT
eurjchem-2045	27	29	an	an	DET
eurjchem-2045	27	30	example	example	NOUN
eurjchem-2045	27	31	of	of	ADP
eurjchem-2045	27	32	this	this	PRON
eurjchem-2045	27	33	is	be	AUX
eurjchem-2045	27	34	propane	propane	NOUN
eurjchem-2045	27	35	conversion	conversion	NOUN
eurjchem-2045	27	36	to	to	ADP
eurjchem-2045	27	37	propylene	propylene	NOUN
eurjchem-2045	27	38	.	.	PUNCT
eurjchem-2045	28	1	propylene	propylene	NOUN
eurjchem-2045	28	2	serves	serve	VERB
eurjchem-2045	28	3	as	as	ADP
eurjchem-2045	28	4	precursors	precursor	NOUN
eurjchem-2045	28	5	to	to	ADP
eurjchem-2045	28	6	essential	essential	ADJ
eurjchem-2045	28	7	products	product	NOUN
eurjchem-2045	28	8	such	such	ADJ
eurjchem-2045	28	9	as	as	ADP
eurjchem-2045	28	10	alcohols	alcohol	NOUN
eurjchem-2045	28	11	,	,	PUNCT
eurjchem-2045	28	12	aromatics	aromatic	NOUN
eurjchem-2045	28	13	,	,	PUNCT
eurjchem-2045	28	14	aldehydes	aldehyde	NOUN
eurjchem-2045	28	15	,	,	PUNCT
eurjchem-2045	28	16	and	and	CCONJ
eurjchem-2045	28	17	polymer	polymer	NOUN
eurjchem-2045	28	18	production	production	NOUN
eurjchem-2045	28	19	[	[	X
eurjchem-2045	28	20	1	1	NUM
eurjchem-2045	28	21	]	]	PUNCT
eurjchem-2045	28	22	.	.	PUNCT
eurjchem-2045	29	1	it	it	PRON
eurjchem-2045	29	2	is	be	AUX
eurjchem-2045	29	3	one	one	NUM
eurjchem-2045	29	4	of	of	ADP
eurjchem-2045	29	5	the	the	DET
eurjchem-2045	29	6	most	most	ADV
eurjchem-2045	29	7	vital	vital	ADJ
eurjchem-2045	29	8	building	building	NOUN
eurjchem-2045	29	9	blocks	block	NOUN
eurjchem-2045	29	10	in	in	ADP
eurjchem-2045	29	11	the	the	DET
eurjchem-2045	29	12	world	world	NOUN
eurjchem-2045	29	13	petrochemical	petrochemical	NOUN
eurjchem-2045	29	14	industry	industry	NOUN
eurjchem-2045	29	15	,	,	PUNCT
eurjchem-2045	29	16	where	where	SCONJ
eurjchem-2045	29	17	it	it	PRON
eurjchem-2045	29	18	finds	find	VERB
eurjchem-2045	29	19	applications	application	NOUN
eurjchem-2045	29	20	in	in	ADP
eurjchem-2045	29	21	the	the	DET
eurjchem-2045	29	22	production	production	NOUN
eurjchem-2045	29	23	of	of	ADP
eurjchem-2045	29	24	propylene	propylene	NOUN
eurjchem-2045	29	25	oxide	oxide	NOUN
eurjchem-2045	29	26	,	,	PUNCT
eurjchem-2045	29	27	isopropanol	isopropanol	NOUN
eurjchem-2045	29	28	,	,	PUNCT
eurjchem-2045	29	29	polypropylene	polypropylene	NOUN
eurjchem-2045	29	30	,	,	PUNCT
eurjchem-2045	29	31	and	and	CCONJ
eurjchem-2045	29	32	acrylonitrile	acrylonitrile	NOUN
eurjchem-2045	30	1	[	[	X
eurjchem-2045	30	2	3,4	3,4	NUM
eurjchem-2045	30	3	]	]	PUNCT
eurjchem-2045	30	4	.	.	PUNCT
eurjchem-2045	31	1	research	research	NOUN
eurjchem-2045	31	2	has	have	AUX
eurjchem-2045	31	3	been	be	AUX
eurjchem-2045	31	4	carried	carry	VERB
eurjchem-2045	31	5	out	out	ADP
eurjchem-2045	31	6	to	to	PART
eurjchem-2045	31	7	improve	improve	VERB
eurjchem-2045	31	8	the	the	DET
eurjchem-2045	31	9	efficiency	efficiency	NOUN
eurjchem-2045	31	10	and	and	CCONJ
eurjchem-2045	31	11	effectiveness	effectiveness	NOUN
eurjchem-2045	31	12	of	of	ADP
eurjchem-2045	31	13	propane	propane	NOUN
eurjchem-2045	31	14	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	31	15	into	into	ADP
eurjchem-2045	31	16	propylene	propylene	NOUN
eurjchem-2045	31	17	.	.	PUNCT
eurjchem-2045	32	1	for	for	ADP
eurjchem-2045	32	2	example	example	NOUN
eurjchem-2045	32	3	,	,	PUNCT
eurjchem-2045	32	4	yan	yan	PROPN
eurjchem-2045	32	5	et	et	PROPN
eurjchem-2045	32	6	al	al	PROPN
eurjchem-2045	32	7	.	.	PUNCT
eurjchem-2045	33	1	[	[	X
eurjchem-2045	33	2	5	5	NUM
eurjchem-2045	33	3	]	]	PUNCT
eurjchem-2045	33	4	employed	employ	VERB
eurjchem-2045	33	5	a	a	DET
eurjchem-2045	33	6	dft	dft	NOUN
eurjchem-2045	33	7	calculation	calculation	NOUN
eurjchem-2045	33	8	to	to	PART
eurjchem-2045	33	9	examine	examine	VERB
eurjchem-2045	33	10	gallium	gallium	NOUN
eurjchem-2045	33	11	oxide	oxide	NOUN
eurjchem-2045	33	12	’s	’s	PART
eurjchem-2045	33	13	effectiveness	effectiveness	NOUN
eurjchem-2045	33	14	in	in	ADP
eurjchem-2045	33	15	enhancing	enhance	VERB
eurjchem-2045	33	16	propane	propane	NOUN
eurjchem-2045	33	17	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	33	18	.	.	PUNCT
eurjchem-2045	34	1	the	the	DET
eurjchem-2045	34	2	study	study	NOUN
eurjchem-2045	34	3	proposed	propose	VERB
eurjchem-2045	34	4	a	a	DET
eurjchem-2045	34	5	radical	radical	ADJ
eurjchem-2045	34	6	mechanism	mechanism	NOUN
eurjchem-2045	34	7	and	and	CCONJ
eurjchem-2045	34	8	identified	identify	VERB
eurjchem-2045	34	9	h	h	NOUN
eurjchem-2045	34	10	’s	’s	PART
eurjchem-2045	34	11	abstraction	abstraction	NOUN
eurjchem-2045	34	12	from	from	ADP
eurjchem-2045	34	13	the	the	DET
eurjchem-2045	34	14	propyl	propyl	ADJ
eurjchem-2045	34	15	species	specie	NOUN
eurjchem-2045	34	16	as	as	ADP
eurjchem-2045	34	17	the	the	DET
eurjchem-2045	34	18	ratedetermining	ratedetermining	NOUN
eurjchem-2045	34	19	step	step	NOUN
eurjchem-2045	34	20	.	.	PUNCT
eurjchem-2045	35	1	it	it	PRON
eurjchem-2045	35	2	was	be	AUX
eurjchem-2045	35	3	also	also	ADV
eurjchem-2045	35	4	identified	identify	VERB
eurjchem-2045	35	5	that	that	SCONJ
eurjchem-2045	35	6	the	the	DET
eurjchem-2045	35	7	propane	propane	NOUN
eurjchem-2045	35	8	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	35	9	over	over	ADP
eurjchem-2045	35	10	ga2o3(100	ga2o3(100	PROPN
eurjchem-2045	35	11	)	)	PUNCT
eurjchem-2045	35	12	was	be	AUX
eurjchem-2045	35	13	majorly	majorly	ADV
eurjchem-2045	35	14	driven	drive	VERB
eurjchem-2045	35	15	by	by	ADP
eurjchem-2045	35	16	the	the	DET
eurjchem-2045	35	17	ga	ga	PROPN
eurjchem-2045	35	18	site	site	NOUN
eurjchem-2045	35	19	,	,	PUNCT
eurjchem-2045	35	20	which	which	PRON
eurjchem-2045	35	21	was	be	AUX
eurjchem-2045	35	22	reported	report	VERB
eurjchem-2045	35	23	to	to	PART
eurjchem-2045	35	24	actively	actively	ADV
eurjchem-2045	35	25	promote	promote	VERB
eurjchem-2045	35	26	the	the	DET
eurjchem-2045	35	27	production	production	NOUN
eurjchem-2045	35	28	of	of	ADP
eurjchem-2045	35	29	propylene	propylene	NOUN
eurjchem-2045	35	30	on	on	ADP
eurjchem-2045	35	31	the	the	DET
eurjchem-2045	35	32	gallium	gallium	NOUN
eurjchem-2045	35	33	oxide	oxide	NOUN
eurjchem-2045	35	34	surface	surface	NOUN
eurjchem-2045	35	35	.	.	PUNCT
eurjchem-2045	36	1	another	another	DET
eurjchem-2045	36	2	dft	dft	PROPN
eurjchem-2045	36	3	calculation	calculation	NOUN
eurjchem-2045	36	4	,	,	PUNCT
eurjchem-2045	36	5	studied	study	VERB
eurjchem-2045	36	6	by	by	ADP
eurjchem-2045	36	7	ming	ming	PROPN
eurjchem-2045	36	8	-	-	PUNCT
eurjchem-2045	36	9	lei	lei	X
eurjchem-2045	36	10	et	et	PROPN
eurjchem-2045	36	11	al	al	PROPN
eurjchem-2045	36	12	.	.	PUNCT
eurjchem-2045	37	1	[	[	X
eurjchem-2045	37	2	6	6	NUM
eurjchem-2045	37	3	]	]	PUNCT
eurjchem-2045	37	4	,	,	PUNCT
eurjchem-2045	37	5	showed	show	VERB
eurjchem-2045	37	6	that	that	SCONJ
eurjchem-2045	37	7	with	with	ADP
eurjchem-2045	37	8	sn	sn	PROPN
eurjchem-2045	37	9	on	on	ADP
eurjchem-2045	37	10	pt	pt	PROPN
eurjchem-2045	37	11	catalyst	catalyst	NOUN
eurjchem-2045	37	12	,	,	PUNCT
eurjchem-2045	37	13	the	the	DET
eurjchem-2045	37	14	pt	pt	NOUN
eurjchem-2045	37	15	d	d	X
eurjchem-2045	37	16	-	-	NOUN
eurjchem-2045	37	17	band	band	NOUN
eurjchem-2045	37	18	broadened	broaden	VERB
eurjchem-2045	37	19	,	,	PUNCT
eurjchem-2045	37	20	which	which	PRON
eurjchem-2045	37	21	gave	give	VERB
eurjchem-2045	37	22	rise	rise	NOUN
eurjchem-2045	37	23	to	to	ADP
eurjchem-2045	37	24	a	a	DET
eurjchem-2045	37	25	downshift	downshift	NOUN
eurjchem-2045	37	26	in	in	ADP
eurjchem-2045	37	27	the	the	DET
eurjchem-2045	37	28	d	d	NOUN
eurjchem-2045	37	29	-	-	NOUN
eurjchem-2045	37	30	band	band	NOUN
eurjchem-2045	37	31	on	on	ADP
eurjchem-2045	37	32	the	the	DET
eurjchem-2045	37	33	ptsn	ptsn	NOUN
eurjchem-2045	37	34	surface	surface	NOUN
eurjchem-2045	37	35	.	.	PUNCT
eurjchem-2045	38	1	the	the	DET
eurjchem-2045	38	2	propyl	propyl	NOUN
eurjchem-2045	38	3	and	and	CCONJ
eurjchem-2045	38	4	propylene	propylene	NOUN
eurjchem-2045	38	5	bond	bond	NOUN
eurjchem-2045	38	6	strength	strength	NOUN
eurjchem-2045	38	7	to	to	ADP
eurjchem-2045	38	8	the	the	DET
eurjchem-2045	38	9	alloyed	alloy	VERB
eurjchem-2045	38	10	surfaces	surface	NOUN
eurjchem-2045	38	11	was	be	AUX
eurjchem-2045	38	12	confirmed	confirm	VERB
eurjchem-2045	38	13	to	to	PART
eurjchem-2045	38	14	be	be	AUX
eurjchem-2045	38	15	lowered	lower	VERB
eurjchem-2045	38	16	,	,	PUNCT
eurjchem-2045	38	17	which	which	PRON
eurjchem-2045	38	18	resulted	result	VERB
eurjchem-2045	38	19	in	in	ADP
eurjchem-2045	38	20	the	the	DET
eurjchem-2045	38	21	simultaneous	simultaneous	ADJ
eurjchem-2045	38	22	decrease	decrease	NOUN
eurjchem-2045	38	23	in	in	ADP
eurjchem-2045	38	24	the	the	DET
eurjchem-2045	38	25	activation	activation	NOUN
eurjchem-2045	38	26	energy	energy	NOUN
eurjchem-2045	38	27	(	(	PUNCT
eurjchem-2045	38	28	or	or	CCONJ
eurjchem-2045	38	29	barrier	barrier	NOUN
eurjchem-2045	38	30	)	)	PUNCT
eurjchem-2045	38	31	for	for	ADP
eurjchem-2045	38	32	propylene	propylene	NOUN
eurjchem-2045	38	33	desorption	desorption	NOUN
eurjchem-2045	38	34	and	and	CCONJ
eurjchem-2045	38	35	an	an	DET
eurjchem-2045	38	36	increase	increase	NOUN
eurjchem-2045	38	37	in	in	ADP
eurjchem-2045	38	38	the	the	DET
eurjchem-2045	38	39	activation	activation	NOUN
eurjchem-2045	38	40	barrier	barrier	NOUN
eurjchem-2045	38	41	for	for	ADP
eurjchem-2045	38	42	propylene	propylene	NOUN
eurjchem-2045	38	43	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	38	44	.	.	PUNCT
eurjchem-2045	39	1	abstract	abstract	ADJ
eurjchem-2045	39	2	research	research	NOUN
eurjchem-2045	39	3	article	article	NOUN
eurjchem-2045	39	4	keywords	keyword	VERB
eurjchem-2045	39	5	http://dx.doi.org/10.5155/eurjchem.11.4.342-350.2045	http://dx.doi.org/10.5155/eurjchem.11.4.342-350.2045	ADJ
eurjchem-2045	39	6	http://www.eurjchem.com/	http://www.eurjchem.com/	NOUN
eurjchem-2045	39	7	http://dx.doi.org/10.5155/eurjchem.11.4.342-350.2045	http://dx.doi.org/10.5155/eurjchem.11.4.342-350.2045	ADJ
eurjchem-2045	39	8	mailto:oyegoketoyese@gmail.com	mailto:oyegoketoyese@gmail.com	X
eurjchem-2045	39	9	mailto:fndabai@abu.edu.ng	mailto:fndabai@abu.edu.ng	AUX
eurjchem-2045	39	10	mailto:byjibril@gmail.com	mailto:byjibril@gmail.com	X
eurjchem-2045	39	11	mailto:adamuuzairu@gmail.com	mailto:adamuuzairu@gmail.com	PROPN
eurjchem-2045	39	12	mailto:toyegoke@abu.edu.ng	mailto:toyegoke@abu.edu.ng	NOUN
eurjchem-2045	39	13	http://www.eurjchem.com/	http://www.eurjchem.com/	PROPN
eurjchem-2045	39	14	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.11.4.342-350.2045&domain=pdf&date_stamp=2020-12-31	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.11.4.342-350.2045&domain=pdf&date_stamp=2020-12-31	PROPN
eurjchem-2045	39	15	oyegoke	oyegoke	VERB
eurjchem-2045	39	16	et	et	PROPN
eurjchem-2045	39	17	al	al	PROPN
eurjchem-2045	39	18	.	.	PUNCT
eurjchem-2045	39	19	/	/	SYM
eurjchem-2045	39	20	european	european	PROPN
eurjchem-2045	39	21	journal	journal	PROPN
eurjchem-2045	39	22	of	of	ADP
eurjchem-2045	39	23	chemistry	chemistry	NOUN
eurjchem-2045	39	24	11	11	NUM
eurjchem-2045	39	25	(	(	PUNCT
eurjchem-2045	39	26	4	4	NUM
eurjchem-2045	39	27	)	)	PUNCT
eurjchem-2045	39	28	(	(	PUNCT
eurjchem-2045	39	29	2020	2020	NUM
eurjchem-2045	39	30	)	)	PUNCT
eurjchem-2045	39	31	342	342	NUM
eurjchem-2045	39	32	-	-	SYM
eurjchem-2045	39	33	350	350	NUM
eurjchem-2045	39	34	343	343	NUM
eurjchem-2045	39	35	2020	2020	NUM
eurjchem-2045	39	36	–	–	PUNCT
eurjchem-2045	39	37	european	european	ADJ
eurjchem-2045	39	38	journal	journal	NOUN
eurjchem-2045	39	39	of	of	ADP
eurjchem-2045	39	40	chemistry	chemistry	NOUN
eurjchem-2045	39	41	–	–	PUNCT
eurjchem-2045	39	42	cc	cc	NOUN
eurjchem-2045	39	43	by	by	ADP
eurjchem-2045	39	44	nc	nc	PROPN
eurjchem-2045	39	45	–	–	PUNCT
eurjchem-2045	39	46	doi	doi	NOUN
eurjchem-2045	39	47	:	:	PUNCT
eurjchem-2045	39	48	10.5155	10.5155	NUM
eurjchem-2045	39	49	/	/	SYM
eurjchem-2045	39	50	eurjchem.11.4.342	eurjchem.11.4.342	NUM
eurjchem-2045	39	51	-	-	PUNCT
eurjchem-2045	39	52	350.2045	350.2045	NUM
eurjchem-2045	39	53	𝐻𝐻𝑙𝑙𝑙𝑙𝑙𝑙𝑙𝑙𝑙𝑙𝑙𝑙(t	𝐻𝐻𝑙𝑙𝑙𝑙𝑙𝑙𝑙𝑙𝑙𝑙𝑙𝑙(t	NOUN
eurjchem-2045	39	54	)	)	PUNCT
eurjchem-2045	39	55	=	=	SYM
eurjchem-2045	39	56	�	�	PROPN
eurjchem-2045	39	57	5	5	NUM
eurjchem-2045	39	58	2	2	NUM
eurjchem-2045	39	59	𝑅𝑅𝑅𝑅	𝑅𝑅𝑅𝑅	PROPN
eurjchem-2045	39	60	�	�	PROPN
eurjchem-2045	39	61	𝑡𝑡𝑙𝑙𝑙𝑙𝑙𝑙𝑡𝑡	𝑡𝑡𝑙𝑙𝑙𝑙𝑙𝑙𝑡𝑡	NOUN
eurjchem-2045	39	62	+	+	CCONJ
eurjchem-2045	40	1	[	[	X
eurjchem-2045	40	2	𝑅𝑅𝑅𝑅]𝑙𝑙𝑟𝑟𝑡𝑡	𝑅𝑅𝑅𝑅]𝑙𝑙𝑟𝑟𝑡𝑡	ADJ
eurjchem-2045	40	3	+	+	SYM
eurjchem-2045	40	4	�	�	PROPN
eurjchem-2045	40	5	𝑅𝑅𝑅𝑅∑	𝑅𝑅𝑅𝑅∑	PROPN
eurjchem-2045	40	6	hvi	hvi	PROPN
eurjchem-2045	40	7	kbti	kbti	PROPN
eurjchem-2045	40	8	e	e	PROPN
eurjchem-2045	40	9	−	−	PROPN
eurjchem-2045	40	10	hvi	hvi	PROPN
eurjchem-2045	40	11	kbt	kbt	PROPN
eurjchem-2045	40	12	1−e	1−e	NUM
eurjchem-2045	40	13	hvi	hvi	NOUN
eurjchem-2045	40	14	kbt	kbt	PROPN
eurjchem-2045	40	15	�	�	PROPN
eurjchem-2045	40	16	𝑣𝑣𝑙𝑙𝑣𝑣	𝑣𝑣𝑙𝑙𝑣𝑣	NOUN
eurjchem-2045	40	17	(	(	PUNCT
eurjchem-2045	40	18	1	1	NUM
eurjchem-2045	40	19	)	)	PUNCT
eurjchem-2045	40	20	𝐻𝐻non−linear(t	𝐻𝐻non−linear(t	NOUN
eurjchem-2045	40	21	)	)	PUNCT
eurjchem-2045	40	22	=	=	SYM
eurjchem-2045	40	23	�	�	PROPN
eurjchem-2045	40	24	5	5	NUM
eurjchem-2045	40	25	2	2	NUM
eurjchem-2045	40	26	𝑅𝑅𝑅𝑅	𝑅𝑅𝑅𝑅	PROPN
eurjchem-2045	40	27	�	�	PROPN
eurjchem-2045	40	28	𝑡𝑡𝑙𝑙𝑙𝑙𝑙𝑙𝑡𝑡	𝑡𝑡𝑙𝑙𝑙𝑙𝑙𝑙𝑡𝑡	PROPN
eurjchem-2045	40	29	+	+	CCONJ
eurjchem-2045	40	30	�	�	PROPN
eurjchem-2045	40	31	3	3	NUM
eurjchem-2045	40	32	2	2	NUM
eurjchem-2045	40	33	𝑅𝑅𝑅𝑅	𝑅𝑅𝑅𝑅	NOUN
eurjchem-2045	40	34	�	�	PROPN
eurjchem-2045	40	35	𝑙𝑙𝑟𝑟𝑡𝑡	𝑙𝑙𝑟𝑟𝑡𝑡	PROPN
eurjchem-2045	40	36	+	+	CCONJ
eurjchem-2045	40	37	�	�	PROPN
eurjchem-2045	40	38	𝑅𝑅𝑅𝑅∑	𝑅𝑅𝑅𝑅∑	PROPN
eurjchem-2045	40	39	hvi	hvi	PROPN
eurjchem-2045	40	40	kbti	kbti	PROPN
eurjchem-2045	40	41	e	e	PROPN
eurjchem-2045	41	1	−	−	PROPN
eurjchem-2045	41	2	hvi	hvi	PROPN
eurjchem-2045	41	3	kbt	kbt	PROPN
eurjchem-2045	41	4	1−e	1−e	NUM
eurjchem-2045	41	5	hvi	hvi	NOUN
eurjchem-2045	41	6	kbt	kbt	PROPN
eurjchem-2045	41	7	�	�	PROPN
eurjchem-2045	41	8	𝑣𝑣𝑙𝑙𝑣𝑣	𝑣𝑣𝑙𝑙𝑣𝑣	NOUN
eurjchem-2045	41	9	(	(	PUNCT
eurjchem-2045	41	10	2	2	NUM
eurjchem-2045	41	11	)	)	PUNCT
eurjchem-2045	41	12	𝑍𝑍𝑍𝑍𝑍𝑍	𝑍𝑍𝑍𝑍𝑍𝑍	NOUN
eurjchem-2045	41	13	=	=	SYM
eurjchem-2045	41	14	1	1	NUM
eurjchem-2045	41	15	2	2	NUM
eurjchem-2045	41	16	∑	∑	NOUN
eurjchem-2045	41	17	vn	vn	PROPN
eurjchem-2045	41	18	,	,	PUNCT
eurjchem-2045	41	19	i	i	PRON
eurjchem-2045	41	20	(	(	PUNCT
eurjchem-2045	41	21	3	3	X
eurjchem-2045	41	22	)	)	PUNCT
eurjchem-2045	41	23	slinear(t	slinear(t	NOUN
eurjchem-2045	41	24	)	)	PUNCT
eurjchem-2045	41	25	=	=	SYM
eurjchem-2045	42	1	𝑅𝑅	𝑅𝑅	PROPN
eurjchem-2045	42	2	�	�	PROPN
eurjchem-2045	42	3	ln	ln	PROPN
eurjchem-2045	42	4	�	�	PROPN
eurjchem-2045	42	5	�	�	NOUN
eurjchem-2045	42	6	2πm	2πm	NOUN
eurjchem-2045	42	7	/	/	SYM
eurjchem-2045	42	8	h2	h2	PROPN
eurjchem-2045	42	9	�	�	PROPN
eurjchem-2045	42	10	�	�	PROPN
eurjchem-2045	42	11	3	3	NUM
eurjchem-2045	42	12	2(kbt	2(kbt	NUM
eurjchem-2045	42	13	)	)	PUNCT
eurjchem-2045	42	14	5	5	NUM
eurjchem-2045	42	15	2	2	NUM
eurjchem-2045	42	16	po	po	NOUN
eurjchem-2045	42	17	+	+	CCONJ
eurjchem-2045	42	18	5	5	NUM
eurjchem-2045	42	19	2	2	NUM
eurjchem-2045	42	20	�	�	PROPN
eurjchem-2045	42	21	𝑡𝑡𝑙𝑙𝑙𝑙𝑙𝑙𝑡𝑡	𝑡𝑡𝑙𝑙𝑙𝑙𝑙𝑙𝑡𝑡	NOUN
eurjchem-2045	42	22	+	+	CCONJ
eurjchem-2045	42	23	𝑅𝑅	𝑅𝑅	PROPN
eurjchem-2045	42	24	�	�	PROPN
eurjchem-2045	42	25	ln	ln	NOUN
eurjchem-2045	42	26	8π2kbtir	8π2kbtir	NOUN
eurjchem-2045	42	27	,	,	PUNCT
eurjchem-2045	42	28	linear	linear	PROPN
eurjchem-2045	42	29	h2ρr	h2ρr	X
eurjchem-2045	42	30	+	+	SYM
eurjchem-2045	42	31	1	1	NUM
eurjchem-2045	42	32	�	�	PROPN
eurjchem-2045	42	33	𝑙𝑙𝑟𝑟𝑡𝑡	𝑙𝑙𝑟𝑟𝑡𝑡	PROPN
eurjchem-2045	42	34	+	+	CCONJ
eurjchem-2045	42	35	�	�	PROPN
eurjchem-2045	42	36	𝑅𝑅	𝑅𝑅	PROPN
eurjchem-2045	42	37	∑	∑	PROPN
eurjchem-2045	42	38	hvi	hvi	PROPN
eurjchem-2045	42	39	kbt	kbt	PROPN
eurjchem-2045	42	40	e	e	PROPN
eurjchem-2045	42	41	hvi	hvi	PROPN
eurjchem-2045	42	42	kbt−1	kbt−1	PROPN
eurjchem-2045	43	1	i	i	PRON
eurjchem-2045	43	2	−	−	PROPN
eurjchem-2045	43	3	𝑅𝑅∑	𝑅𝑅∑	AUX
eurjchem-2045	43	4	ln	ln	ADJ
eurjchem-2045	43	5	�	�	PROPN
eurjchem-2045	43	6	1	1	NUM
eurjchem-2045	43	7	−	−	PROPN
eurjchem-2045	43	8	e	e	PROPN
eurjchem-2045	43	9	hvi	hvi	PROPN
eurjchem-2045	43	10	kbt	kbt	PROPN
eurjchem-2045	43	11	�	�	PROPN
eurjchem-2045	43	12	i	i	PRON
eurjchem-2045	43	13	�	�	PROPN
eurjchem-2045	43	14	𝑣𝑣𝑙𝑙𝑣𝑣	𝑣𝑣𝑙𝑙𝑣𝑣	NOUN
eurjchem-2045	43	15	(	(	PUNCT
eurjchem-2045	43	16	4	4	NUM
eurjchem-2045	43	17	)	)	PUNCT
eurjchem-2045	43	18	snon−linear(t	snon−linear(t	NUM
eurjchem-2045	43	19	)	)	PUNCT
eurjchem-2045	44	1	=	=	SYM
eurjchem-2045	44	2	𝑅𝑅	𝑅𝑅	PROPN
eurjchem-2045	44	3	�	�	PROPN
eurjchem-2045	44	4	ln	ln	PROPN
eurjchem-2045	44	5	�	�	PROPN
eurjchem-2045	44	6	�	�	NOUN
eurjchem-2045	44	7	2πm	2πm	NOUN
eurjchem-2045	44	8	/	/	SYM
eurjchem-2045	44	9	h2	h2	PROPN
eurjchem-2045	44	10	�	�	PROPN
eurjchem-2045	44	11	�	�	PROPN
eurjchem-2045	44	12	3	3	NUM
eurjchem-2045	44	13	2(kbt	2(kbt	NUM
eurjchem-2045	44	14	)	)	PUNCT
eurjchem-2045	44	15	5	5	NUM
eurjchem-2045	44	16	2	2	NUM
eurjchem-2045	44	17	po	po	NOUN
eurjchem-2045	44	18	+	+	CCONJ
eurjchem-2045	44	19	5	5	NUM
eurjchem-2045	44	20	2	2	NUM
eurjchem-2045	44	21	�	�	PROPN
eurjchem-2045	44	22	𝑡𝑡𝑙𝑙𝑙𝑙𝑙𝑙𝑡𝑡	𝑡𝑡𝑙𝑙𝑙𝑙𝑙𝑙𝑡𝑡	NOUN
eurjchem-2045	44	23	+	+	CCONJ
eurjchem-2045	44	24	𝑅𝑅	𝑅𝑅	PROPN
eurjchem-2045	44	25	�	�	PROPN
eurjchem-2045	44	26	ln	ln	NOUN
eurjchem-2045	44	27	8π2(2πkb	8π2(2πkb	NUM
eurjchem-2045	44	28	)	)	PUNCT
eurjchem-2045	44	29	3	3	NUM
eurjchem-2045	44	30	2(t	2(t	NUM
eurjchem-2045	44	31	)	)	PUNCT
eurjchem-2045	44	32	3	3	NUM
eurjchem-2045	44	33	2(iaibic	2(iaibic	NOUN
eurjchem-2045	44	34	)	)	PUNCT
eurjchem-2045	44	35	1	1	NUM
eurjchem-2045	44	36	2	2	NUM
eurjchem-2045	44	37	h3ρr	h3ρr	PUNCT
eurjchem-2045	44	38	+	+	CCONJ
eurjchem-2045	44	39	3	3	NUM
eurjchem-2045	44	40	2	2	NUM
eurjchem-2045	44	41	�	�	NOUN
eurjchem-2045	44	42	𝑙𝑙𝑟𝑟𝑡𝑡	𝑙𝑙𝑟𝑟𝑡𝑡	PROPN
eurjchem-2045	44	43	+	+	CCONJ
eurjchem-2045	44	44	�	�	PROPN
eurjchem-2045	44	45	𝑅𝑅	𝑅𝑅	PROPN
eurjchem-2045	44	46	∑	∑	PROPN
eurjchem-2045	44	47	hvi	hvi	PROPN
eurjchem-2045	44	48	kbt	kbt	PROPN
eurjchem-2045	44	49	e	e	PROPN
eurjchem-2045	44	50	hvi	hvi	PROPN
eurjchem-2045	44	51	kbt−1	kbt−1	PROPN
eurjchem-2045	44	52	i	i	PRON
eurjchem-2045	44	53	−	−	PROPN
eurjchem-2045	44	54	𝑅𝑅∑	𝑅𝑅∑	AUX
eurjchem-2045	44	55	ln	ln	ADJ
eurjchem-2045	44	56	�	�	PROPN
eurjchem-2045	44	57	1	1	NUM
eurjchem-2045	44	58	−	−	PROPN
eurjchem-2045	44	59	e	e	PROPN
eurjchem-2045	44	60	hvi	hvi	PROPN
eurjchem-2045	44	61	kbt	kbt	PROPN
eurjchem-2045	44	62	�	�	PROPN
eurjchem-2045	44	63	i	i	PRON
eurjchem-2045	44	64	�	�	PROPN
eurjchem-2045	44	65	𝑣𝑣𝑙𝑙𝑣𝑣	𝑣𝑣𝑙𝑙𝑣𝑣	NOUN
eurjchem-2045	44	66	(	(	PUNCT
eurjchem-2045	44	67	5	5	NUM
eurjchem-2045	44	68	)	)	PUNCT
eurjchem-2045	44	69	sconfig	sconfig	NOUN
eurjchem-2045	44	70	=	=	SYM
eurjchem-2045	44	71	𝑅𝑅	𝑅𝑅	PROPN
eurjchem-2045	44	72	�	�	PROPN
eurjchem-2045	44	73	ln	ln	PROPN
eurjchem-2045	44	74	�	�	PROPN
eurjchem-2045	44	75	1−θ	1−θ	PROPN
eurjchem-2045	44	76	θ	θ	PROPN
eurjchem-2045	44	77	�	�	PROPN
eurjchem-2045	44	78	−	−	PROPN
eurjchem-2045	44	79	ln(1−θ	ln(1−θ	PROPN
eurjchem-2045	44	80	)	)	PUNCT
eurjchem-2045	44	81	θ	θ	PROPN
eurjchem-2045	44	82	�	�	PROPN
eurjchem-2045	44	83	(	(	PUNCT
eurjchem-2045	44	84	6	6	NUM
eurjchem-2045	44	85	)	)	PUNCT
eurjchem-2045	44	86	sconfig	sconfig	NOUN
eurjchem-2045	44	87	=	=	SYM
eurjchem-2045	44	88	1.39𝑅𝑅	1.39𝑅𝑅	NUM
eurjchem-2045	44	89	(	(	PUNCT
eurjchem-2045	44	90	7	7	X
eurjchem-2045	44	91	)	)	PUNCT
eurjchem-2045	44	92	these	these	DET
eurjchem-2045	44	93	findings	finding	NOUN
eurjchem-2045	44	94	agree	agree	VERB
eurjchem-2045	44	95	with	with	ADP
eurjchem-2045	44	96	the	the	DET
eurjchem-2045	44	97	report	report	NOUN
eurjchem-2045	44	98	of	of	ADP
eurjchem-2045	44	99	lauri	lauri	PROPN
eurjchem-2045	44	100	and	and	CCONJ
eurjchem-2045	44	101	karoliina	karoliina	ADJ
eurjchem-2045	44	102	[	[	X
eurjchem-2045	44	103	7	7	NUM
eurjchem-2045	44	104	]	]	PUNCT
eurjchem-2045	44	105	,	,	PUNCT
eurjchem-2045	44	106	which	which	PRON
eurjchem-2045	44	107	indicates	indicate	VERB
eurjchem-2045	44	108	that	that	SCONJ
eurjchem-2045	44	109	alloying	alloying	NOUN
eurjchem-2045	44	110	weakens	weaken	VERB
eurjchem-2045	44	111	the	the	DET
eurjchem-2045	44	112	binding	binding	NOUN
eurjchem-2045	44	113	of	of	ADP
eurjchem-2045	44	114	propylene	propylene	NOUN
eurjchem-2045	44	115	and	and	CCONJ
eurjchem-2045	44	116	therefore	therefore	ADV
eurjchem-2045	44	117	prevents	prevent	VERB
eurjchem-2045	44	118	further	further	ADJ
eurjchem-2045	44	119	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	44	120	.	.	PUNCT
eurjchem-2045	45	1	according	accord	VERB
eurjchem-2045	45	2	to	to	ADP
eurjchem-2045	45	3	ming	ming	NOUN
eurjchem-2045	45	4	-	-	PUNCT
eurjchem-2045	45	5	lei	lei	X
eurjchem-2045	45	6	et	et	PROPN
eurjchem-2045	45	7	al	al	PROPN
eurjchem-2045	45	8	.	.	PUNCT
eurjchem-2045	46	1	[	[	X
eurjchem-2045	46	2	6	6	NUM
eurjchem-2045	46	3	]	]	PUNCT
eurjchem-2045	46	4	,	,	PUNCT
eurjchem-2045	46	5	sn	sn	PROPN
eurjchem-2045	46	6	aids	aid	VERB
eurjchem-2045	46	7	in	in	ADP
eurjchem-2045	46	8	increasing	increase	VERB
eurjchem-2045	46	9	the	the	DET
eurjchem-2045	46	10	catalyst	catalyst	NOUN
eurjchem-2045	46	11	selectivity	selectivity	NOUN
eurjchem-2045	46	12	for	for	ADP
eurjchem-2045	46	13	propylene	propylene	NOUN
eurjchem-2045	46	14	production	production	NOUN
eurjchem-2045	46	15	,	,	PUNCT
eurjchem-2045	46	16	which	which	PRON
eurjchem-2045	46	17	means	mean	VERB
eurjchem-2045	46	18	pt3sn	pt3sn	ADJ
eurjchem-2045	46	19	bulk	bulk	ADJ
eurjchem-2045	46	20	alloy	alloy	NOUN
eurjchem-2045	46	21	would	would	AUX
eurjchem-2045	46	22	be	be	AUX
eurjchem-2045	46	23	an	an	DET
eurjchem-2045	46	24	excellent	excellent	ADJ
eurjchem-2045	46	25	potential	potential	ADJ
eurjchem-2045	46	26	catalyst	catalyst	NOUN
eurjchem-2045	46	27	for	for	ADP
eurjchem-2045	46	28	propane	propane	NOUN
eurjchem-2045	46	29	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	46	30	.	.	PUNCT
eurjchem-2045	47	1	lauri	lauri	PROPN
eurjchem-2045	47	2	and	and	CCONJ
eurjchem-2045	47	3	karoliina	karoliina	PROPN
eurjchem-2045	47	4	’s	’s	PART
eurjchem-2045	47	5	[	[	X
eurjchem-2045	47	6	7	7	NUM
eurjchem-2045	47	7	]	]	PUNCT
eurjchem-2045	47	8	study	study	NOUN
eurjchem-2045	47	9	also	also	ADV
eurjchem-2045	47	10	indicated	indicate	VERB
eurjchem-2045	47	11	that	that	SCONJ
eurjchem-2045	47	12	pt	pt	PROPN
eurjchem-2045	47	13	-	-	PUNCT
eurjchem-2045	47	14	sn	sn	ADJ
eurjchem-2045	47	15	alloyed	alloy	VERB
eurjchem-2045	47	16	catalyst	catalyst	NOUN
eurjchem-2045	47	17	’s	’s	PART
eurjchem-2045	47	18	low	low	ADJ
eurjchem-2045	47	19	coking	coking	NOUN
eurjchem-2045	47	20	and	and	CCONJ
eurjchem-2045	47	21	high	high	ADJ
eurjchem-2045	47	22	selectivity	selectivity	NOUN
eurjchem-2045	47	23	were	be	AUX
eurjchem-2045	47	24	due	due	ADJ
eurjchem-2045	47	25	to	to	ADP
eurjchem-2045	47	26	the	the	DET
eurjchem-2045	47	27	lack	lack	NOUN
eurjchem-2045	47	28	of	of	ADP
eurjchem-2045	47	29	active	active	ADJ
eurjchem-2045	47	30	pt	pt	NOUN
eurjchem-2045	47	31	step	step	NOUN
eurjchem-2045	47	32	sites	site	NOUN
eurjchem-2045	47	33	.	.	PUNCT
eurjchem-2045	48	1	other	other	ADJ
eurjchem-2045	48	2	related	related	ADJ
eurjchem-2045	48	3	studies	study	NOUN
eurjchem-2045	48	4	include	include	VERB
eurjchem-2045	48	5	timothy	timothy	PROPN
eurjchem-2045	48	6	[	[	X
eurjchem-2045	48	7	8	8	NUM
eurjchem-2045	48	8	]	]	PUNCT
eurjchem-2045	48	9	,	,	PUNCT
eurjchem-2045	48	10	which	which	PRON
eurjchem-2045	48	11	shows	show	VERB
eurjchem-2045	48	12	that	that	SCONJ
eurjchem-2045	48	13	pt	pt	PROPN
eurjchem-2045	48	14	has	have	VERB
eurjchem-2045	48	15	a	a	DET
eurjchem-2045	48	16	poor	poor	ADJ
eurjchem-2045	48	17	selectivity	selectivity	NOUN
eurjchem-2045	48	18	for	for	ADP
eurjchem-2045	48	19	olefins	olefin	NOUN
eurjchem-2045	48	20	,	,	PUNCT
eurjchem-2045	48	21	promotes	promote	VERB
eurjchem-2045	48	22	several	several	ADJ
eurjchem-2045	48	23	side	side	NOUN
eurjchem-2045	48	24	reactions	reaction	NOUN
eurjchem-2045	48	25	,	,	PUNCT
eurjchem-2045	48	26	and	and	CCONJ
eurjchem-2045	48	27	leads	lead	VERB
eurjchem-2045	48	28	to	to	ADP
eurjchem-2045	48	29	the	the	DET
eurjchem-2045	48	30	catalyst	catalyst	NOUN
eurjchem-2045	48	31	’s	’s	PART
eurjchem-2045	48	32	deactivation	deactivation	NOUN
eurjchem-2045	48	33	.	.	PUNCT
eurjchem-2045	49	1	the	the	DET
eurjchem-2045	49	2	study	study	NOUN
eurjchem-2045	49	3	reveals	reveal	VERB
eurjchem-2045	49	4	that	that	SCONJ
eurjchem-2045	49	5	ptga	ptga	NOUN
eurjchem-2045	49	6	alloy	alloy	NOUN
eurjchem-2045	49	7	has	have	VERB
eurjchem-2045	49	8	a	a	DET
eurjchem-2045	49	9	better	well	ADJ
eurjchem-2045	49	10	catalytic	catalytic	ADJ
eurjchem-2045	49	11	performance	performance	NOUN
eurjchem-2045	49	12	compared	compare	VERB
eurjchem-2045	49	13	to	to	ADP
eurjchem-2045	49	14	snpt	snpt	NOUN
eurjchem-2045	49	15	;	;	PUNCT
eurjchem-2045	49	16	because	because	SCONJ
eurjchem-2045	49	17	sn	sn	PROPN
eurjchem-2045	49	18	reduces	reduce	VERB
eurjchem-2045	49	19	the	the	DET
eurjchem-2045	49	20	catalyst	catalyst	NOUN
eurjchem-2045	49	21	activity	activity	NOUN
eurjchem-2045	49	22	.	.	PUNCT
eurjchem-2045	50	1	stephanie	stephanie	PROPN
eurjchem-2045	50	2	et	et	PROPN
eurjchem-2045	50	3	al	al	PROPN
eurjchem-2045	50	4	.	.	PUNCT
eurjchem-2045	51	1	[	[	X
eurjchem-2045	51	2	9	9	NUM
eurjchem-2045	51	3	]	]	PUNCT
eurjchem-2045	51	4	found	find	VERB
eurjchem-2045	51	5	that	that	SCONJ
eurjchem-2045	51	6	an	an	DET
eurjchem-2045	51	7	increase	increase	NOUN
eurjchem-2045	51	8	in	in	ADP
eurjchem-2045	51	9	hydrogen	hydrogen	NOUN
eurjchem-2045	51	10	pressure	pressure	NOUN
eurjchem-2045	51	11	would	would	AUX
eurjchem-2045	51	12	decrease	decrease	VERB
eurjchem-2045	51	13	the	the	DET
eurjchem-2045	51	14	coverage	coverage	NOUN
eurjchem-2045	51	15	of	of	ADP
eurjchem-2045	51	16	deeply	deeply	ADV
eurjchem-2045	51	17	dehydrogenated	dehydrogenate	VERB
eurjchem-2045	51	18	coke	coke	NOUN
eurjchem-2045	51	19	precursors	precursor	NOUN
eurjchem-2045	51	20	like	like	ADP
eurjchem-2045	51	21	ethylidyne	ethylidyne	NOUN
eurjchem-2045	51	22	(	(	PUNCT
eurjchem-2045	51	23	cch3	cch3	ADJ
eurjchem-2045	51	24	)	)	PUNCT
eurjchem-2045	51	25	and	and	CCONJ
eurjchem-2045	51	26	methylidyne	methylidyne	NOUN
eurjchem-2045	51	27	(	(	PUNCT
eurjchem-2045	51	28	ch	ch	NOUN
eurjchem-2045	51	29	)	)	PUNCT
eurjchem-2045	51	30	on	on	ADP
eurjchem-2045	51	31	the	the	DET
eurjchem-2045	51	32	surface	surface	NOUN
eurjchem-2045	51	33	of	of	ADP
eurjchem-2045	51	34	pt	pt	NOUN
eurjchem-2045	51	35	catalyst	catalyst	NOUN
eurjchem-2045	51	36	.	.	PUNCT
eurjchem-2045	52	1	it	it	PRON
eurjchem-2045	52	2	was	be	AUX
eurjchem-2045	52	3	confirmed	confirm	VERB
eurjchem-2045	52	4	that	that	SCONJ
eurjchem-2045	52	5	the	the	DET
eurjchem-2045	52	6	rise	rise	NOUN
eurjchem-2045	52	7	in	in	ADP
eurjchem-2045	52	8	hydrogen	hydrogen	NOUN
eurjchem-2045	52	9	coverage	coverage	NOUN
eurjchem-2045	52	10	decreases	decrease	VERB
eurjchem-2045	52	11	the	the	DET
eurjchem-2045	52	12	binding	bind	VERB
eurjchem-2045	52	13	force	force	NOUN
eurjchem-2045	52	14	adsorbing	adsorb	VERB
eurjchem-2045	52	15	propylene	propylene	NOUN
eurjchem-2045	52	16	to	to	ADP
eurjchem-2045	52	17	the	the	DET
eurjchem-2045	52	18	pt	pt	PROPN
eurjchem-2045	52	19	surface	surface	NOUN
eurjchem-2045	52	20	and	and	CCONJ
eurjchem-2045	52	21	increases	increase	VERB
eurjchem-2045	52	22	the	the	DET
eurjchem-2045	52	23	activation	activation	NOUN
eurjchem-2045	52	24	(	(	PUNCT
eurjchem-2045	52	25	or	or	CCONJ
eurjchem-2045	52	26	energy	energy	NOUN
eurjchem-2045	52	27	)	)	PUNCT
eurjchem-2045	52	28	barrier	barrier	NOUN
eurjchem-2045	52	29	for	for	ADP
eurjchem-2045	52	30	the	the	DET
eurjchem-2045	52	31	further	further	ADJ
eurjchem-2045	52	32	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	52	33	of	of	ADP
eurjchem-2045	52	34	propylene	propylene	NOUN
eurjchem-2045	52	35	.	.	PUNCT
eurjchem-2045	53	1	oyegoke	oyegoke	VERB
eurjchem-2045	53	2	et	et	PROPN
eurjchem-2045	53	3	al	al	PROPN
eurjchem-2045	53	4	.	.	PUNCT
eurjchem-2045	54	1	[	[	X
eurjchem-2045	54	2	10	10	NUM
eurjchem-2045	54	3	]	]	PUNCT
eurjchem-2045	54	4	indicated	indicate	VERB
eurjchem-2045	54	5	that	that	SCONJ
eurjchem-2045	54	6	cr	cr	PROPN
eurjchem-2045	54	7	was	be	AUX
eurjchem-2045	54	8	highly	highly	ADV
eurjchem-2045	54	9	acidic	acidic	ADJ
eurjchem-2045	54	10	and	and	CCONJ
eurjchem-2045	54	11	reactive	reactive	NOUN
eurjchem-2045	54	12	and	and	CCONJ
eurjchem-2045	54	13	was	be	AUX
eurjchem-2045	54	14	the	the	DET
eurjchem-2045	54	15	active	active	ADJ
eurjchem-2045	54	16	site	site	NOUN
eurjchem-2045	54	17	promoting	promote	VERB
eurjchem-2045	54	18	propane	propane	NOUN
eurjchem-2045	54	19	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	54	20	.	.	PUNCT
eurjchem-2045	55	1	other	other	ADJ
eurjchem-2045	55	2	studies	study	NOUN
eurjchem-2045	55	3	include	include	VERB
eurjchem-2045	55	4	zhang	zhang	PROPN
eurjchem-2045	55	5	et	et	PROPN
eurjchem-2045	55	6	al	al	PROPN
eurjchem-2045	55	7	.	.	PUNCT
eurjchem-2045	56	1	[	[	X
eurjchem-2045	56	2	11	11	NUM
eurjchem-2045	56	3	]	]	X
eurjchem-2045	56	4	work	work	NOUN
eurjchem-2045	56	5	,	,	PUNCT
eurjchem-2045	56	6	which	which	PRON
eurjchem-2045	56	7	studied	study	VERB
eurjchem-2045	56	8	v2o3	v2o3	NOUN
eurjchem-2045	56	9	;	;	PUNCT
eurjchem-2045	56	10	araujo	araujo	NOUN
eurjchem-2045	56	11	-	-	PUNCT
eurjchem-2045	56	12	lopez	lopez	PROPN
eurjchem-2045	56	13	et	et	PROPN
eurjchem-2045	56	14	al	al	PROPN
eurjchem-2045	56	15	.	.	PUNCT
eurjchem-2045	57	1	[	[	X
eurjchem-2045	57	2	12	12	NUM
eurjchem-2045	57	3	]	]	X
eurjchem-2045	57	4	work	work	NOUN
eurjchem-2045	57	5	,	,	PUNCT
eurjchem-2045	57	6	which	which	PRON
eurjchem-2045	57	7	studied	study	VERB
eurjchem-2045	57	8	the	the	DET
eurjchem-2045	57	9	palladium	palladium	NOUN
eurjchem-2045	57	10	surface	surface	NOUN
eurjchem-2045	57	11	;	;	PUNCT
eurjchem-2045	57	12	ningning	ningne	VERB
eurjchem-2045	57	13	et	et	PROPN
eurjchem-2045	57	14	al	al	PROPN
eurjchem-2045	57	15	.	.	PUNCT
eurjchem-2045	58	1	[	[	X
eurjchem-2045	58	2	13	13	NUM
eurjchem-2045	58	3	]	]	X
eurjchem-2045	58	4	work	work	NOUN
eurjchem-2045	58	5	,	,	PUNCT
eurjchem-2045	58	6	which	which	PRON
eurjchem-2045	58	7	studied	study	VERB
eurjchem-2045	58	8	the	the	DET
eurjchem-2045	58	9	single	single	ADJ
eurjchem-2045	58	10	vanadium	vanadium	NOUN
eurjchem-2045	58	11	atoms	atom	NOUN
eurjchem-2045	58	12	anchored	anchor	VERB
eurjchem-2045	58	13	in	in	ADP
eurjchem-2045	58	14	a	a	DET
eurjchem-2045	58	15	graphitic	graphitic	ADJ
eurjchem-2045	58	16	carbon	carbon	NOUN
eurjchem-2045	58	17	nitride	nitride	ADJ
eurjchem-2045	58	18	surface	surface	NOUN
eurjchem-2045	58	19	;	;	PUNCT
eurjchem-2045	58	20	keith	keith	PROPN
eurjchem-2045	58	21	et	et	PROPN
eurjchem-2045	58	22	al	al	PROPN
eurjchem-2045	58	23	.	.	PUNCT
eurjchem-2045	59	1	[	[	X
eurjchem-2045	59	2	14	14	NUM
eurjchem-2045	59	3	]	]	X
eurjchem-2045	59	4	work	work	NOUN
eurjchem-2045	59	5	,	,	PUNCT
eurjchem-2045	59	6	which	which	PRON
eurjchem-2045	59	7	studied	study	VERB
eurjchem-2045	59	8	ga	ga	PROPN
eurjchem-2045	59	9	-	-	PUNCT
eurjchem-2045	59	10	pt	pt	PROPN
eurjchem-2045	59	11	supported	support	VERB
eurjchem-2045	59	12	surface	surface	NOUN
eurjchem-2045	59	13	;	;	PUNCT
eurjchem-2045	59	14	and	and	CCONJ
eurjchem-2045	59	15	xie	xie	PROPN
eurjchem-2045	59	16	et	et	PROPN
eurjchem-2045	59	17	al	al	PROPN
eurjchem-2045	59	18	.	.	PUNCT
eurjchem-2045	60	1	[	[	X
eurjchem-2045	60	2	15	15	NUM
eurjchem-2045	60	3	]	]	X
eurjchem-2045	60	4	work	work	NOUN
eurjchem-2045	60	5	,	,	PUNCT
eurjchem-2045	60	6	which	which	PRON
eurjchem-2045	60	7	studied	study	VERB
eurjchem-2045	60	8	v2o3	v2o3	NUM
eurjchem-2045	60	9	supported	support	VERB
eurjchem-2045	60	10	surface	surface	NOUN
eurjchem-2045	60	11	.	.	PUNCT
eurjchem-2045	61	1	most	most	ADJ
eurjchem-2045	61	2	computational	computational	ADJ
eurjchem-2045	61	3	studies	study	NOUN
eurjchem-2045	61	4	in	in	ADP
eurjchem-2045	61	5	the	the	DET
eurjchem-2045	61	6	literature	literature	NOUN
eurjchem-2045	61	7	have	have	AUX
eurjchem-2045	61	8	focused	focus	VERB
eurjchem-2045	61	9	mainly	mainly	ADV
eurjchem-2045	61	10	on	on	ADP
eurjchem-2045	61	11	pt	pt	NOUN
eurjchem-2045	61	12	catalysts	catalyst	NOUN
eurjchem-2045	61	13	,	,	PUNCT
eurjchem-2045	61	14	with	with	ADP
eurjchem-2045	61	15	less	less	ADJ
eurjchem-2045	61	16	attention	attention	NOUN
eurjchem-2045	61	17	being	be	AUX
eurjchem-2045	61	18	given	give	VERB
eurjchem-2045	61	19	to	to	ADP
eurjchem-2045	61	20	chromium	chromium	NOUN
eurjchem-2045	61	21	oxide	oxide	NOUN
eurjchem-2045	61	22	catalysts	catalyst	NOUN
eurjchem-2045	61	23	,	,	PUNCT
eurjchem-2045	61	24	its	its	PRON
eurjchem-2045	61	25	performance	performance	NOUN
eurjchem-2045	61	26	,	,	PUNCT
eurjchem-2045	61	27	and	and	CCONJ
eurjchem-2045	61	28	how	how	SCONJ
eurjchem-2045	61	29	it	it	PRON
eurjchem-2045	61	30	can	can	AUX
eurjchem-2045	61	31	be	be	AUX
eurjchem-2045	61	32	upgraded	upgrade	VERB
eurjchem-2045	61	33	.	.	PUNCT
eurjchem-2045	62	1	this	this	DET
eurjchem-2045	62	2	study	study	NOUN
eurjchem-2045	62	3	evaluates	evaluate	VERB
eurjchem-2045	62	4	the	the	DET
eurjchem-2045	62	5	potential	potential	ADJ
eurjchem-2045	62	6	route	route	NOUN
eurjchem-2045	62	7	to	to	PART
eurjchem-2045	62	8	produce	produce	VERB
eurjchem-2045	62	9	propylene	propylene	NOUN
eurjchem-2045	62	10	across	across	ADP
eurjchem-2045	62	11	the	the	DET
eurjchem-2045	62	12	chromium	chromium	NOUN
eurjchem-2045	62	13	(	(	PUNCT
eurjchem-2045	62	14	iii	iii	NOUN
eurjchem-2045	62	15	)	)	PUNCT
eurjchem-2045	62	16	oxide	oxide	NOUN
eurjchem-2045	62	17	surface	surface	NOUN
eurjchem-2045	62	18	.	.	PUNCT
eurjchem-2045	63	1	the	the	DET
eurjchem-2045	63	2	study	study	NOUN
eurjchem-2045	63	3	provides	provide	VERB
eurjchem-2045	63	4	an	an	DET
eurjchem-2045	63	5	insight	insight	NOUN
eurjchem-2045	63	6	into	into	ADP
eurjchem-2045	63	7	the	the	DET
eurjchem-2045	63	8	kinetic	kinetic	ADJ
eurjchem-2045	63	9	and	and	CCONJ
eurjchem-2045	63	10	thermodynamic	thermodynamic	ADJ
eurjchem-2045	63	11	evaluation	evaluation	NOUN
eurjchem-2045	63	12	of	of	ADP
eurjchem-2045	63	13	the	the	DET
eurjchem-2045	63	14	reaction	reaction	NOUN
eurjchem-2045	63	15	mechanism	mechanism	NOUN
eurjchem-2045	63	16	for	for	ADP
eurjchem-2045	63	17	the	the	DET
eurjchem-2045	63	18	non	non	ADJ
eurjchem-2045	63	19	-	-	ADJ
eurjchem-2045	63	20	oxidative	oxidative	ADJ
eurjchem-2045	63	21	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	63	22	of	of	ADP
eurjchem-2045	63	23	propane	propane	NOUN
eurjchem-2045	63	24	to	to	PART
eurjchem-2045	63	25	propylene	propylene	VERB
eurjchem-2045	63	26	on	on	ADP
eurjchem-2045	63	27	chromium	chromium	NOUN
eurjchem-2045	63	28	oxide	oxide	NOUN
eurjchem-2045	63	29	using	use	VERB
eurjchem-2045	63	30	density	density	NOUN
eurjchem-2045	63	31	functional	functional	ADJ
eurjchem-2045	63	32	theory	theory	NOUN
eurjchem-2045	63	33	and	and	CCONJ
eurjchem-2045	63	34	the	the	DET
eurjchem-2045	63	35	cluster	cluster	NOUN
eurjchem-2045	63	36	approach	approach	NOUN
eurjchem-2045	63	37	.	.	PUNCT
eurjchem-2045	64	1	the	the	DET
eurjchem-2045	64	2	results	result	NOUN
eurjchem-2045	64	3	obtained	obtain	VERB
eurjchem-2045	64	4	would	would	AUX
eurjchem-2045	64	5	allow	allow	VERB
eurjchem-2045	64	6	a	a	DET
eurjchem-2045	64	7	better	well	ADJ
eurjchem-2045	64	8	understanding	understanding	NOUN
eurjchem-2045	64	9	of	of	ADP
eurjchem-2045	64	10	the	the	DET
eurjchem-2045	64	11	reaction	reaction	NOUN
eurjchem-2045	64	12	and	and	CCONJ
eurjchem-2045	64	13	provide	provide	VERB
eurjchem-2045	64	14	insight	insight	NOUN
eurjchem-2045	64	15	into	into	ADP
eurjchem-2045	64	16	improving	improve	VERB
eurjchem-2045	64	17	the	the	DET
eurjchem-2045	64	18	catalyst	catalyst	NOUN
eurjchem-2045	64	19	.	.	PUNCT
eurjchem-2045	65	1	2	2	X
eurjchem-2045	65	2	.	.	X
eurjchem-2045	65	3	methods	method	NOUN
eurjchem-2045	65	4	2.1	2.1	NUM
eurjchem-2045	65	5	.	.	PUNCT
eurjchem-2045	66	1	theoretical	theoretical	ADJ
eurjchem-2045	66	2	background	background	NOUN
eurjchem-2045	66	3	in	in	ADP
eurjchem-2045	66	4	this	this	DET
eurjchem-2045	66	5	study	study	NOUN
eurjchem-2045	66	6	,	,	PUNCT
eurjchem-2045	66	7	the	the	DET
eurjchem-2045	66	8	computations	computation	NOUN
eurjchem-2045	66	9	were	be	AUX
eurjchem-2045	66	10	carried	carry	VERB
eurjchem-2045	66	11	out	out	ADP
eurjchem-2045	66	12	using	use	VERB
eurjchem-2045	66	13	the	the	DET
eurjchem-2045	66	14	dft	dft	PROPN
eurjchem-2045	66	15	calculation	calculation	NOUN
eurjchem-2045	66	16	method	method	NOUN
eurjchem-2045	66	17	in	in	ADP
eurjchem-2045	66	18	the	the	DET
eurjchem-2045	66	19	spartan	spartan	ADJ
eurjchem-2045	66	20	18	18	NUM
eurjchem-2045	66	21	software	software	NOUN
eurjchem-2045	66	22	package	package	NOUN
eurjchem-2045	66	23	and	and	CCONJ
eurjchem-2045	66	24	ran	run	VERB
eurjchem-2045	66	25	on	on	ADP
eurjchem-2045	66	26	an	an	DET
eurjchem-2045	66	27	hp	hp	ADJ
eurjchem-2045	66	28	15	15	NUM
eurjchem-2045	66	29	pavilion	pavilion	NOUN
eurjchem-2045	66	30	notebook	notebook	NOUN
eurjchem-2045	66	31	(	(	PUNCT
eurjchem-2045	66	32	intel	intel	PROPN
eurjchem-2045	66	33	core	core	NOUN
eurjchem-2045	66	34	i3	i3	PROPN
eurjchem-2045	66	35	processor	processor	NOUN
eurjchem-2045	66	36	@	@	ADP
eurjchem-2045	66	37	1.8	1.8	NUM
eurjchem-2045	66	38	ghz	ghz	NOUN
eurjchem-2045	66	39	and	and	CCONJ
eurjchem-2045	66	40	6	6	NUM
eurjchem-2045	66	41	gb	gb	NOUN
eurjchem-2045	66	42	ram	ram	NOUN
eurjchem-2045	66	43	)	)	PUNCT
eurjchem-2045	66	44	.	.	PUNCT
eurjchem-2045	67	1	the	the	DET
eurjchem-2045	67	2	catalyst	catalyst	NOUN
eurjchem-2045	67	3	,	,	PUNCT
eurjchem-2045	67	4	reactant	reactant	NOUN
eurjchem-2045	67	5	,	,	PUNCT
eurjchem-2045	67	6	and	and	CCONJ
eurjchem-2045	67	7	intermediate	intermediate	ADJ
eurjchem-2045	67	8	species	species	NOUN
eurjchem-2045	67	9	structures	structure	NOUN
eurjchem-2045	67	10	were	be	AUX
eurjchem-2045	67	11	built	build	VERB
eurjchem-2045	67	12	and	and	CCONJ
eurjchem-2045	67	13	minimized	minimized	ADJ
eurjchem-2045	67	14	using	use	VERB
eurjchem-2045	67	15	the	the	DET
eurjchem-2045	67	16	molecular	molecular	ADJ
eurjchem-2045	67	17	mechanics	mechanic	NOUN
eurjchem-2045	67	18	(	(	PUNCT
eurjchem-2045	67	19	mmff	mmff	PROPN
eurjchem-2045	67	20	)	)	PUNCT
eurjchem-2045	67	21	method	method	NOUN
eurjchem-2045	67	22	to	to	PART
eurjchem-2045	67	23	remove	remove	VERB
eurjchem-2045	67	24	strain	strain	NOUN
eurjchem-2045	67	25	energy	energy	NOUN
eurjchem-2045	67	26	.	.	PUNCT
eurjchem-2045	68	1	all	all	DET
eurjchem-2045	68	2	molecular	molecular	ADJ
eurjchem-2045	68	3	mechanics	mechanic	NOUN
eurjchem-2045	68	4	optimized	optimize	VERB
eurjchem-2045	68	5	geometries	geometry	NOUN
eurjchem-2045	68	6	were	be	AUX
eurjchem-2045	68	7	subjected	subject	VERB
eurjchem-2045	68	8	to	to	ADP
eurjchem-2045	68	9	dft	dft	PROPN
eurjchem-2045	68	10	,	,	PUNCT
eurjchem-2045	68	11	and	and	CCONJ
eurjchem-2045	68	12	the	the	DET
eurjchem-2045	68	13	b3lyp	b3lyp	PROPN
eurjchem-2045	68	14	calculation	calculation	NOUN
eurjchem-2045	68	15	method	method	NOUN
eurjchem-2045	68	16	was	be	AUX
eurjchem-2045	68	17	adopted	adopt	VERB
eurjchem-2045	68	18	,	,	PUNCT
eurjchem-2045	68	19	ensuring	ensure	VERB
eurjchem-2045	68	20	that	that	SCONJ
eurjchem-2045	68	21	the	the	DET
eurjchem-2045	68	22	structures	structure	NOUN
eurjchem-2045	68	23	built	build	VERB
eurjchem-2045	68	24	do	do	AUX
eurjchem-2045	68	25	not	not	PART
eurjchem-2045	68	26	show	show	VERB
eurjchem-2045	68	27	any	any	DET
eurjchem-2045	68	28	negative	negative	ADJ
eurjchem-2045	68	29	imaginary	imaginary	ADJ
eurjchem-2045	68	30	frequency	frequency	NOUN
eurjchem-2045	68	31	on	on	ADP
eurjchem-2045	68	32	the	the	DET
eurjchem-2045	68	33	infrared	infrared	NOUN
eurjchem-2045	68	34	(	(	PUNCT
eurjchem-2045	68	35	ir	ir	NOUN
eurjchem-2045	68	36	)	)	PUNCT
eurjchem-2045	68	37	spectra	spectra	ADJ
eurjchem-2045	68	38	results	result	NOUN
eurjchem-2045	68	39	.	.	PUNCT
eurjchem-2045	69	1	the	the	DET
eurjchem-2045	69	2	631	631	NUM
eurjchem-2045	69	3	g	g	NOUN
eurjchem-2045	69	4	*	*	PUNCT
eurjchem-2045	69	5	and	and	CCONJ
eurjchem-2045	69	6	lanl2dz	lanl2dz	VERB
eurjchem-2045	69	7	basis	basis	NOUN
eurjchem-2045	69	8	sets	set	NOUN
eurjchem-2045	69	9	were	be	AUX
eurjchem-2045	69	10	employed	employ	VERB
eurjchem-2045	69	11	because	because	SCONJ
eurjchem-2045	69	12	the	the	DET
eurjchem-2045	69	13	literature	literature	NOUN
eurjchem-2045	69	14	confirms	confirm	VERB
eurjchem-2045	69	15	it	it	PRON
eurjchem-2045	69	16	to	to	PART
eurjchem-2045	69	17	be	be	AUX
eurjchem-2045	69	18	cost	cost	NOUN
eurjchem-2045	69	19	-	-	PUNCT
eurjchem-2045	69	20	effective	effective	ADJ
eurjchem-2045	69	21	computationally	computationally	ADV
eurjchem-2045	69	22	for	for	ADP
eurjchem-2045	69	23	studies	study	NOUN
eurjchem-2045	69	24	involving	involve	VERB
eurjchem-2045	69	25	transition	transition	NOUN
eurjchem-2045	69	26	metals	metal	NOUN
eurjchem-2045	69	27	,	,	PUNCT
eurjchem-2045	69	28	such	such	ADJ
eurjchem-2045	69	29	as	as	ADP
eurjchem-2045	69	30	chromium	chromium	NOUN
eurjchem-2045	69	31	[	[	X
eurjchem-2045	69	32	16	16	NUM
eurjchem-2045	69	33	]	]	PUNCT
eurjchem-2045	69	34	.	.	PUNCT
eurjchem-2045	70	1	studies	study	NOUN
eurjchem-2045	70	2	indicate	indicate	VERB
eurjchem-2045	70	3	that	that	SCONJ
eurjchem-2045	70	4	a	a	DET
eurjchem-2045	70	5	6	6	NUM
eurjchem-2045	70	6	-	-	SYM
eurjchem-2045	70	7	31	31	NUM
eurjchem-2045	70	8	g	g	NOUN
eurjchem-2045	70	9	*	*	NOUN
eurjchem-2045	70	10	basis	basis	NOUN
eurjchem-2045	70	11	set	set	NOUN
eurjchem-2045	70	12	,	,	PUNCT
eurjchem-2045	70	13	which	which	PRON
eurjchem-2045	70	14	is	be	AUX
eurjchem-2045	70	15	widely	widely	ADV
eurjchem-2045	70	16	considered	consider	VERB
eurjchem-2045	70	17	the	the	DET
eurjchem-2045	70	18	best	good	ADJ
eurjchem-2045	70	19	compromise	compromise	NOUN
eurjchem-2045	70	20	in	in	ADP
eurjchem-2045	70	21	terms	term	NOUN
eurjchem-2045	70	22	of	of	ADP
eurjchem-2045	70	23	accuracy	accuracy	NOUN
eurjchem-2045	70	24	and	and	CCONJ
eurjchem-2045	70	25	speed	speed	NOUN
eurjchem-2045	70	26	,	,	PUNCT
eurjchem-2045	70	27	is	be	AUX
eurjchem-2045	70	28	the	the	DET
eurjchem-2045	70	29	most	most	ADV
eurjchem-2045	70	30	frequently	frequently	ADV
eurjchem-2045	70	31	used	use	VERB
eurjchem-2045	70	32	basis	basis	NOUN
eurjchem-2045	70	33	set	set	VERB
eurjchem-2045	70	34	available	available	ADJ
eurjchem-2045	70	35	for	for	ADP
eurjchem-2045	70	36	h	h	NOUN
eurjchem-2045	70	37	-	-	PUNCT
eurjchem-2045	70	38	kr	kr	PROPN
eurjchem-2045	70	39	elements	element	NOUN
eurjchem-2045	70	40	.	.	PUNCT
eurjchem-2045	71	1	simultaneously	simultaneously	ADV
eurjchem-2045	71	2	,	,	PUNCT
eurjchem-2045	71	3	heavier	heavy	ADJ
eurjchem-2045	71	4	atoms	atom	NOUN
eurjchem-2045	71	5	were	be	AUX
eurjchem-2045	71	6	modeled	model	VERB
eurjchem-2045	71	7	using	use	VERB
eurjchem-2045	71	8	the	the	DET
eurjchem-2045	71	9	lanl2dz	lanl2dz	ADJ
eurjchem-2045	71	10	basis	basis	NOUN
eurjchem-2045	71	11	set	set	NOUN
eurjchem-2045	71	12	,	,	PUNCT
eurjchem-2045	71	13	which	which	PRON
eurjchem-2045	71	14	uses	use	VERB
eurjchem-2045	71	15	an	an	DET
eurjchem-2045	71	16	effective	effective	ADJ
eurjchem-2045	71	17	core	core	NOUN
eurjchem-2045	71	18	for	for	ADP
eurjchem-2045	71	19	all	all	DET
eurjchem-2045	71	20	atoms	atom	NOUN
eurjchem-2045	71	21	larger	large	ADJ
eurjchem-2045	71	22	than	than	ADP
eurjchem-2045	71	23	ne	ne	NOUN
eurjchem-2045	71	24	[	[	X
eurjchem-2045	71	25	16,17	16,17	NUM
eurjchem-2045	71	26	]	]	PUNCT
eurjchem-2045	71	27	.	.	PUNCT
eurjchem-2045	72	1	the	the	PRON
eurjchem-2045	72	2	chromium	chromium	NOUN
eurjchem-2045	72	3	(	(	PUNCT
eurjchem-2045	72	4	iii	iii	NOUN
eurjchem-2045	72	5	)	)	PUNCT
eurjchem-2045	72	6	oxide	oxide	NOUN
eurjchem-2045	72	7	catalyst	catalyst	NOUN
eurjchem-2045	72	8	cluster	cluster	NOUN
eurjchem-2045	72	9	or	or	CCONJ
eurjchem-2045	72	10	slab	slab	NOUN
eurjchem-2045	72	11	(	(	PUNCT
eurjchem-2045	72	12	figure	figure	NOUN
eurjchem-2045	72	13	1	1	NUM
eurjchem-2045	72	14	)	)	PUNCT
eurjchem-2045	72	15	used	use	VERB
eurjchem-2045	72	16	in	in	ADP
eurjchem-2045	72	17	this	this	DET
eurjchem-2045	72	18	study	study	NOUN
eurjchem-2045	72	19	was	be	AUX
eurjchem-2045	72	20	adopted	adopt	VERB
eurjchem-2045	72	21	from	from	ADP
eurjchem-2045	72	22	brown	brown	PROPN
eurjchem-2045	72	23	et	et	PROPN
eurjchem-2045	72	24	al	al	PROPN
eurjchem-2045	72	25	.	.	PUNCT
eurjchem-2045	73	1	[	[	X
eurjchem-2045	73	2	16	16	NUM
eurjchem-2045	73	3	]	]	PUNCT
eurjchem-2045	73	4	,	,	PUNCT
eurjchem-2045	73	5	and	and	CCONJ
eurjchem-2045	73	6	it	it	PRON
eurjchem-2045	73	7	was	be	AUX
eurjchem-2045	73	8	confirmed	confirm	VERB
eurjchem-2045	73	9	to	to	PART
eurjchem-2045	73	10	be	be	AUX
eurjchem-2045	73	11	similar	similar	ADJ
eurjchem-2045	73	12	to	to	ADP
eurjchem-2045	73	13	that	that	PRON
eurjchem-2045	73	14	used	use	VERB
eurjchem-2045	73	15	in	in	ADP
eurjchem-2045	73	16	the	the	DET
eurjchem-2045	73	17	literature	literature	NOUN
eurjchem-2045	73	18	[	[	X
eurjchem-2045	73	19	1921	1921	NUM
eurjchem-2045	73	20	]	]	PUNCT
eurjchem-2045	73	21	.	.	PUNCT
eurjchem-2045	74	1	ir	ir	PROPN
eurjchem-2045	74	2	spectrum	spectrum	PROPN
eurjchem-2045	74	3	calculation	calculation	NOUN
eurjchem-2045	74	4	was	be	AUX
eurjchem-2045	74	5	carried	carry	VERB
eurjchem-2045	74	6	out	out	ADP
eurjchem-2045	74	7	with	with	ADP
eurjchem-2045	74	8	the	the	DET
eurjchem-2045	74	9	use	use	NOUN
eurjchem-2045	74	10	of	of	ADP
eurjchem-2045	74	11	spartan	spartan	ADJ
eurjchem-2045	74	12	18	18	NUM
eurjchem-2045	74	13	.	.	PUNCT
eurjchem-2045	75	1	the	the	DET
eurjchem-2045	75	2	calculated	calculate	VERB
eurjchem-2045	75	3	ir	ir	PROPN
eurjchem-2045	75	4	spectrum	spectrum	NOUN
eurjchem-2045	75	5	was	be	AUX
eurjchem-2045	75	6	compared	compare	VERB
eurjchem-2045	75	7	with	with	ADP
eurjchem-2045	75	8	that	that	PRON
eurjchem-2045	75	9	reported	report	VERB
eurjchem-2045	75	10	in	in	ADP
eurjchem-2045	75	11	the	the	DET
eurjchem-2045	75	12	literature	literature	NOUN
eurjchem-2045	75	13	to	to	PART
eurjchem-2045	75	14	understand	understand	VERB
eurjchem-2045	75	15	the	the	DET
eurjchem-2045	75	16	cluster	cluster	NOUN
eurjchem-2045	75	17	model	model	NOUN
eurjchem-2045	75	18	’s	’s	PART
eurjchem-2045	75	19	accuracy	accuracy	NOUN
eurjchem-2045	75	20	adopted	adopt	VERB
eurjchem-2045	75	21	for	for	ADP
eurjchem-2045	75	22	this	this	DET
eurjchem-2045	75	23	study	study	NOUN
eurjchem-2045	75	24	’s	’s	PART
eurjchem-2045	75	25	chromium	chromium	NOUN
eurjchem-2045	75	26	oxide	oxide	NOUN
eurjchem-2045	75	27	catalyst	catalyst	NOUN
eurjchem-2045	75	28	.	.	PUNCT
eurjchem-2045	76	1	this	this	DET
eurjchem-2045	76	2	comparative	comparative	ADJ
eurjchem-2045	76	3	assessment	assessment	NOUN
eurjchem-2045	76	4	approach	approach	NOUN
eurjchem-2045	76	5	was	be	AUX
eurjchem-2045	76	6	adopted	adopt	VERB
eurjchem-2045	76	7	from	from	ADP
eurjchem-2045	76	8	the	the	DET
eurjchem-2045	76	9	literature	literature	NOUN
eurjchem-2045	76	10	[	[	X
eurjchem-2045	76	11	22	22	NUM
eurjchem-2045	76	12	-	-	SYM
eurjchem-2045	76	13	24	24	NUM
eurjchem-2045	76	14	]	]	PUNCT
eurjchem-2045	76	15	to	to	PART
eurjchem-2045	76	16	investigate	investigate	VERB
eurjchem-2045	76	17	the	the	DET
eurjchem-2045	76	18	agreement	agreement	NOUN
eurjchem-2045	76	19	between	between	ADP
eurjchem-2045	76	20	the	the	DET
eurjchem-2045	76	21	model	model	NOUN
eurjchem-2045	76	22	and	and	CCONJ
eurjchem-2045	76	23	experimental	experimental	ADJ
eurjchem-2045	76	24	values	value	NOUN
eurjchem-2045	76	25	.	.	PUNCT
eurjchem-2045	77	1	cr	cr	X
eurjchem-2045	77	2	o	o	PROPN
eurjchem-2045	78	1	cr	cr	X
eurjchem-2045	78	2	o	o	NOUN
eurjchem-2045	78	3	o	o	NOUN
eurjchem-2045	78	4	figure	figure	NOUN
eurjchem-2045	78	5	1	1	X
eurjchem-2045	78	6	.	.	PUNCT
eurjchem-2045	79	1	molecular	molecular	ADJ
eurjchem-2045	79	2	structure	structure	NOUN
eurjchem-2045	79	3	of	of	ADP
eurjchem-2045	79	4	catalyst	catalyst	NOUN
eurjchem-2045	79	5	cluster	cluster	NOUN
eurjchem-2045	79	6	.	.	PUNCT
eurjchem-2045	80	1	2.2	2.2	NUM
eurjchem-2045	80	2	.	.	PUNCT
eurjchem-2045	81	1	thermodynamic	thermodynamic	ADJ
eurjchem-2045	81	2	calculation	calculation	NOUN
eurjchem-2045	81	3	of	of	ADP
eurjchem-2045	81	4	free	free	ADJ
eurjchem-2045	81	5	energy	energy	NOUN
eurjchem-2045	81	6	an	an	DET
eurjchem-2045	81	7	estimation	estimation	NOUN
eurjchem-2045	81	8	of	of	ADP
eurjchem-2045	81	9	the	the	DET
eurjchem-2045	81	10	thermodynamic	thermodynamic	ADJ
eurjchem-2045	81	11	properties	property	NOUN
eurjchem-2045	81	12	of	of	ADP
eurjchem-2045	81	13	all	all	DET
eurjchem-2045	81	14	concerned	concerned	ADJ
eurjchem-2045	81	15	species	specie	NOUN
eurjchem-2045	81	16	was	be	AUX
eurjchem-2045	81	17	carried	carry	VERB
eurjchem-2045	81	18	out	out	ADP
eurjchem-2045	81	19	.	.	PUNCT
eurjchem-2045	82	1	this	this	DET
eurjchem-2045	82	2	calculation	calculation	NOUN
eurjchem-2045	82	3	was	be	AUX
eurjchem-2045	82	4	done	do	VERB
eurjchem-2045	82	5	using	use	VERB
eurjchem-2045	82	6	various	various	ADJ
eurjchem-2045	82	7	statistical	statistical	ADJ
eurjchem-2045	82	8	thermodynamic	thermodynamic	ADJ
eurjchem-2045	82	9	models	model	NOUN
eurjchem-2045	82	10	and	and	CCONJ
eurjchem-2045	82	11	output	output	NOUN
eurjchem-2045	82	12	files	file	NOUN
eurjchem-2045	82	13	collected	collect	VERB
eurjchem-2045	82	14	from	from	ADP
eurjchem-2045	82	15	spartan	spartan	PROPN
eurjchem-2045	82	16	18	18	NUM
eurjchem-2045	82	17	’s	’s	PART
eurjchem-2045	82	18	dft	dft	PROPN
eurjchem-2045	82	19	calculations	calculation	NOUN
eurjchem-2045	82	20	.	.	PUNCT
eurjchem-2045	83	1	this	this	DET
eurjchem-2045	83	2	dft	dft	PROPN
eurjchem-2045	83	3	calculation	calculation	NOUN
eurjchem-2045	83	4	provides	provide	VERB
eurjchem-2045	83	5	a	a	DET
eurjchem-2045	83	6	moment	moment	NOUN
eurjchem-2045	83	7	of	of	ADP
eurjchem-2045	83	8	inertia	inertia	NOUN
eurjchem-2045	83	9	(	(	PUNCT
eurjchem-2045	83	10	i	i	NOUN
eurjchem-2045	83	11	)	)	PUNCT
eurjchem-2045	83	12	,	,	PUNCT
eurjchem-2045	83	13	total	total	ADJ
eurjchem-2045	83	14	mass	mass	NOUN
eurjchem-2045	83	15	(	(	PUNCT
eurjchem-2045	83	16	m	m	NOUN
eurjchem-2045	83	17	)	)	PUNCT
eurjchem-2045	83	18	,	,	PUNCT
eurjchem-2045	83	19	and	and	CCONJ
eurjchem-2045	83	20	wavenumber	wavenumber	NOUN
eurjchem-2045	83	21	(	(	PUNCT
eurjchem-2045	83	22	v	v	NOUN
eurjchem-2045	83	23	)	)	PUNCT
eurjchem-2045	83	24	of	of	ADP
eurjchem-2045	83	25	the	the	DET
eurjchem-2045	83	26	structures	structure	NOUN
eurjchem-2045	83	27	considered	consider	VERB
eurjchem-2045	83	28	in	in	ADP
eurjchem-2045	83	29	this	this	DET
eurjchem-2045	83	30	study	study	NOUN
eurjchem-2045	83	31	,	,	PUNCT
eurjchem-2045	83	32	which	which	PRON
eurjchem-2045	83	33	were	be	AUX
eurjchem-2045	83	34	later	later	ADV
eurjchem-2045	83	35	used	use	VERB
eurjchem-2045	83	36	to	to	PART
eurjchem-2045	83	37	compute	compute	VERB
eurjchem-2045	83	38	the	the	DET
eurjchem-2045	83	39	gibbs	gibbs	PROPN
eurjchem-2045	83	40	free	free	ADJ
eurjchem-2045	83	41	energy	energy	NOUN
eurjchem-2045	83	42	(	(	PUNCT
eurjchem-2045	83	43	g	g	NOUN
eurjchem-2045	83	44	)	)	PUNCT
eurjchem-2045	83	45	.	.	PUNCT
eurjchem-2045	84	1	the	the	DET
eurjchem-2045	84	2	models	model	NOUN
eurjchem-2045	84	3	employed	employ	VERB
eurjchem-2045	84	4	were	be	AUX
eurjchem-2045	84	5	adapted	adapt	VERB
eurjchem-2045	84	6	from	from	ADP
eurjchem-2045	84	7	the	the	DET
eurjchem-2045	84	8	literature	literature	NOUN
eurjchem-2045	84	9	[	[	X
eurjchem-2045	84	10	25	25	NUM
eurjchem-2045	84	11	-	-	SYM
eurjchem-2045	84	12	27	27	NUM
eurjchem-2045	84	13	]	]	PUNCT
eurjchem-2045	84	14	and	and	CCONJ
eurjchem-2045	84	15	are	be	AUX
eurjchem-2045	84	16	presented	present	VERB
eurjchem-2045	84	17	in	in	ADP
eurjchem-2045	84	18	equations	equation	NOUN
eurjchem-2045	84	19	(	(	PUNCT
eurjchem-2045	84	20	1	1	NUM
eurjchem-2045	84	21	-	-	SYM
eurjchem-2045	84	22	7	7	NUM
eurjchem-2045	84	23	)	)	PUNCT
eurjchem-2045	84	24	.	.	PUNCT
eurjchem-2045	85	1	344	344	NUM
eurjchem-2045	85	2	oyegoke	oyegoke	VERB
eurjchem-2045	85	3	et	et	PROPN
eurjchem-2045	85	4	al	al	PROPN
eurjchem-2045	85	5	.	.	PUNCT
eurjchem-2045	85	6	/	/	SYM
eurjchem-2045	85	7	european	european	PROPN
eurjchem-2045	85	8	journal	journal	PROPN
eurjchem-2045	85	9	of	of	ADP
eurjchem-2045	85	10	chemistry	chemistry	NOUN
eurjchem-2045	85	11	11	11	NUM
eurjchem-2045	85	12	(	(	PUNCT
eurjchem-2045	85	13	4	4	NUM
eurjchem-2045	85	14	)	)	PUNCT
eurjchem-2045	85	15	(	(	PUNCT
eurjchem-2045	85	16	2020	2020	NUM
eurjchem-2045	85	17	)	)	PUNCT
eurjchem-2045	85	18	342	342	NUM
eurjchem-2045	85	19	-	-	SYM
eurjchem-2045	85	20	350	350	NUM
eurjchem-2045	85	21	2020	2020	NUM
eurjchem-2045	85	22	–	–	PUNCT
eurjchem-2045	85	23	european	european	ADJ
eurjchem-2045	85	24	journal	journal	NOUN
eurjchem-2045	85	25	of	of	ADP
eurjchem-2045	85	26	chemistry	chemistry	NOUN
eurjchem-2045	85	27	–	–	PUNCT
eurjchem-2045	85	28	cc	cc	NOUN
eurjchem-2045	85	29	by	by	ADP
eurjchem-2045	85	30	nc	nc	PROPN
eurjchem-2045	85	31	–	–	PUNCT
eurjchem-2045	85	32	doi	doi	NOUN
eurjchem-2045	85	33	:	:	PUNCT
eurjchem-2045	85	34	10.5155	10.5155	NUM
eurjchem-2045	85	35	/	/	SYM
eurjchem-2045	85	36	eurjchem.11.4.342	eurjchem.11.4.342	NUM
eurjchem-2045	85	37	-	-	PUNCT
eurjchem-2045	85	38	350.2045	350.2045	NUM
eurjchem-2045	85	39	figure	figure	NOUN
eurjchem-2045	85	40	2	2	NUM
eurjchem-2045	85	41	.	.	PUNCT
eurjchem-2045	85	42	chromium	chromium	NOUN
eurjchem-2045	85	43	(	(	PUNCT
eurjchem-2045	85	44	iii	iii	NOUN
eurjchem-2045	85	45	)	)	PUNCT
eurjchem-2045	85	46	oxide	oxide	NOUN
eurjchem-2045	85	47	catalyst	catalyst	NOUN
eurjchem-2045	85	48	ir	ir	PROPN
eurjchem-2045	85	49	spectra	spectra	PROPN
eurjchem-2045	85	50	obtained	obtain	VERB
eurjchem-2045	85	51	from	from	ADP
eurjchem-2045	85	52	different	different	ADJ
eurjchem-2045	85	53	approaches	approach	NOUN
eurjchem-2045	85	54	.	.	PUNCT
eurjchem-2045	86	1	thermodynamic	thermodynamic	ADJ
eurjchem-2045	86	2	properties	property	NOUN
eurjchem-2045	86	3	for	for	ADP
eurjchem-2045	86	4	the	the	DET
eurjchem-2045	86	5	chemical	chemical	ADJ
eurjchem-2045	86	6	species	specie	NOUN
eurjchem-2045	86	7	in	in	ADP
eurjchem-2045	86	8	this	this	DET
eurjchem-2045	86	9	study	study	NOUN
eurjchem-2045	86	10	employed	employ	VERB
eurjchem-2045	86	11	the	the	DET
eurjchem-2045	86	12	following	follow	VERB
eurjchem-2045	86	13	conditions	condition	NOUN
eurjchem-2045	86	14	and	and	CCONJ
eurjchem-2045	86	15	models	model	NOUN
eurjchem-2045	86	16	in	in	ADP
eurjchem-2045	86	17	the	the	DET
eurjchem-2045	86	18	computation	computation	NOUN
eurjchem-2045	86	19	of	of	ADP
eurjchem-2045	86	20	gibb	gibb	PROPN
eurjchem-2045	86	21	free	free	PROPN
eurjchem-2045	86	22	energy	energy	NOUN
eurjchem-2045	86	23	(	(	PUNCT
eurjchem-2045	86	24	g	g	NOUN
eurjchem-2045	86	25	)	)	PUNCT
eurjchem-2045	86	26	.	.	PUNCT
eurjchem-2045	87	1	2.2.1	2.2.1	NUM
eurjchem-2045	87	2	.	.	PUNCT
eurjchem-2045	87	3	gas	gas	NOUN
eurjchem-2045	87	4	-	-	PUNCT
eurjchem-2045	87	5	phase	phase	NOUN
eurjchem-2045	87	6	species	specie	VERB
eurjchem-2045	87	7	the	the	DET
eurjchem-2045	87	8	properties	property	NOUN
eurjchem-2045	87	9	of	of	ADP
eurjchem-2045	87	10	gas	gas	NOUN
eurjchem-2045	87	11	-	-	PUNCT
eurjchem-2045	87	12	phase	phase	NOUN
eurjchem-2045	87	13	species	specie	NOUN
eurjchem-2045	87	14	were	be	AUX
eurjchem-2045	87	15	computed	compute	VERB
eurjchem-2045	87	16	,	,	PUNCT
eurjchem-2045	87	17	taking	take	VERB
eurjchem-2045	87	18	account	account	NOUN
eurjchem-2045	87	19	of	of	ADP
eurjchem-2045	87	20	all	all	DET
eurjchem-2045	87	21	contributions	contribution	NOUN
eurjchem-2045	87	22	(	(	PUNCT
eurjchem-2045	87	23	that	that	PRON
eurjchem-2045	87	24	is	be	AUX
eurjchem-2045	87	25	,	,	PUNCT
eurjchem-2045	87	26	translational	translational	ADJ
eurjchem-2045	87	27	,	,	PUNCT
eurjchem-2045	87	28	rotational	rotational	ADJ
eurjchem-2045	87	29	,	,	PUNCT
eurjchem-2045	87	30	and	and	CCONJ
eurjchem-2045	87	31	vibrational	vibrational	ADJ
eurjchem-2045	87	32	motion	motion	NOUN
eurjchem-2045	87	33	effects	effect	NOUN
eurjchem-2045	87	34	)	)	PUNCT
eurjchem-2045	87	35	to	to	ADP
eurjchem-2045	87	36	the	the	DET
eurjchem-2045	87	37	overall	overall	ADJ
eurjchem-2045	87	38	thermodynamic	thermodynamic	ADJ
eurjchem-2045	87	39	parameters	parameter	NOUN
eurjchem-2045	87	40	that	that	PRON
eurjchem-2045	87	41	yield	yield	VERB
eurjchem-2045	87	42	the	the	DET
eurjchem-2045	87	43	species	specie	NOUN
eurjchem-2045	87	44	’	'	PUNCT
eurjchem-2045	87	45	free	free	ADJ
eurjchem-2045	87	46	energies	energy	NOUN
eurjchem-2045	87	47	in	in	ADP
eurjchem-2045	87	48	the	the	DET
eurjchem-2045	87	49	reaction	reaction	NOUN
eurjchem-2045	87	50	steps	step	NOUN
eurjchem-2045	87	51	.	.	PUNCT
eurjchem-2045	88	1	𝐺𝐺𝑔𝑔𝑙𝑙𝑡𝑡	𝐺𝐺𝑔𝑔𝑙𝑙𝑡𝑡	PROPN
eurjchem-2045	88	2	=	=	PUNCT
eurjchem-2045	88	3	𝐻𝐻𝑡𝑡	𝐻𝐻𝑡𝑡	PROPN
eurjchem-2045	88	4	+	+	PROPN
eurjchem-2045	88	5	𝐻𝐻𝑙𝑙	𝐻𝐻𝑙𝑙	PROPN
eurjchem-2045	89	1	+	+	NUM
eurjchem-2045	89	2	𝐻𝐻𝑣𝑣	𝐻𝐻𝑣𝑣	PROPN
eurjchem-2045	89	3	+	+	CCONJ
eurjchem-2045	89	4	𝑍𝑍𝑙𝑙𝑙𝑙𝑙𝑙𝑒𝑒𝑡𝑡	𝑍𝑍𝑙𝑙𝑙𝑙𝑙𝑙𝑒𝑒𝑡𝑡	PROPN
eurjchem-2045	89	5	+	+	CCONJ
eurjchem-2045	89	6	𝑍𝑍𝑍𝑍𝑍𝑍	𝑍𝑍𝑍𝑍𝑍𝑍	VERB
eurjchem-2045	89	7	−	−	PUNCT
eurjchem-2045	89	8	𝑅𝑅(𝑠𝑠𝑡𝑡	𝑅𝑅(𝑠𝑠𝑡𝑡	NOUN
eurjchem-2045	89	9	+	+	PUNCT
eurjchem-2045	89	10	𝑠𝑠𝑙𝑙	𝑠𝑠𝑙𝑙	ADJ
eurjchem-2045	89	11	+	+	CCONJ
eurjchem-2045	89	12	𝑠𝑠𝑣𝑣	𝑠𝑠𝑣𝑣	ADJ
eurjchem-2045	89	13	)	)	PUNCT
eurjchem-2045	89	14	(	(	PUNCT
eurjchem-2045	89	15	8)	8)	NOUN
eurjchem-2045	89	16	2.2.2	2.2.2	NUM
eurjchem-2045	89	17	.	.	PUNCT
eurjchem-2045	90	1	catalyst	catalyst	NOUN
eurjchem-2045	90	2	slab	slab	NOUN
eurjchem-2045	90	3	all	all	DET
eurjchem-2045	90	4	effects	effect	NOUN
eurjchem-2045	90	5	of	of	ADP
eurjchem-2045	90	6	translation	translation	NOUN
eurjchem-2045	90	7	and	and	CCONJ
eurjchem-2045	90	8	rotation	rotation	NOUN
eurjchem-2045	90	9	were	be	AUX
eurjchem-2045	90	10	taken	take	VERB
eurjchem-2045	90	11	to	to	PART
eurjchem-2045	90	12	be	be	AUX
eurjchem-2045	90	13	zero	zero	NUM
eurjchem-2045	90	14	for	for	ADP
eurjchem-2045	90	15	the	the	DET
eurjchem-2045	90	16	catalyst	catalyst	NOUN
eurjchem-2045	90	17	species	specie	NOUN
eurjchem-2045	90	18	since	since	SCONJ
eurjchem-2045	90	19	the	the	DET
eurjchem-2045	90	20	catalyst	catalyst	NOUN
eurjchem-2045	90	21	is	be	AUX
eurjchem-2045	90	22	fixed	fix	VERB
eurjchem-2045	90	23	,	,	PUNCT
eurjchem-2045	90	24	being	be	AUX
eurjchem-2045	90	25	a	a	DET
eurjchem-2045	90	26	solid	solid	ADJ
eurjchem-2045	90	27	catalyst	catalyst	NOUN
eurjchem-2045	90	28	in	in	ADP
eurjchem-2045	90	29	the	the	DET
eurjchem-2045	90	30	estimation	estimation	NOUN
eurjchem-2045	90	31	of	of	ADP
eurjchem-2045	90	32	the	the	DET
eurjchem-2045	90	33	catalyst	catalyst	NOUN
eurjchem-2045	90	34	-	-	PUNCT
eurjchem-2045	90	35	free	free	ADJ
eurjchem-2045	90	36	energy	energy	NOUN
eurjchem-2045	90	37	.	.	PUNCT
eurjchem-2045	91	1	𝐺𝐺𝑒𝑒𝑙𝑙𝑡𝑡	𝐺𝐺𝑒𝑒𝑙𝑙𝑡𝑡	PROPN
eurjchem-2045	91	2	≈	≈	PROPN
eurjchem-2045	91	3	𝑍𝑍𝑙𝑙𝑙𝑙𝑙𝑙𝑒𝑒𝑡𝑡	𝑍𝑍𝑙𝑙𝑙𝑙𝑙𝑙𝑒𝑒𝑡𝑡	PROPN
eurjchem-2045	91	4	+	+	NUM
eurjchem-2045	91	5	𝑍𝑍𝑍𝑍𝑍𝑍	𝑍𝑍𝑍𝑍𝑍𝑍	PROPN
eurjchem-2045	91	6	+	+	PROPN
eurjchem-2045	92	1	𝐻𝐻𝑣𝑣	𝐻𝐻𝑣𝑣	PROPN
eurjchem-2045	92	2	−	−	PROPN
eurjchem-2045	92	3	𝑅𝑅(𝑠𝑠𝑣𝑣	𝑅𝑅(𝑠𝑠𝑣𝑣	NOUN
eurjchem-2045	92	4	)	)	PUNCT
eurjchem-2045	92	5	(	(	PUNCT
eurjchem-2045	92	6	9	9	NUM
eurjchem-2045	92	7	)	)	PUNCT
eurjchem-2045	92	8	2.2.3	2.2.3	NUM
eurjchem-2045	92	9	.	.	PUNCT
eurjchem-2045	93	1	surface	surface	NOUN
eurjchem-2045	93	2	species	specie	NOUN
eurjchem-2045	93	3	the	the	DET
eurjchem-2045	93	4	contribution	contribution	NOUN
eurjchem-2045	93	5	of	of	ADP
eurjchem-2045	93	6	vibrational	vibrational	ADJ
eurjchem-2045	93	7	motion	motion	NOUN
eurjchem-2045	93	8	was	be	AUX
eurjchem-2045	93	9	thoroughly	thoroughly	ADV
eurjchem-2045	93	10	considered	consider	VERB
eurjchem-2045	93	11	.	.	PUNCT
eurjchem-2045	94	1	nevertheless	nevertheless	ADV
eurjchem-2045	94	2	,	,	PUNCT
eurjchem-2045	94	3	a	a	DET
eurjchem-2045	94	4	half	half	NOUN
eurjchem-2045	94	5	(	(	PUNCT
eurjchem-2045	94	6	1/2	1/2	NUM
eurjchem-2045	94	7	)	)	PUNCT
eurjchem-2045	94	8	rotational	rotational	ADJ
eurjchem-2045	94	9	motion	motion	NOUN
eurjchem-2045	94	10	and	and	CCONJ
eurjchem-2045	94	11	two	two	NUM
eurjchem-2045	94	12	-	-	PUNCT
eurjchem-2045	94	13	thirds	third	NOUN
eurjchem-2045	94	14	(	(	PUNCT
eurjchem-2045	94	15	2/3	2/3	NUM
eurjchem-2045	94	16	)	)	PUNCT
eurjchem-2045	94	17	translational	translational	ADJ
eurjchem-2045	94	18	contributions	contribution	NOUN
eurjchem-2045	94	19	were	be	AUX
eurjchem-2045	94	20	considered	consider	VERB
eurjchem-2045	94	21	in	in	ADP
eurjchem-2045	94	22	the	the	DET
eurjchem-2045	94	23	estimation	estimation	NOUN
eurjchem-2045	94	24	of	of	ADP
eurjchem-2045	94	25	the	the	DET
eurjchem-2045	94	26	adsorbate	adsorbate	NOUN
eurjchem-2045	94	27	’s	’s	PART
eurjchem-2045	94	28	free	free	ADJ
eurjchem-2045	94	29	energy	energy	NOUN
eurjchem-2045	94	30	(	(	PUNCT
eurjchem-2045	94	31	i.e.	i.e.	X
eurjchem-2045	94	32	,	,	PUNCT
eurjchem-2045	94	33	the	the	DET
eurjchem-2045	94	34	surface	surface	NOUN
eurjchem-2045	94	35	species	specie	NOUN
eurjchem-2045	94	36	)	)	PUNCT
eurjchem-2045	94	37	,	,	PUNCT
eurjchem-2045	94	38	with	with	ADP
eurjchem-2045	94	39	the	the	DET
eurjchem-2045	94	40	inclusion	inclusion	NOUN
eurjchem-2045	94	41	of	of	ADP
eurjchem-2045	94	42	catalyst	catalyst	NOUN
eurjchem-2045	94	43	configuration	configuration	NOUN
eurjchem-2045	94	44	effect	effect	NOUN
eurjchem-2045	94	45	on	on	ADP
eurjchem-2045	94	46	the	the	DET
eurjchem-2045	94	47	total	total	ADJ
eurjchem-2045	94	48	free	free	ADJ
eurjchem-2045	94	49	energy	energy	NOUN
eurjchem-2045	94	50	.	.	PUNCT
eurjchem-2045	95	1	𝐺𝐺𝑙𝑙𝑎𝑎𝑡𝑡	𝐺𝐺𝑙𝑙𝑎𝑎𝑡𝑡	PROPN
eurjchem-2045	95	2	=	=	PUNCT
eurjchem-2045	95	3	𝐻𝐻v	𝐻𝐻v	NOUN
eurjchem-2045	95	4	+	+	CCONJ
eurjchem-2045	95	5	2	2	NUM
eurjchem-2045	95	6	3	3	NUM
eurjchem-2045	95	7	𝐻𝐻𝑡𝑡	𝐻𝐻𝑡𝑡	ADJ
eurjchem-2045	95	8	+	+	CCONJ
eurjchem-2045	95	9	1	1	NUM
eurjchem-2045	95	10	2	2	NUM
eurjchem-2045	95	11	𝐻𝐻𝑙𝑙	𝐻𝐻𝑙𝑙	PROPN
eurjchem-2045	95	12	+	+	CCONJ
eurjchem-2045	95	13	𝑍𝑍𝑙𝑙𝑙𝑙𝑙𝑙𝑒𝑒𝑡𝑡	𝑍𝑍𝑙𝑙𝑙𝑙𝑙𝑙𝑒𝑒𝑡𝑡	PROPN
eurjchem-2045	95	14	+	+	NUM
eurjchem-2045	95	15	𝑍𝑍𝑍𝑍𝑍𝑍	𝑍𝑍𝑍𝑍𝑍𝑍	PROPN
eurjchem-2045	95	16	−	−	PROPN
eurjchem-2045	95	17	𝑅𝑅	𝑅𝑅	PROPN
eurjchem-2045	95	18	�	�	PROPN
eurjchem-2045	95	19	𝑠𝑠𝑣𝑣	𝑠𝑠𝑣𝑣	PROPN
eurjchem-2045	95	20	+	+	CCONJ
eurjchem-2045	95	21	2	2	NUM
eurjchem-2045	95	22	3𝑠𝑠𝑡𝑡	3𝑠𝑠𝑡𝑡	NUM
eurjchem-2045	95	23	+	+	CCONJ
eurjchem-2045	95	24	1	1	NUM
eurjchem-2045	95	25	2𝑠𝑠𝑙𝑙	2𝑠𝑠𝑙𝑙	NUM
eurjchem-2045	95	26	+	+	NUM
eurjchem-2045	95	27	𝑠𝑠𝑒𝑒𝑟𝑟𝑙𝑙𝑐𝑐𝑙𝑙𝑔𝑔	𝑠𝑠𝑒𝑒𝑟𝑟𝑙𝑙𝑐𝑐𝑙𝑙𝑔𝑔	NOUN
eurjchem-2045	95	28	�	�	PROPN
eurjchem-2045	95	29	(	(	PUNCT
eurjchem-2045	95	30	10	10	NUM
eurjchem-2045	95	31	)	)	PUNCT
eurjchem-2045	95	32	a	a	DET
eurjchem-2045	95	33	2	2	NUM
eurjchem-2045	95	34	-	-	PUNCT
eurjchem-2045	95	35	d	d	NOUN
eurjchem-2045	95	36	gas	gas	NOUN
eurjchem-2045	95	37	approximation	approximation	NOUN
eurjchem-2045	96	1	[	[	X
eurjchem-2045	96	2	28,29	28,29	X
eurjchem-2045	96	3	]	]	PUNCT
eurjchem-2045	96	4	was	be	AUX
eurjchem-2045	96	5	employed	employ	VERB
eurjchem-2045	96	6	in	in	ADP
eurjchem-2045	96	7	this	this	DET
eurjchem-2045	96	8	study	study	NOUN
eurjchem-2045	96	9	to	to	PART
eurjchem-2045	96	10	treat	treat	VERB
eurjchem-2045	96	11	the	the	DET
eurjchem-2045	96	12	adsorbate	adsorbate	NOUN
eurjchem-2045	96	13	with	with	ADP
eurjchem-2045	96	14	the	the	DET
eurjchem-2045	96	15	use	use	NOUN
eurjchem-2045	96	16	of	of	ADP
eurjchem-2045	96	17	hinder	hinder	NOUN
eurjchem-2045	96	18	rotor	rotor	NOUN
eurjchem-2045	96	19	/	/	PUNCT
eurjchem-2045	96	20	hindered	hinder	VERB
eurjchem-2045	96	21	translator	translator	NOUN
eurjchem-2045	96	22	models	model	NOUN
eurjchem-2045	96	23	as	as	ADP
eurjchem-2045	96	24	an	an	DET
eurjchem-2045	96	25	alternative	alternative	ADJ
eurjchem-2045	96	26	harmonic	harmonic	ADJ
eurjchem-2045	96	27	oscillation	oscillation	NOUN
eurjchem-2045	96	28	approximation	approximation	NOUN
eurjchem-2045	96	29	.	.	PUNCT
eurjchem-2045	97	1	this	this	PRON
eurjchem-2045	97	2	accounts	account	VERB
eurjchem-2045	97	3	for	for	ADP
eurjchem-2045	97	4	the	the	DET
eurjchem-2045	97	5	loss	loss	NOUN
eurjchem-2045	97	6	of	of	ADP
eurjchem-2045	97	7	a	a	DET
eurjchem-2045	97	8	degree	degree	NOUN
eurjchem-2045	97	9	of	of	ADP
eurjchem-2045	97	10	freedom	freedom	NOUN
eurjchem-2045	97	11	in	in	ADP
eurjchem-2045	97	12	both	both	CCONJ
eurjchem-2045	97	13	translational	translational	ADJ
eurjchem-2045	97	14	and	and	CCONJ
eurjchem-2045	97	15	rotation	rotation	NOUN
eurjchem-2045	97	16	motion	motion	NOUN
eurjchem-2045	97	17	contributions	contribution	NOUN
eurjchem-2045	97	18	in	in	ADP
eurjchem-2045	97	19	an	an	DET
eurjchem-2045	97	20	adsorbate	adsorbate	NOUN
eurjchem-2045	97	21	[	[	X
eurjchem-2045	97	22	30,31	30,31	NUM
eurjchem-2045	97	23	]	]	PUNCT
eurjchem-2045	97	24	,	,	PUNCT
eurjchem-2045	97	25	which	which	PRON
eurjchem-2045	97	26	has	have	AUX
eurjchem-2045	97	27	underestimated	underestimate	VERB
eurjchem-2045	97	28	the	the	DET
eurjchem-2045	97	29	contribution	contribution	NOUN
eurjchem-2045	97	30	of	of	ADP
eurjchem-2045	97	31	rotation	rotation	NOUN
eurjchem-2045	97	32	and	and	CCONJ
eurjchem-2045	97	33	translational	translational	ADJ
eurjchem-2045	97	34	motion	motion	NOUN
eurjchem-2045	97	35	effects	effect	NOUN
eurjchem-2045	97	36	in	in	ADP
eurjchem-2045	97	37	the	the	DET
eurjchem-2045	97	38	computation	computation	NOUN
eurjchem-2045	97	39	of	of	ADP
eurjchem-2045	97	40	adsorbates	adsorbate	NOUN
eurjchem-2045	97	41	’	'	PUNCT
eurjchem-2045	97	42	free	free	ADJ
eurjchem-2045	97	43	energies	energy	NOUN
eurjchem-2045	97	44	.	.	PUNCT
eurjchem-2045	98	1	where	where	SCONJ
eurjchem-2045	98	2	,	,	PUNCT
eurjchem-2045	98	3	eelect	eelect	ADJ
eurjchem-2045	98	4	=	=	SYM
eurjchem-2045	98	5	electronic	electronic	ADJ
eurjchem-2045	98	6	energies	energy	NOUN
eurjchem-2045	98	7	,	,	PUNCT
eurjchem-2045	98	8	g	g	PROPN
eurjchem-2045	98	9	=	=	PROPN
eurjchem-2045	98	10	gibb	gibb	PROPN
eurjchem-2045	98	11	free	free	ADJ
eurjchem-2045	98	12	energies	energy	NOUN
eurjchem-2045	98	13	,	,	PUNCT
eurjchem-2045	98	14	h	h	NOUN
eurjchem-2045	98	15	=	=	SYM
eurjchem-2045	98	16	enthalpy	enthalpy	NOUN
eurjchem-2045	98	17	,	,	PUNCT
eurjchem-2045	98	18	kb	kb	PROPN
eurjchem-2045	98	19	=	=	PROPN
eurjchem-2045	98	20	boltzmann	boltzmann	PROPN
eurjchem-2045	98	21	constant	constant	PROPN
eurjchem-2045	98	22	,	,	PUNCT
eurjchem-2045	98	23	po=	po=	PROPN
eurjchem-2045	98	24	standard	standard	ADJ
eurjchem-2045	98	25	pressure	pressure	NOUN
eurjchem-2045	98	26	,	,	PUNCT
eurjchem-2045	98	27	r	r	NOUN
eurjchem-2045	98	28	=	=	SYM
eurjchem-2045	98	29	gas	gas	NOUN
eurjchem-2045	98	30	constant	constant	ADJ
eurjchem-2045	98	31	,	,	PUNCT
eurjchem-2045	98	32	s	s	PART
eurjchem-2045	98	33	=	=	NOUN
eurjchem-2045	98	34	entropy	entropy	PROPN
eurjchem-2045	98	35	,	,	PUNCT
eurjchem-2045	98	36	t	t	NOUN
eurjchem-2045	98	37	=	=	SYM
eurjchem-2045	98	38	temperature	temperature	NOUN
eurjchem-2045	98	39	,	,	PUNCT
eurjchem-2045	98	40	zpe	zpe	NOUN
eurjchem-2045	98	41	=	=	NOUN
eurjchem-2045	98	42	zero	zero	NUM
eurjchem-2045	98	43	-	-	PUNCT
eurjchem-2045	98	44	point	point	NOUN
eurjchem-2045	98	45	energy	energy	NOUN
eurjchem-2045	98	46	,	,	PUNCT
eurjchem-2045	98	47	r	r	NOUN
eurjchem-2045	98	48	=	=	SYM
eurjchem-2045	98	49	rotational	rotational	ADJ
eurjchem-2045	98	50	effect	effect	NOUN
eurjchem-2045	98	51	contributions	contribution	NOUN
eurjchem-2045	98	52	,	,	PUNCT
eurjchem-2045	98	53	t	t	NOUN
eurjchem-2045	98	54	=	=	SYM
eurjchem-2045	98	55	translational	translational	ADJ
eurjchem-2045	98	56	effect	effect	NOUN
eurjchem-2045	98	57	contributions	contribution	NOUN
eurjchem-2045	98	58	,	,	PUNCT
eurjchem-2045	98	59	and	and	CCONJ
eurjchem-2045	98	60	v	v	NOUN
eurjchem-2045	98	61	=	=	ADJ
eurjchem-2045	98	62	vibrational	vibrational	ADJ
eurjchem-2045	98	63	effect	effect	NOUN
eurjchem-2045	98	64	contributions	contribution	NOUN
eurjchem-2045	98	65	.	.	PUNCT
eurjchem-2045	99	1	2.3	2.3	NUM
eurjchem-2045	99	2	.	.	PUNCT
eurjchem-2045	100	1	reaction	reaction	NOUN
eurjchem-2045	100	2	mechanism	mechanism	NOUN
eurjchem-2045	100	3	scheme	scheme	NOUN
eurjchem-2045	100	4	this	this	DET
eurjchem-2045	100	5	reaction	reaction	NOUN
eurjchem-2045	100	6	initiates	initiate	VERB
eurjchem-2045	100	7	with	with	ADP
eurjchem-2045	100	8	the	the	DET
eurjchem-2045	100	9	adsorption	adsorption	NOUN
eurjchem-2045	100	10	of	of	ADP
eurjchem-2045	100	11	propane	propane	NOUN
eurjchem-2045	100	12	on	on	ADP
eurjchem-2045	100	13	the	the	DET
eurjchem-2045	100	14	catalyst	catalyst	NOUN
eurjchem-2045	100	15	surface	surface	NOUN
eurjchem-2045	100	16	.	.	PUNCT
eurjchem-2045	101	1	next	next	ADV
eurjchem-2045	101	2	was	be	AUX
eurjchem-2045	101	3	the	the	DET
eurjchem-2045	101	4	activation	activation	NOUN
eurjchem-2045	101	5	of	of	ADP
eurjchem-2045	101	6	propane	propane	NOUN
eurjchem-2045	101	7	across	across	ADP
eurjchem-2045	101	8	the	the	DET
eurjchem-2045	101	9	c	c	NOUN
eurjchem-2045	101	10	-	-	PUNCT
eurjchem-2045	101	11	h	h	NOUN
eurjchem-2045	101	12	bond	bond	NOUN
eurjchem-2045	101	13	to	to	PART
eurjchem-2045	101	14	give	give	VERB
eurjchem-2045	101	15	isopropyl	isopropyl	NOUN
eurjchem-2045	101	16	(	(	PUNCT
eurjchem-2045	101	17	1	1	NUM
eurjchem-2045	101	18	-	-	PUNCT
eurjchem-2045	101	19	propyl	propyl	ADJ
eurjchem-2045	101	20	and	and	CCONJ
eurjchem-2045	101	21	2	2	NUM
eurjchem-2045	101	22	-	-	PUNCT
eurjchem-2045	101	23	propyl	propyl	NOUN
eurjchem-2045	101	24	)	)	PUNCT
eurjchem-2045	101	25	.	.	PUNCT
eurjchem-2045	102	1	this	this	DET
eurjchem-2045	102	2	propyl	propyl	NOUN
eurjchem-2045	102	3	further	far	ADV
eurjchem-2045	102	4	undergoes	undergo	VERB
eurjchem-2045	102	5	a	a	DET
eurjchem-2045	102	6	second	second	ADJ
eurjchem-2045	102	7	hydrogen	hydrogen	NOUN
eurjchem-2045	102	8	abstraction	abstraction	NOUN
eurjchem-2045	102	9	to	to	PART
eurjchem-2045	102	10	provide	provide	VERB
eurjchem-2045	102	11	adsorbed	adsorb	VERB
eurjchem-2045	102	12	propylene	propylene	NOUN
eurjchem-2045	102	13	on	on	ADP
eurjchem-2045	102	14	the	the	DET
eurjchem-2045	102	15	catalyst	catalyst	NOUN
eurjchem-2045	102	16	surface	surface	NOUN
eurjchem-2045	102	17	.	.	PUNCT
eurjchem-2045	103	1	the	the	DET
eurjchem-2045	103	2	reaction	reaction	NOUN
eurjchem-2045	103	3	ends	end	VERB
eurjchem-2045	103	4	with	with	ADP
eurjchem-2045	103	5	the	the	DET
eurjchem-2045	103	6	desorption	desorption	NOUN
eurjchem-2045	103	7	of	of	ADP
eurjchem-2045	103	8	both	both	DET
eurjchem-2045	103	9	propylene	propylene	NOUN
eurjchem-2045	103	10	and	and	CCONJ
eurjchem-2045	103	11	hydrogen	hydrogen	NOUN
eurjchem-2045	103	12	gas	gas	NOUN
eurjchem-2045	103	13	from	from	ADP
eurjchem-2045	103	14	the	the	DET
eurjchem-2045	103	15	surface	surface	NOUN
eurjchem-2045	103	16	of	of	ADP
eurjchem-2045	103	17	the	the	DET
eurjchem-2045	103	18	catalyst	catalyst	NOUN
eurjchem-2045	103	19	.	.	PUNCT
eurjchem-2045	104	1	the	the	DET
eurjchem-2045	104	2	mechanism	mechanism	NOUN
eurjchem-2045	104	3	for	for	ADP
eurjchem-2045	104	4	the	the	DET
eurjchem-2045	104	5	entire	entire	ADJ
eurjchem-2045	104	6	propane	propane	NOUN
eurjchem-2045	104	7	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	104	8	process	process	NOUN
eurjchem-2045	104	9	is	be	AUX
eurjchem-2045	104	10	presented	present	VERB
eurjchem-2045	104	11	using	use	VERB
eurjchem-2045	104	12	chemical	chemical	ADJ
eurjchem-2045	104	13	equations	equation	NOUN
eurjchem-2045	104	14	,	,	PUNCT
eurjchem-2045	104	15	where	where	SCONJ
eurjchem-2045	104	16	a	a	DET
eurjchem-2045	104	17	series	series	NOUN
eurjchem-2045	104	18	of	of	ADP
eurjchem-2045	104	19	chemical	chemical	ADJ
eurjchem-2045	104	20	equations	equation	NOUN
eurjchem-2045	104	21	are	be	AUX
eurjchem-2045	104	22	used	use	VERB
eurjchem-2045	104	23	to	to	PART
eurjchem-2045	104	24	showcase	showcase	VERB
eurjchem-2045	104	25	the	the	DET
eurjchem-2045	104	26	necessary	necessary	ADJ
eurjchem-2045	104	27	elementary	elementary	ADJ
eurjchem-2045	104	28	reaction	reaction	NOUN
eurjchem-2045	104	29	steps	step	NOUN
eurjchem-2045	104	30	involved	involve	VERB
eurjchem-2045	104	31	in	in	ADP
eurjchem-2045	104	32	this	this	DET
eurjchem-2045	104	33	study	study	NOUN
eurjchem-2045	104	34	.	.	PUNCT
eurjchem-2045	105	1	it	it	PRON
eurjchem-2045	105	2	should	should	AUX
eurjchem-2045	105	3	be	be	AUX
eurjchem-2045	105	4	noted	note	VERB
eurjchem-2045	105	5	that	that	SCONJ
eurjchem-2045	105	6	the	the	DET
eurjchem-2045	105	7	isopropyl(s	isopropyl(	NOUN
eurjchem-2045	105	8	)	)	PUNCT
eurjchem-2045	105	9	could	could	AUX
eurjchem-2045	105	10	be	be	AUX
eurjchem-2045	105	11	either	either	PRON
eurjchem-2045	105	12	1	1	NUM
eurjchem-2045	105	13	-	-	PUNCT
eurjchem-2045	105	14	propyl	propyl	NOUN
eurjchem-2045	105	15	or	or	CCONJ
eurjchem-2045	105	16	2propyl	2propyl	NUM
eurjchem-2045	105	17	.	.	PUNCT
eurjchem-2045	106	1	the	the	DET
eurjchem-2045	106	2	x	x	PROPN
eurjchem-2045	106	3	denotes	denote	VERB
eurjchem-2045	106	4	a	a	DET
eurjchem-2045	106	5	catalyst	catalyst	NOUN
eurjchem-2045	106	6	site	site	NOUN
eurjchem-2045	106	7	,	,	PUNCT
eurjchem-2045	106	8	chromium	chromium	NOUN
eurjchem-2045	106	9	(	(	PUNCT
eurjchem-2045	106	10	cr	cr	NOUN
eurjchem-2045	106	11	)	)	PUNCT
eurjchem-2045	106	12	,	,	PUNCT
eurjchem-2045	106	13	or	or	CCONJ
eurjchem-2045	106	14	oxygen	oxygen	NOUN
eurjchem-2045	106	15	(	(	PUNCT
eurjchem-2045	106	16	o	o	NOUN
eurjchem-2045	106	17	)	)	PUNCT
eurjchem-2045	106	18	site	site	NOUN
eurjchem-2045	106	19	.	.	PUNCT
eurjchem-2045	107	1	3	3	X
eurjchem-2045	107	2	.	.	NOUN
eurjchem-2045	107	3	results	result	NOUN
eurjchem-2045	107	4	and	and	CCONJ
eurjchem-2045	107	5	discussions	discussion	NOUN
eurjchem-2045	107	6	the	the	DET
eurjchem-2045	107	7	ir	ir	PROPN
eurjchem-2045	107	8	spectrum	spectrum	NOUN
eurjchem-2045	107	9	obtained	obtain	VERB
eurjchem-2045	107	10	for	for	ADP
eurjchem-2045	107	11	the	the	DET
eurjchem-2045	107	12	catalyst	catalyst	NOUN
eurjchem-2045	107	13	cluster	cluster	NOUN
eurjchem-2045	107	14	used	use	VERB
eurjchem-2045	107	15	in	in	ADP
eurjchem-2045	107	16	this	this	DET
eurjchem-2045	107	17	study	study	NOUN
eurjchem-2045	107	18	was	be	AUX
eurjchem-2045	107	19	compared	compare	VERB
eurjchem-2045	107	20	with	with	ADP
eurjchem-2045	107	21	the	the	DET
eurjchem-2045	107	22	ir	ir	PROPN
eurjchem-2045	107	23	spectrum	spectrum	NOUN
eurjchem-2045	107	24	collected	collect	VERB
eurjchem-2045	107	25	from	from	ADP
eurjchem-2045	107	26	an	an	DET
eurjchem-2045	107	27	experimental	experimental	ADJ
eurjchem-2045	107	28	study	study	NOUN
eurjchem-2045	107	29	obtained	obtain	VERB
eurjchem-2045	107	30	from	from	ADP
eurjchem-2045	107	31	bio	bio	PROPN
eurjchem-2045	107	32	-	-	ADJ
eurjchem-2045	107	33	rad	rad	PROPN
eurjchem-2045	107	34	laboratories	laboratory	NOUN
eurjchem-2045	107	35	,	,	PUNCT
eurjchem-2045	107	36	inc	inc	PROPN
eurjchem-2045	107	37	.	.	PROPN
eurjchem-2045	107	38	spectrabase	spectrabase	PROPN
eurjchem-2045	107	39	(	(	PUNCT
eurjchem-2045	107	40	figure	figure	NOUN
eurjchem-2045	107	41	2	2	NUM
eurjchem-2045	107	42	)	)	PUNCT
eurjchem-2045	107	43	[	[	X
eurjchem-2045	107	44	32	32	NUM
eurjchem-2045	107	45	]	]	PUNCT
eurjchem-2045	107	46	.	.	PUNCT
eurjchem-2045	108	1	the	the	DET
eurjchem-2045	108	2	findings	finding	NOUN
eurjchem-2045	108	3	from	from	ADP
eurjchem-2045	108	4	the	the	DET
eurjchem-2045	108	5	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	108	6	of	of	ADP
eurjchem-2045	108	7	propane	propane	NOUN
eurjchem-2045	108	8	into	into	ADP
eurjchem-2045	108	9	propylene	propylene	NOUN
eurjchem-2045	108	10	carried	carry	VERB
eurjchem-2045	108	11	out	out	ADP
eurjchem-2045	108	12	over	over	ADP
eurjchem-2045	108	13	the	the	DET
eurjchem-2045	108	14	chromium	chromium	NOUN
eurjchem-2045	108	15	oxide	oxide	NOUN
eurjchem-2045	108	16	catalyst	catalyst	NOUN
eurjchem-2045	108	17	evaluated	evaluate	VERB
eurjchem-2045	108	18	for	for	ADP
eurjchem-2045	108	19	the	the	DET
eurjchem-2045	108	20	cr	cr	PROPN
eurjchem-2045	108	21	-	-	PUNCT
eurjchem-2045	108	22	cr	cr	PROPN
eurjchem-2045	108	23	,	,	PUNCT
eurjchem-2045	108	24	cr	cr	PROPN
eurjchem-2045	108	25	-	-	PUNCT
eurjchem-2045	108	26	o	o	NOUN
eurjchem-2045	108	27	,	,	PUNCT
eurjchem-2045	108	28	o	o	PROPN
eurjchem-2045	108	29	-	-	PUNCT
eurjchem-2045	108	30	cr	cr	NOUN
eurjchem-2045	108	31	,	,	PUNCT
eurjchem-2045	108	32	and	and	CCONJ
eurjchem-2045	108	33	o	o	NOUN
eurjchem-2045	108	34	-	-	NOUN
eurjchem-2045	108	35	o	o	ADJ
eurjchem-2045	108	36	sites	site	NOUN
eurjchem-2045	108	37	,	,	PUNCT
eurjchem-2045	108	38	assessed	assess	VERB
eurjchem-2045	108	39	using	use	VERB
eurjchem-2045	108	40	schemes	scheme	NOUN
eurjchem-2045	108	41	1	1	NUM
eurjchem-2045	108	42	and	and	CCONJ
eurjchem-2045	108	43	2	2	NUM
eurjchem-2045	108	44	as	as	SCONJ
eurjchem-2045	108	45	represented	represent	VERB
eurjchem-2045	108	46	in	in	ADP
eurjchem-2045	108	47	figures	figure	NOUN
eurjchem-2045	108	48	3	3	NUM
eurjchem-2045	108	49	-	-	SYM
eurjchem-2045	108	50	8	8	NUM
eurjchem-2045	108	51	,	,	PUNCT
eurjchem-2045	108	52	are	be	AUX
eurjchem-2045	108	53	presented	present	VERB
eurjchem-2045	108	54	in	in	ADP
eurjchem-2045	108	55	this	this	DET
eurjchem-2045	108	56	section	section	NOUN
eurjchem-2045	108	57	.	.	PUNCT
eurjchem-2045	109	1	it	it	PRON
eurjchem-2045	109	2	was	be	AUX
eurjchem-2045	109	3	generally	generally	ADV
eurjchem-2045	109	4	identified	identify	VERB
eurjchem-2045	109	5	that	that	SCONJ
eurjchem-2045	109	6	all	all	DET
eurjchem-2045	109	7	reaction	reaction	NOUN
eurjchem-2045	109	8	mechanism	mechanism	NOUN
eurjchem-2045	109	9	evaluated	evaluate	VERB
eurjchem-2045	109	10	across	across	ADP
eurjchem-2045	109	11	the	the	DET
eurjchem-2045	109	12	different	different	ADJ
eurjchem-2045	109	13	site	site	NOUN
eurjchem-2045	109	14	pairs	pair	NOUN
eurjchem-2045	109	15	entails	entail	VERB
eurjchem-2045	109	16	six	six	NUM
eurjchem-2045	109	17	elementary	elementary	ADJ
eurjchem-2045	109	18	steps	step	NOUN
eurjchem-2045	109	19	,	,	PUNCT
eurjchem-2045	109	20	which	which	PRON
eurjchem-2045	109	21	indicate	indicate	VERB
eurjchem-2045	109	22	different	different	ADJ
eurjchem-2045	109	23	reaction	reaction	NOUN
eurjchem-2045	109	24	and	and	CCONJ
eurjchem-2045	109	25	activation	activation	NOUN
eurjchem-2045	109	26	energies	energy	NOUN
eurjchem-2045	109	27	for	for	ADP
eurjchem-2045	109	28	propane	propane	NOUN
eurjchem-2045	109	29	activated	activate	VERB
eurjchem-2045	109	30	across	across	ADP
eurjchem-2045	109	31	different	different	ADJ
eurjchem-2045	109	32	sites	site	NOUN
eurjchem-2045	109	33	or	or	CCONJ
eurjchem-2045	109	34	points	point	NOUN
eurjchem-2045	109	35	.	.	PUNCT
eurjchem-2045	110	1	3.1	3.1	NUM
eurjchem-2045	110	2	.	.	PUNCT
eurjchem-2045	110	3	evaluation	evaluation	NOUN
eurjchem-2045	110	4	of	of	ADP
eurjchem-2045	110	5	catalyst	catalyst	NOUN
eurjchem-2045	110	6	cluster	cluster	NOUN
eurjchem-2045	110	7	accuracy	accuracy	NOUN
eurjchem-2045	110	8	in	in	ADP
eurjchem-2045	110	9	the	the	DET
eurjchem-2045	110	10	modelling	modelling	NOUN
eurjchem-2045	110	11	of	of	ADP
eurjchem-2045	110	12	cr2o3	cr2o3	PROPN
eurjchem-2045	110	13	an	an	DET
eurjchem-2045	110	14	ir	ir	NOUN
eurjchem-2045	110	15	spectrum	spectrum	NOUN
eurjchem-2045	110	16	experimentally	experimentally	ADV
eurjchem-2045	110	17	collected	collect	VERB
eurjchem-2045	110	18	for	for	ADP
eurjchem-2045	110	19	chromium	chromium	NOUN
eurjchem-2045	110	20	oxide	oxide	NOUN
eurjchem-2045	110	21	catalysts	catalyst	NOUN
eurjchem-2045	110	22	from	from	ADP
eurjchem-2045	110	23	bio	bio	NOUN
eurjchem-2045	110	24	-	-	PROPN
eurjchem-2045	110	25	rad	rad	NOUN
eurjchem-2045	110	26	[	[	X
eurjchem-2045	110	27	32	32	NUM
eurjchem-2045	110	28	]	]	PUNCT
eurjchem-2045	110	29	and	and	CCONJ
eurjchem-2045	110	30	the	the	DET
eurjchem-2045	110	31	ir	ir	PROPN
eurjchem-2045	110	32	spectrum	spectrum	NOUN
eurjchem-2045	110	33	for	for	ADP
eurjchem-2045	110	34	the	the	DET
eurjchem-2045	110	35	catalyst	catalyst	NOUN
eurjchem-2045	110	36	cluster	cluster	NOUN
eurjchem-2045	110	37	obtained	obtain	VERB
eurjchem-2045	110	38	from	from	ADP
eurjchem-2045	110	39	the	the	DET
eurjchem-2045	110	40	density	density	NOUN
eurjchem-2045	110	41	functional	functional	ADJ
eurjchem-2045	110	42	theory	theory	NOUN
eurjchem-2045	110	43	calculation	calculation	NOUN
eurjchem-2045	110	44	carried	carry	VERB
eurjchem-2045	110	45	in	in	ADP
eurjchem-2045	110	46	spartan	spartan	ADJ
eurjchem-2045	110	47	18	18	NUM
eurjchem-2045	110	48	modeling	modeling	NOUN
eurjchem-2045	110	49	software	software	NOUN
eurjchem-2045	110	50	are	be	AUX
eurjchem-2045	110	51	presented	present	VERB
eurjchem-2045	110	52	in	in	ADP
eurjchem-2045	110	53	figure	figure	NOUN
eurjchem-2045	110	54	2	2	NUM
eurjchem-2045	110	55	.	.	PUNCT
eurjchem-2045	111	1	the	the	DET
eurjchem-2045	111	2	study	study	NOUN
eurjchem-2045	111	3	of	of	ADP
eurjchem-2045	111	4	the	the	DET
eurjchem-2045	111	5	ir	ir	PROPN
eurjchem-2045	111	6	spectra	spectra	PROPN
eurjchem-2045	111	7	in	in	ADP
eurjchem-2045	111	8	figure	figure	NOUN
eurjchem-2045	111	9	2	2	NUM
eurjchem-2045	111	10	reveals	reveal	VERB
eurjchem-2045	111	11	that	that	SCONJ
eurjchem-2045	111	12	the	the	DET
eurjchem-2045	111	13	experimentally	experimentally	ADV
eurjchem-2045	111	14	determined	determine	VERB
eurjchem-2045	111	15	ir	ir	PROPN
eurjchem-2045	111	16	spectra	spectra	PROPN
eurjchem-2045	111	17	displayed	display	VERB
eurjchem-2045	111	18	peaks	peak	NOUN
eurjchem-2045	111	19	around	around	ADP
eurjchem-2045	111	20	670	670	NUM
eurjchem-2045	111	21	and	and	CCONJ
eurjchem-2045	111	22	550	550	NUM
eurjchem-2045	111	23	cm-1	cm-1	NOUN
eurjchem-2045	111	24	,	,	PUNCT
eurjchem-2045	111	25	while	while	SCONJ
eurjchem-2045	111	26	the	the	DET
eurjchem-2045	111	27	computationally	computationally	ADV
eurjchem-2045	111	28	determined	determine	VERB
eurjchem-2045	111	29	ir	ir	PROPN
eurjchem-2045	111	30	spectra	spectra	NOUN
eurjchem-2045	111	31	with	with	ADP
eurjchem-2045	111	32	its	its	PRON
eurjchem-2045	111	33	peaks	peak	NOUN
eurjchem-2045	111	34	around	around	ADP
eurjchem-2045	111	35	675	675	NUM
eurjchem-2045	111	36	and	and	CCONJ
eurjchem-2045	111	37	545	545	NUM
eurjchem-2045	111	38	cm-1	cm-1	NOUN
eurjchem-2045	111	39	show	show	VERB
eurjchem-2045	111	40	a	a	DET
eurjchem-2045	111	41	good	good	ADJ
eurjchem-2045	111	42	agreement	agreement	NOUN
eurjchem-2045	111	43	with	with	ADP
eurjchem-2045	111	44	the	the	DET
eurjchem-2045	111	45	experiment	experiment	NOUN
eurjchem-2045	111	46	.	.	PUNCT
eurjchem-2045	112	1	the	the	DET
eurjchem-2045	112	2	findings	finding	NOUN
eurjchem-2045	112	3	indicate	indicate	VERB
eurjchem-2045	112	4	that	that	SCONJ
eurjchem-2045	112	5	the	the	DET
eurjchem-2045	112	6	catalyst	catalyst	NOUN
eurjchem-2045	112	7	cluster	cluster	NOUN
eurjchem-2045	112	8	used	use	VERB
eurjchem-2045	112	9	in	in	ADP
eurjchem-2045	112	10	this	this	DET
eurjchem-2045	112	11	study	study	NOUN
eurjchem-2045	112	12	to	to	PART
eurjchem-2045	112	13	model	model	VERB
eurjchem-2045	112	14	chromium	chromium	NOUN
eurjchem-2045	112	15	oxide	oxide	NOUN
eurjchem-2045	112	16	fits	fit	VERB
eurjchem-2045	112	17	well	well	ADV
eurjchem-2045	112	18	with	with	ADP
eurjchem-2045	112	19	the	the	DET
eurjchem-2045	112	20	experimental	experimental	ADJ
eurjchem-2045	112	21	results	result	NOUN
eurjchem-2045	112	22	,	,	PUNCT
eurjchem-2045	112	23	suggesting	suggest	VERB
eurjchem-2045	112	24	that	that	SCONJ
eurjchem-2045	112	25	further	further	ADJ
eurjchem-2045	112	26	deductions	deduction	NOUN
eurjchem-2045	112	27	made	make	VERB
eurjchem-2045	112	28	from	from	ADP
eurjchem-2045	112	29	it	it	PRON
eurjchem-2045	112	30	would	would	AUX
eurjchem-2045	112	31	be	be	AUX
eurjchem-2045	112	32	reliable	reliable	ADJ
eurjchem-2045	112	33	.	.	PUNCT
eurjchem-2045	113	1	it	it	PRON
eurjchem-2045	113	2	also	also	ADV
eurjchem-2045	113	3	confirms	confirm	VERB
eurjchem-2045	113	4	that	that	SCONJ
eurjchem-2045	113	5	the	the	DET
eurjchem-2045	113	6	model	model	NOUN
eurjchem-2045	113	7	adapted	adapt	VERB
eurjchem-2045	113	8	from	from	ADP
eurjchem-2045	113	9	brown	brown	PROPN
eurjchem-2045	113	10	et	et	PROPN
eurjchem-2045	113	11	al	al	PROPN
eurjchem-2045	113	12	.	.	PUNCT
eurjchem-2045	114	1	[	[	X
eurjchem-2045	114	2	18	18	NUM
eurjchem-2045	114	3	]	]	PUNCT
eurjchem-2045	114	4	is	be	AUX
eurjchem-2045	114	5	satisfactory	satisfactory	ADJ
eurjchem-2045	114	6	since	since	SCONJ
eurjchem-2045	114	7	it	it	PRON
eurjchem-2045	114	8	oyegoke	oyegoke	VERB
eurjchem-2045	114	9	et	et	PROPN
eurjchem-2045	114	10	al	al	PROPN
eurjchem-2045	114	11	.	.	PUNCT
eurjchem-2045	114	12	/	/	SYM
eurjchem-2045	114	13	european	european	PROPN
eurjchem-2045	114	14	journal	journal	PROPN
eurjchem-2045	114	15	of	of	ADP
eurjchem-2045	114	16	chemistry	chemistry	NOUN
eurjchem-2045	114	17	11	11	NUM
eurjchem-2045	114	18	(	(	PUNCT
eurjchem-2045	114	19	4	4	NUM
eurjchem-2045	114	20	)	)	PUNCT
eurjchem-2045	114	21	(	(	PUNCT
eurjchem-2045	114	22	2020	2020	NUM
eurjchem-2045	114	23	)	)	PUNCT
eurjchem-2045	114	24	342	342	NUM
eurjchem-2045	114	25	-	-	SYM
eurjchem-2045	114	26	350	350	NUM
eurjchem-2045	114	27	345	345	NUM
eurjchem-2045	114	28	2020	2020	NUM
eurjchem-2045	114	29	–	–	PUNCT
eurjchem-2045	114	30	european	european	ADJ
eurjchem-2045	114	31	journal	journal	NOUN
eurjchem-2045	114	32	of	of	ADP
eurjchem-2045	114	33	chemistry	chemistry	NOUN
eurjchem-2045	114	34	–	–	PUNCT
eurjchem-2045	114	35	cc	cc	NOUN
eurjchem-2045	114	36	by	by	ADP
eurjchem-2045	114	37	nc	nc	PROPN
eurjchem-2045	114	38	–	–	PUNCT
eurjchem-2045	114	39	doi	doi	NOUN
eurjchem-2045	114	40	:	:	PUNCT
eurjchem-2045	114	41	10.5155	10.5155	NUM
eurjchem-2045	114	42	/	/	SYM
eurjchem-2045	114	43	eurjchem.11.4.342	eurjchem.11.4.342	NUM
eurjchem-2045	114	44	-	-	PUNCT
eurjchem-2045	114	45	350.2045	350.2045	NUM
eurjchem-2045	114	46	𝐶𝐶3𝐻𝐻8	𝐶𝐶3𝐻𝐻8	NOUN
eurjchem-2045	114	47	+	+	CCONJ
eurjchem-2045	114	48	4𝑋𝑋	4𝑋𝑋	NUM
eurjchem-2045	114	49	  	  	SPACE
eurjchem-2045	114	50	⇌	⇌	PROPN
eurjchem-2045	114	51	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻2𝐶𝐶𝐻𝐻3𝑋𝑋	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻2𝐶𝐶𝐻𝐻3𝑋𝑋	PROPN
eurjchem-2045	114	52	  	  	SPACE
eurjchem-2045	114	53	+	+	CCONJ
eurjchem-2045	114	54	3𝑋𝑋	3𝑋𝑋	NUM
eurjchem-2045	114	55	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻2𝐶𝐶𝐻𝐻3𝑋𝑋	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻2𝐶𝐶𝐻𝐻3𝑋𝑋	NOUN
eurjchem-2045	114	56	  	  	SPACE
eurjchem-2045	114	57	+	+	CCONJ
eurjchem-2045	114	58	3𝑋𝑋	3𝑋𝑋	NUM
eurjchem-2045	114	59	⇌	⇌	NOUN
eurjchem-2045	114	60	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻2𝐶𝐶𝐻𝐻2𝑋𝑋𝐻𝐻	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻2𝐶𝐶𝐻𝐻2𝑋𝑋𝐻𝐻	NOUN
eurjchem-2045	115	1	+	+	CCONJ
eurjchem-2045	115	2	3𝑋𝑋	3𝑋𝑋	NUM
eurjchem-2045	115	3	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻2𝐶𝐶𝐻𝐻2𝑋𝑋𝐻𝐻	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻2𝐶𝐶𝐻𝐻2𝑋𝑋𝐻𝐻	NOUN
eurjchem-2045	115	4	+	+	CCONJ
eurjchem-2045	115	5	3𝑋𝑋	3𝑋𝑋	NUM
eurjchem-2045	115	6	⇌	⇌	NOUN
eurjchem-2045	115	7	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻2𝐶𝐶𝐻𝐻2𝑋𝑋	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻2𝐶𝐶𝐻𝐻2𝑋𝑋	NOUN
eurjchem-2045	115	8	+	+	CCONJ
eurjchem-2045	115	9	𝐻𝐻𝑋𝑋	𝐻𝐻𝑋𝑋	ADJ
eurjchem-2045	115	10	+	+	ADJ
eurjchem-2045	115	11	2𝑋𝑋	2𝑋𝑋	NUM
eurjchem-2045	115	12	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻2𝐶𝐶𝐻𝐻2𝑋𝑋	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻2𝐶𝐶𝐻𝐻2𝑋𝑋	NOUN
eurjchem-2045	115	13	+	+	CCONJ
eurjchem-2045	115	14	𝐻𝐻𝑋𝑋	𝐻𝐻𝑋𝑋	ADJ
eurjchem-2045	115	15	+	+	CCONJ
eurjchem-2045	115	16	2𝑋𝑋	2𝑋𝑋	NUM
eurjchem-2045	115	17	⇌	⇌	NOUN
eurjchem-2045	115	18	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻2𝑋𝑋	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻2𝑋𝑋	VERB
eurjchem-2045	115	19	+	+	X
eurjchem-2045	115	20	2𝐻𝐻𝑋𝑋	2𝐻𝐻𝑋𝑋	NUM
eurjchem-2045	115	21	+	+	NUM
eurjchem-2045	115	22	𝑋𝑋	𝑋𝑋	PROPN
eurjchem-2045	115	23	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻2𝑋𝑋	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻2𝑋𝑋	PUNCT
eurjchem-2045	116	1	+	+	X
eurjchem-2045	117	1	2𝐻𝐻𝑋𝑋	2𝐻𝐻𝑋𝑋	NUM
eurjchem-2045	117	2	+	+	NUM
eurjchem-2045	117	3	𝑋𝑋	𝑋𝑋	PROPN
eurjchem-2045	117	4	⇌	⇌	PROPN
eurjchem-2045	117	5	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻2	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻2	NOUN
eurjchem-2045	117	6	+	+	CCONJ
eurjchem-2045	117	7	2𝐻𝐻𝑋𝑋	2𝐻𝐻𝑋𝑋	NUM
eurjchem-2045	117	8	+	+	NUM
eurjchem-2045	117	9	2𝑋𝑋	2𝑋𝑋	NUM
eurjchem-2045	117	10	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻2	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻2	NOUN
eurjchem-2045	117	11	+	+	CCONJ
eurjchem-2045	117	12	2𝐻𝐻𝑋𝑋	2𝐻𝐻𝑋𝑋	NUM
eurjchem-2045	117	13	+	+	NUM
eurjchem-2045	117	14	2𝑋𝑋	2𝑋𝑋	NUM
eurjchem-2045	117	15	⇌	⇌	NOUN
eurjchem-2045	117	16	𝐻𝐻2	𝐻𝐻2	NOUN
eurjchem-2045	117	17	+	+	NOUN
eurjchem-2045	117	18	𝐶𝐶3𝐻𝐻6	𝐶𝐶3𝐻𝐻6	ADJ
eurjchem-2045	117	19	+	+	CCONJ
eurjchem-2045	117	20	4𝑋𝑋	4𝑋𝑋	NUM
eurjchem-2045	117	21	scheme	scheme	NOUN
eurjchem-2045	117	22	1	1	NUM
eurjchem-2045	117	23	.	.	PUNCT
eurjchem-2045	118	1	the	the	DET
eurjchem-2045	118	2	initial	initial	ADJ
eurjchem-2045	118	3	propane	propane	NOUN
eurjchem-2045	118	4	activated	activate	VERB
eurjchem-2045	118	5	via	via	ADP
eurjchem-2045	118	6	the	the	DET
eurjchem-2045	118	7	use	use	NOUN
eurjchem-2045	118	8	of	of	ADP
eurjchem-2045	118	9	alpha	alpha	NOUN
eurjchem-2045	118	10	-	-	NOUN
eurjchem-2045	118	11	carbon	carbon	NOUN
eurjchem-2045	118	12	(	(	PUNCT
eurjchem-2045	118	13	that	that	PRON
eurjchem-2045	118	14	is	be	AUX
eurjchem-2045	118	15	,	,	PUNCT
eurjchem-2045	118	16	terminal	terminal	ADJ
eurjchem-2045	118	17	or	or	CCONJ
eurjchem-2045	118	18	first	first	ADJ
eurjchem-2045	118	19	carbon	carbon	NOUN
eurjchem-2045	118	20	)	)	PUNCT
eurjchem-2045	118	21	(	(	PUNCT
eurjchem-2045	118	22	s1	s1	NOUN
eurjchem-2045	118	23	)	)	PUNCT
eurjchem-2045	118	24	.	.	PUNCT
eurjchem-2045	119	1	𝐶𝐶3𝐻𝐻8	𝐶𝐶3𝐻𝐻8	NOUN
eurjchem-2045	120	1	+	+	CCONJ
eurjchem-2045	120	2	4𝑋𝑋	4𝑋𝑋	NUM
eurjchem-2045	120	3	  	  	SPACE
eurjchem-2045	120	4	⇌	⇌	PROPN
eurjchem-2045	120	5	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻2𝐶𝐶𝐻𝐻3𝑋𝑋	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻2𝐶𝐶𝐻𝐻3𝑋𝑋	NOUN
eurjchem-2045	120	6	+	+	CCONJ
eurjchem-2045	120	7	3𝑋𝑋	3𝑋𝑋	NUM
eurjchem-2045	120	8	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻2𝐶𝐶𝐻𝐻3𝑋𝑋	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻2𝐶𝐶𝐻𝐻3𝑋𝑋	NOUN
eurjchem-2045	120	9	+	+	CCONJ
eurjchem-2045	120	10	3𝑋𝑋	3𝑋𝑋	NUM
eurjchem-2045	120	11	⇌	⇌	NOUN
eurjchem-2045	120	12	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻3𝑋𝑋𝐻𝐻	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻3𝑋𝑋𝐻𝐻	X
eurjchem-2045	120	13	+	+	CCONJ
eurjchem-2045	120	14	3𝑋𝑋	3𝑋𝑋	ADJ
eurjchem-2045	120	15	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻3𝑋𝑋𝐻𝐻	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻3𝑋𝑋𝐻𝐻	X
eurjchem-2045	120	16	+	+	CCONJ
eurjchem-2045	120	17	3𝑋𝑋	3𝑋𝑋	NUM
eurjchem-2045	120	18	⇌	⇌	PROPN
eurjchem-2045	120	19	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻3𝑋𝑋	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻3𝑋𝑋	NOUN
eurjchem-2045	120	20	+	+	CCONJ
eurjchem-2045	120	21	𝐻𝐻𝑋𝑋	𝐻𝐻𝑋𝑋	ADJ
eurjchem-2045	120	22	+	+	ADJ
eurjchem-2045	120	23	2𝑋𝑋	2𝑋𝑋	NUM
eurjchem-2045	120	24	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻3𝑋𝑋	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻3𝑋𝑋	NOUN
eurjchem-2045	120	25	+	+	CCONJ
eurjchem-2045	120	26	𝐻𝐻𝑋𝑋	𝐻𝐻𝑋𝑋	ADJ
eurjchem-2045	120	27	+	+	CCONJ
eurjchem-2045	120	28	2𝑋𝑋	2𝑋𝑋	NUM
eurjchem-2045	120	29	⇌	⇌	NOUN
eurjchem-2045	120	30	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻2𝑋𝑋	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻2𝑋𝑋	VERB
eurjchem-2045	120	31	+	+	X
eurjchem-2045	120	32	2𝐻𝐻𝑋𝑋	2𝐻𝐻𝑋𝑋	NUM
eurjchem-2045	120	33	+	+	NUM
eurjchem-2045	120	34	𝑋𝑋	𝑋𝑋	PROPN
eurjchem-2045	120	35	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻2𝑋𝑋	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻2𝑋𝑋	PUNCT
eurjchem-2045	121	1	+	+	X
eurjchem-2045	122	1	2𝐻𝐻𝑋𝑋	2𝐻𝐻𝑋𝑋	NUM
eurjchem-2045	122	2	+	+	NUM
eurjchem-2045	122	3	𝑋𝑋	𝑋𝑋	PROPN
eurjchem-2045	122	4	⇌	⇌	PROPN
eurjchem-2045	122	5	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻2	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻2	NOUN
eurjchem-2045	122	6	+	+	CCONJ
eurjchem-2045	122	7	2𝐻𝐻𝑋𝑋	2𝐻𝐻𝑋𝑋	NUM
eurjchem-2045	122	8	+	+	NUM
eurjchem-2045	122	9	2𝑋𝑋	2𝑋𝑋	NUM
eurjchem-2045	122	10	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻2	𝐶𝐶𝐻𝐻3𝐶𝐶𝐻𝐻𝐶𝐶𝐻𝐻2	NOUN
eurjchem-2045	122	11	+	+	CCONJ
eurjchem-2045	122	12	2𝐻𝐻𝑋𝑋	2𝐻𝐻𝑋𝑋	NUM
eurjchem-2045	122	13	+	+	NUM
eurjchem-2045	122	14	2𝑋𝑋	2𝑋𝑋	NUM
eurjchem-2045	122	15	⇌	⇌	NOUN
eurjchem-2045	122	16	𝐻𝐻2	𝐻𝐻2	NOUN
eurjchem-2045	122	17	+	+	NOUN
eurjchem-2045	122	18	𝐶𝐶3𝐻𝐻6	𝐶𝐶3𝐻𝐻6	ADJ
eurjchem-2045	122	19	+	+	CCONJ
eurjchem-2045	122	20	4𝑋𝑋	4𝑋𝑋	NUM
eurjchem-2045	122	21	scheme	scheme	NOUN
eurjchem-2045	122	22	2	2	NUM
eurjchem-2045	122	23	.	.	PUNCT
eurjchem-2045	123	1	the	the	DET
eurjchem-2045	123	2	initial	initial	ADJ
eurjchem-2045	123	3	propane	propane	NOUN
eurjchem-2045	123	4	activated	activate	VERB
eurjchem-2045	123	5	via	via	ADP
eurjchem-2045	123	6	the	the	DET
eurjchem-2045	123	7	use	use	NOUN
eurjchem-2045	123	8	of	of	ADP
eurjchem-2045	123	9	beta	beta	NOUN
eurjchem-2045	123	10	-	-	PUNCT
eurjchem-2045	123	11	carbon	carbon	NOUN
eurjchem-2045	123	12	(	(	PUNCT
eurjchem-2045	123	13	that	that	PRON
eurjchem-2045	123	14	is	be	AUX
eurjchem-2045	123	15	,	,	PUNCT
eurjchem-2045	123	16	middle	middle	ADJ
eurjchem-2045	123	17	or	or	CCONJ
eurjchem-2045	123	18	second	second	ADJ
eurjchem-2045	123	19	carbon	carbon	NOUN
eurjchem-2045	123	20	)	)	PUNCT
eurjchem-2045	123	21	(	(	PUNCT
eurjchem-2045	123	22	s2	s2	PROPN
eurjchem-2045	123	23	)	)	PUNCT
eurjchem-2045	123	24	.	.	PUNCT
eurjchem-2045	124	1	reaction	reaction	NOUN
eurjchem-2045	124	2	steps	step	NOUN
eurjchem-2045	124	3	reaction	reaction	NOUN
eurjchem-2045	124	4	steps	step	NOUN
eurjchem-2045	124	5	figure	figure	VERB
eurjchem-2045	124	6	3	3	NUM
eurjchem-2045	124	7	.	.	PUNCT
eurjchem-2045	124	8	energy	energy	NOUN
eurjchem-2045	124	9	barrier	barrier	NOUN
eurjchem-2045	124	10	(	(	PUNCT
eurjchem-2045	124	11	ea	ea	NOUN
eurjchem-2045	124	12	)	)	PUNCT
eurjchem-2045	124	13	in	in	ADP
eurjchem-2045	124	14	ev	ev	INTJ
eurjchem-2045	124	15	for	for	ADP
eurjchem-2045	124	16	the	the	DET
eurjchem-2045	124	17	surface	surface	NOUN
eurjchem-2045	124	18	reaction	reaction	NOUN
eurjchem-2045	124	19	steps	step	NOUN
eurjchem-2045	124	20	across	across	ADP
eurjchem-2045	124	21	(	(	PUNCT
eurjchem-2045	124	22	a	a	NOUN
eurjchem-2045	124	23	)	)	PUNCT
eurjchem-2045	124	24	cr	cr	PROPN
eurjchem-2045	124	25	-	-	PUNCT
eurjchem-2045	124	26	cr	cr	PROPN
eurjchem-2045	124	27	and	and	CCONJ
eurjchem-2045	124	28	(	(	PUNCT
eurjchem-2045	124	29	b	b	NOUN
eurjchem-2045	124	30	)	)	PUNCT
eurjchem-2045	124	31	cr	cr	NOUN
eurjchem-2045	124	32	-	-	PUNCT
eurjchem-2045	124	33	o	o	NOUN
eurjchem-2045	124	34	paths	path	NOUN
eurjchem-2045	124	35	,	,	PUNCT
eurjchem-2045	124	36	where	where	SCONJ
eurjchem-2045	124	37	‘	'	PUNCT
eurjchem-2045	124	38	ads	ad	NOUN
eurjchem-2045	124	39	,	,	PUNCT
eurjchem-2045	124	40	’	'	PUNCT
eurjchem-2045	124	41	‘	'	PUNCT
eurjchem-2045	124	42	des1	des1	NOUN
eurjchem-2045	124	43	’	'	PUNCT
eurjchem-2045	124	44	,	,	PUNCT
eurjchem-2045	124	45	‘	'	PUNCT
eurjchem-2045	124	46	diff	diff	NOUN
eurjchem-2045	124	47	,	,	PUNCT
eurjchem-2045	124	48	’	'	PUNCT
eurjchem-2045	124	49	and	and	CCONJ
eurjchem-2045	124	50	‘	'	PUNCT
eurjchem-2045	124	51	suf1	suf1	NOUN
eurjchem-2045	124	52	’	'	PUNCT
eurjchem-2045	124	53	stand	stand	VERB
eurjchem-2045	124	54	for	for	ADP
eurjchem-2045	124	55	adsorption	adsorption	NOUN
eurjchem-2045	124	56	,	,	PUNCT
eurjchem-2045	124	57	desorption	desorption	NOUN
eurjchem-2045	124	58	(	(	PUNCT
eurjchem-2045	124	59	similar	similar	ADJ
eurjchem-2045	124	60	to	to	ADP
eurjchem-2045	124	61	‘	'	PUNCT
eurjchem-2045	124	62	des2	des2	NOUN
eurjchem-2045	124	63	’	'	PUNCT
eurjchem-2045	124	64	)	)	PUNCT
eurjchem-2045	124	65	,	,	PUNCT
eurjchem-2045	124	66	hydrogen	hydrogen	NOUN
eurjchem-2045	124	67	diffusion	diffusion	NOUN
eurjchem-2045	124	68	,	,	PUNCT
eurjchem-2045	124	69	and	and	CCONJ
eurjchem-2045	124	70	surface	surface	NOUN
eurjchem-2045	124	71	reaction	reaction	NOUN
eurjchem-2045	124	72	(	(	PUNCT
eurjchem-2045	124	73	similar	similar	ADJ
eurjchem-2045	124	74	for	for	ADP
eurjchem-2045	124	75	‘	'	PUNCT
eurjchem-2045	124	76	suf2	suf2	NOUN
eurjchem-2045	124	77	’	'	PUNCT
eurjchem-2045	124	78	)	)	PUNCT
eurjchem-2045	124	79	,	,	PUNCT
eurjchem-2045	124	80	respectively	respectively	ADV
eurjchem-2045	124	81	.	.	PUNCT
eurjchem-2045	125	1	shows	show	VERB
eurjchem-2045	125	2	a	a	DET
eurjchem-2045	125	3	good	good	ADJ
eurjchem-2045	125	4	agreement	agreement	NOUN
eurjchem-2045	125	5	with	with	ADP
eurjchem-2045	125	6	the	the	DET
eurjchem-2045	125	7	experimental	experimental	ADJ
eurjchem-2045	125	8	values	value	NOUN
eurjchem-2045	125	9	similar	similar	ADJ
eurjchem-2045	125	10	to	to	ADP
eurjchem-2045	125	11	nguyen	nguyen	PROPN
eurjchem-2045	125	12	et	et	PROPN
eurjchem-2045	125	13	al	al	PROPN
eurjchem-2045	125	14	.	.	PUNCT
eurjchem-2045	126	1	[	[	X
eurjchem-2045	126	2	22	22	NUM
eurjchem-2045	126	3	]	]	PUNCT
eurjchem-2045	126	4	report	report	NOUN
eurjchem-2045	126	5	.	.	PUNCT
eurjchem-2045	127	1	3.2	3.2	NUM
eurjchem-2045	127	2	.	.	PUNCT
eurjchem-2045	128	1	energy	energy	NOUN
eurjchem-2045	128	2	barriers	barrier	NOUN
eurjchem-2045	128	3	in	in	ADP
eurjchem-2045	128	4	reaction	reaction	NOUN
eurjchem-2045	128	5	paths	path	NOUN
eurjchem-2045	128	6	and	and	CCONJ
eurjchem-2045	128	7	the	the	DET
eurjchem-2045	128	8	active	active	ADJ
eurjchem-2045	128	9	sites	site	NOUN
eurjchem-2045	128	10	in	in	ADP
eurjchem-2045	128	11	the	the	DET
eurjchem-2045	128	12	elementary	elementary	ADJ
eurjchem-2045	128	13	steps	step	NOUN
eurjchem-2045	128	14	the	the	DET
eurjchem-2045	128	15	result	result	NOUN
eurjchem-2045	128	16	collected	collect	VERB
eurjchem-2045	128	17	for	for	ADP
eurjchem-2045	128	18	this	this	DET
eurjchem-2045	128	19	study	study	NOUN
eurjchem-2045	128	20	is	be	AUX
eurjchem-2045	128	21	diagrammatically	diagrammatically	ADV
eurjchem-2045	128	22	represented	represent	VERB
eurjchem-2045	128	23	in	in	ADP
eurjchem-2045	128	24	figures	figure	NOUN
eurjchem-2045	128	25	3	3	NUM
eurjchem-2045	128	26	and	and	CCONJ
eurjchem-2045	128	27	4	4	NUM
eurjchem-2045	128	28	.	.	PUNCT
eurjchem-2045	129	1	the	the	DET
eurjchem-2045	129	2	figures	figure	NOUN
eurjchem-2045	129	3	display	display	VERB
eurjchem-2045	129	4	results	result	NOUN
eurjchem-2045	129	5	for	for	ADP
eurjchem-2045	129	6	the	the	DET
eurjchem-2045	129	7	cr	cr	PROPN
eurjchem-2045	129	8	-	-	PUNCT
eurjchem-2045	129	9	cr	cr	PROPN
eurjchem-2045	129	10	,	,	PUNCT
eurjchem-2045	129	11	cr	cr	PROPN
eurjchem-2045	129	12	-	-	PUNCT
eurjchem-2045	129	13	o	o	NOUN
eurjchem-2045	129	14	,	,	PUNCT
eurjchem-2045	129	15	o	o	PROPN
eurjchem-2045	129	16	-	-	PUNCT
eurjchem-2045	129	17	cr	cr	NOUN
eurjchem-2045	129	18	,	,	PUNCT
eurjchem-2045	129	19	and	and	CCONJ
eurjchem-2045	129	20	o	o	NOUN
eurjchem-2045	129	21	-	-	NOUN
eurjchem-2045	129	22	o	o	NOUN
eurjchem-2045	129	23	sites	site	NOUN
eurjchem-2045	129	24	.	.	PUNCT
eurjchem-2045	130	1	they	they	PRON
eurjchem-2045	130	2	indicate	indicate	VERB
eurjchem-2045	130	3	the	the	DET
eurjchem-2045	130	4	different	different	ADJ
eurjchem-2045	130	5	energy	energy	NOUN
eurjchem-2045	130	6	barriers	barrier	NOUN
eurjchem-2045	130	7	collected	collect	VERB
eurjchem-2045	130	8	for	for	ADP
eurjchem-2045	130	9	the	the	DET
eurjchem-2045	130	10	different	different	ADJ
eurjchem-2045	130	11	reaction	reaction	NOUN
eurjchem-2045	130	12	steps	step	NOUN
eurjchem-2045	130	13	in	in	ADP
eurjchem-2045	130	14	the	the	DET
eurjchem-2045	130	15	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	130	16	of	of	ADP
eurjchem-2045	130	17	propane	propane	NOUN
eurjchem-2045	130	18	.	.	PUNCT
eurjchem-2045	131	1	the	the	DET
eurjchem-2045	131	2	r	r	NOUN
eurjchem-2045	131	3	-	-	PUNCT
eurjchem-2045	131	4	s1	s1	NOUN
eurjchem-2045	131	5	depicts	depict	VERB
eurjchem-2045	131	6	the	the	DET
eurjchem-2045	131	7	‘	'	PUNCT
eurjchem-2045	131	8	reverse	reverse	ADJ
eurjchem-2045	131	9	reaction	reaction	NOUN
eurjchem-2045	131	10	’	'	PUNCT
eurjchem-2045	131	11	in	in	ADP
eurjchem-2045	131	12	a	a	DET
eurjchem-2045	131	13	form	form	NOUN
eurjchem-2045	131	14	presented	present	VERB
eurjchem-2045	131	15	in	in	ADP
eurjchem-2045	131	16	scheme	scheme	NOUN
eurjchem-2045	131	17	1	1	NUM
eurjchem-2045	131	18	(	(	PUNCT
eurjchem-2045	131	19	that	that	PRON
eurjchem-2045	131	20	is	is	ADV
eurjchem-2045	131	21	,	,	PUNCT
eurjchem-2045	131	22	f	f	PROPN
eurjchem-2045	131	23	represents	represent	VERB
eurjchem-2045	131	24	the	the	DET
eurjchem-2045	131	25	forward	forward	ADJ
eurjchem-2045	131	26	reaction	reaction	NOUN
eurjchem-2045	131	27	,	,	PUNCT
eurjchem-2045	131	28	and	and	CCONJ
eurjchem-2045	131	29	r	r	NOUN
eurjchem-2045	131	30	is	be	AUX
eurjchem-2045	131	31	the	the	DET
eurjchem-2045	131	32	reverse	reverse	NOUN
eurjchem-2045	131	33	)	)	PUNCT
eurjchem-2045	131	34	.	.	PUNCT
eurjchem-2045	132	1	the	the	DET
eurjchem-2045	132	2	six	six	NUM
eurjchem-2045	132	3	elementary	elementary	ADJ
eurjchem-2045	132	4	reaction	reaction	NOUN
eurjchem-2045	132	5	steps	step	NOUN
eurjchem-2045	132	6	involved	involve	VERB
eurjchem-2045	132	7	in	in	ADP
eurjchem-2045	132	8	the	the	DET
eurjchem-2045	132	9	study	study	NOUN
eurjchem-2045	132	10	are	be	AUX
eurjchem-2045	132	11	adsorption	adsorption	NOUN
eurjchem-2045	132	12	,	,	PUNCT
eurjchem-2045	132	13	first	first	ADJ
eurjchem-2045	132	14	abstraction	abstraction	NOUN
eurjchem-2045	132	15	,	,	PUNCT
eurjchem-2045	132	16	diffusion	diffusion	NOUN
eurjchem-2045	132	17	,	,	PUNCT
eurjchem-2045	132	18	other	other	ADJ
eurjchem-2045	132	19	abstraction	abstraction	NOUN
eurjchem-2045	132	20	,	,	PUNCT
eurjchem-2045	132	21	propylene	propylene	NOUN
eurjchem-2045	132	22	desorption	desorption	NOUN
eurjchem-2045	132	23	,	,	PUNCT
eurjchem-2045	132	24	and	and	CCONJ
eurjchem-2045	132	25	hydrogen	hydrogen	NOUN
eurjchem-2045	132	26	desorption	desorption	NOUN
eurjchem-2045	132	27	,	,	PUNCT
eurjchem-2045	132	28	and	and	CCONJ
eurjchem-2045	132	29	they	they	PRON
eurjchem-2045	132	30	are	be	AUX
eurjchem-2045	132	31	represented	represent	VERB
eurjchem-2045	132	32	by	by	ADP
eurjchem-2045	132	33	‘	'	PUNCT
eurjchem-2045	132	34	ads	ad	NOUN
eurjchem-2045	132	35	,	,	PUNCT
eurjchem-2045	132	36	’	'	PUNCT
eurjchem-2045	132	37	‘	'	PUNCT
eurjchem-2045	132	38	suf1	suf1	NOUN
eurjchem-2045	132	39	’	'	PUNCT
eurjchem-2045	132	40	,	,	PUNCT
eurjchem-2045	132	41	‘	'	PUNCT
eurjchem-2045	132	42	diff	diff	NOUN
eurjchem-2045	132	43	,	,	PUNCT
eurjchem-2045	132	44	’	'	PUNCT
eurjchem-2045	132	45	‘	'	PUNCT
eurjchem-2045	132	46	suf2	suf2	PROPN
eurjchem-2045	132	47	’	'	PUNCT
eurjchem-2045	132	48	,	,	PUNCT
eurjchem-2045	132	49	‘	'	PUNCT
eurjchem-2045	132	50	des1	des1	NOUN
eurjchem-2045	132	51	’	'	PUNCT
eurjchem-2045	132	52	and	and	CCONJ
eurjchem-2045	132	53	‘	'	PUNCT
eurjchem-2045	132	54	des2	des2	NOUN
eurjchem-2045	132	55	’	'	PUNCT
eurjchem-2045	132	56	,	,	PUNCT
eurjchem-2045	132	57	respectively	respectively	ADV
eurjchem-2045	132	58	.	.	PUNCT
eurjchem-2045	133	1	figure	figure	NOUN
eurjchem-2045	133	2	3	3	NUM
eurjchem-2045	133	3	shows	show	VERB
eurjchem-2045	133	4	that	that	SCONJ
eurjchem-2045	133	5	all	all	DET
eurjchem-2045	133	6	forward	forward	ADJ
eurjchem-2045	133	7	reactions	reaction	NOUN
eurjchem-2045	133	8	involved	involve	VERB
eurjchem-2045	133	9	in	in	ADP
eurjchem-2045	133	10	the	the	DET
eurjchem-2045	133	11	propane	propane	NOUN
eurjchem-2045	133	12	adsorption	adsorption	NOUN
eurjchem-2045	133	13	,	,	PUNCT
eurjchem-2045	133	14	hydrogen	hydrogen	NOUN
eurjchem-2045	133	15	diffusion	diffusion	NOUN
eurjchem-2045	133	16	,	,	PUNCT
eurjchem-2045	133	17	and	and	CCONJ
eurjchem-2045	133	18	propylene	propylene	NOUN
eurjchem-2045	133	19	desorption	desorption	NOUN
eurjchem-2045	133	20	steps	step	NOUN
eurjchem-2045	133	21	indicate	indicate	VERB
eurjchem-2045	133	22	the	the	DET
eurjchem-2045	133	23	negative	negative	ADJ
eurjchem-2045	133	24	energy	energy	NOUN
eurjchem-2045	133	25	barrier(s	barrier(s	NOUN
eurjchem-2045	133	26	)	)	PUNCT
eurjchem-2045	133	27	.	.	PUNCT
eurjchem-2045	134	1	from	from	ADP
eurjchem-2045	134	2	the	the	DET
eurjchem-2045	134	3	literature	literature	NOUN
eurjchem-2045	134	4	[	[	X
eurjchem-2045	134	5	33,34	33,34	NOUN
eurjchem-2045	134	6	]	]	PUNCT
eurjchem-2045	134	7	,	,	PUNCT
eurjchem-2045	134	8	these	these	DET
eurjchem-2045	134	9	findings	finding	NOUN
eurjchem-2045	134	10	imply	imply	VERB
eurjchem-2045	134	11	that	that	SCONJ
eurjchem-2045	134	12	they	they	PRON
eurjchem-2045	134	13	are	be	AUX
eurjchem-2045	134	14	barrierless	barrierless	NOUN
eurjchem-2045	134	15	steps	step	NOUN
eurjchem-2045	134	16	,	,	PUNCT
eurjchem-2045	134	17	unlike	unlike	ADP
eurjchem-2045	134	18	the	the	DET
eurjchem-2045	134	19	other	other	ADJ
eurjchem-2045	134	20	steps	step	NOUN
eurjchem-2045	134	21	,	,	PUNCT
eurjchem-2045	134	22	such	such	ADJ
eurjchem-2045	134	23	as	as	ADP
eurjchem-2045	134	24	the	the	DET
eurjchem-2045	134	25	hydrogen	hydrogen	NOUN
eurjchem-2045	134	26	abstraction	abstraction	NOUN
eurjchem-2045	134	27	and	and	CCONJ
eurjchem-2045	134	28	hydrogen	hydrogen	NOUN
eurjchem-2045	134	29	desorption	desorption	NOUN
eurjchem-2045	134	30	steps	step	NOUN
eurjchem-2045	134	31	,	,	PUNCT
eurjchem-2045	134	32	which	which	PRON
eurjchem-2045	134	33	show	show	VERB
eurjchem-2045	134	34	positive	positive	ADJ
eurjchem-2045	134	35	activation	activation	NOUN
eurjchem-2045	134	36	energy	energy	NOUN
eurjchem-2045	134	37	(	(	PUNCT
eurjchem-2045	134	38	or	or	CCONJ
eurjchem-2045	134	39	energy	energy	NOUN
eurjchem-2045	134	40	barrier	barrier	NOUN
eurjchem-2045	134	41	)	)	PUNCT
eurjchem-2045	134	42	.	.	PUNCT
eurjchem-2045	135	1	these	these	DET
eurjchem-2045	135	2	findings	finding	NOUN
eurjchem-2045	135	3	are	be	AUX
eurjchem-2045	135	4	similar	similar	ADJ
eurjchem-2045	135	5	to	to	ADP
eurjchem-2045	135	6	the	the	DET
eurjchem-2045	135	7	results	result	NOUN
eurjchem-2045	135	8	presented	present	VERB
eurjchem-2045	135	9	for	for	ADP
eurjchem-2045	135	10	o	o	NOUN
eurjchem-2045	135	11	-	-	NOUN
eurjchem-2045	135	12	cr	cr	PROPN
eurjchem-2045	135	13	and	and	CCONJ
eurjchem-2045	135	14	o	o	PROPN
eurjchem-2045	135	15	-	-	NOUN
eurjchem-2045	135	16	o	o	NOUN
eurjchem-2045	135	17	sites	site	NOUN
eurjchem-2045	135	18	,	,	PUNCT
eurjchem-2045	135	19	as	as	SCONJ
eurjchem-2045	135	20	shown	show	VERB
eurjchem-2045	135	21	in	in	ADP
eurjchem-2045	135	22	figure	figure	NOUN
eurjchem-2045	135	23	4	4	NUM
eurjchem-2045	135	24	.	.	PUNCT
eurjchem-2045	136	1	the	the	DET
eurjchem-2045	136	2	evaluation	evaluation	NOUN
eurjchem-2045	136	3	of	of	ADP
eurjchem-2045	136	4	the	the	DET
eurjchem-2045	136	5	elementary	elementary	ADJ
eurjchem-2045	136	6	steps	step	NOUN
eurjchem-2045	136	7	’	'	PUNCT
eurjchem-2045	136	8	energy	energy	NOUN
eurjchem-2045	136	9	barrier	barrier	NOUN
eurjchem-2045	136	10	involved	involve	VERB
eurjchem-2045	136	11	this	this	DET
eurjchem-2045	136	12	reaction	reaction	NOUN
eurjchem-2045	136	13	network	network	NOUN
eurjchem-2045	136	14	indicates	indicate	VERB
eurjchem-2045	136	15	that	that	SCONJ
eurjchem-2045	136	16	the	the	DET
eurjchem-2045	136	17	first	first	ADJ
eurjchem-2045	136	18	abstraction	abstraction	NOUN
eurjchem-2045	136	19	of	of	ADP
eurjchem-2045	136	20	hydrogen	hydrogen	NOUN
eurjchem-2045	136	21	shows	show	VERB
eurjchem-2045	136	22	a	a	DET
eurjchem-2045	136	23	higher	high	ADJ
eurjchem-2045	136	24	energy	energy	NOUN
eurjchem-2045	136	25	barrier	barrier	NOUN
eurjchem-2045	136	26	.	.	PUNCT
eurjchem-2045	137	1	this	this	DET
eurjchem-2045	137	2	step	step	NOUN
eurjchem-2045	137	3	could	could	AUX
eurjchem-2045	137	4	have	have	AUX
eurjchem-2045	137	5	been	be	AUX
eurjchem-2045	137	6	responsible	responsible	ADJ
eurjchem-2045	137	7	for	for	ADP
eurjchem-2045	137	8	retarding	retard	VERB
eurjchem-2045	137	9	the	the	DET
eurjchem-2045	137	10	reaction	reaction	NOUN
eurjchem-2045	137	11	rate	rate	NOUN
eurjchem-2045	137	12	when	when	SCONJ
eurjchem-2045	137	13	the	the	DET
eurjchem-2045	137	14	entire	entire	ADJ
eurjchem-2045	137	15	reaction	reaction	NOUN
eurjchem-2045	137	16	process	process	NOUN
eurjchem-2045	137	17	’s	’s	PART
eurjchem-2045	137	18	energy	energy	NOUN
eurjchem-2045	137	19	is	be	AUX
eurjchem-2045	137	20	low	low	ADJ
eurjchem-2045	137	21	.	.	PUNCT
eurjchem-2045	138	1	moreover	moreover	ADV
eurjchem-2045	138	2	,	,	PUNCT
eurjchem-2045	138	3	the	the	DET
eurjchem-2045	138	4	high	high	ADJ
eurjchem-2045	138	5	energy	energy	NOUN
eurjchem-2045	138	6	barrier	barrier	NOUN
eurjchem-2045	138	7	observed	observe	VERB
eurjchem-2045	138	8	for	for	ADP
eurjchem-2045	138	9	the	the	DET
eurjchem-2045	138	10	second	second	ADJ
eurjchem-2045	138	11	hydrogen	hydrogen	NOUN
eurjchem-2045	138	12	abstraction	abstraction	NOUN
eurjchem-2045	138	13	’s	’s	PART
eurjchem-2045	138	14	reverse	reverse	ADJ
eurjchem-2045	138	15	reaction	reaction	NOUN
eurjchem-2045	138	16	indicates	indicate	VERB
eurjchem-2045	138	17	that	that	SCONJ
eurjchem-2045	138	18	it	it	PRON
eurjchem-2045	138	19	would	would	AUX
eurjchem-2045	138	20	be	be	AUX
eurjchem-2045	138	21	difficult	difficult	ADJ
eurjchem-2045	138	22	for	for	SCONJ
eurjchem-2045	138	23	the	the	DET
eurjchem-2045	138	24	step	step	NOUN
eurjchem-2045	138	25	to	to	PART
eurjchem-2045	138	26	be	be	AUX
eurjchem-2045	138	27	reversed	reverse	VERB
eurjchem-2045	138	28	due	due	ADP
eurjchem-2045	138	29	to	to	ADP
eurjchem-2045	138	30	the	the	DET
eurjchem-2045	138	31	high	high	ADJ
eurjchem-2045	138	32	energy	energy	NOUN
eurjchem-2045	138	33	barrier	barrier	NOUN
eurjchem-2045	138	34	required	require	VERB
eurjchem-2045	138	35	to	to	PART
eurjchem-2045	138	36	have	have	VERB
eurjchem-2045	138	37	the	the	DET
eurjchem-2045	138	38	step	step	NOUN
eurjchem-2045	138	39	reversed	reverse	VERB
eurjchem-2045	138	40	.	.	PUNCT
eurjchem-2045	139	1	the	the	DET
eurjchem-2045	139	2	findings	finding	NOUN
eurjchem-2045	139	3	in	in	ADP
eurjchem-2045	139	4	figures	figure	NOUN
eurjchem-2045	139	5	3	3	NUM
eurjchem-2045	139	6	and	and	CCONJ
eurjchem-2045	139	7	4	4	NUM
eurjchem-2045	139	8	were	be	AUX
eurjchem-2045	139	9	found	find	VERB
eurjchem-2045	139	10	to	to	PART
eurjchem-2045	139	11	be	be	AUX
eurjchem-2045	139	12	the	the	DET
eurjchem-2045	139	13	same	same	ADJ
eurjchem-2045	139	14	for	for	ADP
eurjchem-2045	139	15	the	the	DET
eurjchem-2045	139	16	evaluation	evaluation	NOUN
eurjchem-2045	139	17	carried	carry	VERB
eurjchem-2045	139	18	out	out	ADP
eurjchem-2045	139	19	across	across	ADP
eurjchem-2045	139	20	the	the	DET
eurjchem-2045	139	21	cr	cr	PROPN
eurjchem-2045	139	22	-	-	PUNCT
eurjchem-2045	139	23	cr	cr	PROPN
eurjchem-2045	139	24	,	,	PUNCT
eurjchem-2045	139	25	cr	cr	PROPN
eurjchem-2045	139	26	-	-	PUNCT
eurjchem-2045	139	27	o	o	NOUN
eurjchem-2045	139	28	,	,	PUNCT
eurjchem-2045	139	29	o	o	PROPN
eurjchem-2045	139	30	-	-	PUNCT
eurjchem-2045	139	31	cr	cr	NOUN
eurjchem-2045	139	32	,	,	PUNCT
eurjchem-2045	139	33	and	and	CCONJ
eurjchem-2045	139	34	o	o	NOUN
eurjchem-2045	139	35	-	-	NOUN
eurjchem-2045	139	36	o	o	NOUN
eurjchem-2045	139	37	sites	site	NOUN
eurjchem-2045	139	38	for	for	ADP
eurjchem-2045	139	39	the	the	DET
eurjchem-2045	139	40	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	139	41	of	of	ADP
eurjchem-2045	139	42	propane	propane	NOUN
eurjchem-2045	139	43	across	across	ADP
eurjchem-2045	139	44	the	the	DET
eurjchem-2045	139	45	chromium	chromium	NOUN
eurjchem-2045	139	46	oxide	oxide	NOUN
eurjchem-2045	139	47	.	.	PUNCT
eurjchem-2045	140	1	the	the	DET
eurjchem-2045	140	2	energy	energy	NOUN
eurjchem-2045	140	3	barrier	barrier	NOUN
eurjchem-2045	140	4	for	for	ADP
eurjchem-2045	140	5	the	the	DET
eurjchem-2045	140	6	abstraction	abstraction	NOUN
eurjchem-2045	140	7	of	of	ADP
eurjchem-2045	140	8	the	the	DET
eurjchem-2045	140	9	first	first	ADJ
eurjchem-2045	140	10	hydrogen	hydrogen	NOUN
eurjchem-2045	140	11	from	from	ADP
eurjchem-2045	140	12	the	the	DET
eurjchem-2045	140	13	propane	propane	NOUN
eurjchem-2045	140	14	was	be	AUX
eurjchem-2045	140	15	in	in	ADP
eurjchem-2045	140	16	the	the	DET
eurjchem-2045	140	17	trend	trend	NOUN
eurjchem-2045	140	18	:	:	PUNCT
eurjchem-2045	140	19	oo	oo	NOUN
eurjchem-2045	140	20	-	-	PUNCT
eurjchem-2045	140	21	s1	s1	NOUN
eurjchem-2045	140	22	(	(	PUNCT
eurjchem-2045	140	23	0.86	0.86	NUM
eurjchem-2045	140	24	ev	ev	NOUN
eurjchem-2045	140	25	)	)	PUNCT
eurjchem-2045	140	26	>	>	X
eurjchem-2045	140	27	ocr	ocr	PROPN
eurjchem-2045	140	28	-	-	PUNCT
eurjchem-2045	140	29	s1	s1	NOUN
eurjchem-2045	140	30	(	(	PUNCT
eurjchem-2045	140	31	0.86	0.86	NUM
eurjchem-2045	140	32	ev	ev	NOUN
eurjchem-2045	140	33	)	)	PUNCT
eurjchem-2045	140	34	>	>	X
eurjchem-2045	140	35	crcr	crcr	ADV
eurjchem-2045	140	36	-	-	PUNCT
eurjchem-2045	140	37	s1	s1	NOUN
eurjchem-2045	140	38	(	(	PUNCT
eurjchem-2045	140	39	0.63	0.63	NUM
eurjchem-2045	140	40	ev	ev	NOUN
eurjchem-2045	140	41	)	)	PUNCT
eurjchem-2045	140	42	>	>	X
eurjchem-2045	140	43	cro	cro	PROPN
eurjchem-2045	140	44	-	-	PROPN
eurjchem-2045	140	45	s1	s1	PROPN
eurjchem-2045	140	46	(	(	PUNCT
eurjchem-2045	140	47	0.54	0.54	NUM
eurjchem-2045	140	48	ev	ev	NOUN
eurjchem-2045	140	49	)	)	PUNCT
eurjchem-2045	140	50	and	and	CCONJ
eurjchem-2045	140	51	cro	cro	NOUN
eurjchem-2045	140	52	-	-	NOUN
eurjchem-2045	140	53	s2	s2	PROPN
eurjchem-2045	140	54	(	(	PUNCT
eurjchem-2045	140	55	0.72	0.72	NUM
eurjchem-2045	140	56	ev	ev	NOUN
eurjchem-2045	140	57	)	)	PUNCT
eurjchem-2045	140	58	>	>	X
eurjchem-2045	140	59	crcr	crcr	ADV
eurjchem-2045	140	60	-	-	PUNCT
eurjchem-2045	140	61	s2	s2	NOUN
eurjchem-2045	140	62	(	(	PUNCT
eurjchem-2045	140	63	0.70	0.70	NUM
eurjchem-2045	140	64	ev	ev	NOUN
eurjchem-2045	140	65	)	)	PUNCT
eurjchem-2045	140	66	>	>	X
eurjchem-2045	140	67	ocr	ocr	PROPN
eurjchem-2045	140	68	-	-	PUNCT
eurjchem-2045	140	69	s2	s2	PROPN
eurjchem-2045	140	70	(	(	PUNCT
eurjchem-2045	140	71	0.70	0.70	NUM
eurjchem-2045	140	72	ev	ev	NOUN
eurjchem-2045	140	73	)	)	PUNCT
eurjchem-2045	140	74	>	>	PUNCT
eurjchem-2045	141	1	oo	oo	PROPN
eurjchem-2045	141	2	-	-	NOUN
eurjchem-2045	141	3	s2	s2	NOUN
eurjchem-2045	141	4	(	(	PUNCT
eurjchem-2045	141	5	0.69	0.69	NUM
eurjchem-2045	141	6	ev	ev	NOUN
eurjchem-2045	141	7	)	)	PUNCT
eurjchem-2045	141	8	in	in	ADP
eurjchem-2045	141	9	the	the	DET
eurjchem-2045	141	10	reaction	reaction	NOUN
eurjchem-2045	141	11	route	route	NOUN
eurjchem-2045	141	12	of	of	ADP
eurjchem-2045	141	13	scheme	scheme	NOUN
eurjchem-2045	141	14	1	1	NUM
eurjchem-2045	141	15	and	and	CCONJ
eurjchem-2045	141	16	2	2	NUM
eurjchem-2045	141	17	,	,	PUNCT
eurjchem-2045	141	18	respectively	respectively	ADV
eurjchem-2045	141	19	.	.	PUNCT
eurjchem-2045	142	1	-1.5	-1.5	X
eurjchem-2045	142	2	-1.0	-1.0	PROPN
eurjchem-2045	142	3	-0.5	-0.5	PROPN
eurjchem-2045	142	4	0.0	0.0	NUM
eurjchem-2045	142	5	0.5	0.5	NUM
eurjchem-2045	142	6	1.0	1.0	NUM
eurjchem-2045	142	7	1.5	1.5	NUM
eurjchem-2045	142	8	2.0	2.0	NUM
eurjchem-2045	142	9	2.5	2.5	NUM
eurjchem-2045	142	10	3.0	3.0	NUM
eurjchem-2045	142	11	3.5	3.5	NUM
eurjchem-2045	142	12	ads	ad	NOUN
eurjchem-2045	142	13	suf1	suf1	PROPN
eurjchem-2045	142	14	diff	diff	PROPN
eurjchem-2045	142	15	suf2	suf2	PROPN
eurjchem-2045	142	16	des1	des1	PROPN
eurjchem-2045	142	17	des2	des2	PROPN
eurjchem-2045	142	18	cr	cr	PROPN
eurjchem-2045	142	19	-	-	PUNCT
eurjchem-2045	142	20	cr	cr	PROPN
eurjchem-2045	142	21	r	r	PROPN
eurjchem-2045	142	22	-	-	NOUN
eurjchem-2045	142	23	s2	s2	ADJ
eurjchem-2045	142	24	f	f	NOUN
eurjchem-2045	142	25	-	-	NOUN
eurjchem-2045	142	26	s2	s2	VERB
eurjchem-2045	142	27	r	r	NOUN
eurjchem-2045	142	28	-	-	PUNCT
eurjchem-2045	142	29	s1	s1	NOUN
eurjchem-2045	142	30	f	f	PROPN
eurjchem-2045	142	31	-	-	PUNCT
eurjchem-2045	142	32	s1	s1	NOUN
eurjchem-2045	142	33	-1.5	-1.5	PUNCT
eurjchem-2045	142	34	-1.0	-1.0	PROPN
eurjchem-2045	142	35	-0.5	-0.5	PROPN
eurjchem-2045	142	36	0.0	0.0	NUM
eurjchem-2045	142	37	0.5	0.5	NUM
eurjchem-2045	142	38	1.0	1.0	NUM
eurjchem-2045	142	39	1.5	1.5	NUM
eurjchem-2045	142	40	2.0	2.0	NUM
eurjchem-2045	142	41	2.5	2.5	NUM
eurjchem-2045	142	42	ads	ad	NOUN
eurjchem-2045	142	43	suf1	suf1	PROPN
eurjchem-2045	142	44	diff	diff	PROPN
eurjchem-2045	142	45	suf2	suf2	PROPN
eurjchem-2045	142	46	des1	des1	PROPN
eurjchem-2045	142	47	des2	des2	PROPN
eurjchem-2045	142	48	cr	cr	PROPN
eurjchem-2045	142	49	-	-	PUNCT
eurjchem-2045	142	50	o	o	NOUN
eurjchem-2045	142	51	r	r	NOUN
eurjchem-2045	142	52	-	-	NOUN
eurjchem-2045	142	53	s2	s2	ADJ
eurjchem-2045	142	54	f	f	NOUN
eurjchem-2045	142	55	-	-	NOUN
eurjchem-2045	142	56	s2	s2	VERB
eurjchem-2045	142	57	r	r	NOUN
eurjchem-2045	142	58	-	-	PUNCT
eurjchem-2045	142	59	s1	s1	NOUN
eurjchem-2045	142	60	f	f	PROPN
eurjchem-2045	142	61	-	-	PUNCT
eurjchem-2045	142	62	s1	s1	PROPN
eurjchem-2045	142	63	346	346	NUM
eurjchem-2045	142	64	oyegoke	oyegoke	NOUN
eurjchem-2045	142	65	et	et	PROPN
eurjchem-2045	142	66	al	al	PROPN
eurjchem-2045	142	67	.	.	PUNCT
eurjchem-2045	142	68	/	/	SYM
eurjchem-2045	142	69	european	european	PROPN
eurjchem-2045	142	70	journal	journal	PROPN
eurjchem-2045	142	71	of	of	ADP
eurjchem-2045	142	72	chemistry	chemistry	NOUN
eurjchem-2045	142	73	11	11	NUM
eurjchem-2045	142	74	(	(	PUNCT
eurjchem-2045	142	75	4	4	NUM
eurjchem-2045	142	76	)	)	PUNCT
eurjchem-2045	142	77	(	(	PUNCT
eurjchem-2045	142	78	2020	2020	NUM
eurjchem-2045	142	79	)	)	PUNCT
eurjchem-2045	142	80	342	342	NUM
eurjchem-2045	142	81	-	-	SYM
eurjchem-2045	142	82	350	350	NUM
eurjchem-2045	142	83	2020	2020	NUM
eurjchem-2045	142	84	–	–	PUNCT
eurjchem-2045	142	85	european	european	ADJ
eurjchem-2045	142	86	journal	journal	NOUN
eurjchem-2045	142	87	of	of	ADP
eurjchem-2045	142	88	chemistry	chemistry	NOUN
eurjchem-2045	142	89	–	–	PUNCT
eurjchem-2045	142	90	cc	cc	NOUN
eurjchem-2045	142	91	by	by	ADP
eurjchem-2045	142	92	nc	nc	PROPN
eurjchem-2045	142	93	–	–	PUNCT
eurjchem-2045	142	94	doi	doi	NOUN
eurjchem-2045	142	95	:	:	PUNCT
eurjchem-2045	142	96	10.5155	10.5155	NUM
eurjchem-2045	142	97	/	/	SYM
eurjchem-2045	142	98	eurjchem.11.4.342	eurjchem.11.4.342	NUM
eurjchem-2045	142	99	-	-	PUNCT
eurjchem-2045	142	100	350.2045	350.2045	NUM
eurjchem-2045	142	101	reaction	reaction	NOUN
eurjchem-2045	142	102	steps	step	NOUN
eurjchem-2045	142	103	reaction	reaction	NOUN
eurjchem-2045	142	104	steps	step	NOUN
eurjchem-2045	142	105	figure	figure	VERB
eurjchem-2045	142	106	4	4	NUM
eurjchem-2045	142	107	.	.	PUNCT
eurjchem-2045	142	108	energy	energy	NOUN
eurjchem-2045	142	109	barriers	barrier	NOUN
eurjchem-2045	142	110	(	(	PUNCT
eurjchem-2045	142	111	ea	ea	X
eurjchem-2045	142	112	)	)	PUNCT
eurjchem-2045	142	113	in	in	ADP
eurjchem-2045	142	114	ev	ev	INTJ
eurjchem-2045	142	115	for	for	ADP
eurjchem-2045	142	116	the	the	DET
eurjchem-2045	142	117	surface	surface	NOUN
eurjchem-2045	142	118	reaction	reaction	NOUN
eurjchem-2045	142	119	steps	step	NOUN
eurjchem-2045	142	120	across	across	ADP
eurjchem-2045	142	121	(	(	PUNCT
eurjchem-2045	142	122	a	a	NOUN
eurjchem-2045	142	123	)	)	PUNCT
eurjchem-2045	142	124	o	o	NOUN
eurjchem-2045	142	125	-	-	PUNCT
eurjchem-2045	142	126	cr	cr	PROPN
eurjchem-2045	142	127	and	and	CCONJ
eurjchem-2045	142	128	(	(	PUNCT
eurjchem-2045	142	129	b	b	NOUN
eurjchem-2045	142	130	)	)	PUNCT
eurjchem-2045	142	131	o	o	NOUN
eurjchem-2045	142	132	-	-	NOUN
eurjchem-2045	142	133	o	o	NOUN
eurjchem-2045	142	134	paths	path	NOUN
eurjchem-2045	142	135	,	,	PUNCT
eurjchem-2045	142	136	where	where	SCONJ
eurjchem-2045	142	137	‘	'	PUNCT
eurjchem-2045	142	138	ads	ad	NOUN
eurjchem-2045	142	139	,	,	PUNCT
eurjchem-2045	142	140	’	'	PUNCT
eurjchem-2045	142	141	‘	'	PUNCT
eurjchem-2045	142	142	des1	des1	NOUN
eurjchem-2045	142	143	’	'	PUNCT
eurjchem-2045	142	144	,	,	PUNCT
eurjchem-2045	142	145	‘	'	PUNCT
eurjchem-2045	142	146	diff	diff	NOUN
eurjchem-2045	142	147	,	,	PUNCT
eurjchem-2045	142	148	’	'	PUNCT
eurjchem-2045	142	149	and	and	CCONJ
eurjchem-2045	142	150	‘	'	PUNCT
eurjchem-2045	142	151	suf1	suf1	NOUN
eurjchem-2045	142	152	’	'	PUNCT
eurjchem-2045	142	153	stand	stand	VERB
eurjchem-2045	142	154	for	for	ADP
eurjchem-2045	142	155	adsorption	adsorption	NOUN
eurjchem-2045	142	156	,	,	PUNCT
eurjchem-2045	142	157	desorption	desorption	NOUN
eurjchem-2045	142	158	(	(	PUNCT
eurjchem-2045	142	159	similar	similar	ADJ
eurjchem-2045	142	160	to	to	ADP
eurjchem-2045	142	161	‘	'	PUNCT
eurjchem-2045	142	162	des2	des2	NOUN
eurjchem-2045	142	163	’	'	PUNCT
eurjchem-2045	142	164	)	)	PUNCT
eurjchem-2045	142	165	,	,	PUNCT
eurjchem-2045	142	166	hydrogen	hydrogen	NOUN
eurjchem-2045	142	167	diffusion	diffusion	NOUN
eurjchem-2045	142	168	,	,	PUNCT
eurjchem-2045	142	169	and	and	CCONJ
eurjchem-2045	142	170	surface	surface	NOUN
eurjchem-2045	142	171	reaction	reaction	NOUN
eurjchem-2045	142	172	(	(	PUNCT
eurjchem-2045	142	173	similar	similar	ADJ
eurjchem-2045	142	174	for	for	ADP
eurjchem-2045	142	175	‘	'	PUNCT
eurjchem-2045	142	176	suf2	suf2	NOUN
eurjchem-2045	142	177	’	'	PUNCT
eurjchem-2045	142	178	)	)	PUNCT
eurjchem-2045	142	179	,	,	PUNCT
eurjchem-2045	142	180	respectively	respectively	ADV
eurjchem-2045	142	181	.	.	PUNCT
eurjchem-2045	143	1	reaction	reaction	NOUN
eurjchem-2045	143	2	steps	step	NOUN
eurjchem-2045	143	3	reaction	reaction	NOUN
eurjchem-2045	143	4	steps	step	NOUN
eurjchem-2045	143	5	figure	figure	VERB
eurjchem-2045	143	6	5	5	NUM
eurjchem-2045	143	7	.	.	PUNCT
eurjchem-2045	143	8	reaction	reaction	NOUN
eurjchem-2045	143	9	energy	energy	NOUN
eurjchem-2045	143	10	(	(	PUNCT
eurjchem-2045	143	11	δg	δg	NOUN
eurjchem-2045	143	12	)	)	PUNCT
eurjchem-2045	143	13	in	in	ADP
eurjchem-2045	143	14	ev	ev	INTJ
eurjchem-2045	143	15	for	for	ADP
eurjchem-2045	143	16	the	the	DET
eurjchem-2045	143	17	reaction	reaction	NOUN
eurjchem-2045	143	18	path	path	NOUN
eurjchem-2045	143	19	across	across	ADP
eurjchem-2045	143	20	(	(	PUNCT
eurjchem-2045	143	21	a	a	NOUN
eurjchem-2045	143	22	)	)	PUNCT
eurjchem-2045	143	23	cr	cr	PROPN
eurjchem-2045	143	24	-	-	PUNCT
eurjchem-2045	143	25	cr	cr	PROPN
eurjchem-2045	143	26	and	and	CCONJ
eurjchem-2045	143	27	(	(	PUNCT
eurjchem-2045	143	28	b	b	NOUN
eurjchem-2045	143	29	)	)	PUNCT
eurjchem-2045	143	30	cr	cr	NOUN
eurjchem-2045	143	31	-	-	PUNCT
eurjchem-2045	143	32	o	o	NOUN
eurjchem-2045	143	33	sites	site	NOUN
eurjchem-2045	143	34	,	,	PUNCT
eurjchem-2045	143	35	where	where	SCONJ
eurjchem-2045	143	36	‘	'	PUNCT
eurjchem-2045	143	37	ads	ad	NOUN
eurjchem-2045	143	38	,	,	PUNCT
eurjchem-2045	143	39	’	'	PUNCT
eurjchem-2045	143	40	‘	'	PUNCT
eurjchem-2045	143	41	des1	des1	NOUN
eurjchem-2045	143	42	’	'	PUNCT
eurjchem-2045	143	43	,	,	PUNCT
eurjchem-2045	143	44	‘	'	PUNCT
eurjchem-2045	143	45	diff	diff	NOUN
eurjchem-2045	143	46	,	,	PUNCT
eurjchem-2045	143	47	’	'	PUNCT
eurjchem-2045	143	48	and	and	CCONJ
eurjchem-2045	143	49	‘	'	PUNCT
eurjchem-2045	143	50	suf1	suf1	NOUN
eurjchem-2045	143	51	’	'	PUNCT
eurjchem-2045	143	52	stand	stand	VERB
eurjchem-2045	143	53	for	for	ADP
eurjchem-2045	143	54	adsorption	adsorption	NOUN
eurjchem-2045	143	55	,	,	PUNCT
eurjchem-2045	143	56	desorption	desorption	NOUN
eurjchem-2045	143	57	(	(	PUNCT
eurjchem-2045	143	58	similar	similar	ADJ
eurjchem-2045	143	59	to	to	ADP
eurjchem-2045	143	60	‘	'	PUNCT
eurjchem-2045	143	61	des2	des2	NOUN
eurjchem-2045	143	62	’	'	PUNCT
eurjchem-2045	143	63	)	)	PUNCT
eurjchem-2045	143	64	,	,	PUNCT
eurjchem-2045	143	65	hydrogen	hydrogen	NOUN
eurjchem-2045	143	66	diffusion	diffusion	NOUN
eurjchem-2045	143	67	,	,	PUNCT
eurjchem-2045	143	68	and	and	CCONJ
eurjchem-2045	143	69	surface	surface	NOUN
eurjchem-2045	143	70	reaction	reaction	NOUN
eurjchem-2045	143	71	(	(	PUNCT
eurjchem-2045	143	72	similar	similar	ADJ
eurjchem-2045	143	73	for	for	ADP
eurjchem-2045	143	74	‘	'	PUNCT
eurjchem-2045	143	75	suf2	suf2	NOUN
eurjchem-2045	143	76	’	'	PUNCT
eurjchem-2045	143	77	)	)	PUNCT
eurjchem-2045	143	78	,	,	PUNCT
eurjchem-2045	143	79	respectively	respectively	ADV
eurjchem-2045	143	80	.	.	PUNCT
eurjchem-2045	144	1	reaction	reaction	NOUN
eurjchem-2045	144	2	steps	step	NOUN
eurjchem-2045	144	3	reaction	reaction	NOUN
eurjchem-2045	144	4	steps	step	NOUN
eurjchem-2045	144	5	figure	figure	VERB
eurjchem-2045	144	6	6	6	NUM
eurjchem-2045	144	7	.	.	PUNCT
eurjchem-2045	145	1	reaction	reaction	NOUN
eurjchem-2045	145	2	energy	energy	NOUN
eurjchem-2045	145	3	(	(	PUNCT
eurjchem-2045	145	4	δg	δg	NOUN
eurjchem-2045	145	5	)	)	PUNCT
eurjchem-2045	145	6	in	in	ADP
eurjchem-2045	145	7	ev	ev	INTJ
eurjchem-2045	145	8	for	for	ADP
eurjchem-2045	145	9	the	the	DET
eurjchem-2045	145	10	reaction	reaction	NOUN
eurjchem-2045	145	11	path	path	NOUN
eurjchem-2045	145	12	across	across	ADP
eurjchem-2045	145	13	(	(	PUNCT
eurjchem-2045	145	14	a	a	NOUN
eurjchem-2045	145	15	)	)	PUNCT
eurjchem-2045	145	16	o	o	NOUN
eurjchem-2045	145	17	-	-	PUNCT
eurjchem-2045	145	18	cr	cr	PROPN
eurjchem-2045	145	19	and	and	CCONJ
eurjchem-2045	145	20	(	(	PUNCT
eurjchem-2045	145	21	b	b	NOUN
eurjchem-2045	145	22	)	)	PUNCT
eurjchem-2045	145	23	o	o	NOUN
eurjchem-2045	145	24	-	-	NOUN
eurjchem-2045	145	25	o	o	NOUN
eurjchem-2045	145	26	sites	site	NOUN
eurjchem-2045	145	27	,	,	PUNCT
eurjchem-2045	145	28	where	where	SCONJ
eurjchem-2045	145	29	‘	'	PUNCT
eurjchem-2045	145	30	ads	ad	NOUN
eurjchem-2045	145	31	,	,	PUNCT
eurjchem-2045	145	32	’	'	PUNCT
eurjchem-2045	145	33	‘	'	PUNCT
eurjchem-2045	145	34	des1	des1	NOUN
eurjchem-2045	145	35	’	'	PUNCT
eurjchem-2045	145	36	,	,	PUNCT
eurjchem-2045	145	37	‘	'	PUNCT
eurjchem-2045	145	38	diff	diff	NOUN
eurjchem-2045	145	39	,	,	PUNCT
eurjchem-2045	145	40	’	'	PUNCT
eurjchem-2045	145	41	and	and	CCONJ
eurjchem-2045	145	42	‘	'	PUNCT
eurjchem-2045	145	43	suf1	suf1	NOUN
eurjchem-2045	145	44	’	'	PUNCT
eurjchem-2045	145	45	stand	stand	VERB
eurjchem-2045	145	46	for	for	ADP
eurjchem-2045	145	47	adsorption	adsorption	NOUN
eurjchem-2045	145	48	,	,	PUNCT
eurjchem-2045	145	49	desorption	desorption	NOUN
eurjchem-2045	145	50	(	(	PUNCT
eurjchem-2045	145	51	similar	similar	ADJ
eurjchem-2045	145	52	to	to	ADP
eurjchem-2045	145	53	‘	'	PUNCT
eurjchem-2045	145	54	des2	des2	NOUN
eurjchem-2045	145	55	’	'	PUNCT
eurjchem-2045	145	56	)	)	PUNCT
eurjchem-2045	145	57	,	,	PUNCT
eurjchem-2045	145	58	hydrogen	hydrogen	NOUN
eurjchem-2045	145	59	diffusion	diffusion	NOUN
eurjchem-2045	145	60	,	,	PUNCT
eurjchem-2045	145	61	and	and	CCONJ
eurjchem-2045	145	62	surface	surface	NOUN
eurjchem-2045	145	63	reaction	reaction	NOUN
eurjchem-2045	145	64	(	(	PUNCT
eurjchem-2045	145	65	similar	similar	ADJ
eurjchem-2045	145	66	for	for	ADP
eurjchem-2045	145	67	‘	'	PUNCT
eurjchem-2045	145	68	suf2	suf2	NOUN
eurjchem-2045	145	69	’	'	PUNCT
eurjchem-2045	145	70	)	)	PUNCT
eurjchem-2045	145	71	,	,	PUNCT
eurjchem-2045	145	72	respectively	respectively	ADV
eurjchem-2045	145	73	.	.	PUNCT
eurjchem-2045	146	1	oo	oo	NOUN
eurjchem-2045	146	2	-	-	PUNCT
eurjchem-2045	146	3	s1	s1	NOUN
eurjchem-2045	146	4	(	(	PUNCT
eurjchem-2045	146	5	0.86	0.86	NUM
eurjchem-2045	146	6	ev	ev	NOUN
eurjchem-2045	146	7	)	)	PUNCT
eurjchem-2045	146	8	and	and	CCONJ
eurjchem-2045	146	9	ocr	ocr	PROPN
eurjchem-2045	146	10	-	-	PUNCT
eurjchem-2045	146	11	s1	s1	NOUN
eurjchem-2045	146	12	(	(	PUNCT
eurjchem-2045	146	13	0.86	0.86	NUM
eurjchem-2045	146	14	ev	ev	NOUN
eurjchem-2045	146	15	)	)	PUNCT
eurjchem-2045	146	16	show	show	VERB
eurjchem-2045	146	17	the	the	DET
eurjchem-2045	146	18	highest	high	ADJ
eurjchem-2045	146	19	activation	activation	NOUN
eurjchem-2045	146	20	energy	energy	NOUN
eurjchem-2045	146	21	for	for	ADP
eurjchem-2045	146	22	the	the	DET
eurjchem-2045	146	23	progression	progression	NOUN
eurjchem-2045	146	24	of	of	ADP
eurjchem-2045	146	25	the	the	DET
eurjchem-2045	146	26	reaction	reaction	NOUN
eurjchem-2045	146	27	at	at	ADP
eurjchem-2045	146	28	the	the	DET
eurjchem-2045	146	29	first	first	ADJ
eurjchem-2045	146	30	hydrogen	hydrogen	NOUN
eurjchem-2045	146	31	abstraction	abstraction	NOUN
eurjchem-2045	146	32	step	step	NOUN
eurjchem-2045	146	33	.	.	PUNCT
eurjchem-2045	147	1	in	in	ADP
eurjchem-2045	147	2	comparison	comparison	NOUN
eurjchem-2045	147	3	,	,	PUNCT
eurjchem-2045	147	4	cro	cro	NOUN
eurjchem-2045	147	5	-	-	NOUN
eurjchem-2045	147	6	s1	s1	NOUN
eurjchem-2045	147	7	(	(	PUNCT
eurjchem-2045	147	8	0.54	0.54	NUM
eurjchem-2045	147	9	ev	ev	PRON
eurjchem-2045	147	10	)	)	PUNCT
eurjchem-2045	147	11	was	be	AUX
eurjchem-2045	147	12	identified	identify	VERB
eurjchem-2045	147	13	to	to	PART
eurjchem-2045	147	14	have	have	AUX
eurjchem-2045	147	15	shown	show	VERB
eurjchem-2045	147	16	the	the	DET
eurjchem-2045	147	17	least	least	ADJ
eurjchem-2045	147	18	energy	energy	NOUN
eurjchem-2045	147	19	barrier	barrier	NOUN
eurjchem-2045	147	20	.	.	PUNCT
eurjchem-2045	148	1	the	the	DET
eurjchem-2045	148	2	energy	energy	NOUN
eurjchem-2045	148	3	barrier	barrier	NOUN
eurjchem-2045	148	4	for	for	ADP
eurjchem-2045	148	5	the	the	DET
eurjchem-2045	148	6	abstraction	abstraction	NOUN
eurjchem-2045	148	7	of	of	ADP
eurjchem-2045	148	8	the	the	DET
eurjchem-2045	148	9	second	second	ADJ
eurjchem-2045	148	10	hydrogen	hydrogen	NOUN
eurjchem-2045	148	11	from	from	ADP
eurjchem-2045	148	12	the	the	DET
eurjchem-2045	148	13	adsorbed	adsorb	VERB
eurjchem-2045	148	14	isopropyl	isopropyl	NOUN
eurjchem-2045	148	15	was	be	AUX
eurjchem-2045	148	16	in	in	ADP
eurjchem-2045	148	17	the	the	DET
eurjchem-2045	148	18	trend	trend	NOUN
eurjchem-2045	148	19	:	:	PUNCT
eurjchem-2045	148	20	crcrs1	crcrs1	NOUN
eurjchem-2045	148	21	(	(	PUNCT
eurjchem-2045	148	22	0.37	0.37	NUM
eurjchem-2045	148	23	ev	ev	NOUN
eurjchem-2045	148	24	)	)	PUNCT
eurjchem-2045	148	25	>	>	X
eurjchem-2045	148	26	ocr	ocr	PROPN
eurjchem-2045	148	27	-	-	PUNCT
eurjchem-2045	148	28	s1	s1	NOUN
eurjchem-2045	148	29	(	(	PUNCT
eurjchem-2045	148	30	0.34	0.34	NUM
eurjchem-2045	148	31	ev	ev	NOUN
eurjchem-2045	148	32	)	)	PUNCT
eurjchem-2045	148	33	>	>	PUNCT
eurjchem-2045	148	34	oo	oo	PROPN
eurjchem-2045	148	35	-	-	PUNCT
eurjchem-2045	148	36	s1	s1	NOUN
eurjchem-2045	148	37	(	(	PUNCT
eurjchem-2045	148	38	0.11	0.11	NUM
eurjchem-2045	148	39	ev	ev	NOUN
eurjchem-2045	148	40	)	)	PUNCT
eurjchem-2045	148	41	>	>	X
eurjchem-2045	148	42	cro	cro	PROPN
eurjchem-2045	148	43	-	-	PROPN
eurjchem-2045	148	44	s1	s1	PROPN
eurjchem-2045	148	45	(	(	PUNCT
eurjchem-2045	148	46	0.09	0.09	NUM
eurjchem-2045	148	47	ev	ev	NOUN
eurjchem-2045	148	48	)	)	PUNCT
eurjchem-2045	148	49	and	and	CCONJ
eurjchem-2045	148	50	cro	cro	NOUN
eurjchem-2045	148	51	-	-	NOUN
eurjchem-2045	148	52	s2	s2	PROPN
eurjchem-2045	148	53	(	(	PUNCT
eurjchem-2045	148	54	0.48	0.48	NUM
eurjchem-2045	148	55	ev	ev	NOUN
eurjchem-2045	148	56	)	)	PUNCT
eurjchem-2045	148	57	>	>	X
eurjchem-2045	148	58	crcr	crcr	ADV
eurjchem-2045	148	59	-	-	PUNCT
eurjchem-2045	148	60	s2	s2	NOUN
eurjchem-2045	148	61	(	(	PUNCT
eurjchem-2045	148	62	0.42	0.42	NUM
eurjchem-2045	148	63	ev	ev	NOUN
eurjchem-2045	148	64	)	)	PUNCT
eurjchem-2045	148	65	>	>	PUNCT
eurjchem-2045	149	1	oo	oo	PROPN
eurjchem-2045	149	2	-	-	NOUN
eurjchem-2045	149	3	s2	s2	NOUN
eurjchem-2045	149	4	(	(	PUNCT
eurjchem-2045	149	5	0.28	0.28	NUM
eurjchem-2045	149	6	ev	ev	NOUN
eurjchem-2045	149	7	)	)	PUNCT
eurjchem-2045	149	8	>	>	X
eurjchem-2045	149	9	ocr	ocr	PROPN
eurjchem-2045	149	10	-	-	PUNCT
eurjchem-2045	149	11	s2	s2	PROPN
eurjchem-2045	149	12	(	(	PUNCT
eurjchem-2045	149	13	0.26	0.26	NUM
eurjchem-2045	149	14	ev	ev	NOUN
eurjchem-2045	149	15	)	)	PUNCT
eurjchem-2045	149	16	in	in	ADP
eurjchem-2045	149	17	the	the	DET
eurjchem-2045	149	18	reaction	reaction	NOUN
eurjchem-2045	149	19	route	route	NOUN
eurjchem-2045	149	20	of	of	ADP
eurjchem-2045	149	21	scheme	scheme	NOUN
eurjchem-2045	149	22	1	1	NUM
eurjchem-2045	149	23	and	and	CCONJ
eurjchem-2045	149	24	2	2	NUM
eurjchem-2045	149	25	,	,	PUNCT
eurjchem-2045	149	26	respectively	respectively	ADV
eurjchem-2045	149	27	.	.	PUNCT
eurjchem-2045	150	1	similarly	similarly	ADV
eurjchem-2045	150	2	,	,	PUNCT
eurjchem-2045	150	3	cro	cro	NOUN
eurjchem-2045	150	4	-	-	NOUN
eurjchem-2045	150	5	s2	s2	PROPN
eurjchem-2045	150	6	(	(	PUNCT
eurjchem-2045	150	7	0.48	0.48	NUM
eurjchem-2045	150	8	ev	ev	NOUN
eurjchem-2045	150	9	)	)	PUNCT
eurjchem-2045	150	10	and	and	CCONJ
eurjchem-2045	150	11	crcr	crcr	ADV
eurjchem-2045	150	12	-	-	PUNCT
eurjchem-2045	150	13	s2	s2	NOUN
eurjchem-2045	150	14	(	(	PUNCT
eurjchem-2045	150	15	0.42	0.42	NUM
eurjchem-2045	150	16	ev	ev	NOUN
eurjchem-2045	150	17	)	)	PUNCT
eurjchem-2045	150	18	show	show	VERB
eurjchem-2045	150	19	the	the	DET
eurjchem-2045	150	20	highest	high	ADJ
eurjchem-2045	150	21	energy	energy	NOUN
eurjchem-2045	150	22	barrier	barrier	NOUN
eurjchem-2045	150	23	.	.	PUNCT
eurjchem-2045	151	1	in	in	ADP
eurjchem-2045	151	2	comparison	comparison	NOUN
eurjchem-2045	151	3	,	,	PUNCT
eurjchem-2045	151	4	cros1	cros1	PROPN
eurjchem-2045	151	5	(	(	PUNCT
eurjchem-2045	151	6	0.09	0.09	NUM
eurjchem-2045	151	7	ev	ev	PRON
eurjchem-2045	151	8	)	)	PUNCT
eurjchem-2045	151	9	was	be	AUX
eurjchem-2045	151	10	identified	identify	VERB
eurjchem-2045	151	11	to	to	PART
eurjchem-2045	151	12	have	have	AUX
eurjchem-2045	151	13	shown	show	VERB
eurjchem-2045	151	14	the	the	DET
eurjchem-2045	151	15	least	least	ADJ
eurjchem-2045	151	16	energy	energy	NOUN
eurjchem-2045	151	17	barrier	barrier	NOUN
eurjchem-2045	151	18	for	for	ADP
eurjchem-2045	151	19	the	the	DET
eurjchem-2045	151	20	reaction	reaction	NOUN
eurjchem-2045	151	21	’s	’s	PART
eurjchem-2045	151	22	progression	progression	NOUN
eurjchem-2045	151	23	at	at	ADP
eurjchem-2045	151	24	the	the	DET
eurjchem-2045	151	25	second	second	ADJ
eurjchem-2045	151	26	hydrogen	hydrogen	NOUN
eurjchem-2045	151	27	abstraction	abstraction	NOUN
eurjchem-2045	151	28	step	step	NOUN
eurjchem-2045	151	29	.	.	PUNCT
eurjchem-2045	152	1	this	this	DET
eurjchem-2045	152	2	finding	finding	NOUN
eurjchem-2045	152	3	implies	imply	VERB
eurjchem-2045	152	4	that	that	SCONJ
eurjchem-2045	152	5	the	the	DET
eurjchem-2045	152	6	cr	cr	PROPN
eurjchem-2045	152	7	-	-	PUNCT
eurjchem-2045	152	8	o	o	NOUN
eurjchem-2045	152	9	sites	site	NOUN
eurjchem-2045	152	10	along	along	ADP
eurjchem-2045	152	11	the	the	DET
eurjchem-2045	152	12	scheme	scheme	NOUN
eurjchem-2045	152	13	1	1	NUM
eurjchem-2045	152	14	route	route	NOUN
eurjchem-2045	152	15	tend	tend	VERB
eurjchem-2045	152	16	to	to	PART
eurjchem-2045	152	17	reflect	reflect	VERB
eurjchem-2045	152	18	a	a	DET
eurjchem-2045	152	19	lower	low	ADJ
eurjchem-2045	152	20	energy	energy	NOUN
eurjchem-2045	152	21	barrier	barrier	NOUN
eurjchem-2045	152	22	in	in	ADP
eurjchem-2045	152	23	its	its	PRON
eurjchem-2045	152	24	routes	route	NOUN
eurjchem-2045	152	25	.	.	PUNCT
eurjchem-2045	153	1	this	this	DET
eurjchem-2045	153	2	study	study	NOUN
eurjchem-2045	153	3	shows	show	VERB
eurjchem-2045	153	4	that	that	SCONJ
eurjchem-2045	153	5	the	the	DET
eurjchem-2045	153	6	active	active	ADJ
eurjchem-2045	153	7	sites	site	NOUN
eurjchem-2045	153	8	have	have	VERB
eurjchem-2045	153	9	a	a	DET
eurjchem-2045	153	10	significant	significant	ADJ
eurjchem-2045	153	11	influence	influence	NOUN
eurjchem-2045	153	12	on	on	ADP
eurjchem-2045	153	13	the	the	DET
eurjchem-2045	153	14	level	level	NOUN
eurjchem-2045	153	15	of	of	ADP
eurjchem-2045	153	16	the	the	DET
eurjchem-2045	153	17	energy	energy	NOUN
eurjchem-2045	153	18	barrier	barrier	NOUN
eurjchem-2045	153	19	.	.	PUNCT
eurjchem-2045	154	1	it	it	PRON
eurjchem-2045	154	2	also	also	ADV
eurjchem-2045	154	3	shows	show	VERB
eurjchem-2045	154	4	that	that	SCONJ
eurjchem-2045	154	5	the	the	DET
eurjchem-2045	154	6	propyl	propyl	NOUN
eurjchem-2045	154	7	was	be	AUX
eurjchem-2045	154	8	adsorbed	adsorb	VERB
eurjchem-2045	154	9	on	on	ADP
eurjchem-2045	154	10	the	the	DET
eurjchem-2045	154	11	cr	cr	PROPN
eurjchem-2045	154	12	site	site	NOUN
eurjchem-2045	154	13	,	,	PUNCT
eurjchem-2045	154	14	while	while	SCONJ
eurjchem-2045	154	15	the	the	DET
eurjchem-2045	154	16	h	h	NOUN
eurjchem-2045	154	17	on	on	ADP
eurjchem-2045	154	18	the	the	DET
eurjchem-2045	154	19	o	o	NOUN
eurjchem-2045	154	20	site	site	NOUN
eurjchem-2045	154	21	indicates	indicate	VERB
eurjchem-2045	154	22	that	that	SCONJ
eurjchem-2045	154	23	the	the	DET
eurjchem-2045	154	24	cr	cr	PROPN
eurjchem-2045	154	25	site	site	NOUN
eurjchem-2045	154	26	remains	remain	VERB
eurjchem-2045	154	27	an	an	DET
eurjchem-2045	154	28	active	active	ADJ
eurjchem-2045	154	29	component	component	NOUN
eurjchem-2045	154	30	of	of	ADP
eurjchem-2045	154	31	the	the	DET
eurjchem-2045	154	32	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	154	33	reaction	reaction	NOUN
eurjchem-2045	154	34	,	,	PUNCT
eurjchem-2045	154	35	as	as	SCONJ
eurjchem-2045	154	36	suggested	suggest	VERB
eurjchem-2045	154	37	in	in	ADP
eurjchem-2045	154	38	the	the	DET
eurjchem-2045	154	39	literature	literature	NOUN
eurjchem-2045	154	40	[	[	X
eurjchem-2045	154	41	35	35	NUM
eurjchem-2045	154	42	]	]	PUNCT
eurjchem-2045	154	43	.	.	PUNCT
eurjchem-2045	155	1	these	these	DET
eurjchem-2045	155	2	findings	finding	NOUN
eurjchem-2045	155	3	agree	agree	VERB
eurjchem-2045	155	4	with	with	ADP
eurjchem-2045	155	5	the	the	DET
eurjchem-2045	155	6	report	report	NOUN
eurjchem-2045	155	7	of	of	ADP
eurjchem-2045	155	8	yau	yau	PROPN
eurjchem-2045	155	9	et	et	PROPN
eurjchem-2045	155	10	al	al	PROPN
eurjchem-2045	155	11	.	.	PUNCT
eurjchem-2045	156	1	[	[	X
eurjchem-2045	156	2	5	5	NUM
eurjchem-2045	156	3	]	]	PUNCT
eurjchem-2045	156	4	,	,	PUNCT
eurjchem-2045	156	5	which	which	PRON
eurjchem-2045	156	6	indicates	indicate	VERB
eurjchem-2045	156	7	that	that	SCONJ
eurjchem-2045	156	8	the	the	DET
eurjchem-2045	156	9	metallic	metallic	ADJ
eurjchem-2045	156	10	site	site	NOUN
eurjchem-2045	156	11	plays	play	VERB
eurjchem-2045	156	12	a	a	DET
eurjchem-2045	156	13	key	key	ADJ
eurjchem-2045	156	14	role	role	NOUN
eurjchem-2045	156	15	in	in	ADP
eurjchem-2045	156	16	getting	get	VERB
eurjchem-2045	156	17	propane	propane	NOUN
eurjchem-2045	156	18	dehydrogenated	dehydrogenate	VERB
eurjchem-2045	156	19	on	on	ADP
eurjchem-2045	156	20	the	the	DET
eurjchem-2045	156	21	metallic	metallic	ADJ
eurjchem-2045	156	22	oxide	oxide	NOUN
eurjchem-2045	156	23	.	.	PUNCT
eurjchem-2045	157	1	similarly	similarly	ADV
eurjchem-2045	157	2	,	,	PUNCT
eurjchem-2045	157	3	the	the	DET
eurjchem-2045	157	4	findings	finding	NOUN
eurjchem-2045	157	5	agreed	agree	VERB
eurjchem-2045	157	6	with	with	ADP
eurjchem-2045	157	7	the	the	DET
eurjchem-2045	157	8	report	report	NOUN
eurjchem-2045	157	9	of	of	ADP
eurjchem-2045	157	10	oyegoke	oyegoke	NOUN
eurjchem-2045	157	11	et	et	PROPN
eurjchem-2045	157	12	al	al	PROPN
eurjchem-2045	157	13	.	.	PUNCT
eurjchem-2045	158	1	[	[	X
eurjchem-2045	158	2	10	10	NUM
eurjchem-2045	158	3	]	]	PUNCT
eurjchem-2045	158	4	on	on	ADP
eurjchem-2045	158	5	the	the	DET
eurjchem-2045	158	6	chromium	chromium	NOUN
eurjchem-2045	158	7	oxide	oxide	NOUN
eurjchem-2045	158	8	sites	site	NOUN
eurjchem-2045	158	9	’	'	PUNCT
eurjchem-2045	158	10	acidity	acidity	NOUN
eurjchem-2045	158	11	reactivity	reactivity	NOUN
eurjchem-2045	158	12	,	,	PUNCT
eurjchem-2045	158	13	where	where	SCONJ
eurjchem-2045	158	14	cr	cr	PROPN
eurjchem-2045	158	15	site	site	NOUN
eurjchem-2045	158	16	was	be	AUX
eurjchem-2045	158	17	confirmed	confirm	VERB
eurjchem-2045	158	18	to	to	PART
eurjchem-2045	158	19	be	be	AUX
eurjchem-2045	158	20	the	the	DET
eurjchem-2045	158	21	most	most	ADV
eurjchem-2045	158	22	active	active	ADJ
eurjchem-2045	158	23	site	site	NOUN
eurjchem-2045	158	24	on	on	ADP
eurjchem-2045	158	25	a	a	DET
eurjchem-2045	158	26	chromium	chromium	NOUN
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eurjchem-2045	158	29	-1.0	-1.0	PROPN
eurjchem-2045	158	30	-0.5	-0.5	PROPN
eurjchem-2045	158	31	0.0	0.0	NUM
eurjchem-2045	158	32	0.5	0.5	NUM
eurjchem-2045	158	33	1.0	1.0	NUM
eurjchem-2045	158	34	1.5	1.5	NUM
eurjchem-2045	158	35	2.0	2.0	NUM
eurjchem-2045	158	36	2.5	2.5	NUM
eurjchem-2045	158	37	3.0	3.0	NUM
eurjchem-2045	158	38	ads	ad	NOUN
eurjchem-2045	158	39	suf1	suf1	PROPN
eurjchem-2045	158	40	diff	diff	PROPN
eurjchem-2045	158	41	suf2	suf2	PROPN
eurjchem-2045	158	42	des1	des1	PROPN
eurjchem-2045	158	43	des2	des2	PROPN
eurjchem-2045	158	44	o	o	PROPN
eurjchem-2045	158	45	-	-	NOUN
eurjchem-2045	158	46	cr	cr	ADP
eurjchem-2045	158	47	r	r	NOUN
eurjchem-2045	158	48	-	-	NOUN
eurjchem-2045	158	49	s2	s2	ADJ
eurjchem-2045	158	50	f	f	NOUN
eurjchem-2045	158	51	-	-	NOUN
eurjchem-2045	158	52	s2	s2	VERB
eurjchem-2045	158	53	r	r	NOUN
eurjchem-2045	158	54	-	-	PUNCT
eurjchem-2045	158	55	s1	s1	NOUN
eurjchem-2045	158	56	f	f	PROPN
eurjchem-2045	158	57	-	-	PUNCT
eurjchem-2045	158	58	s1	s1	NOUN
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eurjchem-2045	158	60	-1.0	-1.0	PROPN
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eurjchem-2045	158	62	0.0	0.0	NUM
eurjchem-2045	158	63	0.5	0.5	NUM
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eurjchem-2045	158	65	1.5	1.5	NUM
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eurjchem-2045	158	72	suf2	suf2	PROPN
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eurjchem-2045	158	74	des2	des2	PROPN
eurjchem-2045	159	1	o	o	PROPN
eurjchem-2045	159	2	-	-	NOUN
eurjchem-2045	159	3	o	o	ADJ
eurjchem-2045	159	4	r	r	NOUN
eurjchem-2045	159	5	-	-	NOUN
eurjchem-2045	159	6	s2	s2	ADJ
eurjchem-2045	159	7	f	f	NOUN
eurjchem-2045	159	8	-	-	NOUN
eurjchem-2045	159	9	s2	s2	VERB
eurjchem-2045	159	10	r	r	NOUN
eurjchem-2045	159	11	-	-	PUNCT
eurjchem-2045	159	12	s1	s1	NOUN
eurjchem-2045	159	13	f	f	PROPN
eurjchem-2045	159	14	-	-	PUNCT
eurjchem-2045	159	15	s1	s1	NOUN
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eurjchem-2045	159	18	-0.5	-0.5	PROPN
eurjchem-2045	159	19	0.0	0.0	NUM
eurjchem-2045	159	20	0.5	0.5	NUM
eurjchem-2045	159	21	1.0	1.0	NUM
eurjchem-2045	159	22	1.5	1.5	NUM
eurjchem-2045	159	23	ads	ad	NOUN
eurjchem-2045	159	24	suf1	suf1	PROPN
eurjchem-2045	159	25	diff	diff	PROPN
eurjchem-2045	159	26	suf2	suf2	PROPN
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eurjchem-2045	159	28	des2	des2	PROPN
eurjchem-2045	159	29	cr	cr	PROPN
eurjchem-2045	159	30	-	-	PUNCT
eurjchem-2045	159	31	cr	cr	PROPN
eurjchem-2045	159	32	f	f	PROPN
eurjchem-2045	159	33	-	-	PUNCT
eurjchem-2045	159	34	s1	s1	NOUN
eurjchem-2045	159	35	r	r	NOUN
eurjchem-2045	159	36	-	-	PUNCT
eurjchem-2045	159	37	s1	s1	NOUN
eurjchem-2045	159	38	f	f	PROPN
eurjchem-2045	159	39	-	-	PUNCT
eurjchem-2045	159	40	s2	s2	VERB
eurjchem-2045	159	41	r	r	NOUN
eurjchem-2045	159	42	-	-	PUNCT
eurjchem-2045	159	43	s2	s2	NOUN
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eurjchem-2045	159	45	-1.0	-1.0	PROPN
eurjchem-2045	159	46	-0.5	-0.5	PROPN
eurjchem-2045	159	47	0.0	0.0	NUM
eurjchem-2045	159	48	0.5	0.5	NUM
eurjchem-2045	159	49	1.0	1.0	NUM
eurjchem-2045	159	50	1.5	1.5	NUM
eurjchem-2045	159	51	ads	ad	NOUN
eurjchem-2045	159	52	suf1	suf1	PROPN
eurjchem-2045	159	53	diff	diff	PROPN
eurjchem-2045	159	54	suf2	suf2	PROPN
eurjchem-2045	159	55	des1	des1	PROPN
eurjchem-2045	159	56	des2	des2	PROPN
eurjchem-2045	159	57	cr	cr	PROPN
eurjchem-2045	159	58	-	-	PUNCT
eurjchem-2045	159	59	o	o	NOUN
eurjchem-2045	159	60	f	f	X
eurjchem-2045	159	61	-	-	PUNCT
eurjchem-2045	159	62	s1	s1	NOUN
eurjchem-2045	159	63	r	r	NOUN
eurjchem-2045	159	64	-	-	PUNCT
eurjchem-2045	159	65	s1	s1	NOUN
eurjchem-2045	159	66	f	f	PROPN
eurjchem-2045	159	67	-	-	PUNCT
eurjchem-2045	159	68	s2	s2	VERB
eurjchem-2045	159	69	r	r	NOUN
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eurjchem-2045	159	71	s2	s2	NOUN
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eurjchem-2045	159	73	-1.0	-1.0	PROPN
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eurjchem-2045	159	75	0.0	0.0	NUM
eurjchem-2045	159	76	0.5	0.5	NUM
eurjchem-2045	159	77	1.0	1.0	NUM
eurjchem-2045	159	78	1.5	1.5	NUM
eurjchem-2045	159	79	ads	ad	NOUN
eurjchem-2045	159	80	suf1	suf1	PROPN
eurjchem-2045	159	81	diff	diff	PROPN
eurjchem-2045	159	82	suf2	suf2	PROPN
eurjchem-2045	159	83	des1	des1	PROPN
eurjchem-2045	159	84	des2	des2	PROPN
eurjchem-2045	159	85	o	o	PROPN
eurjchem-2045	159	86	-	-	PROPN
eurjchem-2045	159	87	cr	cr	PROPN
eurjchem-2045	159	88	f	f	PROPN
eurjchem-2045	159	89	-	-	PUNCT
eurjchem-2045	159	90	s1	s1	NOUN
eurjchem-2045	159	91	r	r	NOUN
eurjchem-2045	159	92	-	-	PUNCT
eurjchem-2045	159	93	s1	s1	NOUN
eurjchem-2045	159	94	f	f	PROPN
eurjchem-2045	159	95	-	-	PUNCT
eurjchem-2045	159	96	s2	s2	VERB
eurjchem-2045	159	97	r	r	NOUN
eurjchem-2045	159	98	-	-	PUNCT
eurjchem-2045	159	99	s2	s2	NOUN
eurjchem-2045	159	100	-1.5	-1.5	PUNCT
eurjchem-2045	159	101	-1.0	-1.0	PROPN
eurjchem-2045	159	102	-0.5	-0.5	PROPN
eurjchem-2045	159	103	0.0	0.0	NUM
eurjchem-2045	159	104	0.5	0.5	NUM
eurjchem-2045	159	105	1.0	1.0	NUM
eurjchem-2045	159	106	1.5	1.5	NUM
eurjchem-2045	159	107	ads	ad	NOUN
eurjchem-2045	159	108	suf1	suf1	PROPN
eurjchem-2045	159	109	diff	diff	PROPN
eurjchem-2045	159	110	suf2	suf2	PROPN
eurjchem-2045	159	111	des1	des1	PROPN
eurjchem-2045	159	112	des2	des2	PROPN
eurjchem-2045	159	113	o	o	PROPN
eurjchem-2045	159	114	-	-	PROPN
eurjchem-2045	159	115	o	o	ADJ
eurjchem-2045	159	116	f	f	X
eurjchem-2045	159	117	-	-	PUNCT
eurjchem-2045	159	118	s1	s1	NOUN
eurjchem-2045	159	119	r	r	NOUN
eurjchem-2045	159	120	-	-	PUNCT
eurjchem-2045	159	121	s1	s1	NOUN
eurjchem-2045	159	122	f	f	PROPN
eurjchem-2045	159	123	-	-	PUNCT
eurjchem-2045	159	124	s2	s2	VERB
eurjchem-2045	159	125	r	r	NOUN
eurjchem-2045	159	126	-	-	PUNCT
eurjchem-2045	159	127	s2	s2	NOUN
eurjchem-2045	159	128	oyegoke	oyegoke	NOUN
eurjchem-2045	159	129	et	et	PROPN
eurjchem-2045	159	130	al	al	PROPN
eurjchem-2045	159	131	.	.	PUNCT
eurjchem-2045	159	132	/	/	SYM
eurjchem-2045	159	133	european	european	PROPN
eurjchem-2045	159	134	journal	journal	PROPN
eurjchem-2045	159	135	of	of	ADP
eurjchem-2045	159	136	chemistry	chemistry	NOUN
eurjchem-2045	159	137	11	11	NUM
eurjchem-2045	159	138	(	(	PUNCT
eurjchem-2045	159	139	4	4	NUM
eurjchem-2045	159	140	)	)	PUNCT
eurjchem-2045	159	141	(	(	PUNCT
eurjchem-2045	159	142	2020	2020	NUM
eurjchem-2045	159	143	)	)	PUNCT
eurjchem-2045	159	144	342	342	NUM
eurjchem-2045	159	145	-	-	SYM
eurjchem-2045	159	146	350	350	NUM
eurjchem-2045	159	147	347	347	NUM
eurjchem-2045	159	148	2020	2020	NUM
eurjchem-2045	159	149	–	–	PUNCT
eurjchem-2045	159	150	european	european	ADJ
eurjchem-2045	159	151	journal	journal	NOUN
eurjchem-2045	159	152	of	of	ADP
eurjchem-2045	159	153	chemistry	chemistry	NOUN
eurjchem-2045	159	154	–	–	PUNCT
eurjchem-2045	159	155	cc	cc	NOUN
eurjchem-2045	159	156	by	by	ADP
eurjchem-2045	159	157	nc	nc	PROPN
eurjchem-2045	159	158	–	–	PUNCT
eurjchem-2045	159	159	doi	doi	NOUN
eurjchem-2045	159	160	:	:	PUNCT
eurjchem-2045	159	161	10.5155	10.5155	NUM
eurjchem-2045	159	162	/	/	SYM
eurjchem-2045	159	163	eurjchem.11.4.342	eurjchem.11.4.342	NUM
eurjchem-2045	159	164	-	-	PUNCT
eurjchem-2045	159	165	350.2045	350.2045	NUM
eurjchem-2045	159	166	figure	figure	NOUN
eurjchem-2045	159	167	7	7	NUM
eurjchem-2045	159	168	.	.	PUNCT
eurjchem-2045	159	169	propane	propane	NOUN
eurjchem-2045	159	170	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	159	171	reaction	reaction	NOUN
eurjchem-2045	159	172	path	path	NOUN
eurjchem-2045	159	173	across	across	ADP
eurjchem-2045	159	174	cr	cr	PROPN
eurjchem-2045	159	175	-	-	PUNCT
eurjchem-2045	159	176	cr	cr	PROPN
eurjchem-2045	159	177	and	and	CCONJ
eurjchem-2045	159	178	cr	cr	PROPN
eurjchem-2045	159	179	-	-	PUNCT
eurjchem-2045	159	180	o	o	NOUN
eurjchem-2045	159	181	pair	pair	NOUN
eurjchem-2045	159	182	sites	site	NOUN
eurjchem-2045	159	183	using	use	VERB
eurjchem-2045	159	184	the	the	DET
eurjchem-2045	159	185	reaction	reaction	NOUN
eurjchem-2045	159	186	schemes	scheme	NOUN
eurjchem-2045	159	187	1	1	NUM
eurjchem-2045	159	188	(	(	PUNCT
eurjchem-2045	159	189	lhs	lhs	PROPN
eurjchem-2045	159	190	)	)	PUNCT
eurjchem-2045	159	191	and	and	CCONJ
eurjchem-2045	159	192	2	2	NUM
eurjchem-2045	159	193	(	(	PUNCT
eurjchem-2045	159	194	rhs	rhs	PROPN
eurjchem-2045	159	195	)	)	PUNCT
eurjchem-2045	159	196	(	(	PUNCT
eurjchem-2045	159	197	all	all	PRON
eurjchem-2045	159	198	in	in	ADP
eurjchem-2045	159	199	ev	ev	NOUN
eurjchem-2045	159	200	)	)	PUNCT
eurjchem-2045	159	201	,	,	PUNCT
eurjchem-2045	159	202	where	where	SCONJ
eurjchem-2045	159	203	lhs	lhs	PROPN
eurjchem-2045	159	204	is	be	AUX
eurjchem-2045	159	205	the	the	DET
eurjchem-2045	159	206	left	left	ADJ
eurjchem-2045	159	207	-	-	PUNCT
eurjchem-2045	159	208	hand	hand	NOUN
eurjchem-2045	159	209	side	side	NOUN
eurjchem-2045	159	210	,	,	PUNCT
eurjchem-2045	159	211	rhs	rhs	PROPN
eurjchem-2045	159	212	is	be	AUX
eurjchem-2045	159	213	the	the	DET
eurjchem-2045	159	214	right	right	ADJ
eurjchem-2045	159	215	-	-	PUNCT
eurjchem-2045	159	216	hand	hand	NOUN
eurjchem-2045	159	217	side	side	NOUN
eurjchem-2045	159	218	.	.	PUNCT
eurjchem-2045	160	1	figure	figure	NOUN
eurjchem-2045	160	2	8	8	NUM
eurjchem-2045	160	3	.	.	PUNCT
eurjchem-2045	161	1	propane	propane	NOUN
eurjchem-2045	161	2	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	161	3	reaction	reaction	NOUN
eurjchem-2045	161	4	path	path	NOUN
eurjchem-2045	161	5	across	across	ADP
eurjchem-2045	161	6	o	o	PROPN
eurjchem-2045	161	7	-	-	PUNCT
eurjchem-2045	161	8	cr	cr	NOUN
eurjchem-2045	161	9	and	and	CCONJ
eurjchem-2045	161	10	o	o	PROPN
eurjchem-2045	161	11	-	-	PROPN
eurjchem-2045	161	12	o	o	NOUN
eurjchem-2045	161	13	pair	pair	NOUN
eurjchem-2045	161	14	sites	site	NOUN
eurjchem-2045	161	15	using	use	VERB
eurjchem-2045	161	16	the	the	DET
eurjchem-2045	161	17	reaction	reaction	NOUN
eurjchem-2045	161	18	schemes	scheme	NOUN
eurjchem-2045	161	19	1	1	NUM
eurjchem-2045	161	20	(	(	PUNCT
eurjchem-2045	161	21	lhs	lhs	PROPN
eurjchem-2045	161	22	)	)	PUNCT
eurjchem-2045	161	23	and	and	CCONJ
eurjchem-2045	161	24	2	2	NUM
eurjchem-2045	161	25	(	(	PUNCT
eurjchem-2045	161	26	rhs	rhs	PROPN
eurjchem-2045	161	27	)	)	PUNCT
eurjchem-2045	161	28	(	(	PUNCT
eurjchem-2045	161	29	all	all	PRON
eurjchem-2045	161	30	in	in	ADP
eurjchem-2045	161	31	ev	ev	ADP
eurjchem-2045	161	32	)	)	PUNCT
eurjchem-2045	161	33	.	.	PUNCT
eurjchem-2045	162	1	catalyst	catalyst	NOUN
eurjchem-2045	162	2	.	.	PUNCT
eurjchem-2045	163	1	however	however	ADV
eurjchem-2045	163	2	,	,	PUNCT
eurjchem-2045	163	3	an	an	DET
eurjchem-2045	163	4	excess	excess	ADJ
eurjchem-2045	163	5	concentration	concentration	NOUN
eurjchem-2045	163	6	of	of	ADP
eurjchem-2045	163	7	these	these	DET
eurjchem-2045	163	8	cr	cr	PROPN
eurjchem-2045	163	9	sites	site	NOUN
eurjchem-2045	163	10	would	would	AUX
eurjchem-2045	163	11	tend	tend	VERB
eurjchem-2045	163	12	to	to	PART
eurjchem-2045	163	13	promote	promote	VERB
eurjchem-2045	163	14	the	the	DET
eurjchem-2045	163	15	cracking	cracking	NOUN
eurjchem-2045	163	16	of	of	ADP
eurjchem-2045	163	17	the	the	DET
eurjchem-2045	163	18	propane	propane	NOUN
eurjchem-2045	163	19	into	into	ADP
eurjchem-2045	163	20	undesired	undesired	ADJ
eurjchem-2045	163	21	products	product	NOUN
eurjchem-2045	163	22	as	as	SCONJ
eurjchem-2045	163	23	reported	report	VERB
eurjchem-2045	163	24	in	in	ADP
eurjchem-2045	163	25	the	the	DET
eurjchem-2045	163	26	literature	literature	NOUN
eurjchem-2045	163	27	[	[	X
eurjchem-2045	163	28	17	17	NUM
eurjchem-2045	163	29	]	]	PUNCT
eurjchem-2045	163	30	where	where	SCONJ
eurjchem-2045	163	31	the	the	DET
eurjchem-2045	163	32	cr	cr	PROPN
eurjchem-2045	163	33	-	-	PUNCT
eurjchem-2045	163	34	cr	cr	PROPN
eurjchem-2045	163	35	reaction	reaction	PROPN
eurjchem-2045	163	36	route	route	PROPN
eurjchem-2045	163	37	was	be	AUX
eurjchem-2045	163	38	identified	identify	VERB
eurjchem-2045	163	39	to	to	PART
eurjchem-2045	163	40	be	be	AUX
eurjchem-2045	163	41	the	the	DET
eurjchem-2045	163	42	path	path	NOUN
eurjchem-2045	163	43	promoting	promote	VERB
eurjchem-2045	163	44	cracking	cracking	NOUN
eurjchem-2045	163	45	of	of	ADP
eurjchem-2045	163	46	propane	propane	NOUN
eurjchem-2045	163	47	into	into	ADP
eurjchem-2045	163	48	smaller	small	ADJ
eurjchem-2045	163	49	molecules	molecule	NOUN
eurjchem-2045	163	50	(	(	PUNCT
eurjchem-2045	163	51	methane	methane	NOUN
eurjchem-2045	163	52	,	,	PUNCT
eurjchem-2045	163	53	ethylene	ethylene	NOUN
eurjchem-2045	163	54	,	,	PUNCT
eurjchem-2045	163	55	and	and	CCONJ
eurjchem-2045	163	56	cokes	coke	NOUN
eurjchem-2045	163	57	)	)	PUNCT
eurjchem-2045	163	58	which	which	PRON
eurjchem-2045	163	59	could	could	AUX
eurjchem-2045	163	60	lead	lead	VERB
eurjchem-2045	163	61	to	to	ADP
eurjchem-2045	163	62	coking	coking	NOUN
eurjchem-2045	163	63	of	of	ADP
eurjchem-2045	163	64	the	the	DET
eurjchem-2045	163	65	catalyst	catalyst	NOUN
eurjchem-2045	163	66	.	.	PUNCT
eurjchem-2045	164	1	3.3	3.3	NUM
eurjchem-2045	164	2	.	.	PUNCT
eurjchem-2045	164	3	evaluation	evaluation	NOUN
eurjchem-2045	164	4	of	of	ADP
eurjchem-2045	164	5	the	the	DET
eurjchem-2045	164	6	reaction	reaction	NOUN
eurjchem-2045	164	7	energy	energy	NOUN
eurjchem-2045	164	8	demands	demand	NOUN
eurjchem-2045	164	9	and	and	CCONJ
eurjchem-2045	164	10	influence	influence	NOUN
eurjchem-2045	164	11	of	of	ADP
eurjchem-2045	164	12	the	the	DET
eurjchem-2045	164	13	active	active	ADJ
eurjchem-2045	164	14	sites	site	NOUN
eurjchem-2045	164	15	figures	figure	VERB
eurjchem-2045	164	16	5	5	NUM
eurjchem-2045	164	17	and	and	CCONJ
eurjchem-2045	164	18	6	6	NUM
eurjchem-2045	164	19	show	show	VERB
eurjchem-2045	164	20	the	the	DET
eurjchem-2045	164	21	reaction	reaction	NOUN
eurjchem-2045	164	22	energies	energy	NOUN
eurjchem-2045	164	23	for	for	ADP
eurjchem-2045	164	24	the	the	DET
eurjchem-2045	164	25	forward	forward	ADJ
eurjchem-2045	164	26	reactions	reaction	NOUN
eurjchem-2045	164	27	of	of	ADP
eurjchem-2045	164	28	the	the	DET
eurjchem-2045	164	29	elementary	elementary	ADJ
eurjchem-2045	164	30	steps	step	NOUN
eurjchem-2045	164	31	in	in	ADP
eurjchem-2045	164	32	the	the	DET
eurjchem-2045	164	33	propane	propane	NOUN
eurjchem-2045	164	34	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	164	35	process	process	NOUN
eurjchem-2045	164	36	.	.	PUNCT
eurjchem-2045	165	1	the	the	DET
eurjchem-2045	165	2	figures	figure	NOUN
eurjchem-2045	165	3	indicate	indicate	VERB
eurjchem-2045	165	4	that	that	SCONJ
eurjchem-2045	165	5	all	all	DET
eurjchem-2045	165	6	elementary	elementary	ADJ
eurjchem-2045	165	7	steps	step	NOUN
eurjchem-2045	165	8	have	have	VERB
eurjchem-2045	165	9	negative	negative	ADJ
eurjchem-2045	165	10	reaction	reaction	NOUN
eurjchem-2045	165	11	energy	energy	NOUN
eurjchem-2045	165	12	,	,	PUNCT
eurjchem-2045	165	13	except	except	SCONJ
eurjchem-2045	165	14	for	for	ADP
eurjchem-2045	165	15	the	the	DET
eurjchem-2045	165	16	first	first	ADJ
eurjchem-2045	165	17	hydrogen	hydrogen	NOUN
eurjchem-2045	165	18	abstraction	abstraction	NOUN
eurjchem-2045	165	19	and	and	CCONJ
eurjchem-2045	165	20	hydrogen	hydrogen	NOUN
eurjchem-2045	165	21	desorption	desorption	NOUN
eurjchem-2045	165	22	steps	step	NOUN
eurjchem-2045	165	23	,	,	PUNCT
eurjchem-2045	165	24	which	which	PRON
eurjchem-2045	165	25	were	be	AUX
eurjchem-2045	165	26	positive	positive	ADJ
eurjchem-2045	165	27	.	.	PUNCT
eurjchem-2045	166	1	the	the	DET
eurjchem-2045	166	2	findings	finding	NOUN
eurjchem-2045	166	3	imply	imply	VERB
eurjchem-2045	166	4	that	that	SCONJ
eurjchem-2045	166	5	all	all	DET
eurjchem-2045	166	6	elementary	elementary	ADJ
eurjchem-2045	166	7	steps	step	NOUN
eurjchem-2045	166	8	are	be	AUX
eurjchem-2045	166	9	exothermic	exothermic	ADJ
eurjchem-2045	166	10	steps	step	NOUN
eurjchem-2045	166	11	except	except	SCONJ
eurjchem-2045	166	12	for	for	ADP
eurjchem-2045	166	13	the	the	DET
eurjchem-2045	166	14	first	first	ADJ
eurjchem-2045	166	15	hydrogen	hydrogen	NOUN
eurjchem-2045	166	16	abstraction	abstraction	NOUN
eurjchem-2045	166	17	and	and	CCONJ
eurjchem-2045	166	18	hydrogen	hydrogen	NOUN
eurjchem-2045	166	19	desorption	desorption	NOUN
eurjchem-2045	166	20	steps	step	NOUN
eurjchem-2045	166	21	,	,	PUNCT
eurjchem-2045	166	22	that	that	PRON
eurjchem-2045	166	23	are	be	AUX
eurjchem-2045	166	24	endothermic	endothermic	ADJ
eurjchem-2045	166	25	.	.	PUNCT
eurjchem-2045	167	1	the	the	DET
eurjchem-2045	167	2	reaction	reaction	NOUN
eurjchem-2045	167	3	energy	energy	NOUN
eurjchem-2045	167	4	for	for	ADP
eurjchem-2045	167	5	the	the	DET
eurjchem-2045	167	6	abstraction	abstraction	NOUN
eurjchem-2045	167	7	of	of	ADP
eurjchem-2045	167	8	the	the	DET
eurjchem-2045	167	9	first	first	ADJ
eurjchem-2045	167	10	hydrogen	hydrogen	NOUN
eurjchem-2045	167	11	from	from	ADP
eurjchem-2045	167	12	propane	propane	NOUN
eurjchem-2045	167	13	was	be	AUX
eurjchem-2045	167	14	in	in	ADP
eurjchem-2045	167	15	the	the	DET
eurjchem-2045	167	16	trend	trend	NOUN
eurjchem-2045	167	17	:	:	PUNCT
eurjchem-2045	167	18	oo	oo	NOUN
eurjchem-2045	167	19	-	-	PUNCT
eurjchem-2045	167	20	s1	s1	NOUN
eurjchem-2045	167	21	(	(	PUNCT
eurjchem-2045	167	22	0.36	0.36	NUM
eurjchem-2045	167	23	ev	ev	NOUN
eurjchem-2045	167	24	)	)	PUNCT
eurjchem-2045	167	25	>	>	X
eurjchem-2045	167	26	cro	cro	PROPN
eurjchem-2045	167	27	-	-	PROPN
eurjchem-2045	167	28	s1	s1	PROPN
eurjchem-2045	167	29	(	(	PUNCT
eurjchem-2045	167	30	0.36	0.36	NUM
eurjchem-2045	167	31	ev	ev	NOUN
eurjchem-2045	167	32	)	)	PUNCT
eurjchem-2045	167	33	>	>	X
eurjchem-2045	168	1	ocr	ocr	PROPN
eurjchem-2045	168	2	-	-	PUNCT
eurjchem-2045	168	3	s1	s1	NOUN
eurjchem-2045	168	4	(	(	PUNCT
eurjchem-2045	168	5	0.28	0.28	NUM
eurjchem-2045	168	6	ev	ev	NOUN
eurjchem-2045	168	7	)	)	PUNCT
eurjchem-2045	168	8	>	>	X
eurjchem-2045	168	9	crcr	crcr	ADV
eurjchem-2045	168	10	-	-	PUNCT
eurjchem-2045	168	11	s1	s1	NOUN
eurjchem-2045	168	12	(	(	PUNCT
eurjchem-2045	168	13	0.28	0.28	NUM
eurjchem-2045	168	14	ev	ev	NOUN
eurjchem-2045	168	15	)	)	PUNCT
eurjchem-2045	168	16	and	and	CCONJ
eurjchem-2045	168	17	oo	oo	NOUN
eurjchem-2045	168	18	-	-	NOUN
eurjchem-2045	168	19	s2	s2	NOUN
eurjchem-2045	168	20	(	(	PUNCT
eurjchem-2045	168	21	0.34	0.34	NUM
eurjchem-2045	168	22	ev	ev	NOUN
eurjchem-2045	168	23	)	)	PUNCT
eurjchem-2045	168	24	>	>	X
eurjchem-2045	168	25	cro	cro	PROPN
eurjchem-2045	168	26	-	-	NOUN
eurjchem-2045	168	27	s2	s2	PROPN
eurjchem-2045	168	28	(	(	PUNCT
eurjchem-2045	168	29	0.34	0.34	NUM
eurjchem-2045	168	30	ev	ev	NOUN
eurjchem-2045	168	31	)	)	PUNCT
eurjchem-2045	168	32	>	>	X
eurjchem-2045	168	33	ocr	ocr	PROPN
eurjchem-2045	168	34	-	-	PUNCT
eurjchem-2045	168	35	s2	s2	PROPN
eurjchem-2045	168	36	(	(	PUNCT
eurjchem-2045	168	37	0.26	0.26	NUM
eurjchem-2045	168	38	ev	ev	NOUN
eurjchem-2045	168	39	)	)	PUNCT
eurjchem-2045	168	40	>	>	X
eurjchem-2045	168	41	crcr	crcr	ADV
eurjchem-2045	168	42	-	-	PUNCT
eurjchem-2045	168	43	s2	s2	NOUN
eurjchem-2045	168	44	(	(	PUNCT
eurjchem-2045	168	45	0.26	0.26	NUM
eurjchem-2045	168	46	ev	ev	NOUN
eurjchem-2045	168	47	)	)	PUNCT
eurjchem-2045	168	48	in	in	ADP
eurjchem-2045	168	49	the	the	DET
eurjchem-2045	168	50	reaction	reaction	NOUN
eurjchem-2045	168	51	route	route	NOUN
eurjchem-2045	168	52	of	of	ADP
eurjchem-2045	168	53	scheme	scheme	NOUN
eurjchem-2045	168	54	1	1	NUM
eurjchem-2045	168	55	and	and	CCONJ
eurjchem-2045	168	56	2	2	NUM
eurjchem-2045	168	57	,	,	PUNCT
eurjchem-2045	168	58	respectively	respectively	ADV
eurjchem-2045	168	59	.	.	PUNCT
eurjchem-2045	169	1	thus	thus	ADV
eurjchem-2045	169	2	,	,	PUNCT
eurjchem-2045	169	3	oo	oo	INTJ
eurjchem-2045	169	4	-	-	PUNCT
eurjchem-2045	169	5	s1	s1	NOUN
eurjchem-2045	169	6	(	(	PUNCT
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eurjchem-2045	169	13	s1	s1	PROPN
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eurjchem-2045	169	27	the	the	DET
eurjchem-2045	169	28	reaction	reaction	NOUN
eurjchem-2045	169	29	at	at	ADP
eurjchem-2045	169	30	the	the	DET
eurjchem-2045	169	31	first	first	ADJ
eurjchem-2045	169	32	hydrogen	hydrogen	NOUN
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eurjchem-2045	169	34	step	step	NOUN
eurjchem-2045	169	35	,	,	PUNCT
eurjchem-2045	169	36	while	while	SCONJ
eurjchem-2045	169	37	ocr	ocr	PROPN
eurjchem-2045	169	38	-	-	PUNCT
eurjchem-2045	169	39	s2	s2	NOUN
eurjchem-2045	169	40	(	(	PUNCT
eurjchem-2045	169	41	0.26	0.26	NUM
eurjchem-2045	169	42	ev	ev	NOUN
eurjchem-2045	169	43	)	)	PUNCT
eurjchem-2045	169	44	and	and	CCONJ
eurjchem-2045	169	45	crcr	crcr	ADV
eurjchem-2045	169	46	-	-	PUNCT
eurjchem-2045	169	47	s2	s2	NOUN
eurjchem-2045	169	48	(	(	PUNCT
eurjchem-2045	169	49	0.26	0.26	NUM
eurjchem-2045	169	50	ev	ev	PRON
eurjchem-2045	169	51	)	)	PUNCT
eurjchem-2045	169	52	has	have	VERB
eurjchem-2045	169	53	the	the	DET
eurjchem-2045	169	54	least	least	ADJ
eurjchem-2045	169	55	reaction	reaction	NOUN
eurjchem-2045	169	56	energy	energy	NOUN
eurjchem-2045	169	57	.	.	PUNCT
eurjchem-2045	170	1	the	the	DET
eurjchem-2045	170	2	findings	finding	NOUN
eurjchem-2045	170	3	reveal	reveal	VERB
eurjchem-2045	170	4	that	that	SCONJ
eurjchem-2045	170	5	all	all	DET
eurjchem-2045	170	6	the	the	DET
eurjchem-2045	170	7	reaction	reaction	NOUN
eurjchem-2045	170	8	energies	energy	NOUN
eurjchem-2045	170	9	are	be	AUX
eurjchem-2045	170	10	positive	positive	ADJ
eurjchem-2045	170	11	,	,	PUNCT
eurjchem-2045	170	12	which	which	PRON
eurjchem-2045	170	13	indicates	indicate	VERB
eurjchem-2045	170	14	that	that	SCONJ
eurjchem-2045	170	15	the	the	DET
eurjchem-2045	170	16	reaction	reaction	NOUN
eurjchem-2045	170	17	step	step	NOUN
eurjchem-2045	170	18	is	be	AUX
eurjchem-2045	170	19	endothermic	endothermic	ADJ
eurjchem-2045	170	20	,	,	PUNCT
eurjchem-2045	170	21	and	and	CCONJ
eurjchem-2045	170	22	more	more	ADJ
eurjchem-2045	170	23	energy	energy	NOUN
eurjchem-2045	170	24	would	would	AUX
eurjchem-2045	170	25	be	be	AUX
eurjchem-2045	170	26	required	require	VERB
eurjchem-2045	170	27	to	to	PART
eurjchem-2045	170	28	overcome	overcome	VERB
eurjchem-2045	170	29	this	this	DET
eurjchem-2045	170	30	step	step	NOUN
eurjchem-2045	170	31	.	.	PUNCT
eurjchem-2045	171	1	the	the	DET
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eurjchem-2045	171	3	energy	energy	NOUN
eurjchem-2045	171	4	shown	show	VERB
eurjchem-2045	171	5	in	in	ADP
eurjchem-2045	171	6	figures	figure	NOUN
eurjchem-2045	171	7	5	5	NUM
eurjchem-2045	171	8	and	and	CCONJ
eurjchem-2045	171	9	6	6	NUM
eurjchem-2045	171	10	for	for	ADP
eurjchem-2045	171	11	the	the	DET
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eurjchem-2045	171	13	of	of	ADP
eurjchem-2045	171	14	the	the	DET
eurjchem-2045	171	15	second	second	ADJ
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eurjchem-2045	171	17	from	from	ADP
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eurjchem-2045	171	19	adsorbed	adsorb	VERB
eurjchem-2045	171	20	isopropyl	isopropyl	NOUN
eurjchem-2045	171	21	is	be	AUX
eurjchem-2045	171	22	in	in	ADP
eurjchem-2045	171	23	the	the	DET
eurjchem-2045	171	24	trend	trend	NOUN
eurjchem-2045	171	25	:	:	PUNCT
eurjchem-2045	171	26	oo	oo	NOUN
eurjchem-2045	171	27	-	-	PUNCT
eurjchem-2045	171	28	s1	s1	NOUN
eurjchem-2045	171	29	(	(	PUNCT
eurjchem-2045	171	30	-0.65	-0.65	NUM
eurjchem-2045	171	31	ev	ev	INTJ
eurjchem-2045	171	32	)	)	PUNCT
eurjchem-2045	171	33	<	<	X
eurjchem-2045	171	34	ocr	ocr	PROPN
eurjchem-2045	171	35	-	-	PUNCT
eurjchem-2045	171	36	s1	s1	NOUN
eurjchem-2045	171	37	(	(	PUNCT
eurjchem-2045	171	38	-0.65	-0.65	NUM
eurjchem-2045	171	39	ev	ev	INTJ
eurjchem-2045	171	40	)	)	PUNCT
eurjchem-2045	171	41	<	<	X
eurjchem-2045	171	42	crcr	crcr	ADV
eurjchem-2045	171	43	-	-	PUNCT
eurjchem-2045	171	44	s1	s1	NOUN
eurjchem-2045	171	45	(	(	PUNCT
eurjchem-2045	171	46	-0.63	-0.63	NOUN
eurjchem-2045	171	47	ev	ev	INTJ
eurjchem-2045	171	48	)	)	PUNCT
eurjchem-2045	171	49	<	<	X
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eurjchem-2045	171	51	-	-	PUNCT
eurjchem-2045	171	52	s1	s1	PROPN
eurjchem-2045	171	53	(	(	PUNCT
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eurjchem-2045	171	55	ev	ev	NOUN
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eurjchem-2045	171	57	and	and	CCONJ
eurjchem-2045	171	58	oo	oo	NOUN
eurjchem-2045	171	59	-	-	NOUN
eurjchem-2045	171	60	s2	s2	NOUN
eurjchem-2045	171	61	(	(	PUNCT
eurjchem-2045	171	62	-0.64	-0.64	NOUN
eurjchem-2045	171	63	ev	ev	NOUN
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eurjchem-2045	171	65	<	<	X
eurjchem-2045	171	66	ocr	ocr	PROPN
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eurjchem-2045	171	71	ev	ev	NOUN
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eurjchem-2045	171	73	<	<	X
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eurjchem-2045	171	77	(	(	PUNCT
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eurjchem-2045	171	83	(	(	PUNCT
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eurjchem-2045	178	28	+	+	ADP
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eurjchem-2045	179	8	+	+	NOUN
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eurjchem-2045	181	25	+	+	SYM
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eurjchem-2045	181	34	ts2ts2	ts2ts2	PROPN
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eurjchem-2045	182	24	–	–	PUNCT
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eurjchem-2045	182	29	–	–	PUNCT
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eurjchem-2045	182	59	step	step	NOUN
eurjchem-2045	182	60	is	be	AUX
eurjchem-2045	182	61	exothermic	exothermic	ADJ
eurjchem-2045	182	62	,	,	PUNCT
eurjchem-2045	182	63	and	and	CCONJ
eurjchem-2045	182	64	the	the	DET
eurjchem-2045	182	65	step	step	NOUN
eurjchem-2045	182	66	would	would	AUX
eurjchem-2045	182	67	require	require	VERB
eurjchem-2045	182	68	less	less	ADJ
eurjchem-2045	182	69	energy	energy	NOUN
eurjchem-2045	182	70	compared	compare	VERB
eurjchem-2045	182	71	to	to	ADP
eurjchem-2045	182	72	the	the	DET
eurjchem-2045	182	73	initial	initial	ADJ
eurjchem-2045	182	74	abstraction	abstraction	NOUN
eurjchem-2045	182	75	step	step	NOUN
eurjchem-2045	182	76	.	.	PUNCT
eurjchem-2045	183	1	moreover	moreover	ADV
eurjchem-2045	183	2	,	,	PUNCT
eurjchem-2045	183	3	oo	oo	NOUN
eurjchem-2045	183	4	-	-	PUNCT
eurjchem-2045	183	5	s1	s1	NOUN
eurjchem-2045	183	6	(	(	PUNCT
eurjchem-2045	183	7	-0.65	-0.65	NUM
eurjchem-2045	183	8	ev	ev	NOUN
eurjchem-2045	183	9	)	)	PUNCT
eurjchem-2045	183	10	and	and	CCONJ
eurjchem-2045	183	11	ocr	ocr	PROPN
eurjchem-2045	183	12	-	-	PUNCT
eurjchem-2045	183	13	s1	s1	NOUN
eurjchem-2045	183	14	(	(	PUNCT
eurjchem-2045	183	15	-0.65	-0.65	ADP
eurjchem-2045	183	16	ev	ev	INTJ
eurjchem-2045	183	17	)	)	PUNCT
eurjchem-2045	183	18	sites	site	NOUN
eurjchem-2045	183	19	displayed	display	VERB
eurjchem-2045	183	20	the	the	DET
eurjchem-2045	183	21	highest	high	ADJ
eurjchem-2045	183	22	negative	negative	ADJ
eurjchem-2045	183	23	reaction	reaction	NOUN
eurjchem-2045	183	24	energy	energy	NOUN
eurjchem-2045	183	25	.	.	PUNCT
eurjchem-2045	184	1	in	in	ADP
eurjchem-2045	184	2	comparison	comparison	NOUN
eurjchem-2045	184	3	,	,	PUNCT
eurjchem-2045	184	4	cro	cro	NOUN
eurjchem-2045	184	5	-	-	NOUN
eurjchem-2045	184	6	s2	s2	PROPN
eurjchem-2045	184	7	(	(	PUNCT
eurjchem-2045	184	8	-0.58	-0.58	PROPN
eurjchem-2045	184	9	ev	ev	NOUN
eurjchem-2045	184	10	)	)	PUNCT
eurjchem-2045	184	11	was	be	AUX
eurjchem-2045	184	12	found	find	VERB
eurjchem-2045	184	13	to	to	PART
eurjchem-2045	184	14	have	have	AUX
eurjchem-2045	184	15	shown	show	VERB
eurjchem-2045	184	16	the	the	DET
eurjchem-2045	184	17	least	least	ADJ
eurjchem-2045	184	18	negative	negative	ADJ
eurjchem-2045	184	19	reaction	reaction	NOUN
eurjchem-2045	184	20	energy	energy	NOUN
eurjchem-2045	184	21	for	for	ADP
eurjchem-2045	184	22	the	the	DET
eurjchem-2045	184	23	reaction	reaction	NOUN
eurjchem-2045	184	24	’s	’s	PART
eurjchem-2045	184	25	progression	progression	NOUN
eurjchem-2045	184	26	when	when	SCONJ
eurjchem-2045	184	27	abstracting	abstract	VERB
eurjchem-2045	184	28	the	the	DET
eurjchem-2045	184	29	second	second	ADJ
eurjchem-2045	184	30	hydrogen	hydrogen	NOUN
eurjchem-2045	184	31	.	.	PUNCT
eurjchem-2045	185	1	from	from	ADP
eurjchem-2045	185	2	the	the	DET
eurjchem-2045	185	3	overall	overall	ADJ
eurjchem-2045	185	4	assessment	assessment	NOUN
eurjchem-2045	185	5	of	of	ADP
eurjchem-2045	185	6	the	the	DET
eurjchem-2045	185	7	reaction	reaction	NOUN
eurjchem-2045	185	8	energies	energy	NOUN
eurjchem-2045	185	9	required	require	VERB
eurjchem-2045	185	10	to	to	PART
eurjchem-2045	185	11	get	get	VERB
eurjchem-2045	185	12	hydrogen	hydrogen	NOUN
eurjchem-2045	185	13	desorbed	desorb	VERB
eurjchem-2045	185	14	,	,	PUNCT
eurjchem-2045	185	15	the	the	DET
eurjchem-2045	185	16	cr	cr	PROPN
eurjchem-2045	185	17	-	-	PUNCT
eurjchem-2045	185	18	o	o	NOUN
eurjchem-2045	185	19	site	site	NOUN
eurjchem-2045	185	20	was	be	AUX
eurjchem-2045	185	21	identified	identify	VERB
eurjchem-2045	185	22	to	to	PART
eurjchem-2045	185	23	have	have	AUX
eurjchem-2045	185	24	recorded	record	VERB
eurjchem-2045	185	25	the	the	DET
eurjchem-2045	185	26	least	least	ADJ
eurjchem-2045	185	27	reaction	reaction	NOUN
eurjchem-2045	185	28	energy	energy	NOUN
eurjchem-2045	185	29	.	.	PUNCT
eurjchem-2045	186	1	this	this	DET
eurjchem-2045	186	2	assessment	assessment	NOUN
eurjchem-2045	186	3	indicates	indicate	VERB
eurjchem-2045	186	4	the	the	DET
eurjchem-2045	186	5	influence	influence	NOUN
eurjchem-2045	186	6	of	of	ADP
eurjchem-2045	186	7	the	the	DET
eurjchem-2045	186	8	active	active	ADJ
eurjchem-2045	186	9	site	site	NOUN
eurjchem-2045	186	10	on	on	ADP
eurjchem-2045	186	11	the	the	DET
eurjchem-2045	186	12	level	level	NOUN
eurjchem-2045	186	13	of	of	ADP
eurjchem-2045	186	14	the	the	DET
eurjchem-2045	186	15	energy	energy	NOUN
eurjchem-2045	186	16	barrier	barrier	NOUN
eurjchem-2045	186	17	.	.	PUNCT
eurjchem-2045	187	1	3.4	3.4	NUM
eurjchem-2045	187	2	.	.	PUNCT
eurjchem-2045	187	3	evaluation	evaluation	NOUN
eurjchem-2045	187	4	of	of	ADP
eurjchem-2045	187	5	thermodynamic	thermodynamic	ADJ
eurjchem-2045	187	6	feasibility	feasibility	NOUN
eurjchem-2045	187	7	of	of	ADP
eurjchem-2045	187	8	a	a	DET
eurjchem-2045	187	9	different	different	ADJ
eurjchem-2045	187	10	reaction	reaction	NOUN
eurjchem-2045	187	11	route	route	NOUN
eurjchem-2045	187	12	or	or	CCONJ
eurjchem-2045	187	13	path	path	NOUN
eurjchem-2045	187	14	and	and	CCONJ
eurjchem-2045	187	15	the	the	DET
eurjchem-2045	187	16	identification	identification	NOUN
eurjchem-2045	187	17	of	of	ADP
eurjchem-2045	187	18	potential	potential	ADJ
eurjchem-2045	187	19	rate	rate	NOUN
eurjchem-2045	187	20	-	-	PUNCT
eurjchem-2045	187	21	limiting	limit	VERB
eurjchem-2045	187	22	steps	step	NOUN
eurjchem-2045	187	23	in	in	ADP
eurjchem-2045	187	24	the	the	DET
eurjchem-2045	187	25	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	187	26	process	process	NOUN
eurjchem-2045	187	27	the	the	DET
eurjchem-2045	187	28	energy	energy	NOUN
eurjchem-2045	187	29	profiles	profile	NOUN
eurjchem-2045	187	30	presenting	present	VERB
eurjchem-2045	187	31	the	the	DET
eurjchem-2045	187	32	reaction	reaction	NOUN
eurjchem-2045	187	33	pathways	pathway	NOUN
eurjchem-2045	187	34	were	be	AUX
eurjchem-2045	187	35	used	use	VERB
eurjchem-2045	187	36	to	to	PART
eurjchem-2045	187	37	identify	identify	VERB
eurjchem-2045	187	38	the	the	DET
eurjchem-2045	187	39	energetically	energetically	ADV
eurjchem-2045	187	40	feasible	feasible	ADJ
eurjchem-2045	187	41	reaction	reaction	NOUN
eurjchem-2045	187	42	path	path	NOUN
eurjchem-2045	187	43	that	that	PRON
eurjchem-2045	187	44	leads	lead	VERB
eurjchem-2045	187	45	to	to	ADP
eurjchem-2045	187	46	the	the	DET
eurjchem-2045	187	47	production	production	NOUN
eurjchem-2045	187	48	process	process	NOUN
eurjchem-2045	187	49	across	across	ADP
eurjchem-2045	187	50	the	the	DET
eurjchem-2045	187	51	chromium	chromium	NOUN
eurjchem-2045	187	52	oxide	oxide	NOUN
eurjchem-2045	187	53	surface	surface	NOUN
eurjchem-2045	187	54	while	while	SCONJ
eurjchem-2045	187	55	assessing	assess	VERB
eurjchem-2045	187	56	the	the	DET
eurjchem-2045	187	57	impact	impact	NOUN
eurjchem-2045	187	58	of	of	ADP
eurjchem-2045	187	59	different	different	ADJ
eurjchem-2045	187	60	surface	surface	NOUN
eurjchem-2045	187	61	sites	site	NOUN
eurjchem-2045	187	62	like	like	ADP
eurjchem-2045	187	63	cr	cr	NOUN
eurjchem-2045	187	64	-	-	PUNCT
eurjchem-2045	187	65	cr	cr	PROPN
eurjchem-2045	187	66	and	and	CCONJ
eurjchem-2045	187	67	cr	cr	PROPN
eurjchem-2045	187	68	-	-	PUNCT
eurjchem-2045	187	69	o	o	NOUN
eurjchem-2045	187	70	sites	site	NOUN
eurjchem-2045	187	71	presented	present	VERB
eurjchem-2045	187	72	in	in	ADP
eurjchem-2045	187	73	figure	figure	NOUN
eurjchem-2045	187	74	7	7	NUM
eurjchem-2045	187	75	,	,	PUNCT
eurjchem-2045	187	76	while	while	SCONJ
eurjchem-2045	187	77	o	o	NOUN
eurjchem-2045	187	78	-	-	NOUN
eurjchem-2045	187	79	o	o	NOUN
eurjchem-2045	187	80	and	and	CCONJ
eurjchem-2045	187	81	o	o	NOUN
eurjchem-2045	187	82	-	-	NOUN
eurjchem-2045	187	83	cr	cr	ADJ
eurjchem-2045	187	84	sites	site	NOUN
eurjchem-2045	187	85	in	in	ADP
eurjchem-2045	187	86	figure	figure	NOUN
eurjchem-2045	187	87	8	8	NUM
eurjchem-2045	187	88	,	,	PUNCT
eurjchem-2045	187	89	together	together	ADV
eurjchem-2045	187	90	with	with	ADP
eurjchem-2045	187	91	the	the	DET
eurjchem-2045	187	92	identification	identification	NOUN
eurjchem-2045	187	93	of	of	ADP
eurjchem-2045	187	94	possible	possible	ADJ
eurjchem-2045	187	95	path	path	NOUN
eurjchem-2045	187	96	for	for	ADP
eurjchem-2045	187	97	propane	propane	NOUN
eurjchem-2045	187	98	activation	activation	NOUN
eurjchem-2045	187	99	,	,	PUNCT
eurjchem-2045	187	100	i.e.	i.e.	X
eurjchem-2045	187	101	,	,	PUNCT
eurjchem-2045	187	102	alpha	alpha	NOUN
eurjchem-2045	187	103	-	-	PUNCT
eurjchem-2045	187	104	c	c	PROPN
eurjchem-2045	187	105	(	(	PUNCT
eurjchem-2045	187	106	i.e.	i.e.	X
eurjchem-2045	187	107	,	,	PUNCT
eurjchem-2045	187	108	scheme	scheme	NOUN
eurjchem-2045	187	109	1	1	NUM
eurjchem-2045	187	110	)	)	PUNCT
eurjchem-2045	187	111	or	or	CCONJ
eurjchem-2045	187	112	betac	betac	ADJ
eurjchem-2045	187	113	(	(	PUNCT
eurjchem-2045	187	114	i.e.	i.e.	X
eurjchem-2045	187	115	,	,	PUNCT
eurjchem-2045	187	116	scheme	scheme	NOUN
eurjchem-2045	187	117	2	2	NUM
eurjchem-2045	187	118	)	)	PUNCT
eurjchem-2045	187	119	on	on	ADP
eurjchem-2045	187	120	the	the	DET
eurjchem-2045	187	121	catalyst	catalyst	NOUN
eurjchem-2045	187	122	.	.	PUNCT
eurjchem-2045	188	1	the	the	DET
eurjchem-2045	188	2	assessment	assessment	NOUN
eurjchem-2045	188	3	of	of	ADP
eurjchem-2045	188	4	the	the	DET
eurjchem-2045	188	5	six	six	NUM
eurjchem-2045	188	6	elementary	elementary	ADJ
eurjchem-2045	188	7	steps	step	NOUN
eurjchem-2045	188	8	involved	involve	VERB
eurjchem-2045	188	9	in	in	ADP
eurjchem-2045	188	10	the	the	DET
eurjchem-2045	188	11	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	188	12	of	of	ADP
eurjchem-2045	188	13	propane	propane	NOUN
eurjchem-2045	188	14	across	across	ADP
eurjchem-2045	188	15	cr	cr	PROPN
eurjchem-2045	188	16	-	-	PUNCT
eurjchem-2045	188	17	cr	cr	PROPN
eurjchem-2045	188	18	,	,	PUNCT
eurjchem-2045	188	19	cr	cr	PROPN
eurjchem-2045	188	20	-	-	PUNCT
eurjchem-2045	188	21	o	o	NOUN
eurjchem-2045	188	22	,	,	PUNCT
eurjchem-2045	188	23	o	o	PROPN
eurjchem-2045	188	24	-	-	PUNCT
eurjchem-2045	188	25	cr	cr	NOUN
eurjchem-2045	188	26	,	,	PUNCT
eurjchem-2045	188	27	and	and	CCONJ
eurjchem-2045	188	28	o	o	NOUN
eurjchem-2045	188	29	-	-	NOUN
eurjchem-2045	188	30	o	o	NOUN
eurjchem-2045	188	31	sites	site	NOUN
eurjchem-2045	188	32	were	be	AUX
eurjchem-2045	188	33	evaluated	evaluate	VERB
eurjchem-2045	188	34	.	.	PUNCT
eurjchem-2045	189	1	the	the	DET
eurjchem-2045	189	2	assessment	assessment	NOUN
eurjchem-2045	189	3	of	of	ADP
eurjchem-2045	189	4	the	the	DET
eurjchem-2045	189	5	adsorption	adsorption	NOUN
eurjchem-2045	189	6	steps	step	NOUN
eurjchem-2045	189	7	across	across	ADP
eurjchem-2045	189	8	all	all	DET
eurjchem-2045	189	9	sites	site	NOUN
eurjchem-2045	189	10	irrespective	irrespective	ADV
eurjchem-2045	189	11	of	of	ADP
eurjchem-2045	189	12	schemes	scheme	NOUN
eurjchem-2045	189	13	employed	employ	VERB
eurjchem-2045	189	14	,	,	PUNCT
eurjchem-2045	189	15	schemes	scheme	NOUN
eurjchem-2045	189	16	1	1	NUM
eurjchem-2045	189	17	or	or	CCONJ
eurjchem-2045	189	18	2	2	NUM
eurjchem-2045	189	19	reveals	reveal	VERB
eurjchem-2045	189	20	that	that	SCONJ
eurjchem-2045	189	21	all	all	DET
eurjchem-2045	189	22	reaction	reaction	NOUN
eurjchem-2045	189	23	pathways	pathway	NOUN
eurjchem-2045	189	24	were	be	AUX
eurjchem-2045	189	25	found	find	VERB
eurjchem-2045	189	26	to	to	PART
eurjchem-2045	189	27	have	have	AUX
eurjchem-2045	189	28	shown	show	VERB
eurjchem-2045	189	29	a	a	DET
eurjchem-2045	189	30	similar	similar	ADJ
eurjchem-2045	189	31	propane	propane	NOUN
eurjchem-2045	189	32	adsorption	adsorption	NOUN
eurjchem-2045	189	33	trend	trend	NOUN
eurjchem-2045	189	34	,	,	PUNCT
eurjchem-2045	189	35	indicating	indicate	VERB
eurjchem-2045	189	36	an	an	DET
eurjchem-2045	189	37	exothermic	exothermic	ADJ
eurjchem-2045	189	38	process	process	NOUN
eurjchem-2045	189	39	with	with	ADP
eurjchem-2045	189	40	a	a	DET
eurjchem-2045	189	41	barrier	barrier	NOUN
eurjchem-2045	189	42	less	less	ADJ
eurjchem-2045	189	43	profile	profile	NOUN
eurjchem-2045	189	44	in	in	ADP
eurjchem-2045	189	45	the	the	DET
eurjchem-2045	189	46	energy	energy	NOUN
eurjchem-2045	189	47	profile	profile	NOUN
eurjchem-2045	189	48	,	,	PUNCT
eurjchem-2045	189	49	as	as	SCONJ
eurjchem-2045	189	50	shown	show	VERB
eurjchem-2045	189	51	in	in	ADP
eurjchem-2045	189	52	both	both	DET
eurjchem-2045	189	53	figures	figure	NOUN
eurjchem-2045	189	54	7	7	NUM
eurjchem-2045	189	55	and	and	CCONJ
eurjchem-2045	189	56	8	8	NUM
eurjchem-2045	189	57	.	.	PUNCT
eurjchem-2045	190	1	further	further	ADJ
eurjchem-2045	190	2	studies	study	NOUN
eurjchem-2045	190	3	of	of	ADP
eurjchem-2045	190	4	the	the	DET
eurjchem-2045	190	5	results	result	NOUN
eurjchem-2045	190	6	presented	present	VERB
eurjchem-2045	190	7	both	both	PRON
eurjchem-2045	190	8	in	in	ADP
eurjchem-2045	190	9	figures	figure	NOUN
eurjchem-2045	190	10	7	7	NUM
eurjchem-2045	190	11	and	and	CCONJ
eurjchem-2045	190	12	8	8	NUM
eurjchem-2045	190	13	,	,	PUNCT
eurjchem-2045	190	14	for	for	ADP
eurjchem-2045	190	15	the	the	DET
eurjchem-2045	190	16	first	first	ADJ
eurjchem-2045	190	17	abstraction	abstraction	NOUN
eurjchem-2045	190	18	or	or	CCONJ
eurjchem-2045	190	19	elimination	elimination	NOUN
eurjchem-2045	190	20	of	of	ADP
eurjchem-2045	190	21	hydrogen	hydrogen	NOUN
eurjchem-2045	190	22	atoms	atom	NOUN
eurjchem-2045	190	23	from	from	ADP
eurjchem-2045	190	24	the	the	DET
eurjchem-2045	190	25	propane	propane	NOUN
eurjchem-2045	190	26	show	show	NOUN
eurjchem-2045	190	27	that	that	SCONJ
eurjchem-2045	190	28	scheme	scheme	NOUN
eurjchem-2045	190	29	1	1	NUM
eurjchem-2045	190	30	(	(	PUNCT
eurjchem-2045	190	31	where	where	SCONJ
eurjchem-2045	190	32	the	the	DET
eurjchem-2045	190	33	first	first	ADJ
eurjchem-2045	190	34	abstraction	abstraction	NOUN
eurjchem-2045	190	35	was	be	AUX
eurjchem-2045	190	36	held	hold	VERB
eurjchem-2045	190	37	across	across	ADP
eurjchem-2045	190	38	the	the	DET
eurjchem-2045	190	39	alpha	alpha	NOUN
eurjchem-2045	190	40	or	or	CCONJ
eurjchem-2045	190	41	terminal	terminal	ADJ
eurjchem-2045	190	42	carbon	carbon	NOUN
eurjchem-2045	190	43	of	of	ADP
eurjchem-2045	190	44	the	the	DET
eurjchem-2045	190	45	propane	propane	NOUN
eurjchem-2045	190	46	,	,	PUNCT
eurjchem-2045	190	47	and	and	CCONJ
eurjchem-2045	190	48	the	the	DET
eurjchem-2045	190	49	cr	cr	PROPN
eurjchem-2045	190	50	-	-	PUNCT
eurjchem-2045	190	51	o	o	NOUN
eurjchem-2045	190	52	site	site	NOUN
eurjchem-2045	190	53	,	,	PUNCT
eurjchem-2045	190	54	i.e.	i.e.	X
eurjchem-2045	190	55	,	,	PUNCT
eurjchem-2045	190	56	cr	cr	PROPN
eurjchem-2045	190	57	-	-	PUNCT
eurjchem-2045	190	58	o	o	NOUN
eurjchem-2045	190	59	(	(	PUNCT
eurjchem-2045	190	60	scheme	scheme	NOUN
eurjchem-2045	190	61	1	1	NUM
eurjchem-2045	190	62	)	)	PUNCT
eurjchem-2045	190	63	reaction	reaction	NOUN
eurjchem-2045	190	64	path	path	NOUN
eurjchem-2045	190	65	was	be	AUX
eurjchem-2045	190	66	found	find	VERB
eurjchem-2045	190	67	to	to	PART
eurjchem-2045	190	68	have	have	AUX
eurjchem-2045	190	69	displayed	display	VERB
eurjchem-2045	190	70	the	the	DET
eurjchem-2045	190	71	lowest	low	ADJ
eurjchem-2045	190	72	energy	energy	NOUN
eurjchem-2045	190	73	barrier	barrier	NOUN
eurjchem-2045	190	74	.	.	PUNCT
eurjchem-2045	191	1	while	while	SCONJ
eurjchem-2045	191	2	the	the	DET
eurjchem-2045	191	3	reaction	reaction	NOUN
eurjchem-2045	191	4	path	path	NOUN
eurjchem-2045	191	5	involved	involve	VERB
eurjchem-2045	191	6	the	the	DET
eurjchem-2045	191	7	interaction	interaction	NOUN
eurjchem-2045	191	8	of	of	ADP
eurjchem-2045	191	9	o	o	PROPN
eurjchem-2045	191	10	-	-	PROPN
eurjchem-2045	191	11	o	o	NOUN
eurjchem-2045	191	12	site	site	NOUN
eurjchem-2045	191	13	and	and	CCONJ
eurjchem-2045	191	14	the	the	DET
eurjchem-2045	191	15	beta	beta	NOUN
eurjchem-2045	191	16	(	(	PUNCT
eurjchem-2045	191	17	middle	middle	ADJ
eurjchem-2045	191	18	)	)	PUNCT
eurjchem-2045	191	19	carbon	carbon	NOUN
eurjchem-2045	191	20	atom	atom	NOUN
eurjchem-2045	191	21	site	site	NOUN
eurjchem-2045	191	22	,	,	PUNCT
eurjchem-2045	191	23	i.e.	i.e.	X
eurjchem-2045	191	24	,	,	PUNCT
eurjchem-2045	191	25	o	o	NOUN
eurjchem-2045	191	26	-	-	NOUN
eurjchem-2045	191	27	o	o	X
eurjchem-2045	191	28	(	(	PUNCT
eurjchem-2045	191	29	scheme	scheme	NOUN
eurjchem-2045	191	30	2	2	NUM
eurjchem-2045	191	31	)	)	PUNCT
eurjchem-2045	191	32	,	,	PUNCT
eurjchem-2045	191	33	displayed	display	VERB
eurjchem-2045	191	34	the	the	DET
eurjchem-2045	191	35	highest	high	ADJ
eurjchem-2045	191	36	energy	energy	NOUN
eurjchem-2045	191	37	barrier	barrier	NOUN
eurjchem-2045	191	38	indicating	indicate	VERB
eurjchem-2045	191	39	a	a	DET
eurjchem-2045	191	40	higher	high	ADJ
eurjchem-2045	191	41	energy	energy	NOUN
eurjchem-2045	191	42	demand	demand	NOUN
eurjchem-2045	191	43	for	for	ADP
eurjchem-2045	191	44	the	the	DET
eurjchem-2045	191	45	reaction	reaction	NOUN
eurjchem-2045	191	46	to	to	PART
eurjchem-2045	191	47	hold	hold	VERB
eurjchem-2045	191	48	along	along	ADP
eurjchem-2045	191	49	that	that	DET
eurjchem-2045	191	50	reaction	reaction	NOUN
eurjchem-2045	191	51	pathway	pathway	NOUN
eurjchem-2045	191	52	.	.	PUNCT
eurjchem-2045	192	1	the	the	DET
eurjchem-2045	192	2	deductions	deduction	NOUN
eurjchem-2045	192	3	made	make	VERB
eurjchem-2045	192	4	from	from	ADP
eurjchem-2045	192	5	these	these	DET
eurjchem-2045	192	6	profiles	profile	NOUN
eurjchem-2045	192	7	agree	agree	VERB
eurjchem-2045	192	8	with	with	ADP
eurjchem-2045	192	9	that	that	PRON
eurjchem-2045	192	10	which	which	PRON
eurjchem-2045	192	11	was	be	AUX
eurjchem-2045	192	12	obtained	obtain	VERB
eurjchem-2045	192	13	from	from	ADP
eurjchem-2045	192	14	figure	figure	NOUN
eurjchem-2045	192	15	3	3	NUM
eurjchem-2045	192	16	,	,	PUNCT
eurjchem-2045	192	17	indicating	indicate	VERB
eurjchem-2045	192	18	that	that	SCONJ
eurjchem-2045	192	19	cr	cr	PROPN
eurjchem-2045	192	20	-	-	PUNCT
eurjchem-2045	192	21	o	o	NOUN
eurjchem-2045	192	22	(	(	PUNCT
eurjchem-2045	192	23	scheme	scheme	NOUN
eurjchem-2045	192	24	1	1	NUM
eurjchem-2045	192	25	)	)	PUNCT
eurjchem-2045	192	26	reaction	reaction	NOUN
eurjchem-2045	192	27	path	path	NOUN
eurjchem-2045	192	28	has	have	VERB
eurjchem-2045	192	29	the	the	DET
eurjchem-2045	192	30	lowest	low	ADJ
eurjchem-2045	192	31	energy	energy	NOUN
eurjchem-2045	192	32	barrier	barrier	NOUN
eurjchem-2045	192	33	for	for	ADP
eurjchem-2045	192	34	the	the	DET
eurjchem-2045	192	35	1st	1st	ADJ
eurjchem-2045	192	36	abstraction	abstraction	NOUN
eurjchem-2045	192	37	step	step	NOUN
eurjchem-2045	192	38	.	.	PUNCT
eurjchem-2045	193	1	the	the	DET
eurjchem-2045	193	2	first	first	ADJ
eurjchem-2045	193	3	abstraction	abstraction	ADJ
eurjchem-2045	193	4	step	step	NOUN
eurjchem-2045	193	5	across	across	ADP
eurjchem-2045	193	6	the	the	DET
eurjchem-2045	193	7	reaction	reaction	NOUN
eurjchem-2045	193	8	paths	path	NOUN
eurjchem-2045	193	9	evaluated	evaluate	VERB
eurjchem-2045	193	10	was	be	AUX
eurjchem-2045	193	11	all	all	PRON
eurjchem-2045	193	12	found	find	VERB
eurjchem-2045	193	13	to	to	PART
eurjchem-2045	193	14	be	be	AUX
eurjchem-2045	193	15	endothermic	endothermic	ADJ
eurjchem-2045	193	16	.	.	PUNCT
eurjchem-2045	194	1	in	in	ADP
eurjchem-2045	194	2	addition	addition	NOUN
eurjchem-2045	194	3	,	,	PUNCT
eurjchem-2045	194	4	the	the	DET
eurjchem-2045	194	5	reaction	reaction	NOUN
eurjchem-2045	194	6	profiles	profile	NOUN
eurjchem-2045	194	7	on	on	ADP
eurjchem-2045	194	8	vanadium	vanadium	NOUN
eurjchem-2045	194	9	oxide	oxide	NOUN
eurjchem-2045	194	10	presented	present	VERB
eurjchem-2045	194	11	in	in	ADP
eurjchem-2045	194	12	the	the	DET
eurjchem-2045	194	13	report	report	NOUN
eurjchem-2045	194	14	of	of	ADP
eurjchem-2045	194	15	zhao	zhao	PROPN
eurjchem-2045	194	16	et	et	PROPN
eurjchem-2045	194	17	al	al	PROPN
eurjchem-2045	194	18	.	.	PUNCT
eurjchem-2045	195	1	[	[	X
eurjchem-2045	195	2	36	36	NUM
eurjchem-2045	195	3	]	]	PUNCT
eurjchem-2045	195	4	indicate	indicate	VERB
eurjchem-2045	195	5	a	a	DET
eurjchem-2045	195	6	similar	similar	ADJ
eurjchem-2045	195	7	trend	trend	NOUN
eurjchem-2045	195	8	with	with	ADP
eurjchem-2045	195	9	that	that	PRON
eurjchem-2045	195	10	shown	show	VERB
eurjchem-2045	195	11	in	in	ADP
eurjchem-2045	195	12	figures	figure	NOUN
eurjchem-2045	195	13	7	7	NUM
eurjchem-2045	195	14	and	and	CCONJ
eurjchem-2045	195	15	8	8	NUM
eurjchem-2045	195	16	for	for	ADP
eurjchem-2045	195	17	the	the	DET
eurjchem-2045	195	18	first	first	ADJ
eurjchem-2045	195	19	abstraction	abstraction	NOUN
eurjchem-2045	195	20	step	step	NOUN
eurjchem-2045	195	21	,	,	PUNCT
eurjchem-2045	195	22	which	which	PRON
eurjchem-2045	195	23	was	be	AUX
eurjchem-2045	195	24	found	find	VERB
eurjchem-2045	195	25	to	to	PART
eurjchem-2045	195	26	have	have	VERB
eurjchem-2045	195	27	an	an	DET
eurjchem-2045	195	28	endothermic	endothermic	ADJ
eurjchem-2045	195	29	barrier	barrier	NOUN
eurjchem-2045	195	30	.	.	PUNCT
eurjchem-2045	196	1	moreover	moreover	ADV
eurjchem-2045	196	2	,	,	PUNCT
eurjchem-2045	196	3	the	the	DET
eurjchem-2045	196	4	products	product	NOUN
eurjchem-2045	196	5	(	(	PUNCT
eurjchem-2045	196	6	that	that	ADV
eurjchem-2045	196	7	is	is	ADV
eurjchem-2045	196	8	,	,	PUNCT
eurjchem-2045	196	9	adsorbed	adsorb	VERB
eurjchem-2045	196	10	propyl	propyl	NOUN
eurjchem-2045	196	11	)	)	PUNCT
eurjchem-2045	196	12	of	of	ADP
eurjchem-2045	196	13	the	the	DET
eurjchem-2045	196	14	first	first	ADJ
eurjchem-2045	196	15	abstraction	abstraction	NOUN
eurjchem-2045	196	16	step	step	NOUN
eurjchem-2045	196	17	indicate	indicate	VERB
eurjchem-2045	196	18	that	that	SCONJ
eurjchem-2045	196	19	o	o	NOUN
eurjchem-2045	196	20	-	-	NOUN
eurjchem-2045	196	21	o	o	X
eurjchem-2045	196	22	(	(	PUNCT
eurjchem-2045	196	23	s1	s1	PROPN
eurjchem-2045	196	24	)	)	PUNCT
eurjchem-2045	196	25	and	and	CCONJ
eurjchem-2045	196	26	cr	cr	PROPN
eurjchem-2045	196	27	-	-	PUNCT
eurjchem-2045	196	28	o	o	PROPN
eurjchem-2045	196	29	(	(	PUNCT
eurjchem-2045	196	30	s1	s1	NOUN
eurjchem-2045	196	31	)	)	PUNCT
eurjchem-2045	196	32	record	record	NOUN
eurjchem-2045	196	33	the	the	DET
eurjchem-2045	196	34	least	least	ADJ
eurjchem-2045	196	35	negative	negative	ADJ
eurjchem-2045	196	36	energy	energy	NOUN
eurjchem-2045	196	37	value	value	NOUN
eurjchem-2045	196	38	while	while	SCONJ
eurjchem-2045	196	39	o	o	NOUN
eurjchem-2045	196	40	-	-	PUNCT
eurjchem-2045	196	41	cr	cr	PROPN
eurjchem-2045	196	42	(	(	PUNCT
eurjchem-2045	196	43	s2	s2	PROPN
eurjchem-2045	196	44	)	)	PUNCT
eurjchem-2045	196	45	and	and	CCONJ
eurjchem-2045	196	46	crcr	crcr	ADV
eurjchem-2045	196	47	(	(	PUNCT
eurjchem-2045	196	48	s2	s2	PROPN
eurjchem-2045	196	49	)	)	PUNCT
eurjchem-2045	196	50	show	show	VERB
eurjchem-2045	196	51	the	the	DET
eurjchem-2045	196	52	most	most	ADV
eurjchem-2045	196	53	negative	negative	ADJ
eurjchem-2045	196	54	energy	energy	NOUN
eurjchem-2045	196	55	.	.	PUNCT
eurjchem-2045	197	1	the	the	DET
eurjchem-2045	197	2	findings	finding	NOUN
eurjchem-2045	197	3	imply	imply	VERB
eurjchem-2045	197	4	that	that	SCONJ
eurjchem-2045	197	5	o	o	NOUN
eurjchem-2045	197	6	-	-	PUNCT
eurjchem-2045	197	7	cr	cr	PROPN
eurjchem-2045	197	8	(	(	PUNCT
eurjchem-2045	197	9	s2	s2	PROPN
eurjchem-2045	197	10	)	)	PUNCT
eurjchem-2045	197	11	and	and	CCONJ
eurjchem-2045	197	12	cr	cr	PROPN
eurjchem-2045	197	13	-	-	PUNCT
eurjchem-2045	197	14	cr	cr	PROPN
eurjchem-2045	197	15	(	(	PUNCT
eurjchem-2045	197	16	s2	s2	PROPN
eurjchem-2045	197	17	)	)	PUNCT
eurjchem-2045	197	18	sites	site	NOUN
eurjchem-2045	197	19	would	would	AUX
eurjchem-2045	197	20	yield	yield	VERB
eurjchem-2045	197	21	more	more	ADV
eurjchem-2045	197	22	stable	stable	ADJ
eurjchem-2045	197	23	intermediate	intermediate	ADJ
eurjchem-2045	197	24	species	specie	NOUN
eurjchem-2045	197	25	on	on	ADP
eurjchem-2045	197	26	their	their	PRON
eurjchem-2045	197	27	site	site	NOUN
eurjchem-2045	197	28	,	,	PUNCT
eurjchem-2045	197	29	while	while	SCONJ
eurjchem-2045	197	30	o	o	NOUN
eurjchem-2045	197	31	-	-	NOUN
eurjchem-2045	197	32	o	o	X
eurjchem-2045	197	33	(	(	PUNCT
eurjchem-2045	197	34	s1	s1	PROPN
eurjchem-2045	197	35	)	)	PUNCT
eurjchem-2045	197	36	and	and	CCONJ
eurjchem-2045	197	37	cr	cr	PROPN
eurjchem-2045	197	38	-	-	PUNCT
eurjchem-2045	197	39	o	o	NOUN
eurjchem-2045	197	40	(	(	PUNCT
eurjchem-2045	197	41	s1	s1	NOUN
eurjchem-2045	197	42	)	)	PUNCT
eurjchem-2045	197	43	would	would	AUX
eurjchem-2045	197	44	yield	yield	VERB
eurjchem-2045	197	45	less	less	ADV
eurjchem-2045	197	46	stable	stable	ADJ
eurjchem-2045	197	47	species	specie	NOUN
eurjchem-2045	197	48	,	,	PUNCT
eurjchem-2045	197	49	as	as	SCONJ
eurjchem-2045	197	50	shown	show	VERB
eurjchem-2045	197	51	in	in	ADP
eurjchem-2045	197	52	figures	figure	NOUN
eurjchem-2045	197	53	7	7	NUM
eurjchem-2045	197	54	and	and	CCONJ
eurjchem-2045	197	55	8	8	NUM
eurjchem-2045	197	56	.	.	PUNCT
eurjchem-2045	198	1	as	as	SCONJ
eurjchem-2045	198	2	the	the	DET
eurjchem-2045	198	3	hydrogen	hydrogen	NOUN
eurjchem-2045	198	4	gets	get	AUX
eurjchem-2045	198	5	diffused	diffuse	VERB
eurjchem-2045	198	6	to	to	ADP
eurjchem-2045	198	7	another	another	DET
eurjchem-2045	198	8	site	site	NOUN
eurjchem-2045	198	9	on	on	ADP
eurjchem-2045	198	10	the	the	DET
eurjchem-2045	198	11	catalyst	catalyst	NOUN
eurjchem-2045	198	12	,	,	PUNCT
eurjchem-2045	198	13	it	it	PRON
eurjchem-2045	198	14	was	be	AUX
eurjchem-2045	198	15	observed	observe	VERB
eurjchem-2045	198	16	that	that	SCONJ
eurjchem-2045	198	17	the	the	DET
eurjchem-2045	198	18	negativity	negativity	NOUN
eurjchem-2045	198	19	of	of	ADP
eurjchem-2045	198	20	the	the	DET
eurjchem-2045	198	21	species	specie	NOUN
eurjchem-2045	198	22	’	'	PUNCT
eurjchem-2045	198	23	energy	energy	NOUN
eurjchem-2045	198	24	increases	increase	NOUN
eurjchem-2045	198	25	for	for	ADP
eurjchem-2045	198	26	the	the	DET
eurjchem-2045	198	27	different	different	ADJ
eurjchem-2045	198	28	reaction	reaction	NOUN
eurjchem-2045	198	29	pathways	pathway	NOUN
eurjchem-2045	198	30	studied	study	VERB
eurjchem-2045	198	31	.	.	PUNCT
eurjchem-2045	199	1	this	this	DET
eurjchem-2045	199	2	observation	observation	NOUN
eurjchem-2045	199	3	implies	imply	VERB
eurjchem-2045	199	4	an	an	DET
eurjchem-2045	199	5	increase	increase	NOUN
eurjchem-2045	199	6	in	in	ADP
eurjchem-2045	199	7	the	the	DET
eurjchem-2045	199	8	stability	stability	NOUN
eurjchem-2045	199	9	of	of	ADP
eurjchem-2045	199	10	the	the	DET
eurjchem-2045	199	11	species	specie	NOUN
eurjchem-2045	199	12	across	across	ADP
eurjchem-2045	199	13	the	the	DET
eurjchem-2045	199	14	different	different	ADJ
eurjchem-2045	199	15	reaction	reaction	NOUN
eurjchem-2045	199	16	routes	route	NOUN
eurjchem-2045	199	17	studied	study	VERB
eurjchem-2045	199	18	.	.	PUNCT
eurjchem-2045	200	1	likewise	likewise	ADV
eurjchem-2045	200	2	,	,	PUNCT
eurjchem-2045	200	3	the	the	DET
eurjchem-2045	200	4	second	second	ADJ
eurjchem-2045	200	5	abstraction	abstraction	NOUN
eurjchem-2045	200	6	step	step	NOUN
eurjchem-2045	200	7	for	for	ADP
eurjchem-2045	200	8	the	the	DET
eurjchem-2045	200	9	removal	removal	NOUN
eurjchem-2045	200	10	of	of	ADP
eurjchem-2045	200	11	hydrogen	hydrogen	NOUN
eurjchem-2045	200	12	from	from	ADP
eurjchem-2045	200	13	the	the	DET
eurjchem-2045	200	14	isopropyl(s	isopropyl(	NOUN
eurjchem-2045	200	15	)	)	PUNCT
eurjchem-2045	200	16	was	be	AUX
eurjchem-2045	200	17	studied	study	VERB
eurjchem-2045	200	18	to	to	PART
eurjchem-2045	200	19	identify	identify	VERB
eurjchem-2045	200	20	the	the	DET
eurjchem-2045	200	21	trend	trend	NOUN
eurjchem-2045	200	22	of	of	ADP
eurjchem-2045	200	23	the	the	DET
eurjchem-2045	200	24	energy	energy	NOUN
eurjchem-2045	200	25	barrier	barrier	NOUN
eurjchem-2045	200	26	obtainable	obtainable	ADJ
eurjchem-2045	200	27	across	across	ADP
eurjchem-2045	200	28	different	different	ADJ
eurjchem-2045	200	29	reaction	reaction	NOUN
eurjchem-2045	200	30	route	route	NOUN
eurjchem-2045	200	31	as	as	SCONJ
eurjchem-2045	200	32	shown	show	VERB
eurjchem-2045	200	33	in	in	ADP
eurjchem-2045	200	34	figures	figure	NOUN
eurjchem-2045	200	35	7	7	NUM
eurjchem-2045	200	36	and	and	CCONJ
eurjchem-2045	200	37	8	8	NUM
eurjchem-2045	200	38	,	,	PUNCT
eurjchem-2045	200	39	where	where	SCONJ
eurjchem-2045	200	40	it	it	PRON
eurjchem-2045	200	41	was	be	AUX
eurjchem-2045	200	42	identified	identify	VERB
eurjchem-2045	200	43	that	that	SCONJ
eurjchem-2045	200	44	the	the	DET
eurjchem-2045	200	45	cr	cr	PROPN
eurjchem-2045	200	46	-	-	PUNCT
eurjchem-2045	200	47	o	o	PROPN
eurjchem-2045	200	48	(	(	PUNCT
eurjchem-2045	200	49	s2	s2	PROPN
eurjchem-2045	200	50	)	)	PUNCT
eurjchem-2045	200	51	(	(	PUNCT
eurjchem-2045	200	52	figure	figure	VERB
eurjchem-2045	200	53	7	7	NUM
eurjchem-2045	200	54	)	)	PUNCT
eurjchem-2045	200	55	reaction	reaction	NOUN
eurjchem-2045	200	56	route	route	NOUN
eurjchem-2045	200	57	displayed	display	VERB
eurjchem-2045	200	58	the	the	DET
eurjchem-2045	200	59	highest	high	ADJ
eurjchem-2045	200	60	energy	energy	NOUN
eurjchem-2045	200	61	barrier	barrier	NOUN
eurjchem-2045	200	62	.	.	PUNCT
eurjchem-2045	201	1	at	at	ADP
eurjchem-2045	201	2	the	the	DET
eurjchem-2045	201	3	same	same	ADJ
eurjchem-2045	201	4	time	time	NOUN
eurjchem-2045	201	5	,	,	PUNCT
eurjchem-2045	201	6	the	the	DET
eurjchem-2045	201	7	o	o	NOUN
eurjchem-2045	201	8	-	-	NOUN
eurjchem-2045	201	9	o	o	X
eurjchem-2045	201	10	(	(	PUNCT
eurjchem-2045	201	11	s1	s1	PROPN
eurjchem-2045	201	12	)	)	PUNCT
eurjchem-2045	201	13	(	(	PUNCT
eurjchem-2045	201	14	figure	figure	NOUN
eurjchem-2045	201	15	8)	8)	NUM
eurjchem-2045	201	16	and	and	CCONJ
eurjchem-2045	201	17	cr	cr	NOUN
eurjchem-2045	201	18	-	-	PUNCT
eurjchem-2045	201	19	o	o	PROPN
eurjchem-2045	201	20	(	(	PUNCT
eurjchem-2045	201	21	s1	s1	PROPN
eurjchem-2045	201	22	)	)	PUNCT
eurjchem-2045	201	23	(	(	PUNCT
eurjchem-2045	201	24	figure	figure	NOUN
eurjchem-2045	201	25	7	7	NUM
eurjchem-2045	201	26	)	)	PUNCT
eurjchem-2045	201	27	were	be	AUX
eurjchem-2045	201	28	found	find	VERB
eurjchem-2045	201	29	to	to	PART
eurjchem-2045	201	30	record	record	VERB
eurjchem-2045	201	31	the	the	DET
eurjchem-2045	201	32	least	least	ADJ
eurjchem-2045	201	33	energy	energy	NOUN
eurjchem-2045	201	34	barriers	barrier	NOUN
eurjchem-2045	201	35	for	for	ADP
eurjchem-2045	201	36	the	the	DET
eurjchem-2045	201	37	step	step	NOUN
eurjchem-2045	201	38	.	.	PUNCT
eurjchem-2045	202	1	in	in	ADP
eurjchem-2045	202	2	the	the	DET
eurjchem-2045	202	3	study	study	NOUN
eurjchem-2045	202	4	of	of	ADP
eurjchem-2045	202	5	the	the	DET
eurjchem-2045	202	6	desorption	desorption	NOUN
eurjchem-2045	202	7	step	step	NOUN
eurjchem-2045	202	8	in	in	ADP
eurjchem-2045	202	9	the	the	DET
eurjchem-2045	202	10	energy	energy	NOUN
eurjchem-2045	202	11	profile	profile	NOUN
eurjchem-2045	202	12	,	,	PUNCT
eurjchem-2045	202	13	it	it	PRON
eurjchem-2045	202	14	was	be	AUX
eurjchem-2045	202	15	observed	observe	VERB
eurjchem-2045	202	16	that	that	SCONJ
eurjchem-2045	202	17	the	the	DET
eurjchem-2045	202	18	adsorbed	adsorb	VERB
eurjchem-2045	202	19	propylene	propylene	NOUN
eurjchem-2045	202	20	and	and	CCONJ
eurjchem-2045	202	21	hydrogen	hydrogen	NOUN
eurjchem-2045	202	22	exhibit	exhibit	VERB
eurjchem-2045	202	23	more	more	ADV
eurjchem-2045	202	24	negative	negative	ADJ
eurjchem-2045	202	25	energy	energy	NOUN
eurjchem-2045	202	26	across	across	ADP
eurjchem-2045	202	27	cr	cr	PROPN
eurjchem-2045	202	28	-	-	PUNCT
eurjchem-2045	202	29	cr	cr	PROPN
eurjchem-2045	202	30	(	(	PUNCT
eurjchem-2045	202	31	-1.21	-1.21	PROPN
eurjchem-2045	202	32	ev	ev	X
eurjchem-2045	202	33	)	)	PUNCT
eurjchem-2045	202	34	compared	compare	VERB
eurjchem-2045	202	35	to	to	ADP
eurjchem-2045	202	36	cr	cr	PROPN
eurjchem-2045	202	37	-	-	PUNCT
eurjchem-2045	202	38	o	o	X
eurjchem-2045	202	39	(	(	PUNCT
eurjchem-2045	202	40	-1.14	-1.14	NOUN
eurjchem-2045	202	41	ev	ev	NOUN
eurjchem-2045	202	42	)	)	PUNCT
eurjchem-2045	202	43	sites	site	NOUN
eurjchem-2045	202	44	in	in	ADP
eurjchem-2045	202	45	figure	figure	NOUN
eurjchem-2045	202	46	7	7	NUM
eurjchem-2045	202	47	.	.	PUNCT
eurjchem-2045	203	1	in	in	ADP
eurjchem-2045	203	2	the	the	DET
eurjchem-2045	203	3	case	case	NOUN
eurjchem-2045	203	4	of	of	ADP
eurjchem-2045	203	5	the	the	DET
eurjchem-2045	203	6	o	o	NOUN
eurjchem-2045	203	7	-	-	NOUN
eurjchem-2045	203	8	cr	cr	PROPN
eurjchem-2045	203	9	(	(	PUNCT
eurjchem-2045	203	10	-1.19	-1.19	NOUN
eurjchem-2045	203	11	ev	ev	ADJ
eurjchem-2045	203	12	)	)	PUNCT
eurjchem-2045	203	13	and	and	CCONJ
eurjchem-2045	203	14	o	o	NOUN
eurjchem-2045	203	15	-	-	PROPN
eurjchem-2045	203	16	o	o	X
eurjchem-2045	203	17	(	(	PUNCT
eurjchem-2045	203	18	-1.19	-1.19	ADP
eurjchem-2045	203	19	ev	ev	NOUN
eurjchem-2045	203	20	)	)	PUNCT
eurjchem-2045	203	21	sites	site	NOUN
eurjchem-2045	203	22	in	in	ADP
eurjchem-2045	203	23	figure	figure	NOUN
eurjchem-2045	203	24	7	7	NUM
eurjchem-2045	203	25	,	,	PUNCT
eurjchem-2045	203	26	the	the	DET
eurjchem-2045	203	27	desorption	desorption	NOUN
eurjchem-2045	203	28	steps	step	NOUN
eurjchem-2045	203	29	were	be	AUX
eurjchem-2045	203	30	found	find	VERB
eurjchem-2045	203	31	to	to	PART
eurjchem-2045	203	32	have	have	VERB
eurjchem-2045	203	33	a	a	DET
eurjchem-2045	203	34	little	little	ADJ
eurjchem-2045	203	35	less	less	ADV
eurjchem-2045	203	36	negative	negative	ADJ
eurjchem-2045	203	37	energy	energy	NOUN
eurjchem-2045	203	38	when	when	SCONJ
eurjchem-2045	203	39	compared	compare	VERB
eurjchem-2045	203	40	to	to	ADP
eurjchem-2045	203	41	the	the	DET
eurjchem-2045	203	42	cr	cr	PROPN
eurjchem-2045	203	43	-	-	PUNCT
eurjchem-2045	203	44	cr	cr	PROPN
eurjchem-2045	203	45	sites	site	NOUN
eurjchem-2045	203	46	(	(	PUNCT
eurjchem-2045	203	47	which	which	PRON
eurjchem-2045	203	48	was	be	AUX
eurjchem-2045	203	49	found	find	VERB
eurjchem-2045	203	50	to	to	PART
eurjchem-2045	203	51	be	be	AUX
eurjchem-2045	203	52	more	more	ADV
eurjchem-2045	203	53	negative	negative	ADJ
eurjchem-2045	203	54	)	)	PUNCT
eurjchem-2045	203	55	.	.	PUNCT
eurjchem-2045	204	1	these	these	DET
eurjchem-2045	204	2	findings	finding	NOUN
eurjchem-2045	204	3	indicate	indicate	VERB
eurjchem-2045	204	4	that	that	SCONJ
eurjchem-2045	204	5	the	the	DET
eurjchem-2045	204	6	propylene	propylene	NOUN
eurjchem-2045	204	7	and	and	CCONJ
eurjchem-2045	204	8	hydrogen	hydrogen	NOUN
eurjchem-2045	204	9	would	would	AUX
eurjchem-2045	204	10	be	be	AUX
eurjchem-2045	204	11	more	more	ADV
eurjchem-2045	204	12	stable	stable	ADJ
eurjchem-2045	204	13	on	on	ADP
eurjchem-2045	204	14	cr	cr	PROPN
eurjchem-2045	204	15	-	-	PUNCT
eurjchem-2045	204	16	cr	cr	PROPN
eurjchem-2045	204	17	than	than	ADP
eurjchem-2045	204	18	other	other	ADJ
eurjchem-2045	204	19	sites	site	NOUN
eurjchem-2045	204	20	.	.	PUNCT
eurjchem-2045	205	1	moreover	moreover	ADV
eurjchem-2045	205	2	,	,	PUNCT
eurjchem-2045	205	3	it	it	PRON
eurjchem-2045	205	4	can	can	AUX
eurjchem-2045	205	5	be	be	AUX
eurjchem-2045	205	6	said	say	VERB
eurjchem-2045	205	7	that	that	SCONJ
eurjchem-2045	205	8	there	there	PRON
eurjchem-2045	205	9	would	would	AUX
eurjchem-2045	205	10	exist	exist	VERB
eurjchem-2045	205	11	a	a	DET
eurjchem-2045	205	12	strong	strong	ADJ
eurjchem-2045	205	13	binding	bind	VERB
eurjchem-2045	205	14	force	force	NOUN
eurjchem-2045	205	15	on	on	ADP
eurjchem-2045	205	16	the	the	DET
eurjchem-2045	205	17	cr	cr	PROPN
eurjchem-2045	205	18	-	-	PUNCT
eurjchem-2045	205	19	cr	cr	PROPN
eurjchem-2045	205	20	site	site	NOUN
eurjchem-2045	205	21	,	,	PUNCT
eurjchem-2045	205	22	while	while	SCONJ
eurjchem-2045	205	23	cr	cr	PROPN
eurjchem-2045	205	24	-	-	PUNCT
eurjchem-2045	205	25	o	o	NOUN
eurjchem-2045	205	26	showed	show	VERB
eurjchem-2045	205	27	the	the	DET
eurjchem-2045	205	28	weakest	weak	ADJ
eurjchem-2045	205	29	binding	bind	VERB
eurjchem-2045	205	30	force	force	NOUN
eurjchem-2045	205	31	.	.	PUNCT
eurjchem-2045	206	1	the	the	DET
eurjchem-2045	206	2	weaker	weak	ADJ
eurjchem-2045	206	3	binding	bind	VERB
eurjchem-2045	206	4	force	force	NOUN
eurjchem-2045	206	5	would	would	AUX
eurjchem-2045	206	6	make	make	VERB
eurjchem-2045	206	7	hydrogen	hydrogen	NOUN
eurjchem-2045	206	8	and	and	CCONJ
eurjchem-2045	206	9	propylene	propylene	NOUN
eurjchem-2045	206	10	desorption	desorption	NOUN
eurjchem-2045	206	11	across	across	ADP
eurjchem-2045	206	12	the	the	DET
eurjchem-2045	206	13	cr	cr	NOUN
eurjchem-2045	206	14	-	-	PUNCT
eurjchem-2045	206	15	o	o	NOUN
eurjchem-2045	206	16	sites	site	NOUN
eurjchem-2045	206	17	less	less	ADJ
eurjchem-2045	206	18	energy	energy	NOUN
eurjchem-2045	206	19	-	-	PUNCT
eurjchem-2045	206	20	demanding	demand	VERB
eurjchem-2045	206	21	than	than	ADP
eurjchem-2045	206	22	the	the	DET
eurjchem-2045	206	23	cr	cr	PROPN
eurjchem-2045	206	24	-	-	PUNCT
eurjchem-2045	206	25	cr	cr	PROPN
eurjchem-2045	206	26	site	site	NOUN
eurjchem-2045	206	27	.	.	PUNCT
eurjchem-2045	207	1	this	this	DET
eurjchem-2045	207	2	deduction	deduction	NOUN
eurjchem-2045	207	3	further	far	ADV
eurjchem-2045	207	4	indicates	indicate	VERB
eurjchem-2045	207	5	that	that	SCONJ
eurjchem-2045	207	6	the	the	PRON
eurjchem-2045	207	7	more	more	ADV
eurjchem-2045	207	8	the	the	DET
eurjchem-2045	207	9	catalyst	catalyst	NOUN
eurjchem-2045	207	10	surface	surface	NOUN
eurjchem-2045	207	11	gets	get	VERB
eurjchem-2045	207	12	more	more	ADJ
eurjchem-2045	207	13	concentrated/	concentrated/	NUM
eurjchem-2045	207	14	largely	largely	ADV
eurjchem-2045	207	15	dominated	dominate	VERB
eurjchem-2045	207	16	by	by	ADP
eurjchem-2045	207	17	the	the	DET
eurjchem-2045	207	18	cr	cr	PROPN
eurjchem-2045	207	19	site	site	PROPN
eurjchem-2045	207	20	,	,	PUNCT
eurjchem-2045	207	21	the	the	PRON
eurjchem-2045	207	22	more	more	ADV
eurjchem-2045	207	23	difficult	difficult	ADJ
eurjchem-2045	207	24	it	it	PRON
eurjchem-2045	207	25	would	would	AUX
eurjchem-2045	207	26	be	be	AUX
eurjchem-2045	207	27	to	to	PART
eurjchem-2045	207	28	have	have	VERB
eurjchem-2045	207	29	propylene	propylene	NOUN
eurjchem-2045	207	30	desorbed	desorb	VERB
eurjchem-2045	207	31	from	from	ADP
eurjchem-2045	207	32	the	the	DET
eurjchem-2045	207	33	catalyst	catalyst	NOUN
eurjchem-2045	207	34	surface	surface	NOUN
eurjchem-2045	207	35	;	;	PUNCT
eurjchem-2045	207	36	instead	instead	ADV
eurjchem-2045	207	37	,	,	PUNCT
eurjchem-2045	207	38	it	it	PRON
eurjchem-2045	207	39	would	would	AUX
eurjchem-2045	207	40	promote	promote	VERB
eurjchem-2045	207	41	deep	deep	ADJ
eurjchem-2045	207	42	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	207	43	to	to	PART
eurjchem-2045	207	44	produce	produce	VERB
eurjchem-2045	207	45	undesired	undesired	ADJ
eurjchem-2045	207	46	products	product	NOUN
eurjchem-2045	207	47	like	like	ADP
eurjchem-2045	207	48	propyne	propyne	NOUN
eurjchem-2045	207	49	.	.	PUNCT
eurjchem-2045	208	1	this	this	DET
eurjchem-2045	208	2	study	study	NOUN
eurjchem-2045	208	3	,	,	PUNCT
eurjchem-2045	208	4	therefore	therefore	ADV
eurjchem-2045	208	5	,	,	PUNCT
eurjchem-2045	208	6	suggests	suggest	VERB
eurjchem-2045	208	7	the	the	DET
eurjchem-2045	208	8	substitution	substitution	NOUN
eurjchem-2045	208	9	of	of	ADP
eurjchem-2045	208	10	cr	cr	PROPN
eurjchem-2045	208	11	site	site	NOUN
eurjchem-2045	208	12	with	with	ADP
eurjchem-2045	208	13	possibly	possibly	ADV
eurjchem-2045	208	14	new	new	ADJ
eurjchem-2045	208	15	metals	metal	NOUN
eurjchem-2045	208	16	or	or	CCONJ
eurjchem-2045	208	17	the	the	DET
eurjchem-2045	208	18	intro	intro	NOUN
eurjchem-2045	208	19	-	-	PUNCT
eurjchem-2045	208	20	duction	duction	NOUN
eurjchem-2045	208	21	of	of	ADP
eurjchem-2045	208	22	oxidants	oxidant	NOUN
eurjchem-2045	208	23	as	as	ADP
eurjchem-2045	208	24	a	a	DET
eurjchem-2045	208	25	way	way	NOUN
eurjchem-2045	208	26	of	of	ADP
eurjchem-2045	208	27	aiding	aid	VERB
eurjchem-2045	208	28	to	to	PART
eurjchem-2045	208	29	prevent	prevent	VERB
eurjchem-2045	208	30	deep	deep	ADJ
eurjchem-2045	208	31	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	208	32	(	(	PUNCT
eurjchem-2045	208	33	or	or	CCONJ
eurjchem-2045	208	34	propylene	propylene	NOUN
eurjchem-2045	208	35	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	208	36	)	)	PUNCT
eurjchem-2045	208	37	in	in	ADP
eurjchem-2045	208	38	the	the	DET
eurjchem-2045	208	39	conversion	conversion	NOUN
eurjchem-2045	208	40	of	of	ADP
eurjchem-2045	208	41	propane	propane	NOUN
eurjchem-2045	208	42	to	to	ADP
eurjchem-2045	208	43	propylene	propylene	NOUN
eurjchem-2045	208	44	,	,	PUNCT
eurjchem-2045	208	45	which	which	PRON
eurjchem-2045	208	46	was	be	AUX
eurjchem-2045	208	47	similar	similar	ADJ
eurjchem-2045	208	48	to	to	ADP
eurjchem-2045	208	49	sattler	sattler	PROPN
eurjchem-2045	208	50	et	et	PROPN
eurjchem-2045	208	51	al	al	PROPN
eurjchem-2045	208	52	.	.	PUNCT
eurjchem-2045	209	1	[	[	X
eurjchem-2045	209	2	37	37	NUM
eurjchem-2045	209	3	]	]	PUNCT
eurjchem-2045	209	4	suggestion	suggestion	NOUN
eurjchem-2045	209	5	of	of	ADP
eurjchem-2045	209	6	adjusting	adjust	VERB
eurjchem-2045	209	7	catalyst	catalyst	NOUN
eurjchem-2045	209	8	composition	composition	NOUN
eurjchem-2045	209	9	or	or	CCONJ
eurjchem-2045	209	10	operating	operating	NOUN
eurjchem-2045	209	11	conditions	condition	NOUN
eurjchem-2045	209	12	.	.	PUNCT
eurjchem-2045	210	1	additionally	additionally	ADV
eurjchem-2045	210	2	,	,	PUNCT
eurjchem-2045	210	3	chaowei	chaowei	NOUN
eurjchem-2045	210	4	et	et	PROPN
eurjchem-2045	210	5	al	al	PROPN
eurjchem-2045	210	6	.	.	PUNCT
eurjchem-2045	211	1	[	[	X
eurjchem-2045	211	2	38	38	NUM
eurjchem-2045	211	3	]	]	PUNCT
eurjchem-2045	211	4	suggest	suggest	VERB
eurjchem-2045	211	5	the	the	DET
eurjchem-2045	211	6	option	option	NOUN
eurjchem-2045	211	7	of	of	ADP
eurjchem-2045	211	8	introducing	introduce	VERB
eurjchem-2045	211	9	vacancy	vacancy	NOUN
eurjchem-2045	211	10	sites	site	NOUN
eurjchem-2045	211	11	on	on	ADP
eurjchem-2045	211	12	the	the	DET
eurjchem-2045	211	13	catalyst	catalyst	NOUN
eurjchem-2045	211	14	.	.	PUNCT
eurjchem-2045	212	1	the	the	DET
eurjchem-2045	212	2	activity	activity	NOUN
eurjchem-2045	212	3	of	of	ADP
eurjchem-2045	212	4	cr	cr	PROPN
eurjchem-2045	212	5	sites	site	NOUN
eurjchem-2045	212	6	in	in	ADP
eurjchem-2045	212	7	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	212	8	to	to	PART
eurjchem-2045	212	9	be	be	AUX
eurjchem-2045	212	10	highly	highly	ADV
eurjchem-2045	212	11	significant	significant	ADJ
eurjchem-2045	212	12	vigorously	vigorously	ADV
eurjchem-2045	212	13	promoting	promote	VERB
eurjchem-2045	212	14	hydrogen	hydrogen	NOUN
eurjchem-2045	212	15	abstraction	abstraction	NOUN
eurjchem-2045	212	16	.	.	PUNCT
eurjchem-2045	213	1	however	however	ADV
eurjchem-2045	213	2	,	,	PUNCT
eurjchem-2045	213	3	if	if	SCONJ
eurjchem-2045	213	4	the	the	DET
eurjchem-2045	213	5	cr	cr	NOUN
eurjchem-2045	213	6	activity	activity	NOUN
eurjchem-2045	213	7	is	be	AUX
eurjchem-2045	213	8	not	not	PART
eurjchem-2045	213	9	moderated	moderate	VERB
eurjchem-2045	213	10	,	,	PUNCT
eurjchem-2045	213	11	it	it	PRON
eurjchem-2045	213	12	can	can	AUX
eurjchem-2045	213	13	promote	promote	VERB
eurjchem-2045	213	14	undesired	undesired	ADJ
eurjchem-2045	213	15	products	product	NOUN
eurjchem-2045	213	16	through	through	ADP
eurjchem-2045	213	17	deep	deep	ADJ
eurjchem-2045	213	18	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	213	19	process	process	NOUN
eurjchem-2045	213	20	.	.	PUNCT
eurjchem-2045	214	1	the	the	DET
eurjchem-2045	214	2	deduction	deduction	NOUN
eurjchem-2045	214	3	agrees	agree	VERB
eurjchem-2045	214	4	with	with	ADP
eurjchem-2045	214	5	the	the	DET
eurjchem-2045	214	6	report	report	NOUN
eurjchem-2045	214	7	of	of	ADP
eurjchem-2045	214	8	adam	adam	PROPN
eurjchem-2045	214	9	et	et	PROPN
eurjchem-2045	214	10	al	al	PROPN
eurjchem-2045	214	11	.	.	PUNCT
eurjchem-2045	215	1	[	[	X
eurjchem-2045	215	2	39	39	NUM
eurjchem-2045	215	3	]	]	PUNCT
eurjchem-2045	215	4	,	,	PUNCT
eurjchem-2045	215	5	which	which	PRON
eurjchem-2045	215	6	indicated	indicate	VERB
eurjchem-2045	215	7	that	that	SCONJ
eurjchem-2045	215	8	the	the	DET
eurjchem-2045	215	9	catalyst	catalyst	NOUN
eurjchem-2045	215	10	activity	activity	NOUN
eurjchem-2045	215	11	decreases	decrease	VERB
eurjchem-2045	215	12	with	with	ADP
eurjchem-2045	215	13	a	a	DET
eurjchem-2045	215	14	rise	rise	NOUN
eurjchem-2045	215	15	in	in	ADP
eurjchem-2045	215	16	total	total	ADJ
eurjchem-2045	215	17	cr	cr	PROPN
eurjchem-2045	215	18	content	content	NOUN
eurjchem-2045	215	19	of	of	ADP
eurjchem-2045	215	20	the	the	DET
eurjchem-2045	215	21	catalyst	catalyst	NOUN
eurjchem-2045	215	22	and	and	CCONJ
eurjchem-2045	215	23	that	that	SCONJ
eurjchem-2045	215	24	cr	cr	PROPN
eurjchem-2045	215	25	site	site	NOUN
eurjchem-2045	215	26	is	be	AUX
eurjchem-2045	215	27	a	a	DET
eurjchem-2045	215	28	crucial	crucial	ADJ
eurjchem-2045	215	29	one	one	NUM
eurjchem-2045	215	30	which	which	PRON
eurjchem-2045	215	31	calls	call	VERB
eurjchem-2045	215	32	for	for	ADP
eurjchem-2045	215	33	depopulation	depopulation	NOUN
eurjchem-2045	215	34	of	of	ADP
eurjchem-2045	215	35	cr	cr	PROPN
eurjchem-2045	215	36	site	site	NOUN
eurjchem-2045	215	37	as	as	ADP
eurjchem-2045	215	38	a	a	DET
eurjchem-2045	215	39	possible	possible	ADJ
eurjchem-2045	215	40	way	way	NOUN
eurjchem-2045	215	41	of	of	ADP
eurjchem-2045	215	42	moderating	moderate	VERB
eurjchem-2045	215	43	its	its	PRON
eurjchem-2045	215	44	activity	activity	NOUN
eurjchem-2045	215	45	.	.	PUNCT
eurjchem-2045	216	1	moreover	moreover	ADV
eurjchem-2045	216	2	,	,	PUNCT
eurjchem-2045	216	3	the	the	DET
eurjchem-2045	216	4	findings	finding	NOUN
eurjchem-2045	216	5	from	from	ADP
eurjchem-2045	216	6	the	the	DET
eurjchem-2045	216	7	collective	collective	ADJ
eurjchem-2045	216	8	study	study	NOUN
eurjchem-2045	216	9	of	of	ADP
eurjchem-2045	216	10	the	the	DET
eurjchem-2045	216	11	reaction	reaction	NOUN
eurjchem-2045	216	12	barriers	barrier	NOUN
eurjchem-2045	216	13	involved	involve	VERB
eurjchem-2045	216	14	in	in	ADP
eurjchem-2045	216	15	the	the	DET
eurjchem-2045	216	16	different	different	ADJ
eurjchem-2045	216	17	reaction	reaction	NOUN
eurjchem-2045	216	18	routes	route	NOUN
eurjchem-2045	216	19	unveil	unveil	VERB
eurjchem-2045	216	20	that	that	SCONJ
eurjchem-2045	216	21	the	the	DET
eurjchem-2045	216	22	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	216	23	of	of	ADP
eurjchem-2045	216	24	propane	propane	NOUN
eurjchem-2045	216	25	into	into	ADP
eurjchem-2045	216	26	propylene	propylene	NOUN
eurjchem-2045	216	27	across	across	ADP
eurjchem-2045	216	28	the	the	DET
eurjchem-2045	216	29	path	path	NOUN
eurjchem-2045	216	30	of	of	ADP
eurjchem-2045	216	31	o	o	PROPN
eurjchem-2045	216	32	-	-	NOUN
eurjchem-2045	216	33	o	o	NOUN
eurjchem-2045	216	34	and	and	CCONJ
eurjchem-2045	216	35	o	o	NOUN
eurjchem-2045	216	36	-	-	PUNCT
eurjchem-2045	216	37	cr	cr	NOUN
eurjchem-2045	216	38	sites	site	NOUN
eurjchem-2045	216	39	would	would	AUX
eurjchem-2045	216	40	be	be	AUX
eurjchem-2045	216	41	less	less	ADV
eurjchem-2045	216	42	feasible	feasible	ADJ
eurjchem-2045	216	43	from	from	ADP
eurjchem-2045	216	44	the	the	DET
eurjchem-2045	216	45	thermodynamics	thermodynamic	NOUN
eurjchem-2045	216	46	point	point	NOUN
eurjchem-2045	216	47	of	of	ADP
eurjchem-2045	216	48	view	view	NOUN
eurjchem-2045	216	49	,	,	PUNCT
eurjchem-2045	216	50	due	due	ADP
eurjchem-2045	216	51	to	to	ADP
eurjchem-2045	216	52	the	the	DET
eurjchem-2045	216	53	higher	high	ADJ
eurjchem-2045	216	54	barriers	barrier	NOUN
eurjchem-2045	216	55	present	present	ADJ
eurjchem-2045	216	56	along	along	ADP
eurjchem-2045	216	57	its	its	PRON
eurjchem-2045	216	58	reaction	reaction	NOUN
eurjchem-2045	216	59	path	path	NOUN
eurjchem-2045	216	60	.	.	PUNCT
eurjchem-2045	217	1	unlike	unlike	ADP
eurjchem-2045	217	2	the	the	DET
eurjchem-2045	217	3	other	other	ADJ
eurjchem-2045	217	4	paths	path	NOUN
eurjchem-2045	217	5	like	like	ADP
eurjchem-2045	217	6	crcr	crcr	ADV
eurjchem-2045	217	7	and	and	CCONJ
eurjchem-2045	217	8	cr	cr	NOUN
eurjchem-2045	217	9	-	-	PUNCT
eurjchem-2045	217	10	o	o	NOUN
eurjchem-2045	217	11	sites	site	NOUN
eurjchem-2045	217	12	,	,	PUNCT
eurjchem-2045	217	13	which	which	PRON
eurjchem-2045	217	14	displayed	display	VERB
eurjchem-2045	217	15	much	much	ADV
eurjchem-2045	217	16	lower	low	ADJ
eurjchem-2045	217	17	energy	energy	NOUN
eurjchem-2045	217	18	barriers	barrier	NOUN
eurjchem-2045	217	19	along	along	ADP
eurjchem-2045	217	20	their	their	PRON
eurjchem-2045	217	21	path	path	NOUN
eurjchem-2045	217	22	,	,	PUNCT
eurjchem-2045	217	23	making	make	VERB
eurjchem-2045	217	24	the	the	DET
eurjchem-2045	217	25	path	path	NOUN
eurjchem-2045	217	26	more	more	ADV
eurjchem-2045	217	27	feasible	feasible	ADJ
eurjchem-2045	217	28	energetically	energetically	ADV
eurjchem-2045	217	29	in	in	ADP
eurjchem-2045	217	30	general	general	ADJ
eurjchem-2045	217	31	.	.	PUNCT
eurjchem-2045	218	1	this	this	DET
eurjchem-2045	218	2	cr	cr	PROPN
eurjchem-2045	218	3	-	-	PUNCT
eurjchem-2045	218	4	cr	cr	PROPN
eurjchem-2045	218	5	(	(	PUNCT
eurjchem-2045	218	6	s1	s1	PROPN
eurjchem-2045	218	7	)	)	PUNCT
eurjchem-2045	218	8	path	path	NOUN
eurjchem-2045	218	9	is	be	AUX
eurjchem-2045	218	10	well	well	ADV
eurjchem-2045	218	11	known	know	VERB
eurjchem-2045	218	12	for	for	ADP
eurjchem-2045	218	13	promoting	promote	VERB
eurjchem-2045	218	14	deep	deep	ADJ
eurjchem-2045	218	15	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	218	16	and	and	CCONJ
eurjchem-2045	218	17	higher	high	ADJ
eurjchem-2045	218	18	product	product	NOUN
eurjchem-2045	218	19	desorption	desorption	NOUN
eurjchem-2045	218	20	,	,	PUNCT
eurjchem-2045	218	21	which	which	PRON
eurjchem-2045	218	22	would	would	AUX
eurjchem-2045	218	23	later	later	ADV
eurjchem-2045	218	24	result	result	VERB
eurjchem-2045	218	25	in	in	ADP
eurjchem-2045	218	26	undesired	undesired	ADJ
eurjchem-2045	218	27	products	product	NOUN
eurjchem-2045	218	28	,	,	PUNCT
eurjchem-2045	218	29	while	while	SCONJ
eurjchem-2045	218	30	the	the	DET
eurjchem-2045	218	31	cr	cr	PROPN
eurjchem-2045	218	32	-	-	PUNCT
eurjchem-2045	218	33	o	o	PROPN
eurjchem-2045	218	34	(	(	PUNCT
eurjchem-2045	218	35	s1	s1	NOUN
eurjchem-2045	218	36	)	)	PUNCT
eurjchem-2045	218	37	was	be	AUX
eurjchem-2045	218	38	found	find	VERB
eurjchem-2045	218	39	to	to	PART
eurjchem-2045	218	40	be	be	AUX
eurjchem-2045	218	41	primarily	primarily	ADV
eurjchem-2045	218	42	promoted	promote	VERB
eurjchem-2045	218	43	by	by	ADP
eurjchem-2045	218	44	the	the	DET
eurjchem-2045	218	45	production	production	NOUN
eurjchem-2045	218	46	of	of	ADP
eurjchem-2045	218	47	propylene	propylene	NOUN
eurjchem-2045	218	48	and	and	CCONJ
eurjchem-2045	218	49	lower	low	ADJ
eurjchem-2045	218	50	product	product	NOUN
eurjchem-2045	218	51	desorption	desorption	NOUN
eurjchem-2045	218	52	barrier	barrier	NOUN
eurjchem-2045	218	53	.	.	PUNCT
eurjchem-2045	219	1	likewise	likewise	ADV
eurjchem-2045	219	2	,	,	PUNCT
eurjchem-2045	219	3	the	the	DET
eurjchem-2045	219	4	characteristics	characteristic	NOUN
eurjchem-2045	219	5	deduced	deduce	VERB
eurjchem-2045	219	6	from	from	ADP
eurjchem-2045	219	7	this	this	DET
eurjchem-2045	219	8	study	study	NOUN
eurjchem-2045	219	9	for	for	ADP
eurjchem-2045	219	10	the	the	DET
eurjchem-2045	219	11	cr	cr	PROPN
eurjchem-2045	219	12	-	-	PUNCT
eurjchem-2045	219	13	cr	cr	PROPN
eurjchem-2045	219	14	(	(	PUNCT
eurjchem-2045	219	15	s1	s1	PROPN
eurjchem-2045	219	16	)	)	PUNCT
eurjchem-2045	219	17	path	path	NOUN
eurjchem-2045	219	18	identify	identify	VERB
eurjchem-2045	219	19	it	it	PRON
eurjchem-2045	219	20	as	as	ADP
eurjchem-2045	219	21	a	a	DET
eurjchem-2045	219	22	path	path	NOUN
eurjchem-2045	219	23	that	that	PRON
eurjchem-2045	219	24	promotes	promote	VERB
eurjchem-2045	219	25	deep	deep	ADJ
eurjchem-2045	219	26	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	219	27	through	through	ADP
eurjchem-2045	219	28	its	its	PRON
eurjchem-2045	219	29	stronger	strong	ADJ
eurjchem-2045	219	30	affinity	affinity	NOUN
eurjchem-2045	219	31	for	for	ADP
eurjchem-2045	219	32	surface	surface	NOUN
eurjchem-2045	219	33	species	specie	NOUN
eurjchem-2045	219	34	,	,	PUNCT
eurjchem-2045	219	35	which	which	PRON
eurjchem-2045	219	36	provide	provide	VERB
eurjchem-2045	219	37	insight	insight	NOUN
eurjchem-2045	219	38	into	into	ADP
eurjchem-2045	219	39	why	why	SCONJ
eurjchem-2045	219	40	a	a	DET
eurjchem-2045	219	41	fast	fast	ADJ
eurjchem-2045	219	42	deposit	deposit	NOUN
eurjchem-2045	219	43	of	of	ADP
eurjchem-2045	219	44	coke	coke	PROPN
eurjchem-2045	219	45	on	on	ADP
eurjchem-2045	219	46	the	the	DET
eurjchem-2045	219	47	catalyst	catalyst	NOUN
eurjchem-2045	219	48	surface	surface	NOUN
eurjchem-2045	219	49	and	and	CCONJ
eurjchem-2045	219	50	methane	methane	NOUN
eurjchem-2045	219	51	is	be	AUX
eurjchem-2045	219	52	promoted	promote	VERB
eurjchem-2045	219	53	on	on	ADP
eurjchem-2045	219	54	this	this	DET
eurjchem-2045	219	55	surface	surface	NOUN
eurjchem-2045	219	56	as	as	SCONJ
eurjchem-2045	219	57	reported	report	VERB
eurjchem-2045	219	58	by	by	ADP
eurjchem-2045	219	59	sattler	sattler	PROPN
eurjchem-2045	219	60	et	et	PROPN
eurjchem-2045	219	61	al	al	PROPN
eurjchem-2045	219	62	.	.	PUNCT
eurjchem-2045	220	1	[	[	X
eurjchem-2045	220	2	37	37	NUM
eurjchem-2045	220	3	]	]	PUNCT
eurjchem-2045	220	4	in	in	ADP
eurjchem-2045	220	5	their	their	PRON
eurjchem-2045	220	6	study	study	NOUN
eurjchem-2045	220	7	.	.	PUNCT
eurjchem-2045	221	1	however	however	ADV
eurjchem-2045	221	2	,	,	PUNCT
eurjchem-2045	221	3	the	the	DET
eurjchem-2045	221	4	most	most	ADV
eurjchem-2045	221	5	thermodynamically	thermodynamically	ADV
eurjchem-2045	221	6	possible	possible	ADJ
eurjchem-2045	221	7	reaction	reaction	NOUN
eurjchem-2045	221	8	pathway	pathway	NOUN
eurjchem-2045	221	9	for	for	ADP
eurjchem-2045	221	10	the	the	DET
eurjchem-2045	221	11	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	221	12	of	of	ADP
eurjchem-2045	221	13	propane	propane	NOUN
eurjchem-2045	221	14	into	into	ADP
eurjchem-2045	221	15	propylene	propylene	NOUN
eurjchem-2045	221	16	on	on	ADP
eurjchem-2045	221	17	chromium	chromium	NOUN
eurjchem-2045	221	18	oxide	oxide	NOUN
eurjchem-2045	221	19	was	be	AUX
eurjchem-2045	221	20	found	find	VERB
eurjchem-2045	221	21	to	to	PART
eurjchem-2045	221	22	be	be	AUX
eurjchem-2045	221	23	cr	cr	NOUN
eurjchem-2045	221	24	-	-	PUNCT
eurjchem-2045	221	25	o	o	X
eurjchem-2045	221	26	(	(	PUNCT
eurjchem-2045	221	27	s1	s1	PROPN
eurjchem-2045	221	28	)	)	PUNCT
eurjchem-2045	221	29	due	due	ADP
eurjchem-2045	221	30	to	to	ADP
eurjchem-2045	221	31	its	its	PRON
eurjchem-2045	221	32	lower	low	ADJ
eurjchem-2045	221	33	relative	relative	ADJ
eurjchem-2045	221	34	energy	energy	NOUN
eurjchem-2045	221	35	demand	demand	NOUN
eurjchem-2045	221	36	for	for	ADP
eurjchem-2045	221	37	its	its	PRON
eurjchem-2045	221	38	reaction	reaction	NOUN
eurjchem-2045	221	39	pathway	pathway	NOUN
eurjchem-2045	221	40	barriers	barrier	NOUN
eurjchem-2045	221	41	compared	compare	VERB
eurjchem-2045	221	42	to	to	ADP
eurjchem-2045	221	43	other	other	ADJ
eurjchem-2045	221	44	paths	path	NOUN
eurjchem-2045	221	45	.	.	PUNCT
eurjchem-2045	222	1	and	and	CCONJ
eurjchem-2045	222	2	the	the	DET
eurjchem-2045	222	3	first	first	ADJ
eurjchem-2045	222	4	abstraction	abstraction	NOUN
eurjchem-2045	222	5	step	step	NOUN
eurjchem-2045	222	6	,	,	PUNCT
eurjchem-2045	222	7	where	where	SCONJ
eurjchem-2045	222	8	the	the	DET
eurjchem-2045	222	9	first	first	ADJ
eurjchem-2045	222	10	c	c	NOUN
eurjchem-2045	222	11	-	-	PUNCT
eurjchem-2045	222	12	h	h	NOUN
eurjchem-2045	222	13	bond	bond	NOUN
eurjchem-2045	222	14	activation	activation	NOUN
eurjchem-2045	222	15	of	of	ADP
eurjchem-2045	222	16	propane	propane	NOUN
eurjchem-2045	222	17	at	at	ADP
eurjchem-2045	222	18	the	the	DET
eurjchem-2045	222	19	alpha	alpha	NOUN
eurjchem-2045	222	20	(	(	PUNCT
eurjchem-2045	222	21	or	or	CCONJ
eurjchem-2045	222	22	terminal	terminal	ADJ
eurjchem-2045	222	23	)	)	PUNCT
eurjchem-2045	222	24	carbon	carbon	NOUN
eurjchem-2045	222	25	takes	take	VERB
eurjchem-2045	222	26	place	place	NOUN
eurjchem-2045	222	27	on	on	ADP
eurjchem-2045	222	28	cr	cr	PROPN
eurjchem-2045	222	29	site	site	NOUN
eurjchem-2045	222	30	,	,	PUNCT
eurjchem-2045	222	31	and	and	CCONJ
eurjchem-2045	222	32	the	the	DET
eurjchem-2045	222	33	abstracted	abstract	VERB
eurjchem-2045	222	34	h	h	NOUN
eurjchem-2045	222	35	gets	get	AUX
eurjchem-2045	222	36	adsorbed	adsorb	VERB
eurjchem-2045	222	37	on	on	ADP
eurjchem-2045	222	38	o	o	NOUN
eurjchem-2045	222	39	site	site	NOUN
eurjchem-2045	222	40	on	on	ADP
eurjchem-2045	222	41	that	that	DET
eurjchem-2045	222	42	reaction	reaction	NOUN
eurjchem-2045	222	43	path	path	NOUN
eurjchem-2045	222	44	,	,	PUNCT
eurjchem-2045	222	45	was	be	AUX
eurjchem-2045	222	46	found	find	VERB
eurjchem-2045	222	47	to	to	PART
eurjchem-2045	222	48	be	be	AUX
eurjchem-2045	222	49	the	the	DET
eurjchem-2045	222	50	potential	potential	ADJ
eurjchem-2045	222	51	rate	rate	NOUN
eurjchem-2045	222	52	-	-	PUNCT
eurjchem-2045	222	53	determining	determine	VERB
eurjchem-2045	222	54	step	step	NOUN
eurjchem-2045	222	55	(	(	PUNCT
eurjchem-2045	222	56	rds	rds	NOUN
eurjchem-2045	222	57	)	)	PUNCT
eurjchem-2045	222	58	due	due	ADP
eurjchem-2045	222	59	to	to	ADP
eurjchem-2045	222	60	its	its	PRON
eurjchem-2045	222	61	large	large	ADJ
eurjchem-2045	222	62	activation	activation	NOUN
eurjchem-2045	222	63	complex	complex	NOUN
eurjchem-2045	222	64	which	which	PRON
eurjchem-2045	222	65	was	be	AUX
eurjchem-2045	222	66	relatively	relatively	ADV
eurjchem-2045	222	67	higher	high	ADJ
eurjchem-2045	222	68	when	when	SCONJ
eurjchem-2045	222	69	compared	compare	VERB
eurjchem-2045	222	70	to	to	ADP
eurjchem-2045	222	71	other	other	ADJ
eurjchem-2045	222	72	barriers	barrier	NOUN
eurjchem-2045	222	73	present	present	ADJ
eurjchem-2045	222	74	along	along	ADP
eurjchem-2045	222	75	that	that	DET
eurjchem-2045	222	76	reaction	reaction	NOUN
eurjchem-2045	222	77	path	path	NOUN
eurjchem-2045	222	78	as	as	SCONJ
eurjchem-2045	222	79	displayed	display	VERB
eurjchem-2045	222	80	in	in	ADP
eurjchem-2045	222	81	the	the	DET
eurjchem-2045	222	82	profile	profile	NOUN
eurjchem-2045	222	83	for	for	ADP
eurjchem-2045	222	84	cr	cr	NOUN
eurjchem-2045	222	85	-	-	PUNCT
eurjchem-2045	222	86	o	o	NOUN
eurjchem-2045	222	87	(	(	PUNCT
eurjchem-2045	222	88	s1	s1	PROPN
eurjchem-2045	222	89	)	)	PUNCT
eurjchem-2045	222	90	in	in	ADP
eurjchem-2045	222	91	figure	figure	NOUN
eurjchem-2045	222	92	7	7	NUM
eurjchem-2045	222	93	.	.	PUNCT
eurjchem-2045	223	1	this	this	DET
eurjchem-2045	223	2	finding	finding	NOUN
eurjchem-2045	223	3	was	be	AUX
eurjchem-2045	223	4	found	find	VERB
eurjchem-2045	223	5	to	to	PART
eurjchem-2045	223	6	be	be	AUX
eurjchem-2045	223	7	similar	similar	ADJ
eurjchem-2045	223	8	to	to	ADP
eurjchem-2045	223	9	that	that	PRON
eurjchem-2045	223	10	reported	report	VERB
eurjchem-2045	223	11	by	by	ADP
eurjchem-2045	223	12	yu	yu	PROPN
eurjchem-2045	223	13	-	-	PROPN
eurjchem-2045	223	14	jue	jue	PROPN
eurjchem-2045	223	15	et	et	PROPN
eurjchem-2045	223	16	al	al	PROPN
eurjchem-2045	223	17	.	.	PUNCT
eurjchem-2045	224	1	[	[	X
eurjchem-2045	224	2	40	40	NUM
eurjchem-2045	224	3	]	]	PUNCT
eurjchem-2045	224	4	,	,	PUNCT
eurjchem-2045	224	5	and	and	CCONJ
eurjchem-2045	224	6	zhao	zhao	PROPN
eurjchem-2045	224	7	et	et	PROPN
eurjchem-2045	224	8	al	al	PROPN
eurjchem-2045	224	9	.	.	PUNCT
eurjchem-2045	225	1	[	[	X
eurjchem-2045	225	2	36	36	NUM
eurjchem-2045	225	3	]	]	X
eurjchem-2045	225	4	,	,	PUNCT
eurjchem-2045	225	5	which	which	PRON
eurjchem-2045	225	6	also	also	ADV
eurjchem-2045	225	7	confirms	confirm	VERB
eurjchem-2045	225	8	the	the	DET
eurjchem-2045	225	9	first	first	ADJ
eurjchem-2045	225	10	c	c	NOUN
eurjchem-2045	225	11	-	-	PUNCT
eurjchem-2045	225	12	h	h	NOUN
eurjchem-2045	225	13	activation	activation	NOUN
eurjchem-2045	225	14	step	step	NOUN
eurjchem-2045	225	15	(	(	PUNCT
eurjchem-2045	225	16	i.e.	i.e.	X
eurjchem-2045	225	17	,	,	PUNCT
eurjchem-2045	225	18	oyegoke	oyegoke	VERB
eurjchem-2045	225	19	et	et	PROPN
eurjchem-2045	225	20	al	al	PROPN
eurjchem-2045	225	21	.	.	PUNCT
eurjchem-2045	225	22	/	/	SYM
eurjchem-2045	225	23	european	european	PROPN
eurjchem-2045	225	24	journal	journal	PROPN
eurjchem-2045	225	25	of	of	ADP
eurjchem-2045	225	26	chemistry	chemistry	NOUN
eurjchem-2045	225	27	11	11	NUM
eurjchem-2045	225	28	(	(	PUNCT
eurjchem-2045	225	29	4	4	NUM
eurjchem-2045	225	30	)	)	PUNCT
eurjchem-2045	225	31	(	(	PUNCT
eurjchem-2045	225	32	2020	2020	NUM
eurjchem-2045	225	33	)	)	PUNCT
eurjchem-2045	225	34	342	342	NUM
eurjchem-2045	225	35	-	-	SYM
eurjchem-2045	225	36	350	350	NUM
eurjchem-2045	225	37	349	349	NUM
eurjchem-2045	225	38	2020	2020	NUM
eurjchem-2045	225	39	–	–	PUNCT
eurjchem-2045	225	40	european	european	ADJ
eurjchem-2045	225	41	journal	journal	NOUN
eurjchem-2045	225	42	of	of	ADP
eurjchem-2045	225	43	chemistry	chemistry	NOUN
eurjchem-2045	225	44	–	–	PUNCT
eurjchem-2045	225	45	cc	cc	NOUN
eurjchem-2045	225	46	by	by	ADP
eurjchem-2045	225	47	nc	nc	PROPN
eurjchem-2045	225	48	–	–	PUNCT
eurjchem-2045	225	49	doi	doi	NOUN
eurjchem-2045	225	50	:	:	PUNCT
eurjchem-2045	225	51	10.5155	10.5155	NUM
eurjchem-2045	225	52	/	/	SYM
eurjchem-2045	225	53	eurjchem.11.4.342	eurjchem.11.4.342	NUM
eurjchem-2045	225	54	-	-	SYM
eurjchem-2045	225	55	350.2045	350.2045	NUM
eurjchem-2045	225	56	the	the	DET
eurjchem-2045	225	57	first	first	ADJ
eurjchem-2045	225	58	abstraction	abstraction	NOUN
eurjchem-2045	225	59	step	step	NOUN
eurjchem-2045	225	60	)	)	PUNCT
eurjchem-2045	225	61	as	as	SCONJ
eurjchem-2045	225	62	its	its	PRON
eurjchem-2045	225	63	rds	rd	NOUN
eurjchem-2045	225	64	for	for	ADP
eurjchem-2045	225	65	propane	propane	NOUN
eurjchem-2045	225	66	dehydrogenated	dehydrogenate	VERB
eurjchem-2045	225	67	on	on	ADP
eurjchem-2045	225	68	a	a	DET
eurjchem-2045	225	69	metallic	metallic	ADJ
eurjchem-2045	225	70	oxide	oxide	NOUN
eurjchem-2045	225	71	(	(	PUNCT
eurjchem-2045	225	72	i.e.	i.e.	X
eurjchem-2045	225	73	,	,	PUNCT
eurjchem-2045	225	74	vanadium	vanadium	NOUN
eurjchem-2045	225	75	oxide	oxide	NOUN
eurjchem-2045	225	76	)	)	PUNCT
eurjchem-2045	225	77	.	.	PUNCT
eurjchem-2045	226	1	the	the	DET
eurjchem-2045	226	2	rate	rate	NOUN
eurjchem-2045	226	3	-	-	PUNCT
eurjchem-2045	226	4	determining	determine	VERB
eurjchem-2045	226	5	step	step	NOUN
eurjchem-2045	226	6	(	(	PUNCT
eurjchem-2045	226	7	rds	rd	NOUN
eurjchem-2045	226	8	)	)	PUNCT
eurjchem-2045	226	9	obtained	obtain	VERB
eurjchem-2045	226	10	in	in	ADP
eurjchem-2045	226	11	this	this	DET
eurjchem-2045	226	12	study	study	NOUN
eurjchem-2045	226	13	was	be	AUX
eurjchem-2045	226	14	found	find	VERB
eurjchem-2045	226	15	to	to	PART
eurjchem-2045	226	16	be	be	AUX
eurjchem-2045	226	17	similar	similar	ADJ
eurjchem-2045	226	18	to	to	ADP
eurjchem-2045	226	19	that	that	PRON
eurjchem-2045	226	20	which	which	PRON
eurjchem-2045	226	21	was	be	AUX
eurjchem-2045	226	22	identified	identify	VERB
eurjchem-2045	226	23	by	by	ADP
eurjchem-2045	226	24	oyegoke	oyegoke	NOUN
eurjchem-2045	226	25	et	et	PROPN
eurjchem-2045	226	26	al	al	PROPN
eurjchem-2045	226	27	.	.	PUNCT
eurjchem-2045	227	1	[	[	X
eurjchem-2045	227	2	17	17	NUM
eurjchem-2045	227	3	]	]	PUNCT
eurjchem-2045	227	4	,	,	PUNCT
eurjchem-2045	227	5	for	for	ADP
eurjchem-2045	227	6	the	the	DET
eurjchem-2045	227	7	cracking	cracking	NOUN
eurjchem-2045	227	8	of	of	ADP
eurjchem-2045	227	9	propane	propane	NOUN
eurjchem-2045	227	10	into	into	ADP
eurjchem-2045	227	11	small	small	ADJ
eurjchem-2045	227	12	molecules	molecule	NOUN
eurjchem-2045	227	13	,	,	PUNCT
eurjchem-2045	227	14	although	although	SCONJ
eurjchem-2045	227	15	the	the	DET
eurjchem-2045	227	16	reaction	reaction	NOUN
eurjchem-2045	227	17	path	path	NOUN
eurjchem-2045	227	18	is	be	AUX
eurjchem-2045	227	19	different	different	ADJ
eurjchem-2045	227	20	(	(	PUNCT
eurjchem-2045	227	21	cr	cr	NOUN
eurjchem-2045	227	22	-	-	PUNCT
eurjchem-2045	227	23	o	o	NOUN
eurjchem-2045	227	24	is	be	AUX
eurjchem-2045	227	25	feasible	feasible	ADJ
eurjchem-2045	227	26	for	for	ADP
eurjchem-2045	227	27	propane	propane	NOUN
eurjchem-2045	227	28	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	227	29	while	while	SCONJ
eurjchem-2045	227	30	cr	cr	PROPN
eurjchem-2045	227	31	-	-	PUNCT
eurjchem-2045	227	32	cr	cr	PROPN
eurjchem-2045	227	33	route	route	NOUN
eurjchem-2045	227	34	is	be	AUX
eurjchem-2045	227	35	feasible	feasible	ADJ
eurjchem-2045	227	36	for	for	ADP
eurjchem-2045	227	37	propane	propane	NOUN
eurjchem-2045	227	38	cracking	cracking	NOUN
eurjchem-2045	227	39	)	)	PUNCT
eurjchem-2045	227	40	.	.	PUNCT
eurjchem-2045	228	1	the	the	DET
eurjchem-2045	228	2	energy	energy	NOUN
eurjchem-2045	228	3	barrier	barrier	NOUN
eurjchem-2045	228	4	obtained	obtain	VERB
eurjchem-2045	228	5	for	for	ADP
eurjchem-2045	228	6	the	the	DET
eurjchem-2045	228	7	second	second	ADJ
eurjchem-2045	228	8	c	c	NOUN
eurjchem-2045	228	9	-	-	PUNCT
eurjchem-2045	228	10	h	h	NOUN
eurjchem-2045	228	11	abstraction	abstraction	NOUN
eurjchem-2045	228	12	step	step	NOUN
eurjchem-2045	228	13	in	in	ADP
eurjchem-2045	228	14	this	this	DET
eurjchem-2045	228	15	study	study	NOUN
eurjchem-2045	228	16	was	be	AUX
eurjchem-2045	228	17	found	find	VERB
eurjchem-2045	228	18	to	to	PART
eurjchem-2045	228	19	be	be	AUX
eurjchem-2045	228	20	lower	low	ADJ
eurjchem-2045	228	21	than	than	ADP
eurjchem-2045	228	22	that	that	DET
eurjchem-2045	228	23	barrier	barrier	NOUN
eurjchem-2045	228	24	obtained	obtain	VERB
eurjchem-2045	228	25	by	by	ADP
eurjchem-2045	228	26	oyegoke	oyegoke	NOUN
eurjchem-2045	228	27	et	et	PROPN
eurjchem-2045	228	28	al	al	PROPN
eurjchem-2045	228	29	.	.	PUNCT
eurjchem-2045	229	1	[	[	X
eurjchem-2045	229	2	17	17	NUM
eurjchem-2045	229	3	]	]	PUNCT
eurjchem-2045	229	4	for	for	ADP
eurjchem-2045	229	5	the	the	DET
eurjchem-2045	229	6	cracking	cracking	NOUN
eurjchem-2045	229	7	of	of	ADP
eurjchem-2045	229	8	propyl	propyl	ADJ
eurjchem-2045	229	9	specie	specie	NOUN
eurjchem-2045	229	10	on	on	ADP
eurjchem-2045	229	11	the	the	DET
eurjchem-2045	229	12	path	path	NOUN
eurjchem-2045	229	13	of	of	ADP
eurjchem-2045	229	14	cr	cr	PROPN
eurjchem-2045	229	15	-	-	PUNCT
eurjchem-2045	229	16	cr	cr	PROPN
eurjchem-2045	229	17	reaction	reaction	PROPN
eurjchem-2045	229	18	route	route	PROPN
eurjchem-2045	229	19	,	,	PUNCT
eurjchem-2045	229	20	which	which	PRON
eurjchem-2045	229	21	often	often	ADV
eurjchem-2045	229	22	leads	lead	VERB
eurjchem-2045	229	23	to	to	ADP
eurjchem-2045	229	24	cracking	cracking	NOUN
eurjchem-2045	229	25	of	of	ADP
eurjchem-2045	229	26	the	the	DET
eurjchem-2045	229	27	molecule	molecule	NOUN
eurjchem-2045	229	28	due	due	ADP
eurjchem-2045	229	29	to	to	ADP
eurjchem-2045	229	30	the	the	DET
eurjchem-2045	229	31	high	high	ADJ
eurjchem-2045	229	32	activity	activity	NOUN
eurjchem-2045	229	33	of	of	ADP
eurjchem-2045	229	34	the	the	DET
eurjchem-2045	229	35	cr	cr	PROPN
eurjchem-2045	229	36	sites	site	NOUN
eurjchem-2045	229	37	present	present	ADJ
eurjchem-2045	229	38	on	on	ADP
eurjchem-2045	229	39	the	the	DET
eurjchem-2045	229	40	catalyst	catalyst	NOUN
eurjchem-2045	229	41	surface	surface	NOUN
eurjchem-2045	229	42	in	in	ADP
eurjchem-2045	229	43	agreement	agreement	NOUN
eurjchem-2045	229	44	with	with	ADP
eurjchem-2045	229	45	literature	literature	NOUN
eurjchem-2045	229	46	[	[	X
eurjchem-2045	229	47	10	10	NUM
eurjchem-2045	229	48	]	]	PUNCT
eurjchem-2045	229	49	.	.	PUNCT
eurjchem-2045	230	1	therefore	therefore	ADV
eurjchem-2045	230	2	,	,	PUNCT
eurjchem-2045	230	3	this	this	PRON
eurjchem-2045	230	4	suggests	suggest	VERB
eurjchem-2045	230	5	reducing	reduce	VERB
eurjchem-2045	230	6	cr	cr	PROPN
eurjchem-2045	230	7	site	site	NOUN
eurjchem-2045	230	8	dominance	dominance	NOUN
eurjchem-2045	230	9	on	on	ADP
eurjchem-2045	230	10	the	the	DET
eurjchem-2045	230	11	catalyst	catalyst	NOUN
eurjchem-2045	230	12	surface	surface	NOUN
eurjchem-2045	230	13	via	via	ADP
eurjchem-2045	230	14	the	the	DET
eurjchem-2045	230	15	substitution	substitution	NOUN
eurjchem-2045	230	16	of	of	ADP
eurjchem-2045	230	17	selected	select	VERB
eurjchem-2045	230	18	cr	cr	NOUN
eurjchem-2045	230	19	sites	site	NOUN
eurjchem-2045	230	20	or	or	CCONJ
eurjchem-2045	230	21	oxidant	oxidant	ADJ
eurjchem-2045	230	22	/	/	SYM
eurjchem-2045	230	23	oxygen	oxygen	NOUN
eurjchem-2045	230	24	use	use	NOUN
eurjchem-2045	230	25	.	.	PUNCT
eurjchem-2045	231	1	4	4	X
eurjchem-2045	231	2	.	.	X
eurjchem-2045	231	3	conclusions	conclusion	NOUN
eurjchem-2045	231	4	the	the	DET
eurjchem-2045	231	5	potential	potential	ADJ
eurjchem-2045	231	6	reaction	reaction	NOUN
eurjchem-2045	231	7	routes	route	NOUN
eurjchem-2045	231	8	for	for	ADP
eurjchem-2045	231	9	propylene	propylene	NOUN
eurjchem-2045	231	10	production	production	NOUN
eurjchem-2045	231	11	from	from	ADP
eurjchem-2045	231	12	propane	propane	NOUN
eurjchem-2045	231	13	across	across	ADP
eurjchem-2045	231	14	the	the	DET
eurjchem-2045	231	15	chromium	chromium	NOUN
eurjchem-2045	231	16	(	(	PUNCT
eurjchem-2045	231	17	iii	iii	NOUN
eurjchem-2045	231	18	)	)	PUNCT
eurjchem-2045	231	19	oxide	oxide	NOUN
eurjchem-2045	231	20	surface	surface	NOUN
eurjchem-2045	231	21	were	be	AUX
eurjchem-2045	231	22	investigated	investigate	VERB
eurjchem-2045	231	23	,	,	PUNCT
eurjchem-2045	231	24	and	and	CCONJ
eurjchem-2045	231	25	insight	insight	NOUN
eurjchem-2045	231	26	into	into	ADP
eurjchem-2045	231	27	the	the	DET
eurjchem-2045	231	28	kinetic	kinetic	NOUN
eurjchem-2045	231	29	and	and	CCONJ
eurjchem-2045	231	30	thermodynamics	thermodynamic	NOUN
eurjchem-2045	231	31	involved	involve	VERB
eurjchem-2045	231	32	in	in	ADP
eurjchem-2045	231	33	the	the	DET
eurjchem-2045	231	34	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	231	35	process	process	NOUN
eurjchem-2045	231	36	’s	’s	PART
eurjchem-2045	231	37	reaction	reaction	NOUN
eurjchem-2045	231	38	mechanism	mechanism	NOUN
eurjchem-2045	231	39	was	be	AUX
eurjchem-2045	231	40	gained	gain	VERB
eurjchem-2045	231	41	via	via	ADP
eurjchem-2045	231	42	a	a	DET
eurjchem-2045	231	43	density	density	NOUN
eurjchem-2045	231	44	functional	functional	ADJ
eurjchem-2045	231	45	theory	theory	NOUN
eurjchem-2045	231	46	calculation	calculation	NOUN
eurjchem-2045	231	47	and	and	CCONJ
eurjchem-2045	231	48	the	the	DET
eurjchem-2045	231	49	use	use	NOUN
eurjchem-2045	231	50	of	of	ADP
eurjchem-2045	231	51	a	a	DET
eurjchem-2045	231	52	cluster	cluster	NOUN
eurjchem-2045	231	53	approach	approach	NOUN
eurjchem-2045	231	54	.	.	PUNCT
eurjchem-2045	232	1	this	this	DET
eurjchem-2045	232	2	investigation	investigation	NOUN
eurjchem-2045	232	3	presents	present	VERB
eurjchem-2045	232	4	detailed	detailed	ADJ
eurjchem-2045	232	5	insights	insight	NOUN
eurjchem-2045	232	6	on	on	ADP
eurjchem-2045	232	7	factors	factor	NOUN
eurjchem-2045	232	8	contributing	contribute	VERB
eurjchem-2045	232	9	to	to	ADP
eurjchem-2045	232	10	the	the	DET
eurjchem-2045	232	11	unpleasant	unpleasant	ADJ
eurjchem-2045	232	12	selectivity	selectivity	NOUN
eurjchem-2045	232	13	and	and	CCONJ
eurjchem-2045	232	14	rapid	rapid	ADJ
eurjchem-2045	232	15	deactivation	deactivation	NOUN
eurjchem-2045	232	16	of	of	ADP
eurjchem-2045	232	17	chromium	chromium	NOUN
eurjchem-2045	232	18	oxide	oxide	NOUN
eurjchem-2045	232	19	catalyst	catalyst	NOUN
eurjchem-2045	232	20	despite	despite	SCONJ
eurjchem-2045	232	21	its	its	PRON
eurjchem-2045	232	22	high	high	ADJ
eurjchem-2045	232	23	activity	activity	NOUN
eurjchem-2045	232	24	as	as	ADP
eurjchem-2045	232	25	a	a	DET
eurjchem-2045	232	26	way	way	NOUN
eurjchem-2045	232	27	of	of	ADP
eurjchem-2045	232	28	providing	provide	VERB
eurjchem-2045	232	29	preliminary	preliminary	ADJ
eurjchem-2045	232	30	information	information	NOUN
eurjchem-2045	232	31	on	on	ADP
eurjchem-2045	232	32	its	its	PRON
eurjchem-2045	232	33	kinetics	kinetic	NOUN
eurjchem-2045	232	34	this	this	PRON
eurjchem-2045	232	35	from	from	ADP
eurjchem-2045	232	36	a	a	DET
eurjchem-2045	232	37	theoretical	theoretical	ADJ
eurjchem-2045	232	38	point	point	NOUN
eurjchem-2045	232	39	of	of	ADP
eurjchem-2045	232	40	view	view	NOUN
eurjchem-2045	232	41	(	(	PUNCT
eurjchem-2045	232	42	at	at	ADP
eurjchem-2045	232	43	molecular	molecular	ADJ
eurjchem-2045	232	44	scale	scale	NOUN
eurjchem-2045	232	45	)	)	PUNCT
eurjchem-2045	232	46	along	along	ADP
eurjchem-2045	232	47	with	with	ADP
eurjchem-2045	232	48	some	some	DET
eurjchem-2045	232	49	suggestions	suggestion	NOUN
eurjchem-2045	232	50	on	on	ADP
eurjchem-2045	232	51	how	how	SCONJ
eurjchem-2045	232	52	the	the	DET
eurjchem-2045	232	53	catalyst	catalyst	NOUN
eurjchem-2045	232	54	can	can	AUX
eurjchem-2045	232	55	be	be	AUX
eurjchem-2045	232	56	improved	improve	VERB
eurjchem-2045	232	57	.	.	PUNCT
eurjchem-2045	233	1	the	the	DET
eurjchem-2045	233	2	results	result	NOUN
eurjchem-2045	233	3	obtained	obtain	VERB
eurjchem-2045	233	4	from	from	ADP
eurjchem-2045	233	5	the	the	DET
eurjchem-2045	233	6	study	study	NOUN
eurjchem-2045	233	7	of	of	ADP
eurjchem-2045	233	8	the	the	DET
eurjchem-2045	233	9	process	process	NOUN
eurjchem-2045	233	10	reveal	reveal	VERB
eurjchem-2045	233	11	that	that	SCONJ
eurjchem-2045	233	12	out	out	ADP
eurjchem-2045	233	13	of	of	ADP
eurjchem-2045	233	14	the	the	DET
eurjchem-2045	233	15	six	six	NUM
eurjchem-2045	233	16	elementary	elementary	ADJ
eurjchem-2045	233	17	reaction	reaction	NOUN
eurjchem-2045	233	18	steps	step	NOUN
eurjchem-2045	233	19	involved	involve	VERB
eurjchem-2045	233	20	in	in	ADP
eurjchem-2045	233	21	the	the	DET
eurjchem-2045	233	22	reaction	reaction	NOUN
eurjchem-2045	233	23	,	,	PUNCT
eurjchem-2045	233	24	two	two	NUM
eurjchem-2045	233	25	steps	step	NOUN
eurjchem-2045	233	26	:	:	PUNCT
eurjchem-2045	233	27	the	the	DET
eurjchem-2045	233	28	first	first	ADJ
eurjchem-2045	233	29	hydrogen	hydrogen	NOUN
eurjchem-2045	233	30	abstraction	abstraction	NOUN
eurjchem-2045	233	31	and	and	CCONJ
eurjchem-2045	233	32	hydrogen	hydrogen	NOUN
eurjchem-2045	233	33	desorption	desorption	NOUN
eurjchem-2045	233	34	,	,	PUNCT
eurjchem-2045	233	35	were	be	AUX
eurjchem-2045	233	36	identified	identify	VERB
eurjchem-2045	233	37	as	as	ADP
eurjchem-2045	233	38	being	be	AUX
eurjchem-2045	233	39	endothermic	endothermic	ADJ
eurjchem-2045	233	40	.	.	PUNCT
eurjchem-2045	234	1	in	in	ADP
eurjchem-2045	234	2	contrast	contrast	NOUN
eurjchem-2045	234	3	,	,	PUNCT
eurjchem-2045	234	4	other	other	ADJ
eurjchem-2045	234	5	steps	step	NOUN
eurjchem-2045	234	6	,	,	PUNCT
eurjchem-2045	234	7	including	include	VERB
eurjchem-2045	234	8	propane	propane	NOUN
eurjchem-2045	234	9	adsorption	adsorption	NOUN
eurjchem-2045	234	10	,	,	PUNCT
eurjchem-2045	234	11	hydrogen	hydrogen	NOUN
eurjchem-2045	234	12	diffusion	diffusion	NOUN
eurjchem-2045	234	13	,	,	PUNCT
eurjchem-2045	234	14	and	and	CCONJ
eurjchem-2045	234	15	the	the	DET
eurjchem-2045	234	16	second	second	ADJ
eurjchem-2045	234	17	stage	stage	NOUN
eurjchem-2045	234	18	of	of	ADP
eurjchem-2045	234	19	hydrogen	hydrogen	NOUN
eurjchem-2045	234	20	abstraction	abstraction	NOUN
eurjchem-2045	234	21	,	,	PUNCT
eurjchem-2045	234	22	were	be	AUX
eurjchem-2045	234	23	identified	identify	VERB
eurjchem-2045	234	24	as	as	ADP
eurjchem-2045	234	25	being	be	AUX
eurjchem-2045	234	26	exothermic	exothermic	ADJ
eurjchem-2045	234	27	.	.	PUNCT
eurjchem-2045	235	1	the	the	DET
eurjchem-2045	235	2	study	study	NOUN
eurjchem-2045	235	3	of	of	ADP
eurjchem-2045	235	4	the	the	DET
eurjchem-2045	235	5	energy	energy	NOUN
eurjchem-2045	235	6	profiles	profile	NOUN
eurjchem-2045	235	7	displaying	display	VERB
eurjchem-2045	235	8	the	the	DET
eurjchem-2045	235	9	different	different	ADJ
eurjchem-2045	235	10	reaction	reaction	NOUN
eurjchem-2045	235	11	pathways	pathway	NOUN
eurjchem-2045	235	12	studied	study	VERB
eurjchem-2045	235	13	,	,	PUNCT
eurjchem-2045	235	14	confirms	confirm	VERB
eurjchem-2045	235	15	cro	cro	PROPN
eurjchem-2045	235	16	(	(	PUNCT
eurjchem-2045	235	17	s1	s1	NOUN
eurjchem-2045	235	18	)	)	PUNCT
eurjchem-2045	235	19	reaction	reaction	NOUN
eurjchem-2045	235	20	pathway	pathway	NOUN
eurjchem-2045	235	21	as	as	ADP
eurjchem-2045	235	22	the	the	DET
eurjchem-2045	235	23	thermodynamically	thermodynamically	ADV
eurjchem-2045	235	24	viable	viable	ADJ
eurjchem-2045	235	25	pathway	pathway	NOUN
eurjchem-2045	235	26	that	that	PRON
eurjchem-2045	235	27	would	would	AUX
eurjchem-2045	235	28	promote	promote	VERB
eurjchem-2045	235	29	propylene	propylene	NOUN
eurjchem-2045	235	30	production	production	NOUN
eurjchem-2045	235	31	.	.	PUNCT
eurjchem-2045	236	1	the	the	DET
eurjchem-2045	236	2	reaction	reaction	NOUN
eurjchem-2045	236	3	pathway	pathway	NOUN
eurjchem-2045	236	4	activates	activate	VERB
eurjchem-2045	236	5	the	the	DET
eurjchem-2045	236	6	propane	propane	NOUN
eurjchem-2045	236	7	across	across	ADP
eurjchem-2045	236	8	the	the	DET
eurjchem-2045	236	9	cr	cr	PROPN
eurjchem-2045	236	10	-	-	PUNCT
eurjchem-2045	236	11	o	o	NOUN
eurjchem-2045	236	12	site	site	NOUN
eurjchem-2045	236	13	at	at	ADP
eurjchem-2045	236	14	the	the	DET
eurjchem-2045	236	15	alpha	alpha	NOUN
eurjchem-2045	236	16	(	(	PUNCT
eurjchem-2045	236	17	or	or	CCONJ
eurjchem-2045	236	18	terminal	terminal	ADJ
eurjchem-2045	236	19	)	)	PUNCT
eurjchem-2045	236	20	carbon	carbon	NOUN
eurjchem-2045	236	21	of	of	ADP
eurjchem-2045	236	22	the	the	DET
eurjchem-2045	236	23	propane	propane	NOUN
eurjchem-2045	236	24	,	,	PUNCT
eurjchem-2045	236	25	where	where	SCONJ
eurjchem-2045	236	26	the	the	DET
eurjchem-2045	236	27	propyl	propyl	NOUN
eurjchem-2045	236	28	gets	get	AUX
eurjchem-2045	236	29	adsorbed	adsorb	VERB
eurjchem-2045	236	30	to	to	ADP
eurjchem-2045	236	31	the	the	DET
eurjchem-2045	236	32	cr	cr	PROPN
eurjchem-2045	236	33	site	site	NOUN
eurjchem-2045	236	34	,	,	PUNCT
eurjchem-2045	236	35	and	and	CCONJ
eurjchem-2045	236	36	h	h	NOUN
eurjchem-2045	236	37	species	specie	NOUN
eurjchem-2045	236	38	get	get	AUX
eurjchem-2045	236	39	adsorbed	adsorb	VERB
eurjchem-2045	236	40	to	to	ADP
eurjchem-2045	236	41	the	the	DET
eurjchem-2045	236	42	o	o	PROPN
eurjchem-2045	236	43	site	site	NOUN
eurjchem-2045	236	44	.	.	PUNCT
eurjchem-2045	237	1	this	this	DET
eurjchem-2045	237	2	study	study	NOUN
eurjchem-2045	237	3	was	be	AUX
eurjchem-2045	237	4	also	also	ADV
eurjchem-2045	237	5	able	able	ADJ
eurjchem-2045	237	6	to	to	PART
eurjchem-2045	237	7	identify	identify	VERB
eurjchem-2045	237	8	the	the	DET
eurjchem-2045	237	9	first	first	ADJ
eurjchem-2045	237	10	hydrogen	hydrogen	NOUN
eurjchem-2045	237	11	abstraction	abstraction	NOUN
eurjchem-2045	237	12	step	step	NOUN
eurjchem-2045	237	13	as	as	ADP
eurjchem-2045	237	14	the	the	DET
eurjchem-2045	237	15	potential	potential	ADJ
eurjchem-2045	237	16	rate	rate	NOUN
eurjchem-2045	237	17	-	-	PUNCT
eurjchem-2045	237	18	determining	determine	VERB
eurjchem-2045	237	19	step	step	NOUN
eurjchem-2045	237	20	(	(	PUNCT
eurjchem-2045	237	21	rds	rd	NOUN
eurjchem-2045	237	22	)	)	PUNCT
eurjchem-2045	237	23	for	for	ADP
eurjchem-2045	237	24	defining	define	VERB
eurjchem-2045	237	25	the	the	DET
eurjchem-2045	237	26	rate	rate	NOUN
eurjchem-2045	237	27	of	of	ADP
eurjchem-2045	237	28	the	the	DET
eurjchem-2045	237	29	propane	propane	NOUN
eurjchem-2045	237	30	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	237	31	process	process	NOUN
eurjchem-2045	237	32	.	.	PUNCT
eurjchem-2045	238	1	the	the	DET
eurjchem-2045	238	2	rds	rds	NOUN
eurjchem-2045	238	3	energy	energy	NOUN
eurjchem-2045	238	4	barrier	barrier	NOUN
eurjchem-2045	238	5	was	be	AUX
eurjchem-2045	238	6	found	find	VERB
eurjchem-2045	238	7	to	to	PART
eurjchem-2045	238	8	be	be	AUX
eurjchem-2045	238	9	0.72	0.72	NUM
eurjchem-2045	238	10	ev	ev	NOUN
eurjchem-2045	238	11	,	,	PUNCT
eurjchem-2045	238	12	and	and	CCONJ
eurjchem-2045	238	13	the	the	DET
eurjchem-2045	238	14	step	step	NOUN
eurjchem-2045	238	15	is	be	AUX
eurjchem-2045	238	16	endothermic	endothermic	ADJ
eurjchem-2045	238	17	with	with	ADP
eurjchem-2045	238	18	a	a	DET
eurjchem-2045	238	19	reaction	reaction	NOUN
eurjchem-2045	238	20	energy	energy	NOUN
eurjchem-2045	238	21	of	of	ADP
eurjchem-2045	238	22	0.36	0.36	NUM
eurjchem-2045	238	23	ev	ev	NOUN
eurjchem-2045	238	24	.	.	PUNCT
eurjchem-2045	239	1	it	it	PRON
eurjchem-2045	239	2	was	be	AUX
eurjchem-2045	239	3	also	also	ADV
eurjchem-2045	239	4	shown	show	VERB
eurjchem-2045	239	5	that	that	SCONJ
eurjchem-2045	239	6	the	the	DET
eurjchem-2045	239	7	significant	significant	ADJ
eurjchem-2045	239	8	participation	participation	NOUN
eurjchem-2045	239	9	of	of	ADP
eurjchem-2045	239	10	cr	cr	NOUN
eurjchem-2045	239	11	sites	site	NOUN
eurjchem-2045	239	12	in	in	ADP
eurjchem-2045	239	13	the	the	DET
eurjchem-2045	239	14	propane	propane	NOUN
eurjchem-2045	239	15	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	239	16	process	process	NOUN
eurjchem-2045	239	17	would	would	AUX
eurjchem-2045	239	18	hinder	hinder	VERB
eurjchem-2045	239	19	propylene	propylene	NOUN
eurjchem-2045	239	20	’s	’s	PART
eurjchem-2045	239	21	desorption	desorption	NOUN
eurjchem-2045	239	22	and	and	CCONJ
eurjchem-2045	239	23	promote	promote	VERB
eurjchem-2045	239	24	undesired	undesired	ADJ
eurjchem-2045	239	25	products	product	NOUN
eurjchem-2045	239	26	due	due	ADP
eurjchem-2045	239	27	to	to	ADP
eurjchem-2045	239	28	the	the	DET
eurjchem-2045	239	29	stronger	strong	ADJ
eurjchem-2045	239	30	affinity	affinity	NOUN
eurjchem-2045	239	31	between	between	ADP
eurjchem-2045	239	32	the	the	DET
eurjchem-2045	239	33	propylene	propylene	NOUN
eurjchem-2045	239	34	and	and	CCONJ
eurjchem-2045	239	35	cr	cr	PROPN
eurjchem-2045	239	36	-	-	PUNCT
eurjchem-2045	239	37	cr	cr	PROPN
eurjchem-2045	239	38	site	site	NOUN
eurjchem-2045	239	39	,	,	PUNCT
eurjchem-2045	239	40	which	which	PRON
eurjchem-2045	239	41	makes	make	VERB
eurjchem-2045	239	42	it	it	PRON
eurjchem-2045	239	43	more	more	ADV
eurjchem-2045	239	44	stable	stable	ADJ
eurjchem-2045	239	45	on	on	ADP
eurjchem-2045	239	46	the	the	DET
eurjchem-2045	239	47	surface	surface	NOUN
eurjchem-2045	239	48	.	.	PUNCT
eurjchem-2045	240	1	as	as	ADP
eurjchem-2045	240	2	a	a	DET
eurjchem-2045	240	3	result	result	NOUN
eurjchem-2045	240	4	,	,	PUNCT
eurjchem-2045	240	5	the	the	DET
eurjchem-2045	240	6	finding	finding	NOUN
eurjchem-2045	240	7	from	from	ADP
eurjchem-2045	240	8	this	this	DET
eurjchem-2045	240	9	study	study	NOUN
eurjchem-2045	240	10	recommends	recommend	VERB
eurjchem-2045	240	11	partial	partial	ADJ
eurjchem-2045	240	12	substitution	substitution	NOUN
eurjchem-2045	240	13	of	of	ADP
eurjchem-2045	240	14	cr	cr	PROPN
eurjchem-2045	240	15	site	site	NOUN
eurjchem-2045	240	16	with	with	ADP
eurjchem-2045	240	17	relevant	relevant	ADJ
eurjchem-2045	240	18	metals	metal	NOUN
eurjchem-2045	240	19	or	or	CCONJ
eurjchem-2045	240	20	the	the	DET
eurjchem-2045	240	21	introduction	introduction	NOUN
eurjchem-2045	240	22	of	of	ADP
eurjchem-2045	240	23	oxidants	oxidant	NOUN
eurjchem-2045	240	24	that	that	PRON
eurjchem-2045	240	25	may	may	AUX
eurjchem-2045	240	26	modify	modify	VERB
eurjchem-2045	240	27	the	the	DET
eurjchem-2045	240	28	cr	cr	PROPN
eurjchem-2045	240	29	electronic	electronic	ADJ
eurjchem-2045	240	30	structure	structure	NOUN
eurjchem-2045	240	31	and	and	CCONJ
eurjchem-2045	240	32	hence	hence	ADV
eurjchem-2045	240	33	its	its	PRON
eurjchem-2045	240	34	overall	overall	ADJ
eurjchem-2045	240	35	activity	activity	NOUN
eurjchem-2045	240	36	as	as	ADP
eurjchem-2045	240	37	a	a	DET
eurjchem-2045	240	38	way	way	NOUN
eurjchem-2045	240	39	of	of	ADP
eurjchem-2045	240	40	decreasing	decrease	VERB
eurjchem-2045	240	41	the	the	DET
eurjchem-2045	240	42	deep	deep	ADJ
eurjchem-2045	240	43	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	240	44	(	(	PUNCT
eurjchem-2045	240	45	or	or	CCONJ
eurjchem-2045	240	46	propylene	propylene	NOUN
eurjchem-2045	240	47	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	240	48	)	)	PUNCT
eurjchem-2045	240	49	in	in	ADP
eurjchem-2045	240	50	the	the	DET
eurjchem-2045	240	51	conversion	conversion	NOUN
eurjchem-2045	240	52	of	of	ADP
eurjchem-2045	240	53	propane	propane	NOUN
eurjchem-2045	240	54	to	to	ADP
eurjchem-2045	240	55	propylene	propylene	NOUN
eurjchem-2045	240	56	.	.	PUNCT
eurjchem-2045	241	1	acknowledgment	acknowledgment	NOUN
eurjchem-2045	241	2	the	the	DET
eurjchem-2045	241	3	first	first	ADJ
eurjchem-2045	241	4	author	author	NOUN
eurjchem-2045	241	5	wishes	wish	VERB
eurjchem-2045	241	6	to	to	PART
eurjchem-2045	241	7	acknowledge	acknowledge	VERB
eurjchem-2045	241	8	the	the	DET
eurjchem-2045	241	9	petroleum	petroleum	NOUN
eurjchem-2045	241	10	technology	technology	PROPN
eurjchem-2045	241	11	development	development	PROPN
eurjchem-2045	241	12	fund	fund	PROPN
eurjchem-2045	241	13	abuja	abuja	PROPN
eurjchem-2045	241	14	,	,	PUNCT
eurjchem-2045	241	15	nigeria	nigeria	PROPN
eurjchem-2045	241	16	’s	’s	PART
eurjchem-2045	241	17	support	support	NOUN
eurjchem-2045	241	18	in	in	ADP
eurjchem-2045	241	19	funding	fund	VERB
eurjchem-2045	241	20	his	his	PRON
eurjchem-2045	241	21	program	program	NOUN
eurjchem-2045	241	22	.	.	PUNCT
eurjchem-2045	242	1	disclosure	disclosure	NOUN
eurjchem-2045	242	2	statement	statement	NOUN
eurjchem-2045	242	3	conflict	conflict	NOUN
eurjchem-2045	242	4	of	of	ADP
eurjchem-2045	242	5	interest	interest	NOUN
eurjchem-2045	242	6	:	:	PUNCT
eurjchem-2045	242	7	the	the	DET
eurjchem-2045	242	8	authors	author	NOUN
eurjchem-2045	242	9	declare	declare	VERB
eurjchem-2045	242	10	that	that	SCONJ
eurjchem-2045	242	11	they	they	PRON
eurjchem-2045	242	12	have	have	VERB
eurjchem-2045	242	13	no	no	DET
eurjchem-2045	242	14	conflict	conflict	NOUN
eurjchem-2045	242	15	of	of	ADP
eurjchem-2045	242	16	interest	interest	NOUN
eurjchem-2045	242	17	.	.	PUNCT
eurjchem-2045	243	1	author	author	NOUN
eurjchem-2045	243	2	contributions	contribution	NOUN
eurjchem-2045	243	3	:	:	PUNCT
eurjchem-2045	243	4	all	all	DET
eurjchem-2045	243	5	authors	author	NOUN
eurjchem-2045	243	6	contributed	contribute	VERB
eurjchem-2045	243	7	equally	equally	ADV
eurjchem-2045	243	8	to	to	ADP
eurjchem-2045	243	9	this	this	DET
eurjchem-2045	243	10	work	work	NOUN
eurjchem-2045	243	11	.	.	PUNCT
eurjchem-2045	244	1	ethical	ethical	ADJ
eurjchem-2045	244	2	approval	approval	NOUN
eurjchem-2045	244	3	:	:	PUNCT
eurjchem-2045	245	1	all	all	DET
eurjchem-2045	245	2	ethical	ethical	ADJ
eurjchem-2045	245	3	guidelines	guideline	NOUN
eurjchem-2045	245	4	have	have	AUX
eurjchem-2045	245	5	been	be	AUX
eurjchem-2045	245	6	adhered	adhere	VERB
eurjchem-2045	245	7	.	.	PUNCT
eurjchem-2045	246	1	sample	sample	NOUN
eurjchem-2045	246	2	availability	availability	NOUN
eurjchem-2045	246	3	:	:	PUNCT
eurjchem-2045	246	4	samples	sample	NOUN
eurjchem-2045	246	5	of	of	ADP
eurjchem-2045	246	6	the	the	DET
eurjchem-2045	246	7	compounds	compound	NOUN
eurjchem-2045	246	8	are	be	AUX
eurjchem-2045	246	9	available	available	ADJ
eurjchem-2045	246	10	from	from	ADP
eurjchem-2045	246	11	the	the	DET
eurjchem-2045	246	12	author	author	NOUN
eurjchem-2045	246	13	.	.	PUNCT
eurjchem-2045	247	1	orcid	orcid	NOUN
eurjchem-2045	247	2	toyese	toyese	PROPN
eurjchem-2045	247	3	oyegoke	oyegoke	VERB
eurjchem-2045	247	4	http://orcid.org/0000-0002-2026-6864	http://orcid.org/0000-0002-2026-6864	PROPN
eurjchem-2045	247	5	fadimatu	fadimatu	PROPN
eurjchem-2045	247	6	nyako	nyako	PROPN
eurjchem-2045	247	7	dabai	dabai	PROPN
eurjchem-2045	247	8	http://orcid.org/0000-0001-8708-4726	http://orcid.org/0000-0001-8708-4726	PROPN
eurjchem-2045	247	9	adamu	adamu	PROPN
eurjchem-2045	247	10	uzairu	uzairu	PROPN
eurjchem-2045	247	11	http://orcid.org/0000-0002-6973-6361	http://orcid.org/0000-0002-6973-6361	PROPN
eurjchem-2045	247	12	baba	baba	PROPN
eurjchem-2045	248	1	el	el	PROPN
eurjchem-2045	248	2	-	-	PROPN
eurjchem-2045	248	3	yakubu	yakubu	PROPN
eurjchem-2045	248	4	jibril	jibril	PROPN
eurjchem-2045	248	5	http://orcid.org/0000-0002-0323-2726	http://orcid.org/0000-0002-0323-2726	PROPN
eurjchem-2045	248	6	references	reference	NOUN
eurjchem-2045	248	7	[	[	X
eurjchem-2045	248	8	1	1	NUM
eurjchem-2045	248	9	]	]	PUNCT
eurjchem-2045	248	10	.	.	PUNCT
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eurjchem-2045	249	2	,	,	PUNCT
eurjchem-2045	249	3	h.	h.	PROPN
eurjchem-2045	249	4	a.	a.	PROPN
eurjchem-2045	249	5	;	;	PUNCT
eurjchem-2045	249	6	reuben	reuben	PROPN
eurjchem-2045	249	7	,	,	PUNCT
eurjchem-2045	249	8	b.	b.	PROPN
eurjchem-2045	249	9	g.	g.	PROPN
eurjchem-2045	249	10	;	;	PUNCT
eurjchem-2045	249	11	plotkin	plotkin	PROPN
eurjchem-2045	249	12	,	,	PUNCT
eurjchem-2045	249	13	j.	j.	PROPN
eurjchem-2045	249	14	s.	s.	PROPN
eurjchem-2045	249	15	ind	ind	PROPN
eurjchem-2045	249	16	.	.	PUNCT
eurjchem-2045	250	1	organic	organic	ADJ
eurjchem-2045	250	2	chemicals	chemical	NOUN
eurjchem-2045	250	3	,	,	PUNCT
eurjchem-2045	250	4	2nd	2nd	PROPN
eurjchem-2045	250	5	edition	edition	NOUN
eurjchem-2045	250	6	,	,	PUNCT
eurjchem-2045	250	7	wittcoff	wittcoff	NOUN
eurjchem-2045	250	8	:	:	PUNCT
eurjchem-2045	250	9	wiley	wiley	PROPN
eurjchem-2045	250	10	online	online	PROPN
eurjchem-2045	250	11	library	library	PROPN
eurjchem-2045	250	12	,	,	PUNCT
eurjchem-2045	250	13	2000	2000	NUM
eurjchem-2045	250	14	.	.	PUNCT
eurjchem-2045	251	1	[	[	X
eurjchem-2045	251	2	2	2	NUM
eurjchem-2045	251	3	]	]	PUNCT
eurjchem-2045	251	4	.	.	PUNCT
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eurjchem-2045	252	2	,	,	PUNCT
eurjchem-2045	252	3	j.	j.	PROPN
eurjchem-2045	252	4	c.	c.	PROPN
eurjchem-2045	252	5	survey	survey	PROPN
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eurjchem-2045	253	1	[	[	X
eurjchem-2045	253	2	3	3	NUM
eurjchem-2045	253	3	]	]	PUNCT
eurjchem-2045	253	4	.	.	PUNCT
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eurjchem-2045	254	5	the	the	DET
eurjchem-2045	254	6	merck	merck	PROPN
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eurjchem-2045	254	10	edition	edition	NOUN
eurjchem-2045	254	11	ed	ed	NOUN
eurjchem-2045	254	12	.	.	PROPN
eurjchem-2045	254	13	,	,	PUNCT
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eurjchem-2045	254	16	:	:	PUNCT
eurjchem-2045	254	17	merck	merck	PROPN
eurjchem-2045	254	18	&	&	CCONJ
eurjchem-2045	254	19	co.	co.	PROPN
eurjchem-2045	254	20	,	,	PUNCT
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eurjchem-2045	256	10	,	,	PUNCT
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eurjchem-2045	256	12	;	;	PUNCT
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eurjchem-2045	256	26	4	4	NUM
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eurjchem-2045	256	31	322	322	NUM
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eurjchem-2045	257	2	5	5	NUM
eurjchem-2045	257	3	]	]	PUNCT
eurjchem-2045	257	4	.	.	PUNCT
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eurjchem-2045	290	3	]	]	PUNCT
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eurjchem-2045	293	2	,	,	PUNCT
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eurjchem-2045	298	2	,	,	PUNCT
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eurjchem-2045	298	4	,	,	PUNCT
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eurjchem-2045	300	2	,	,	PUNCT
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eurjchem-2045	363	19	b.	b.	PROPN
eurjchem-2045	363	20	;	;	PUNCT
eurjchem-2045	363	21	michorczyk	michorczyk	PROPN
eurjchem-2045	363	22	,	,	PUNCT
eurjchem-2045	363	23	p.	p.	NOUN
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eurjchem-2045	363	25	2017	2017	NUM
eurjchem-2045	363	26	,	,	PUNCT
eurjchem-2045	363	27	7(249	7(249	NUM
eurjchem-2045	363	28	)	)	PUNCT
eurjchem-2045	363	29	,	,	PUNCT
eurjchem-2045	363	30	7	7	NUM
eurjchem-2045	363	31	-	-	SYM
eurjchem-2045	363	32	8	8	NUM
eurjchem-2045	363	33	.	.	PUNCT
eurjchem-2045	364	1	[	[	X
eurjchem-2045	364	2	40	40	NUM
eurjchem-2045	364	3	]	]	PUNCT
eurjchem-2045	364	4	.	.	PUNCT
eurjchem-2045	365	1	yu	yu	PROPN
eurjchem-2045	365	2	-	-	PUNCT
eurjchem-2045	365	3	jue	jue	PROPN
eurjchem-2045	365	4	,	,	PUNCT
eurjchem-2045	365	5	d.	d.	PROPN
eurjchem-2045	365	6	;	;	PUNCT
eurjchem-2045	365	7	li	li	PROPN
eurjchem-2045	365	8	,	,	PUNCT
eurjchem-2045	365	9	z.	z.	PROPN
eurjchem-2045	365	10	h.	h.	PROPN
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eurjchem-2045	365	13	,	,	PUNCT
eurjchem-2045	365	14	k.	k.	PROPN
eurjchem-2045	365	15	n.	n.	PROPN
eurjchem-2045	365	16	j.	j.	PROPN
eurjchem-2045	365	17	mol	mol	PROPN
eurjchem-2045	365	18	.	.	PROPN
eurjchem-2045	365	19	catal	catal	PROPN
eurjchem-2045	365	20	.	.	PUNCT
eurjchem-2045	366	1	a	a	DET
eurjchem-2045	366	2	:	:	PUNCT
eurjchem-2045	366	3	gen	gen	PROPN
eurjchem-2045	366	4	.	.	PROPN
eurjchem-2045	366	5	2013	2013	NUM
eurjchem-2045	366	6	,	,	PUNCT
eurjchem-2045	366	7	379	379	NUM
eurjchem-2045	366	8	,	,	PUNCT
eurjchem-2045	366	9	122	122	NUM
eurjchem-2045	366	10	-	-	SYM
eurjchem-2045	366	11	138	138	NUM
eurjchem-2045	366	12	.	.	PUNCT
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eurjchem-2045	367	2	©	©	PROPN
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eurjchem-2045	367	5	authors	author	NOUN
eurjchem-2045	367	6	.	.	PUNCT
eurjchem-2045	368	1	this	this	DET
eurjchem-2045	368	2	work	work	NOUN
eurjchem-2045	368	3	is	be	AUX
eurjchem-2045	368	4	published	publish	VERB
eurjchem-2045	368	5	and	and	CCONJ
eurjchem-2045	368	6	licensed	license	VERB
eurjchem-2045	368	7	by	by	ADP
eurjchem-2045	368	8	atlanta	atlanta	PROPN
eurjchem-2045	368	9	publishing	publishing	PROPN
eurjchem-2045	368	10	house	house	PROPN
eurjchem-2045	368	11	llc	llc	PROPN
eurjchem-2045	368	12	,	,	PUNCT
eurjchem-2045	368	13	atlanta	atlanta	PROPN
eurjchem-2045	368	14	,	,	PUNCT
eurjchem-2045	368	15	ga	ga	PROPN
eurjchem-2045	368	16	,	,	PUNCT
eurjchem-2045	368	17	usa	usa	PROPN
eurjchem-2045	368	18	.	.	PUNCT
eurjchem-2045	369	1	the	the	DET
eurjchem-2045	369	2	full	full	ADJ
eurjchem-2045	369	3	terms	term	NOUN
eurjchem-2045	369	4	of	of	ADP
eurjchem-2045	369	5	this	this	DET
eurjchem-2045	369	6	license	license	NOUN
eurjchem-2045	369	7	are	be	AUX
eurjchem-2045	369	8	available	available	ADJ
eurjchem-2045	369	9	at	at	ADP
eurjchem-2045	369	10	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2045	369	11	and	and	CCONJ
eurjchem-2045	369	12	incorporate	incorporate	VERB
eurjchem-2045	369	13	the	the	DET
eurjchem-2045	369	14	creative	creative	ADJ
eurjchem-2045	369	15	commons	common	NOUN
eurjchem-2045	369	16	attribution	attribution	NOUN
eurjchem-2045	369	17	-	-	PUNCT
eurjchem-2045	369	18	non	non	ADJ
eurjchem-2045	369	19	commercial	commercial	NOUN
eurjchem-2045	369	20	(	(	PUNCT
eurjchem-2045	369	21	cc	cc	NOUN
eurjchem-2045	369	22	by	by	ADP
eurjchem-2045	369	23	nc	nc	PROPN
eurjchem-2045	369	24	)	)	PUNCT
eurjchem-2045	369	25	(	(	PUNCT
eurjchem-2045	369	26	international	international	ADJ
eurjchem-2045	369	27	,	,	PUNCT
eurjchem-2045	369	28	v4.0	v4.0	NOUN
eurjchem-2045	369	29	)	)	PUNCT
eurjchem-2045	369	30	license	license	NOUN
eurjchem-2045	369	31	(	(	PUNCT
eurjchem-2045	369	32	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	NOUN
eurjchem-2045	369	33	)	)	PUNCT
eurjchem-2045	369	34	.	.	PUNCT
eurjchem-2045	370	1	by	by	ADP
eurjchem-2045	370	2	accessing	access	VERB
eurjchem-2045	370	3	the	the	DET
eurjchem-2045	370	4	work	work	NOUN
eurjchem-2045	370	5	,	,	PUNCT
eurjchem-2045	370	6	you	you	PRON
eurjchem-2045	370	7	hereby	hereby	ADV
eurjchem-2045	370	8	accept	accept	VERB
eurjchem-2045	370	9	the	the	DET
eurjchem-2045	370	10	terms	term	NOUN
eurjchem-2045	370	11	.	.	PUNCT
eurjchem-2045	371	1	this	this	PRON
eurjchem-2045	371	2	is	be	AUX
eurjchem-2045	371	3	an	an	DET
eurjchem-2045	371	4	open	open	ADJ
eurjchem-2045	371	5	access	access	NOUN
eurjchem-2045	371	6	article	article	NOUN
eurjchem-2045	371	7	distributed	distribute	VERB
eurjchem-2045	371	8	under	under	ADP
eurjchem-2045	371	9	the	the	DET
eurjchem-2045	371	10	terms	term	NOUN
eurjchem-2045	371	11	and	and	CCONJ
eurjchem-2045	371	12	conditions	condition	NOUN
eurjchem-2045	371	13	of	of	ADP
eurjchem-2045	371	14	the	the	DET
eurjchem-2045	371	15	cc	cc	PROPN
eurjchem-2045	371	16	by	by	ADP
eurjchem-2045	371	17	nc	nc	PROPN
eurjchem-2045	371	18	license	license	PROPN
eurjchem-2045	371	19	,	,	PUNCT
eurjchem-2045	371	20	which	which	PRON
eurjchem-2045	371	21	permits	permit	VERB
eurjchem-2045	371	22	unrestricted	unrestricted	ADJ
eurjchem-2045	371	23	non	non	ADJ
eurjchem-2045	371	24	-	-	ADJ
eurjchem-2045	371	25	commercial	commercial	ADJ
eurjchem-2045	371	26	use	use	NOUN
eurjchem-2045	371	27	,	,	PUNCT
eurjchem-2045	371	28	distribution	distribution	NOUN
eurjchem-2045	371	29	,	,	PUNCT
eurjchem-2045	371	30	and	and	CCONJ
eurjchem-2045	371	31	reproduction	reproduction	NOUN
eurjchem-2045	371	32	in	in	ADP
eurjchem-2045	371	33	any	any	DET
eurjchem-2045	371	34	medium	medium	NOUN
eurjchem-2045	371	35	,	,	PUNCT
eurjchem-2045	371	36	provided	provide	VERB
eurjchem-2045	371	37	the	the	DET
eurjchem-2045	371	38	original	original	ADJ
eurjchem-2045	371	39	work	work	NOUN
eurjchem-2045	371	40	is	be	AUX
eurjchem-2045	371	41	properly	properly	ADV
eurjchem-2045	371	42	cited	cite	VERB
eurjchem-2045	371	43	without	without	ADP
eurjchem-2045	371	44	any	any	DET
eurjchem-2045	371	45	further	further	ADJ
eurjchem-2045	371	46	permission	permission	NOUN
eurjchem-2045	371	47	from	from	ADP
eurjchem-2045	371	48	atlanta	atlanta	PROPN
eurjchem-2045	371	49	publishing	publishing	PROPN
eurjchem-2045	371	50	house	house	PROPN
eurjchem-2045	371	51	llc	llc	PROPN
eurjchem-2045	371	52	(	(	PUNCT
eurjchem-2045	371	53	european	european	PROPN
eurjchem-2045	371	54	journal	journal	PROPN
eurjchem-2045	371	55	of	of	ADP
eurjchem-2045	371	56	chemistry	chemistry	NOUN
eurjchem-2045	371	57	)	)	PUNCT
eurjchem-2045	371	58	.	.	PUNCT
eurjchem-2045	372	1	no	no	DET
eurjchem-2045	372	2	use	use	NOUN
eurjchem-2045	372	3	,	,	PUNCT
eurjchem-2045	372	4	distribution	distribution	NOUN
eurjchem-2045	372	5	or	or	CCONJ
eurjchem-2045	372	6	reproduction	reproduction	NOUN
eurjchem-2045	372	7	is	be	AUX
eurjchem-2045	372	8	permitted	permit	VERB
eurjchem-2045	372	9	which	which	PRON
eurjchem-2045	372	10	does	do	AUX
eurjchem-2045	372	11	not	not	PART
eurjchem-2045	372	12	comply	comply	VERB
eurjchem-2045	372	13	with	with	ADP
eurjchem-2045	372	14	these	these	DET
eurjchem-2045	372	15	terms	term	NOUN
eurjchem-2045	372	16	.	.	PUNCT
eurjchem-2045	373	1	permissions	permission	NOUN
eurjchem-2045	373	2	for	for	ADP
eurjchem-2045	373	3	commercial	commercial	ADJ
eurjchem-2045	373	4	use	use	NOUN
eurjchem-2045	373	5	of	of	ADP
eurjchem-2045	373	6	this	this	DET
eurjchem-2045	373	7	work	work	NOUN
eurjchem-2045	373	8	beyond	beyond	ADP
eurjchem-2045	373	9	the	the	DET
eurjchem-2045	373	10	scope	scope	NOUN
eurjchem-2045	373	11	of	of	ADP
eurjchem-2045	373	12	the	the	DET
eurjchem-2045	373	13	license	license	NOUN
eurjchem-2045	373	14	(	(	PUNCT
eurjchem-2045	373	15	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2045	373	16	)	)	PUNCT
eurjchem-2045	373	17	are	be	AUX
eurjchem-2045	373	18	administered	administer	VERB
eurjchem-2045	373	19	by	by	ADP
eurjchem-2045	373	20	atlanta	atlanta	PROPN
eurjchem-2045	373	21	publishing	publishing	PROPN
eurjchem-2045	373	22	house	house	PROPN
eurjchem-2045	373	23	llc	llc	PROPN
eurjchem-2045	373	24	(	(	PUNCT
eurjchem-2045	373	25	european	european	PROPN
eurjchem-2045	373	26	journal	journal	PROPN
eurjchem-2045	373	27	of	of	ADP
eurjchem-2045	373	28	chemistry	chemistry	NOUN
eurjchem-2045	373	29	)	)	PUNCT
eurjchem-2045	373	30	.	.	PUNCT
eurjchem-2045	374	1	http://spectrabase.com/spectrum/k4fprhbxdi3	http://spectrabase.com/spectrum/k4fprhbxdi3	NOUN
eurjchem-2045	374	2	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	PROPN
eurjchem-2045	374	3	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-2045	374	4	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2045	374	5	1	1	NUM
eurjchem-2045	374	6	.	.	PUNCT
eurjchem-2045	375	1	introduction	introduction	NOUN
eurjchem-2045	375	2	2	2	NUM
eurjchem-2045	375	3	.	.	PUNCT
eurjchem-2045	375	4	methods	method	NOUN
eurjchem-2045	375	5	2.1	2.1	NUM
eurjchem-2045	375	6	.	.	PUNCT
eurjchem-2045	376	1	theoretical	theoretical	ADJ
eurjchem-2045	376	2	background	background	NOUN
eurjchem-2045	376	3	2.2	2.2	NUM
eurjchem-2045	376	4	.	.	PUNCT
eurjchem-2045	377	1	thermodynamic	thermodynamic	ADJ
eurjchem-2045	377	2	calculation	calculation	NOUN
eurjchem-2045	377	3	of	of	ADP
eurjchem-2045	377	4	free	free	ADJ
eurjchem-2045	377	5	energy	energy	NOUN
eurjchem-2045	377	6	2.2.1	2.2.1	NUM
eurjchem-2045	377	7	.	.	PUNCT
eurjchem-2045	378	1	gas	gas	NOUN
eurjchem-2045	378	2	-	-	PUNCT
eurjchem-2045	378	3	phase	phase	NOUN
eurjchem-2045	378	4	species	specie	NOUN
eurjchem-2045	378	5	2.2.2	2.2.2	NUM
eurjchem-2045	378	6	.	.	PUNCT
eurjchem-2045	378	7	catalyst	catalyst	NOUN
eurjchem-2045	378	8	slab	slab	NOUN
eurjchem-2045	378	9	2.2.3	2.2.3	NUM
eurjchem-2045	378	10	.	.	PUNCT
eurjchem-2045	379	1	surface	surface	NOUN
eurjchem-2045	379	2	species	specie	NOUN
eurjchem-2045	379	3	2.3	2.3	NUM
eurjchem-2045	379	4	.	.	PUNCT
eurjchem-2045	380	1	reaction	reaction	NOUN
eurjchem-2045	380	2	mechanism	mechanism	NOUN
eurjchem-2045	380	3	scheme	scheme	NOUN
eurjchem-2045	380	4	3	3	NUM
eurjchem-2045	380	5	.	.	NOUN
eurjchem-2045	380	6	results	result	NOUN
eurjchem-2045	380	7	and	and	CCONJ
eurjchem-2045	380	8	discussions	discussion	NOUN
eurjchem-2045	380	9	3.1	3.1	NUM
eurjchem-2045	380	10	.	.	PUNCT
eurjchem-2045	381	1	evaluation	evaluation	NOUN
eurjchem-2045	381	2	of	of	ADP
eurjchem-2045	381	3	catalyst	catalyst	NOUN
eurjchem-2045	381	4	cluster	cluster	NOUN
eurjchem-2045	381	5	accuracy	accuracy	NOUN
eurjchem-2045	381	6	in	in	ADP
eurjchem-2045	381	7	the	the	DET
eurjchem-2045	381	8	modelling	modelling	NOUN
eurjchem-2045	381	9	of	of	ADP
eurjchem-2045	381	10	cr2o3	cr2o3	PROPN
eurjchem-2045	381	11	3.2	3.2	NUM
eurjchem-2045	381	12	.	.	PUNCT
eurjchem-2045	382	1	energy	energy	NOUN
eurjchem-2045	382	2	barriers	barrier	NOUN
eurjchem-2045	382	3	in	in	ADP
eurjchem-2045	382	4	reaction	reaction	NOUN
eurjchem-2045	382	5	paths	path	NOUN
eurjchem-2045	382	6	and	and	CCONJ
eurjchem-2045	382	7	the	the	DET
eurjchem-2045	382	8	active	active	ADJ
eurjchem-2045	382	9	sites	site	NOUN
eurjchem-2045	382	10	in	in	ADP
eurjchem-2045	382	11	the	the	DET
eurjchem-2045	382	12	elementary	elementary	ADJ
eurjchem-2045	382	13	steps	step	NOUN
eurjchem-2045	382	14	3.3	3.3	NUM
eurjchem-2045	382	15	.	.	PUNCT
eurjchem-2045	383	1	evaluation	evaluation	NOUN
eurjchem-2045	383	2	of	of	ADP
eurjchem-2045	383	3	the	the	DET
eurjchem-2045	383	4	reaction	reaction	NOUN
eurjchem-2045	383	5	energy	energy	NOUN
eurjchem-2045	383	6	demands	demand	NOUN
eurjchem-2045	383	7	and	and	CCONJ
eurjchem-2045	383	8	influence	influence	NOUN
eurjchem-2045	383	9	of	of	ADP
eurjchem-2045	383	10	the	the	DET
eurjchem-2045	383	11	active	active	ADJ
eurjchem-2045	383	12	sites	site	NOUN
eurjchem-2045	383	13	3.4	3.4	NUM
eurjchem-2045	383	14	.	.	PUNCT
eurjchem-2045	384	1	evaluation	evaluation	NOUN
eurjchem-2045	384	2	of	of	ADP
eurjchem-2045	384	3	thermodynamic	thermodynamic	ADJ
eurjchem-2045	384	4	feasibility	feasibility	NOUN
eurjchem-2045	384	5	of	of	ADP
eurjchem-2045	384	6	a	a	DET
eurjchem-2045	384	7	different	different	ADJ
eurjchem-2045	384	8	reaction	reaction	NOUN
eurjchem-2045	384	9	route	route	NOUN
eurjchem-2045	384	10	or	or	CCONJ
eurjchem-2045	384	11	path	path	NOUN
eurjchem-2045	384	12	and	and	CCONJ
eurjchem-2045	384	13	the	the	DET
eurjchem-2045	384	14	identification	identification	NOUN
eurjchem-2045	384	15	of	of	ADP
eurjchem-2045	384	16	potential	potential	ADJ
eurjchem-2045	384	17	rate	rate	NOUN
eurjchem-2045	384	18	-	-	PUNCT
eurjchem-2045	384	19	limiting	limit	VERB
eurjchem-2045	384	20	steps	step	NOUN
eurjchem-2045	384	21	in	in	ADP
eurjchem-2045	384	22	the	the	DET
eurjchem-2045	384	23	dehydrogenation	dehydrogenation	NOUN
eurjchem-2045	384	24	process	process	NOUN
eurjchem-2045	384	25	4	4	NUM
eurjchem-2045	384	26	.	.	PUNCT
eurjchem-2045	385	1	conclusions	conclusion	NOUN
eurjchem-2045	385	2	acknowledgment	acknowledgment	NOUN
eurjchem-2045	385	3	disclosure	disclosure	NOUN
eurjchem-2045	385	4	statement	statement	NOUN
eurjchem-2045	385	5	orcid	orcid	PROPN
eurjchem-2045	385	6	references	reference	NOUN
eurjchem-2045	385	7	printfield10	printfield10	NOUN
eurjchem-2045	385	8	:	:	PUNCT
eurjchem-2045	385	9	printfield11	printfield11	NOUN
eurjchem-2045	385	10	:	:	PUNCT
eurjchem-2045	385	11	printfield12	printfield12	PROPN
eurjchem-2045	385	12	:	:	PUNCT
eurjchem-2045	385	13	printfield13	printfield13	VERB
eurjchem-2045	385	14	:	:	PUNCT
eurjchem-2045	385	15	printfield14	printfield14	NOUN
eurjchem-2045	385	16	:	:	PUNCT
eurjchem-2045	385	17	printfield15	printfield15	NOUN
eurjchem-2045	385	18	:	:	PUNCT
eurjchem-2045	385	19	printfield16	printfield16	ADJ
eurjchem-2045	385	20	:	:	PUNCT
eurjchem-2045	385	21	printfield17	printfield17	NOUN
eurjchem-2045	385	22	:	:	PUNCT
eurjchem-2045	385	23	printfield18	printfield18	NOUN
eurjchem-2045	385	24	:	:	PUNCT
eurjchem-2045	385	25	printfield20	printfield20	PROPN
eurjchem-2045	385	26	:	:	PUNCT
eurjchem-2045	385	27	printfield21	printfield21	ADJ
eurjchem-2045	385	28	:	:	PUNCT
eurjchem-2045	385	29	printfield22	printfield22	NOUN
eurjchem-2045	385	30	:	:	PUNCT
eurjchem-2045	385	31	printfield23	printfield23	NOUN
eurjchem-2045	385	32	:	:	PUNCT
eurjchem-2045	385	33	printfield24	printfield24	NOUN
eurjchem-2045	385	34	:	:	PUNCT
eurjchem-2045	385	35	printfield25	printfield25	NOUN
eurjchem-2045	385	36	:	:	PUNCT
eurjchem-2045	385	37	printfield26	printfield26	ADJ
eurjchem-2045	385	38	:	:	PUNCT
eurjchem-2045	385	39	printfield27	printfield27	NOUN
eurjchem-2045	385	40	:	:	PUNCT
eurjchem-2045	385	41	printfield28	printfield28	NOUN
eurjchem-2045	385	42	:	:	PUNCT