id	sid	tid	token	lemma	pos
dz010p1216s	1	1	computational	computational	ADJ
dz010p1216s	1	2	modeling	modeling	NOUN
dz010p1216s	1	3	of	of	ADP
dz010p1216s	1	4	heterogeneous	heterogeneous	ADJ
dz010p1216s	1	5	catalysis	catalysis	NOUN
dz010p1216s	1	6	relies	rely	VERB
dz010p1216s	1	7	on	on	ADP
dz010p1216s	1	8	our	our	PRON
dz010p1216s	1	9	ability	ability	NOUN
dz010p1216s	1	10	to	to	PART
dz010p1216s	1	11	efficiently	efficiently	ADV
dz010p1216s	1	12	model	model	VERB
dz010p1216s	1	13	the	the	DET
dz010p1216s	1	14	free	free	ADJ
dz010p1216s	1	15	energies	energy	NOUN
dz010p1216s	1	16	of	of	ADP
dz010p1216s	1	17	adsorption	adsorption	NOUN
dz010p1216s	1	18	.	.	PUNCT
dz010p1216s	2	1	these	these	DET
dz010p1216s	2	2	free	free	ADJ
dz010p1216s	2	3	energies	energy	NOUN
dz010p1216s	2	4	depend	depend	VERB
dz010p1216s	2	5	on	on	ADP
dz010p1216s	2	6	a	a	DET
dz010p1216s	2	7	number	number	NOUN
dz010p1216s	2	8	of	of	ADP
dz010p1216s	2	9	factors	factor	NOUN
dz010p1216s	2	10	,	,	PUNCT
dz010p1216s	2	11	including	include	VERB
dz010p1216s	2	12	the	the	DET
dz010p1216s	2	13	nature	nature	NOUN
dz010p1216s	2	14	of	of	ADP
dz010p1216s	2	15	adsorbate	adsorbate	NOUN
dz010p1216s	2	16	/	/	SYM
dz010p1216s	2	17	surface	surface	NOUN
dz010p1216s	2	18	composition	composition	NOUN
dz010p1216s	2	19	,	,	PUNCT
dz010p1216s	2	20	system	system	NOUN
dz010p1216s	2	21	temperature	temperature	NOUN
dz010p1216s	2	22	,	,	PUNCT
dz010p1216s	2	23	gas	gas	NOUN
dz010p1216s	2	24	phase	phase	NOUN
dz010p1216s	2	25	reactant	reactant	ADJ
dz010p1216s	2	26	and	and	CCONJ
dz010p1216s	2	27	product	product	NOUN
dz010p1216s	2	28	partial	partial	ADJ
dz010p1216s	2	29	pressures	pressure	NOUN
dz010p1216s	2	30	,	,	PUNCT
dz010p1216s	2	31	and	and	CCONJ
dz010p1216s	2	32	adsorbate	adsorbate	ADJ
dz010p1216s	2	33	coverage	coverage	NOUN
dz010p1216s	2	34	.	.	PUNCT
dz010p1216s	3	1	under	under	ADP
dz010p1216s	3	2	a	a	DET
dz010p1216s	3	3	given	give	VERB
dz010p1216s	3	4	set	set	NOUN
dz010p1216s	3	5	of	of	ADP
dz010p1216s	3	6	conditions	condition	NOUN
dz010p1216s	3	7	,	,	PUNCT
dz010p1216s	3	8	the	the	DET
dz010p1216s	3	9	system	system	NOUN
dz010p1216s	3	10	attempts	attempt	VERB
dz010p1216s	3	11	to	to	PART
dz010p1216s	3	12	minimize	minimize	VERB
dz010p1216s	3	13	its	its	PRON
dz010p1216s	3	14	free	free	ADJ
dz010p1216s	3	15	energy	energy	NOUN
dz010p1216s	3	16	.	.	PUNCT
dz010p1216s	4	1	the	the	DET
dz010p1216s	4	2	minimization	minimization	NOUN
dz010p1216s	4	3	of	of	ADP
dz010p1216s	4	4	free	free	ADJ
dz010p1216s	4	5	energy	energy	NOUN
dz010p1216s	4	6	is	be	AUX
dz010p1216s	4	7	driven	drive	VERB
dz010p1216s	4	8	by	by	ADP
dz010p1216s	4	9	two	two	NUM
dz010p1216s	4	10	competing	compete	VERB
dz010p1216s	4	11	factors	factor	NOUN
dz010p1216s	4	12	:	:	PUNCT
dz010p1216s	4	13	energetic	energetic	ADJ
dz010p1216s	4	14	driving	driving	NOUN
dz010p1216s	4	15	force	force	NOUN
dz010p1216s	4	16	for	for	ADP
dz010p1216s	4	17	creating	create	VERB
dz010p1216s	4	18	adsorbate	adsorbate	ADJ
dz010p1216s	4	19	-	-	PUNCT
dz010p1216s	4	20	surface	surface	NOUN
dz010p1216s	4	21	bonds	bond	NOUN
dz010p1216s	4	22	and	and	CCONJ
dz010p1216s	4	23	the	the	DET
dz010p1216s	4	24	entropic	entropic	ADJ
dz010p1216s	4	25	cost	cost	NOUN
dz010p1216s	4	26	of	of	ADP
dz010p1216s	4	27	reducing	reduce	VERB
dz010p1216s	4	28	the	the	DET
dz010p1216s	4	29	degrees	degree	NOUN
dz010p1216s	4	30	of	of	ADP
dz010p1216s	4	31	freedom	freedom	NOUN
dz010p1216s	4	32	of	of	ADP
dz010p1216s	4	33	an	an	DET
dz010p1216s	4	34	adsorbate	adsorbate	NOUN
dz010p1216s	4	35	as	as	SCONJ
dz010p1216s	4	36	it	it	PRON
dz010p1216s	4	37	moves	move	VERB
dz010p1216s	4	38	from	from	ADP
dz010p1216s	4	39	a	a	DET
dz010p1216s	4	40	fluid	fluid	ADJ
dz010p1216s	4	41	phase	phase	NOUN
dz010p1216s	4	42	to	to	ADP
dz010p1216s	4	43	the	the	DET
dz010p1216s	4	44	surface	surface	NOUN
dz010p1216s	4	45	.	.	PUNCT
dz010p1216s	5	1	standard	standard	ADJ
dz010p1216s	5	2	density	density	NOUN
dz010p1216s	5	3	functional	functional	ADJ
dz010p1216s	5	4	theory	theory	NOUN
dz010p1216s	5	5	(	(	PUNCT
dz010p1216s	5	6	dft	dft	NOUN
dz010p1216s	5	7	)	)	PUNCT
dz010p1216s	5	8	approaches	approach	NOUN
dz010p1216s	5	9	begin	begin	VERB
dz010p1216s	5	10	with	with	ADP
dz010p1216s	5	11	the	the	DET
dz010p1216s	5	12	optimization	optimization	NOUN
dz010p1216s	5	13	of	of	ADP
dz010p1216s	5	14	the	the	DET
dz010p1216s	5	15	location	location	NOUN
dz010p1216s	5	16	of	of	ADP
dz010p1216s	5	17	an	an	DET
dz010p1216s	5	18	adsorbate	adsorbate	NOUN
dz010p1216s	5	19	on	on	ADP
dz010p1216s	5	20	a	a	DET
dz010p1216s	5	21	surface	surface	NOUN
dz010p1216s	5	22	and	and	CCONJ
dz010p1216s	5	23	computation	computation	NOUN
dz010p1216s	5	24	of	of	ADP
dz010p1216s	5	25	the	the	DET
dz010p1216s	5	26	associated	associated	ADJ
dz010p1216s	5	27	binding	bind	VERB
dz010p1216s	5	28	energy	energy	NOUN
dz010p1216s	5	29	,	,	PUNCT
dz010p1216s	5	30	followed	follow	VERB
dz010p1216s	5	31	by	by	ADP
dz010p1216s	5	32	approximation	approximation	NOUN
dz010p1216s	5	33	of	of	ADP
dz010p1216s	5	34	internal	internal	ADJ
dz010p1216s	5	35	,	,	PUNCT
dz010p1216s	5	36	translational	translational	ADJ
dz010p1216s	5	37	,	,	PUNCT
dz010p1216s	5	38	and	and	CCONJ
dz010p1216s	5	39	configurational	configurational	ADJ
dz010p1216s	5	40	contributions	contribution	NOUN
dz010p1216s	5	41	to	to	ADP
dz010p1216s	5	42	the	the	DET
dz010p1216s	5	43	free	free	ADJ
dz010p1216s	5	44	energy	energy	NOUN
dz010p1216s	5	45	.	.	PUNCT
dz010p1216s	6	1	in	in	ADP
dz010p1216s	6	2	this	this	DET
dz010p1216s	6	3	work	work	NOUN
dz010p1216s	6	4	,	,	PUNCT
dz010p1216s	6	5	we	we	PRON
dz010p1216s	6	6	explored	explore	VERB
dz010p1216s	6	7	both	both	DET
dz010p1216s	6	8	the	the	DET
dz010p1216s	6	9	aspects	aspect	NOUN
dz010p1216s	6	10	of	of	ADP
dz010p1216s	6	11	free	free	ADJ
dz010p1216s	6	12	energy	energy	NOUN
dz010p1216s	6	13	,	,	PUNCT
dz010p1216s	6	14	the	the	DET
dz010p1216s	6	15	contribution	contribution	NOUN
dz010p1216s	6	16	from	from	ADP
dz010p1216s	6	17	creation	creation	NOUN
dz010p1216s	6	18	of	of	ADP
dz010p1216s	6	19	adsorbate	adsorbate	ADJ
dz010p1216s	6	20	-	-	PUNCT
dz010p1216s	6	21	surface	surface	NOUN
dz010p1216s	6	22	bonds	bond	NOUN
dz010p1216s	6	23	and	and	CCONJ
dz010p1216s	6	24	the	the	DET
dz010p1216s	6	25	estimation	estimation	NOUN
dz010p1216s	6	26	of	of	ADP
dz010p1216s	6	27	entropic	entropic	ADJ
dz010p1216s	6	28	contribution	contribution	NOUN
dz010p1216s	6	29	to	to	ADP
dz010p1216s	6	30	the	the	DET
dz010p1216s	6	31	free	free	ADJ
dz010p1216s	6	32	energy	energy	NOUN
dz010p1216s	6	33	.	.	PUNCT