id	sid	tid	token	lemma	pos
hjic-358	1	1	editorial	editorial	ADJ
hjic-358	1	2	hungarian	hungarian	ADJ
hjic-358	1	3	journal	journal	NOUN
hjic-358	1	4	of	of	ADP
hjic-358	1	5	industry	industry	NOUN
hjic-358	1	6	and	and	CCONJ
hjic-358	1	7	chemistry	chemistry	NOUN
hjic-358	1	8	veszprém	veszprém	NOUN
hjic-358	1	9	vol	vol	NOUN
hjic-358	1	10	.	.	PUNCT
hjic-358	2	1	42(1	42(1	NOUN
hjic-358	2	2	)	)	PUNCT
hjic-358	3	1	pp	pp	ADV
hjic-358	3	2	.	.	PUNCT
hjic-358	4	1	19–23	19–23	NUM
hjic-358	4	2	(	(	PUNCT
hjic-358	4	3	2014	2014	NUM
hjic-358	4	4	)	)	PUNCT
hjic-358	4	5	adsorption	adsorption	NOUN
hjic-358	4	6	and	and	CCONJ
hjic-358	4	7	intercalation	intercalation	NOUN
hjic-358	4	8	of	of	ADP
hjic-358	4	9	small	small	ADJ
hjic-358	4	10	molecules	molecule	NOUN
hjic-358	4	11	on	on	ADP
hjic-358	4	12	kaolinite	kaolinite	NOUN
hjic-358	4	13	from	from	ADP
hjic-358	4	14	molecular	molecular	ADJ
hjic-358	4	15	modelling	modelling	NOUN
hjic-358	4	16	studies	study	NOUN
hjic-358	4	17	attila	attila	PROPN
hjic-358	4	18	táborosi,1	táborosi,1	PROPN
hjic-358	4	19	!	!	PUNCT
hjic-358	5	1	róbert	róbert	VERB
hjic-358	5	2	kurdi,1	kurdi,1	PROPN
hjic-358	5	3	and	and	CCONJ
hjic-358	5	4	róbert	róbert	PROPN
hjic-358	5	5	k.	k.	PROPN
hjic-358	5	6	szilágyi2	szilágyi2	PROPN
hjic-358	5	7	1	1	NUM
hjic-358	5	8	surfaces	surface	NOUN
hjic-358	5	9	and	and	CCONJ
hjic-358	5	10	nanostructures	nanostructures	PROPN
hjic-358	5	11	laboratory	laboratory	PROPN
hjic-358	5	12	,	,	PUNCT
hjic-358	5	13	institute	institute	NOUN
hjic-358	5	14	of	of	ADP
hjic-358	5	15	environmental	environmental	ADJ
hjic-358	5	16	engineering	engineering	NOUN
hjic-358	5	17	,	,	PUNCT
hjic-358	5	18	university	university	NOUN
hjic-358	5	19	of	of	ADP
hjic-358	5	20	pannonia	pannonia	PROPN
hjic-358	5	21	,	,	PUNCT
hjic-358	5	22	veszprém	veszprém	NOUN
hjic-358	5	23	,	,	PUNCT
hjic-358	5	24	h-8201	h-8201	PROPN
hjic-358	5	25	,	,	PUNCT
hjic-358	5	26	hungary	hungary	PROPN
hjic-358	5	27	2	2	NUM
hjic-358	5	28	department	department	NOUN
hjic-358	5	29	of	of	ADP
hjic-358	5	30	chemistry	chemistry	NOUN
hjic-358	5	31	and	and	CCONJ
hjic-358	5	32	biochemistry	biochemistry	NOUN
hjic-358	5	33	,	,	PUNCT
hjic-358	5	34	montana	montana	PROPN
hjic-358	5	35	state	state	PROPN
hjic-358	5	36	university	university	PROPN
hjic-358	5	37	,	,	PUNCT
hjic-358	5	38	bozeman	bozeman	PROPN
hjic-358	5	39	,	,	PUNCT
hjic-358	5	40	mt	mt	PROPN
hjic-358	5	41	59717	59717	NUM
hjic-358	5	42	,	,	PUNCT
hjic-358	5	43	u.s.a	u.s.a	NOUN
hjic-358	5	44	.	.	PUNCT
hjic-358	5	45	!	!	PUNCT
hjic-358	6	1	e	e	X
hjic-358	6	2	-	-	NOUN
hjic-358	6	3	mail	mail	NOUN
hjic-358	6	4	:	:	PUNCT
hjic-358	6	5	taborosia@almos.uni-pannon.hu	taborosia@almos.uni-pannon.hu	PROPN
hjic-358	6	6	kaolinite	kaolinite	NOUN
hjic-358	6	7	is	be	AUX
hjic-358	6	8	an	an	DET
hjic-358	6	9	abundant	abundant	ADJ
hjic-358	6	10	natural	natural	ADJ
hjic-358	6	11	material	material	NOUN
hjic-358	6	12	with	with	ADP
hjic-358	6	13	considerable	considerable	ADJ
hjic-358	6	14	industrial	industrial	ADJ
hjic-358	6	15	potential	potential	NOUN
hjic-358	6	16	.	.	PUNCT
hjic-358	7	1	despite	despite	SCONJ
hjic-358	7	2	its	its	PRON
hjic-358	7	3	simple	simple	ADJ
hjic-358	7	4	composition	composition	NOUN
hjic-358	7	5	(	(	PUNCT
hjic-358	7	6	al2si2o5(oh)4	al2si2o5(oh)4	PROPN
hjic-358	7	7	and	and	CCONJ
hjic-358	7	8	layered	layered	ADJ
hjic-358	7	9	structure	structure	NOUN
hjic-358	7	10	being	be	AUX
hjic-358	7	11	a	a	DET
hjic-358	7	12	phyllosilicate	phyllosilicate	NOUN
hjic-358	7	13	)	)	PUNCT
hjic-358	7	14	,	,	PUNCT
hjic-358	7	15	it	it	PRON
hjic-358	7	16	is	be	AUX
hjic-358	7	17	notable	notable	ADJ
hjic-358	7	18	that	that	SCONJ
hjic-358	7	19	only	only	ADV
hjic-358	7	20	little	little	ADJ
hjic-358	7	21	known	know	VERB
hjic-358	7	22	about	about	ADP
hjic-358	7	23	the	the	DET
hjic-358	7	24	interaction	interaction	NOUN
hjic-358	7	25	of	of	ADP
hjic-358	7	26	kaolinite	kaolinite	NOUN
hjic-358	7	27	sheets	sheet	NOUN
hjic-358	7	28	with	with	ADP
hjic-358	7	29	small	small	ADJ
hjic-358	7	30	organic	organic	ADJ
hjic-358	7	31	reagents	reagent	NOUN
hjic-358	7	32	at	at	ADP
hjic-358	7	33	the	the	DET
hjic-358	7	34	molecular	molecular	ADJ
hjic-358	7	35	level	level	NOUN
hjic-358	7	36	.	.	PUNCT
hjic-358	8	1	these	these	PRON
hjic-358	8	2	assumed	assume	VERB
hjic-358	8	3	to	to	PART
hjic-358	8	4	govern	govern	VERB
hjic-358	8	5	intercalation	intercalation	NOUN
hjic-358	8	6	,	,	PUNCT
hjic-358	8	7	delamination	delamination	NOUN
hjic-358	8	8	,	,	PUNCT
hjic-358	8	9	and	and	CCONJ
hjic-358	8	10	then	then	ADV
hjic-358	8	11	the	the	DET
hjic-358	8	12	complete	complete	ADJ
hjic-358	8	13	exfoliation	exfoliation	NOUN
hjic-358	8	14	processes	process	NOUN
hjic-358	8	15	.	.	PUNCT
hjic-358	9	1	a	a	DET
hjic-358	9	2	common	common	ADJ
hjic-358	9	3	methodology	methodology	NOUN
hjic-358	9	4	to	to	PART
hjic-358	9	5	model	model	VERB
hjic-358	9	6	the	the	DET
hjic-358	9	7	molecular	molecular	ADJ
hjic-358	9	8	structure	structure	NOUN
hjic-358	9	9	of	of	ADP
hjic-358	9	10	kaolinite	kaolinite	NOUN
hjic-358	9	11	is	be	AUX
hjic-358	9	12	the	the	DET
hjic-358	9	13	employment	employment	NOUN
hjic-358	9	14	of	of	ADP
hjic-358	9	15	periodic	periodic	ADJ
hjic-358	9	16	boundary	boundary	ADJ
hjic-358	9	17	conditions	condition	NOUN
hjic-358	9	18	.	.	PUNCT
hjic-358	10	1	the	the	DET
hjic-358	10	2	application	application	NOUN
hjic-358	10	3	of	of	ADP
hjic-358	10	4	molecular	molecular	ADJ
hjic-358	10	5	cluster	cluster	NOUN
hjic-358	10	6	models	model	NOUN
hjic-358	10	7	gained	gain	VERB
hjic-358	10	8	importance	importance	NOUN
hjic-358	10	9	nowadays	nowadays	ADV
hjic-358	10	10	by	by	ADP
hjic-358	10	11	capitalizing	capitalize	VERB
hjic-358	10	12	on	on	ADP
hjic-358	10	13	the	the	DET
hjic-358	10	14	availability	availability	NOUN
hjic-358	10	15	of	of	ADP
hjic-358	10	16	wide	wide	ADJ
hjic-358	10	17	range	range	NOUN
hjic-358	10	18	of	of	ADP
hjic-358	10	19	theoretical	theoretical	ADJ
hjic-358	10	20	tools	tool	NOUN
hjic-358	10	21	for	for	ADP
hjic-358	10	22	describing	describe	VERB
hjic-358	10	23	structural	structural	ADJ
hjic-358	10	24	features	feature	NOUN
hjic-358	10	25	and	and	CCONJ
hjic-358	10	26	reaction	reaction	NOUN
hjic-358	10	27	mechanisms	mechanism	NOUN
hjic-358	10	28	.	.	PUNCT
hjic-358	11	1	in	in	ADP
hjic-358	11	2	this	this	DET
hjic-358	11	3	study	study	NOUN
hjic-358	11	4	,	,	PUNCT
hjic-358	11	5	we	we	PRON
hjic-358	11	6	present	present	VERB
hjic-358	11	7	our	our	PRON
hjic-358	11	8	results	result	NOUN
hjic-358	11	9	using	use	VERB
hjic-358	11	10	theoretical	theoretical	ADJ
hjic-358	11	11	methodologies	methodology	NOUN
hjic-358	11	12	and	and	CCONJ
hjic-358	11	13	modelling	model	VERB
hjic-358	11	14	strategies	strategy	NOUN
hjic-358	11	15	from	from	ADP
hjic-358	11	16	literature	literature	NOUN
hjic-358	11	17	that	that	PRON
hjic-358	11	18	are	be	AUX
hjic-358	11	19	applied	apply	VERB
hjic-358	11	20	for	for	ADP
hjic-358	11	21	adsorption	adsorption	NOUN
hjic-358	11	22	and	and	CCONJ
hjic-358	11	23	intercalation	intercalation	NOUN
hjic-358	11	24	of	of	ADP
hjic-358	11	25	urea	urea	NOUN
hjic-358	11	26	,	,	PUNCT
hjic-358	11	27	ethylene	ethylene	NOUN
hjic-358	11	28	glycol	glycol	NOUN
hjic-358	11	29	,	,	PUNCT
hjic-358	11	30	and	and	CCONJ
hjic-358	11	31	potassium	potassium	NOUN
hjic-358	11	32	acetate	acetate	NOUN
hjic-358	11	33	.	.	PUNCT
hjic-358	12	1	keywords	keyword	NOUN
hjic-358	12	2	:	:	PUNCT
hjic-358	12	3	kaolinite	kaolinite	NOUN
hjic-358	12	4	,	,	PUNCT
hjic-358	12	5	intercalation	intercalation	NOUN
hjic-358	12	6	,	,	PUNCT
hjic-358	12	7	adsorption	adsorption	NOUN
hjic-358	12	8	,	,	PUNCT
hjic-358	12	9	hydrogen	hydrogen	NOUN
hjic-358	12	10	bonding	bonding	NOUN
hjic-358	12	11	,	,	PUNCT
hjic-358	12	12	molecular	molecular	ADJ
hjic-358	12	13	cluster	cluster	NOUN
hjic-358	12	14	model	model	NOUN
hjic-358	12	15	introduction	introduction	NOUN
hjic-358	12	16	a	a	DET
hjic-358	12	17	significant	significant	ADJ
hjic-358	12	18	hindrance	hindrance	NOUN
hjic-358	12	19	in	in	ADP
hjic-358	12	20	the	the	DET
hjic-358	12	21	design	design	NOUN
hjic-358	12	22	,	,	PUNCT
hjic-358	12	23	optimization	optimization	NOUN
hjic-358	12	24	,	,	PUNCT
hjic-358	12	25	and	and	CCONJ
hjic-358	12	26	execution	execution	NOUN
hjic-358	12	27	of	of	ADP
hjic-358	12	28	experimental	experimental	ADJ
hjic-358	12	29	research	research	NOUN
hjic-358	12	30	involving	involve	VERB
hjic-358	12	31	clay	clay	NOUN
hjic-358	12	32	minerals	mineral	NOUN
hjic-358	12	33	is	be	AUX
hjic-358	12	34	the	the	DET
hjic-358	12	35	lack	lack	NOUN
hjic-358	12	36	of	of	ADP
hjic-358	12	37	our	our	PRON
hjic-358	12	38	understanding	understanding	NOUN
hjic-358	12	39	of	of	ADP
hjic-358	12	40	molecular	molecular	ADJ
hjic-358	12	41	level	level	NOUN
hjic-358	12	42	processes	process	NOUN
hjic-358	12	43	occurring	occur	VERB
hjic-358	12	44	at	at	ADP
hjic-358	12	45	the	the	DET
hjic-358	12	46	outer	outer	ADJ
hjic-358	12	47	(	(	PUNCT
hjic-358	12	48	adsorption	adsorption	NOUN
hjic-358	12	49	)	)	PUNCT
hjic-358	12	50	or	or	CCONJ
hjic-358	12	51	at	at	ADP
hjic-358	12	52	the	the	DET
hjic-358	12	53	inner	inner	ADJ
hjic-358	12	54	surface	surface	NOUN
hjic-358	12	55	(	(	PUNCT
hjic-358	12	56	intercalation	intercalation	NOUN
hjic-358	12	57	)	)	PUNCT
hjic-358	12	58	of	of	ADP
hjic-358	12	59	layers	layer	NOUN
hjic-358	12	60	of	of	ADP
hjic-358	12	61	clay	clay	NOUN
hjic-358	12	62	.	.	PUNCT
hjic-358	13	1	molecular	molecular	ADJ
hjic-358	13	2	modelling	modelling	NOUN
hjic-358	13	3	approaches	approach	NOUN
hjic-358	13	4	have	have	VERB
hjic-358	13	5	the	the	DET
hjic-358	13	6	potential	potential	NOUN
hjic-358	13	7	to	to	PART
hjic-358	13	8	aid	aid	VERB
hjic-358	13	9	experimental	experimental	ADJ
hjic-358	13	10	design	design	NOUN
hjic-358	13	11	,	,	PUNCT
hjic-358	13	12	mitigating	mitigate	VERB
hjic-358	13	13	cost	cost	NOUN
hjic-358	13	14	of	of	ADP
hjic-358	13	15	chemicals	chemical	NOUN
hjic-358	13	16	used	use	VERB
hjic-358	13	17	,	,	PUNCT
hjic-358	13	18	rationalizing	rationalize	VERB
hjic-358	13	19	unsuccessful	unsuccessful	ADJ
hjic-358	13	20	trial	trial	NOUN
hjic-358	13	21	-	-	PUNCT
hjic-358	13	22	and	and	CCONJ
hjic-358	13	23	-	-	PUNCT
hjic-358	13	24	error	error	NOUN
hjic-358	13	25	experiments	experiment	NOUN
hjic-358	13	26	,	,	PUNCT
hjic-358	13	27	and	and	CCONJ
hjic-358	13	28	thus	thus	ADV
hjic-358	13	29	contributing	contribute	VERB
hjic-358	13	30	to	to	ADP
hjic-358	13	31	tailored	tailor	VERB
hjic-358	13	32	utilization	utilization	NOUN
hjic-358	13	33	of	of	ADP
hjic-358	13	34	clay	clay	NOUN
hjic-358	13	35	minerals	mineral	NOUN
hjic-358	13	36	as	as	ADP
hjic-358	13	37	industrial	industrial	ADJ
hjic-358	13	38	raw	raw	ADJ
hjic-358	13	39	materials	material	NOUN
hjic-358	13	40	.	.	PUNCT
hjic-358	14	1	given	give	VERB
hjic-358	14	2	the	the	DET
hjic-358	14	3	periodic	periodic	ADJ
hjic-358	14	4	nature	nature	NOUN
hjic-358	14	5	of	of	ADP
hjic-358	14	6	the	the	DET
hjic-358	14	7	crystalline	crystalline	NOUN
hjic-358	14	8	clay	clay	NOUN
hjic-358	14	9	minerals	mineral	NOUN
hjic-358	14	10	,	,	PUNCT
hjic-358	14	11	a	a	DET
hjic-358	14	12	common	common	ADJ
hjic-358	14	13	approach	approach	NOUN
hjic-358	14	14	in	in	ADP
hjic-358	14	15	modelling	modelling	NOUN
hjic-358	14	16	is	be	AUX
hjic-358	14	17	the	the	DET
hjic-358	14	18	use	use	NOUN
hjic-358	14	19	of	of	ADP
hjic-358	14	20	periodic	periodic	ADJ
hjic-358	14	21	boundary	boundary	ADJ
hjic-358	14	22	conditions	condition	NOUN
hjic-358	14	23	[	[	X
hjic-358	14	24	1–4	1–4	X
hjic-358	14	25	]	]	X
hjic-358	14	26	.	.	PUNCT
hjic-358	15	1	a	a	DET
hjic-358	15	2	competitive	competitive	ADJ
hjic-358	15	3	approach	approach	NOUN
hjic-358	15	4	is	be	AUX
hjic-358	15	5	based	base	VERB
hjic-358	15	6	on	on	ADP
hjic-358	15	7	molecular	molecular	ADJ
hjic-358	15	8	cluster	cluster	NOUN
hjic-358	15	9	models	model	NOUN
hjic-358	15	10	[	[	X
hjic-358	15	11	5–9	5–9	X
hjic-358	15	12	]	]	PUNCT
hjic-358	15	13	.	.	PUNCT
hjic-358	16	1	an	an	DET
hjic-358	16	2	advantage	advantage	NOUN
hjic-358	16	3	of	of	ADP
hjic-358	16	4	using	use	VERB
hjic-358	16	5	the	the	DET
hjic-358	16	6	latter	latter	ADJ
hjic-358	16	7	is	be	AUX
hjic-358	16	8	the	the	DET
hjic-358	16	9	availability	availability	NOUN
hjic-358	16	10	of	of	ADP
hjic-358	16	11	a	a	DET
hjic-358	16	12	broad	broad	ADJ
hjic-358	16	13	range	range	NOUN
hjic-358	16	14	of	of	ADP
hjic-358	16	15	quantum	quantum	ADJ
hjic-358	16	16	chemical	chemical	NOUN
hjic-358	16	17	tools	tool	NOUN
hjic-358	16	18	for	for	ADP
hjic-358	16	19	studying	study	VERB
hjic-358	16	20	the	the	DET
hjic-358	16	21	local	local	ADJ
hjic-358	16	22	chemical	chemical	NOUN
hjic-358	16	23	environment	environment	NOUN
hjic-358	16	24	of	of	ADP
hjic-358	16	25	the	the	DET
hjic-358	16	26	site(s	site(s	NOUN
hjic-358	16	27	)	)	PUNCT
hjic-358	16	28	of	of	ADP
hjic-358	16	29	adsorption	adsorption	NOUN
hjic-358	16	30	and/or	and/or	CCONJ
hjic-358	16	31	intercalation	intercalation	NOUN
hjic-358	16	32	.	.	PUNCT
hjic-358	17	1	in	in	ADP
hjic-358	17	2	the	the	DET
hjic-358	17	3	given	give	VERB
hjic-358	17	4	study	study	NOUN
hjic-358	17	5	,	,	PUNCT
hjic-358	17	6	we	we	PRON
hjic-358	17	7	have	have	VERB
hjic-358	17	8	utilized	utilize	VERB
hjic-358	17	9	kaolinite	kaolinite	NOUN
hjic-358	17	10	,	,	PUNCT
hjic-358	17	11	which	which	PRON
hjic-358	17	12	is	be	AUX
hjic-358	17	13	a	a	DET
hjic-358	17	14	member	member	NOUN
hjic-358	17	15	of	of	ADP
hjic-358	17	16	the	the	DET
hjic-358	17	17	1:1	1:1	NUM
hjic-358	17	18	class	class	NOUN
hjic-358	17	19	of	of	ADP
hjic-358	17	20	clay	clay	NOUN
hjic-358	17	21	minerals	mineral	NOUN
hjic-358	17	22	.	.	PUNCT
hjic-358	18	1	this	this	PRON
hjic-358	18	2	implies	imply	VERB
hjic-358	18	3	that	that	SCONJ
hjic-358	18	4	the	the	DET
hjic-358	18	5	layers	layer	NOUN
hjic-358	18	6	of	of	ADP
hjic-358	18	7	this	this	DET
hjic-358	18	8	simplest	simple	ADJ
hjic-358	18	9	phyllosilicate	phyllosilicate	NOUN
hjic-358	18	10	are	be	AUX
hjic-358	18	11	composed	compose	VERB
hjic-358	18	12	of	of	ADP
hjic-358	18	13	octahedral	octahedral	ADJ
hjic-358	18	14	(	(	PUNCT
hjic-358	18	15	o	o	NOUN
hjic-358	18	16	)	)	PUNCT
hjic-358	18	17	and	and	CCONJ
hjic-358	18	18	tetrahedral	tetrahedral	ADJ
hjic-358	18	19	(	(	PUNCT
hjic-358	18	20	t	t	NOUN
hjic-358	18	21	)	)	PUNCT
hjic-358	18	22	sheets	sheet	NOUN
hjic-358	18	23	.	.	PUNCT
hjic-358	19	1	the	the	DET
hjic-358	19	2	o	o	NOUN
hjic-358	19	3	-	-	ADJ
hjic-358	19	4	sheet	sheet	NOUN
hjic-358	19	5	contains	contain	VERB
hjic-358	19	6	hexacoordinate	hexacoordinate	VERB
hjic-358	19	7	al3	al3	PROPN
hjic-358	19	8	+	+	SYM
hjic-358	19	9	ions	ion	NOUN
hjic-358	19	10	,	,	PUNCT
hjic-358	19	11	while	while	SCONJ
hjic-358	19	12	the	the	DET
hjic-358	19	13	t	t	PROPN
hjic-358	19	14	-	-	PUNCT
hjic-358	19	15	sheet	sheet	NOUN
hjic-358	19	16	has	have	AUX
hjic-358	19	17	tetracoordinate	tetracoordinate	VERB
hjic-358	19	18	si4	si4	PROPN
hjic-358	19	19	+	+	NOUN
hjic-358	19	20	ions	ion	NOUN
hjic-358	19	21	.	.	PUNCT
hjic-358	20	1	the	the	DET
hjic-358	20	2	oand	oand	NOUN
hjic-358	20	3	tsheets	tsheet	NOUN
hjic-358	20	4	are	be	AUX
hjic-358	20	5	connected	connect	VERB
hjic-358	20	6	via	via	ADP
hjic-358	20	7	tricoordinate	tricoordinate	PRON
hjic-358	20	8	oxide	oxide	NOUN
hjic-358	20	9	anions	anion	NOUN
hjic-358	20	10	,	,	PUNCT
hjic-358	20	11	while	while	SCONJ
hjic-358	20	12	the	the	DET
hjic-358	20	13	separate	separate	ADJ
hjic-358	20	14	ot	ot	NOUN
hjic-358	20	15	or	or	CCONJ
hjic-358	20	16	1:1	1:1	NUM
hjic-358	20	17	layers	layer	NOUN
hjic-358	20	18	are	be	AUX
hjic-358	20	19	connected	connect	VERB
hjic-358	20	20	through	through	ADP
hjic-358	20	21	hydrogen	hydrogen	NOUN
hjic-358	20	22	bonds	bond	NOUN
hjic-358	20	23	(	(	PUNCT
hjic-358	20	24	h	h	NOUN
hjic-358	20	25	-	-	PUNCT
hjic-358	20	26	bonds	bond	NOUN
hjic-358	20	27	)	)	PUNCT
hjic-358	20	28	(	(	PUNCT
hjic-358	20	29	fig.1	fig.1	PROPN
hjic-358	20	30	)	)	PUNCT
hjic-358	20	31	.	.	PUNCT
hjic-358	21	1	computational	computational	ADJ
hjic-358	21	2	methods	method	NOUN
hjic-358	21	3	the	the	DET
hjic-358	21	4	computational	computational	ADJ
hjic-358	21	5	models	model	NOUN
hjic-358	21	6	were	be	AUX
hjic-358	21	7	created	create	VERB
hjic-358	21	8	from	from	ADP
hjic-358	21	9	the	the	DET
hjic-358	21	10	unit	unit	NOUN
hjic-358	21	11	cell	cell	NOUN
hjic-358	21	12	of	of	ADP
hjic-358	21	13	the	the	DET
hjic-358	21	14	experimental	experimental	ADJ
hjic-358	21	15	x	x	ADJ
hjic-358	21	16	-	-	NOUN
hjic-358	21	17	ray	ray	NOUN
hjic-358	21	18	diffraction	diffraction	NOUN
hjic-358	21	19	structure	structure	NOUN
hjic-358	21	20	of	of	ADP
hjic-358	21	21	crystalline	crystalline	ADJ
hjic-358	21	22	kaolinite	kaolinite	NOUN
hjic-358	21	23	[	[	X
hjic-358	21	24	10	10	NUM
hjic-358	21	25	]	]	PUNCT
hjic-358	21	26	.	.	PUNCT
hjic-358	22	1	we	we	PRON
hjic-358	22	2	will	will	AUX
hjic-358	22	3	discuss	discuss	VERB
hjic-358	22	4	results	result	NOUN
hjic-358	22	5	here	here	ADV
hjic-358	22	6	for	for	ADP
hjic-358	22	7	models	model	NOUN
hjic-358	22	8	for	for	ADP
hjic-358	22	9	separate	separate	ADJ
hjic-358	22	10	oand	oand	NOUN
hjic-358	22	11	t	t	NOUN
hjic-358	22	12	-	-	PUNCT
hjic-358	22	13	sheets	sheet	NOUN
hjic-358	22	14	with	with	ADP
hjic-358	22	15	figure	figure	NOUN
hjic-358	22	16	1	1	NUM
hjic-358	22	17	:	:	PUNCT
hjic-358	22	18	schematic	schematic	ADJ
hjic-358	22	19	presentation	presentation	NOUN
hjic-358	22	20	of	of	ADP
hjic-358	22	21	adjacent	adjacent	ADJ
hjic-358	22	22	ot	ot	NOUN
hjic-358	22	23	layers	layer	NOUN
hjic-358	22	24	of	of	ADP
hjic-358	22	25	delaminated	delaminate	VERB
hjic-358	22	26	kaolinite	kaolinite	NOUN
hjic-358	22	27	20	20	NUM
hjic-358	22	28	stoichiometry	stoichiometry	NOUN
hjic-358	22	29	of	of	ADP
hjic-358	22	30	al6o24h30	al6o24h30	NOUN
hjic-358	22	31	and	and	CCONJ
hjic-358	22	32	si6o18h12	si6o18h12	NOUN
hjic-358	22	33	,	,	PUNCT
hjic-358	22	34	respectively	respectively	ADV
hjic-358	22	35	(	(	PUNCT
hjic-358	22	36	figs.2a	figs.2a	PROPN
hjic-358	22	37	and	and	CCONJ
hjic-358	22	38	c	c	NOUN
hjic-358	22	39	)	)	PUNCT
hjic-358	22	40	.	.	PUNCT
hjic-358	23	1	these	these	PRON
hjic-358	23	2	are	be	AUX
hjic-358	23	3	the	the	DET
hjic-358	23	4	smallest	small	ADJ
hjic-358	23	5	possible	possible	ADJ
hjic-358	23	6	cluster	cluster	NOUN
hjic-358	23	7	models	model	NOUN
hjic-358	23	8	for	for	ADP
hjic-358	23	9	the	the	DET
hjic-358	23	10	hexagonal	hexagonal	ADJ
hjic-358	23	11	,	,	PUNCT
hjic-358	23	12	honeycomb	honeycomb	VERB
hjic-358	23	13	like	like	ADP
hjic-358	23	14	units	unit	NOUN
hjic-358	23	15	of	of	ADP
hjic-358	23	16	the	the	DET
hjic-358	23	17	oand	oand	NOUN
hjic-358	23	18	t	t	NOUN
hjic-358	23	19	-	-	PUNCT
hjic-358	23	20	sheets	sheet	NOUN
hjic-358	23	21	.	.	PUNCT
hjic-358	24	1	in	in	ADP
hjic-358	24	2	addition	addition	NOUN
hjic-358	24	3	,	,	PUNCT
hjic-358	24	4	two	two	NUM
hjic-358	24	5	larger	large	ADJ
hjic-358	24	6	models	model	NOUN
hjic-358	24	7	of	of	ADP
hjic-358	24	8	al10o38h46	al10o38h46	NOUN
hjic-358	24	9	and	and	CCONJ
hjic-358	24	10	si10o29h18	si10o29h18	PROPN
hjic-358	24	11	were	be	AUX
hjic-358	24	12	also	also	ADV
hjic-358	24	13	considered	consider	VERB
hjic-358	24	14	(	(	PUNCT
hjic-358	24	15	figs.2b	figs.2b	NOUN
hjic-358	24	16	and	and	CCONJ
hjic-358	24	17	d	d	X
hjic-358	24	18	)	)	PUNCT
hjic-358	24	19	for	for	ADP
hjic-358	24	20	the	the	DET
hjic-358	24	21	larger	large	ADJ
hjic-358	24	22	intercalating	intercalate	VERB
hjic-358	24	23	agents	agent	NOUN
hjic-358	24	24	(	(	PUNCT
hjic-358	24	25	ethylene	ethylene	NOUN
hjic-358	24	26	glycol	glycol	NOUN
hjic-358	24	27	,	,	PUNCT
hjic-358	24	28	potassium	potassium	NOUN
hjic-358	24	29	acetate	acetate	NOUN
hjic-358	24	30	)	)	PUNCT
hjic-358	24	31	.	.	PUNCT
hjic-358	25	1	the	the	DET
hjic-358	25	2	unit	unit	NOUN
hjic-358	25	3	cell	cell	NOUN
hjic-358	25	4	of	of	ADP
hjic-358	25	5	kaolinite	kaolinite	NOUN
hjic-358	25	6	was	be	AUX
hjic-358	25	7	multiplied	multiply	VERB
hjic-358	25	8	in	in	ADP
hjic-358	25	9	all	all	DET
hjic-358	25	10	crystal	crystal	NOUN
hjic-358	25	11	dimensions	dimension	NOUN
hjic-358	25	12	to	to	PART
hjic-358	25	13	create	create	VERB
hjic-358	25	14	a	a	DET
hjic-358	25	15	super	super	NOUN
hjic-358	25	16	-	-	NOUN
hjic-358	25	17	cell	cell	NOUN
hjic-358	25	18	.	.	PUNCT
hjic-358	26	1	this	this	PRON
hjic-358	26	2	was	be	AUX
hjic-358	26	3	then	then	ADV
hjic-358	26	4	truncated	truncate	VERB
hjic-358	26	5	to	to	ADP
hjic-358	26	6	the	the	DET
hjic-358	26	7	cluster	cluster	NOUN
hjic-358	26	8	models	model	NOUN
hjic-358	26	9	presented	present	VERB
hjic-358	26	10	above	above	ADV
hjic-358	26	11	.	.	PUNCT
hjic-358	27	1	the	the	DET
hjic-358	27	2	charge	charge	NOUN
hjic-358	27	3	neutrality	neutrality	NOUN
hjic-358	27	4	was	be	AUX
hjic-358	27	5	achieved	achieve	VERB
hjic-358	27	6	by	by	ADP
hjic-358	27	7	terminating	terminate	VERB
hjic-358	27	8	dangling	dangle	VERB
hjic-358	27	9	bonds	bond	NOUN
hjic-358	27	10	with	with	ADP
hjic-358	27	11	protons	proton	NOUN
hjic-358	27	12	at	at	ADP
hjic-358	27	13	the	the	DET
hjic-358	27	14	periphery	periphery	NOUN
hjic-358	27	15	of	of	ADP
hjic-358	27	16	the	the	DET
hjic-358	27	17	models	model	NOUN
hjic-358	27	18	.	.	PUNCT
hjic-358	28	1	the	the	DET
hjic-358	28	2	initial	initial	ADJ
hjic-358	28	3	positions	position	NOUN
hjic-358	28	4	of	of	ADP
hjic-358	28	5	the	the	DET
hjic-358	28	6	adsorbent	adsorbent	NOUN
hjic-358	28	7	reagents	reagent	NOUN
hjic-358	28	8	were	be	AUX
hjic-358	28	9	set	set	VERB
hjic-358	28	10	at	at	ADP
hjic-358	28	11	the	the	DET
hjic-358	28	12	centre	centre	NOUN
hjic-358	28	13	of	of	ADP
hjic-358	28	14	the	the	DET
hjic-358	28	15	hexagonal	hexagonal	ADJ
hjic-358	28	16	honeycomb	honeycomb	NOUN
hjic-358	28	17	-	-	PUNCT
hjic-358	28	18	like	like	ADJ
hjic-358	28	19	unit	unit	NOUN
hjic-358	28	20	of	of	ADP
hjic-358	28	21	both	both	DET
hjic-358	28	22	oand	oand	NOUN
hjic-358	28	23	tsheets	tsheet	NOUN
hjic-358	28	24	and	and	CCONJ
hjic-358	28	25	it	it	PRON
hjic-358	28	26	was	be	AUX
hjic-358	28	27	allowed	allow	VERB
hjic-358	28	28	to	to	PART
hjic-358	28	29	fully	fully	ADV
hjic-358	28	30	relax	relax	VERB
hjic-358	28	31	during	during	ADP
hjic-358	28	32	optimizations	optimization	NOUN
hjic-358	28	33	.	.	PUNCT
hjic-358	29	1	given	give	VERB
hjic-358	29	2	that	that	SCONJ
hjic-358	29	3	the	the	DET
hjic-358	29	4	computational	computational	ADJ
hjic-358	29	5	models	model	NOUN
hjic-358	29	6	shown	show	VERB
hjic-358	29	7	in	in	ADP
hjic-358	29	8	fig.2	fig.2	PROPN
hjic-358	29	9	are	be	AUX
hjic-358	29	10	simplifications	simplification	NOUN
hjic-358	29	11	of	of	ADP
hjic-358	29	12	the	the	DET
hjic-358	29	13	experimental	experimental	ADJ
hjic-358	29	14	crystal	crystal	PROPN
hjic-358	29	15	structure	structure	NOUN
hjic-358	29	16	environment	environment	NOUN
hjic-358	29	17	,	,	PUNCT
hjic-358	29	18	structural	structural	ADJ
hjic-358	29	19	constrains	constrain	NOUN
hjic-358	29	20	were	be	AUX
hjic-358	29	21	applied	apply	VERB
hjic-358	29	22	during	during	ADP
hjic-358	29	23	geometry	geometry	NOUN
hjic-358	29	24	optimizations	optimization	NOUN
hjic-358	29	25	.	.	PUNCT
hjic-358	30	1	in	in	ADP
hjic-358	30	2	all	all	DET
hjic-358	30	3	calculations	calculation	NOUN
hjic-358	30	4	,	,	PUNCT
hjic-358	30	5	the	the	DET
hjic-358	30	6	atoms	atom	NOUN
hjic-358	30	7	of	of	ADP
hjic-358	30	8	the	the	DET
hjic-358	30	9	organic	organic	ADJ
hjic-358	30	10	reagents	reagent	NOUN
hjic-358	30	11	,	,	PUNCT
hjic-358	30	12	the	the	DET
hjic-358	30	13	surface	surface	NOUN
hjic-358	30	14	hydroxide	hydroxide	NOUN
hjic-358	30	15	groups	group	NOUN
hjic-358	30	16	(	(	PUNCT
hjic-358	30	17	sho-	sho-	X
hjic-358	30	18	)	)	PUNCT
hjic-358	30	19	of	of	ADP
hjic-358	30	20	the	the	DET
hjic-358	30	21	o	o	NOUN
hjic-358	30	22	-	-	NOUN
hjic-358	30	23	sheet	sheet	NOUN
hjic-358	30	24	,	,	PUNCT
hjic-358	30	25	and	and	CCONJ
hjic-358	30	26	the	the	DET
hjic-358	30	27	bridging	bridging	NOUN
hjic-358	30	28	oxide	oxide	NOUN
hjic-358	30	29	groups	group	NOUN
hjic-358	30	30	(	(	PUNCT
hjic-358	30	31	bo2-	bo2-	NOUN
hjic-358	30	32	)	)	PUNCT
hjic-358	30	33	of	of	ADP
hjic-358	30	34	the	the	DET
hjic-358	30	35	t	t	NOUN
hjic-358	30	36	-	-	PUNCT
hjic-358	30	37	sheets	sheet	NOUN
hjic-358	30	38	were	be	AUX
hjic-358	30	39	allowed	allow	VERB
hjic-358	30	40	to	to	PART
hjic-358	30	41	move	move	VERB
hjic-358	30	42	,	,	PUNCT
hjic-358	30	43	while	while	SCONJ
hjic-358	30	44	the	the	DET
hjic-358	30	45	positions	position	NOUN
hjic-358	30	46	of	of	ADP
hjic-358	30	47	the	the	DET
hjic-358	30	48	rest	rest	NOUN
hjic-358	30	49	of	of	ADP
hjic-358	30	50	the	the	DET
hjic-358	30	51	atoms	atom	NOUN
hjic-358	30	52	were	be	AUX
hjic-358	30	53	kept	keep	VERB
hjic-358	30	54	fixed	fix	VERB
hjic-358	30	55	.	.	PUNCT
hjic-358	31	1	after	after	ADP
hjic-358	31	2	structural	structural	ADJ
hjic-358	31	3	optimizations	optimization	NOUN
hjic-358	31	4	,	,	PUNCT
hjic-358	31	5	the	the	DET
hjic-358	31	6	positions	position	NOUN
hjic-358	31	7	and	and	CCONJ
hjic-358	31	8	relative	relative	ADJ
hjic-358	31	9	arrangements	arrangement	NOUN
hjic-358	31	10	of	of	ADP
hjic-358	31	11	the	the	DET
hjic-358	31	12	organic	organic	ADJ
hjic-358	31	13	reagents	reagent	NOUN
hjic-358	31	14	with	with	ADP
hjic-358	31	15	respect	respect	NOUN
hjic-358	31	16	of	of	ADP
hjic-358	31	17	the	the	DET
hjic-358	31	18	outer	outer	ADJ
hjic-358	31	19	and	and	CCONJ
hjic-358	31	20	inner	inner	ADJ
hjic-358	31	21	surfaces	surface	NOUN
hjic-358	31	22	,	,	PUNCT
hjic-358	31	23	the	the	DET
hjic-358	31	24	shortest	short	ADJ
hjic-358	31	25	distances	distance	NOUN
hjic-358	31	26	of	of	ADP
hjic-358	31	27	possible	possible	ADJ
hjic-358	31	28	ion	ion	NOUN
hjic-358	31	29	/	/	SYM
hjic-358	31	30	dipole	dipole	NOUN
hjic-358	31	31	interactions	interaction	NOUN
hjic-358	31	32	or	or	CCONJ
hjic-358	31	33	h	h	NOUN
hjic-358	31	34	-	-	PUNCT
hjic-358	31	35	bonds	bond	NOUN
hjic-358	31	36	were	be	AUX
hjic-358	31	37	noted	note	VERB
hjic-358	31	38	.	.	PUNCT
hjic-358	32	1	for	for	ADP
hjic-358	32	2	computational	computational	ADJ
hjic-358	32	3	models	model	NOUN
hjic-358	32	4	of	of	ADP
hjic-358	32	5	t	t	PROPN
hjic-358	32	6	…	…	SYM
hjic-358	32	7	reagent	reagent	ADJ
hjic-358	32	8	…	…	SYM
hjic-358	32	9	o	o	NOUN
hjic-358	32	10	intercalation	intercalation	NOUN
hjic-358	32	11	,	,	PUNCT
hjic-358	32	12	the	the	DET
hjic-358	32	13	basal	basal	NOUN
hjic-358	32	14	spacing	spacing	NOUN
hjic-358	32	15	was	be	AUX
hjic-358	32	16	set	set	VERB
hjic-358	32	17	at	at	ADP
hjic-358	32	18	the	the	DET
hjic-358	32	19	beginning	beginning	NOUN
hjic-358	32	20	of	of	ADP
hjic-358	32	21	calculations	calculation	NOUN
hjic-358	32	22	to	to	ADP
hjic-358	32	23	the	the	DET
hjic-358	32	24	experimental	experimental	ADJ
hjic-358	32	25	values	value	NOUN
hjic-358	32	26	of	of	ADP
hjic-358	32	27	10.7	10.7	NUM
hjic-358	32	28	,	,	PUNCT
hjic-358	32	29	9.5	9.5	NUM
hjic-358	32	30	,	,	PUNCT
hjic-358	32	31	11.5	11.5	NUM
hjic-358	32	32	å	å	NOUN
hjic-358	32	33	,	,	PUNCT
hjic-358	32	34	and	and	CCONJ
hjic-358	32	35	14.2	14.2	NUM
hjic-358	32	36	å	å	NOUN
hjic-358	32	37	for	for	ADP
hjic-358	32	38	urea	urea	NOUN
hjic-358	32	39	[	[	X
hjic-358	32	40	11	11	NUM
hjic-358	32	41	]	]	PUNCT
hjic-358	32	42	,	,	PUNCT
hjic-358	32	43	ethylene	ethylene	NOUN
hjic-358	32	44	glycol	glycol	NOUN
hjic-358	32	45	[	[	X
hjic-358	32	46	12	12	NUM
hjic-358	32	47	]	]	PUNCT
hjic-358	32	48	,	,	PUNCT
hjic-358	32	49	and	and	CCONJ
hjic-358	32	50	potassium	potassium	NOUN
hjic-358	32	51	acetate	acetate	NOUN
hjic-358	32	52	in	in	ADP
hjic-358	32	53	the	the	DET
hjic-358	32	54	absence	absence	NOUN
hjic-358	32	55	or	or	CCONJ
hjic-358	32	56	in	in	ADP
hjic-358	32	57	the	the	DET
hjic-358	32	58	presence	presence	NOUN
hjic-358	32	59	of	of	ADP
hjic-358	32	60	water	water	NOUN
hjic-358	33	1	[	[	X
hjic-358	33	2	13	13	NUM
hjic-358	33	3	]	]	PUNCT
hjic-358	33	4	,	,	PUNCT
hjic-358	33	5	respectively	respectively	ADV
hjic-358	33	6	.	.	PUNCT
hjic-358	34	1	the	the	DET
hjic-358	34	2	calculations	calculation	NOUN
hjic-358	34	3	were	be	AUX
hjic-358	34	4	carried	carry	VERB
hjic-358	34	5	out	out	ADP
hjic-358	34	6	using	use	VERB
hjic-358	34	7	the	the	DET
hjic-358	34	8	b3lyp	b3lyp	X
hjic-358	34	9	hybrid	hybrid	ADJ
hjic-358	34	10	density	density	NOUN
hjic-358	34	11	functional	functional	ADJ
hjic-358	35	1	[	[	X
hjic-358	35	2	14,15	14,15	NUM
hjic-358	35	3	]	]	PUNCT
hjic-358	35	4	with	with	ADP
hjic-358	35	5	lanl2dz	lanl2dz	NOUN
hjic-358	35	6	basis	basis	NOUN
hjic-358	35	7	set	set	NOUN
hjic-358	35	8	[	[	X
hjic-358	35	9	16	16	NUM
hjic-358	35	10	]	]	PUNCT
hjic-358	35	11	as	as	SCONJ
hjic-358	35	12	implemented	implement	VERB
hjic-358	35	13	in	in	ADP
hjic-358	35	14	gaussian09	gaussian09	NOUN
hjic-358	35	15	[	[	X
hjic-358	35	16	17	17	NUM
hjic-358	35	17	]	]	PUNCT
hjic-358	35	18	.	.	PUNCT
hjic-358	36	1	the	the	DET
hjic-358	36	2	interaction	interaction	NOUN
hjic-358	36	3	energies	energy	NOUN
hjic-358	36	4	were	be	AUX
hjic-358	36	5	not	not	PART
hjic-358	36	6	considered	consider	VERB
hjic-358	36	7	in	in	ADP
hjic-358	36	8	this	this	DET
hjic-358	36	9	work	work	NOUN
hjic-358	36	10	due	due	ADP
hjic-358	36	11	to	to	ADP
hjic-358	36	12	the	the	DET
hjic-358	36	13	modest	modest	ADJ
hjic-358	36	14	level	level	NOUN
hjic-358	36	15	of	of	ADP
hjic-358	36	16	theory	theory	NOUN
hjic-358	36	17	and	and	CCONJ
hjic-358	36	18	lack	lack	NOUN
hjic-358	36	19	of	of	ADP
hjic-358	36	20	consideration	consideration	NOUN
hjic-358	36	21	of	of	ADP
hjic-358	36	22	explicit	explicit	ADJ
hjic-358	36	23	or	or	CCONJ
hjic-358	36	24	implicit	implicit	ADJ
hjic-358	36	25	solvation	solvation	NOUN
hjic-358	36	26	shell	shell	NOUN
hjic-358	36	27	.	.	PUNCT
hjic-358	37	1	the	the	DET
hjic-358	37	2	main	main	ADJ
hjic-358	37	3	focus	focus	NOUN
hjic-358	37	4	of	of	ADP
hjic-358	37	5	the	the	DET
hjic-358	37	6	given	give	VERB
hjic-358	37	7	work	work	NOUN
hjic-358	37	8	is	be	AUX
hjic-358	37	9	to	to	PART
hjic-358	37	10	establish	establish	VERB
hjic-358	37	11	initial	initial	ADJ
hjic-358	37	12	structural	structural	ADJ
hjic-358	37	13	models	model	NOUN
hjic-358	37	14	for	for	ADP
hjic-358	37	15	rationalizing	rationalize	VERB
hjic-358	37	16	experimental	experimental	ADJ
hjic-358	37	17	observations	observation	NOUN
hjic-358	37	18	and	and	CCONJ
hjic-358	37	19	prepare	prepare	VERB
hjic-358	37	20	for	for	ADP
hjic-358	37	21	more	more	ADV
hjic-358	37	22	advanced	advanced	ADJ
hjic-358	37	23	computational	computational	ADJ
hjic-358	37	24	modeling	modeling	NOUN
hjic-358	37	25	.	.	PUNCT
hjic-358	38	1	the	the	DET
hjic-358	38	2	optimized	optimize	VERB
hjic-358	38	3	structures	structure	NOUN
hjic-358	38	4	presented	present	VERB
hjic-358	38	5	in	in	ADP
hjic-358	38	6	this	this	DET
hjic-358	38	7	work	work	NOUN
hjic-358	38	8	were	be	AUX
hjic-358	38	9	made	make	VERB
hjic-358	38	10	available	available	ADJ
hjic-358	38	11	at	at	ADP
hjic-358	38	12	computational.chemistry.montana.edu/si	computational.chemistry.montana.edu/si	NOUN
hjic-358	38	13	.	.	PUNCT
hjic-358	39	1	results	result	NOUN
hjic-358	39	2	and	and	CCONJ
hjic-358	39	3	discussions	discussion	NOUN
hjic-358	39	4	kaolinite	kaolinite	ADJ
hjic-358	39	5	-	-	PUNCT
hjic-358	39	6	urea	urea	NOUN
hjic-358	39	7	interactions	interaction	NOUN
hjic-358	39	8	the	the	DET
hjic-358	39	9	lowest	low	ADJ
hjic-358	39	10	energy	energy	NOUN
hjic-358	39	11	,	,	PUNCT
hjic-358	39	12	optimized	optimize	VERB
hjic-358	39	13	structure	structure	NOUN
hjic-358	39	14	for	for	ADP
hjic-358	39	15	the	the	DET
hjic-358	39	16	adsorbed	adsorb	VERB
hjic-358	39	17	urea	urea	NOUN
hjic-358	39	18	on	on	ADP
hjic-358	39	19	o	o	NOUN
hjic-358	39	20	-	-	NOUN
hjic-358	39	21	sheet	sheet	NOUN
hjic-358	39	22	can	can	AUX
hjic-358	39	23	be	be	AUX
hjic-358	39	24	characterized	characterize	VERB
hjic-358	39	25	by	by	ADP
hjic-358	39	26	two	two	NUM
hjic-358	39	27	short	short	ADJ
hjic-358	39	28	o(urea)	o(urea)	NOUN
hjic-358	39	29	…	…	SYM
hjic-358	39	30	s	s	NOUN
hjic-358	39	31	-	-	PUNCT
hjic-358	39	32	hodistances	hodistance	NOUN
hjic-358	39	33	of	of	ADP
hjic-358	39	34	1.92	1.92	NUM
hjic-358	39	35	and	and	CCONJ
hjic-358	39	36	1.95	1.95	NUM
hjic-358	39	37	å	å	NOUN
hjic-358	39	38	,	,	PUNCT
hjic-358	39	39	while	while	SCONJ
hjic-358	39	40	one	one	NUM
hjic-358	39	41	of	of	ADP
hjic-358	39	42	the	the	DET
hjic-358	39	43	amide	amide	NOUN
hjic-358	39	44	groups	group	NOUN
hjic-358	39	45	approaches	approach	VERB
hjic-358	39	46	the	the	DET
hjic-358	39	47	opposite	opposite	ADJ
hjic-358	39	48	s	s	NOUN
hjic-358	39	49	-	-	PUNCT
hjic-358	39	50	ho	ho	PROPN
hjic-358	39	51	group	group	NOUN
hjic-358	39	52	within	within	ADP
hjic-358	39	53	1.73	1.73	NUM
hjic-358	39	54	å	å	NOUN
hjic-358	39	55	as	as	SCONJ
hjic-358	39	56	shown	show	VERB
hjic-358	39	57	in	in	ADP
hjic-358	39	58	fig.3a	fig.3a	PROPN
hjic-358	39	59	.	.	PUNCT
hjic-358	40	1	the	the	DET
hjic-358	40	2	presence	presence	NOUN
hjic-358	40	3	of	of	ADP
hjic-358	40	4	both	both	PRON
hjic-358	40	5	donor	donor	NOUN
hjic-358	40	6	and	and	CCONJ
hjic-358	40	7	acceptor	acceptor	NOUN
hjic-358	40	8	interactions	interaction	NOUN
hjic-358	40	9	for	for	ADP
hjic-358	40	10	the	the	DET
hjic-358	40	11	same	same	ADJ
hjic-358	40	12	reagent	reagent	ADJ
hjic-358	40	13	molecule	molecule	NOUN
hjic-358	40	14	result	result	NOUN
hjic-358	40	15	in	in	ADP
hjic-358	40	16	a	a	DET
hjic-358	40	17	tilted	tilted	ADJ
hjic-358	40	18	orientation	orientation	NOUN
hjic-358	40	19	of	of	ADP
hjic-358	40	20	the	the	DET
hjic-358	40	21	urea	urea	NOUN
hjic-358	40	22	.	.	PUNCT
hjic-358	41	1	an	an	DET
hjic-358	41	2	alternative	alternative	ADJ
hjic-358	41	3	orientation	orientation	NOUN
hjic-358	41	4	in	in	ADP
hjic-358	41	5	which	which	PRON
hjic-358	41	6	only	only	ADV
hjic-358	41	7	the	the	DET
hjic-358	41	8	carbonyl	carbonyl	NOUN
hjic-358	41	9	group	group	NOUN
hjic-358	41	10	is	be	AUX
hjic-358	41	11	interacting	interact	VERB
hjic-358	41	12	with	with	ADP
hjic-358	41	13	three	three	NUM
hjic-358	41	14	s	s	NOUN
hjic-358	41	15	-	-	PUNCT
hjic-358	41	16	hogroups	hogroup	NOUN
hjic-358	41	17	(	(	PUNCT
hjic-358	41	18	see	see	VERB
hjic-358	41	19	below	below	ADV
hjic-358	41	20	for	for	ADP
hjic-358	41	21	intercalation	intercalation	NOUN
hjic-358	41	22	model	model	NOUN
hjic-358	41	23	)	)	PUNCT
hjic-358	41	24	was	be	AUX
hjic-358	41	25	not	not	PART
hjic-358	41	26	found	find	VERB
hjic-358	41	27	to	to	PART
hjic-358	41	28	be	be	AUX
hjic-358	41	29	a	a	DET
hjic-358	41	30	stationary	stationary	ADJ
hjic-358	41	31	structure	structure	NOUN
hjic-358	41	32	at	at	ADP
hjic-358	41	33	this	this	DET
hjic-358	41	34	level	level	NOUN
hjic-358	41	35	of	of	ADP
hjic-358	41	36	theory	theory	NOUN
hjic-358	41	37	.	.	PUNCT
hjic-358	42	1	figs.3b	figs.3b	NOUN
hjic-358	42	2	and	and	CCONJ
hjic-358	42	3	c	c	AUX
hjic-358	42	4	illustrate	illustrate	VERB
hjic-358	42	5	the	the	DET
hjic-358	42	6	two	two	NUM
hjic-358	42	7	different	different	ADJ
hjic-358	42	8	orientations	orientation	NOUN
hjic-358	42	9	of	of	ADP
hjic-358	42	10	the	the	DET
hjic-358	42	11	urea	urea	NOUN
hjic-358	42	12	at	at	ADP
hjic-358	42	13	the	the	DET
hjic-358	42	14	t	t	NOUN
hjic-358	42	15	-	-	PUNCT
hjic-358	42	16	sheet	sheet	NOUN
hjic-358	42	17	,	,	PUNCT
hjic-358	42	18	where	where	SCONJ
hjic-358	42	19	the	the	DET
hjic-358	42	20	amide	amide	NOUN
hjic-358	42	21	groups	group	NOUN
hjic-358	42	22	are	be	AUX
hjic-358	42	23	h	h	NOUN
hjic-358	42	24	-	-	PUNCT
hjic-358	42	25	bonded	bond	VERB
hjic-358	42	26	to	to	ADP
hjic-358	42	27	the	the	DET
hjic-358	42	28	b	b	PROPN
hjic-358	42	29	-	-	PUNCT
hjic-358	42	30	o2groups	o2group	NOUN
hjic-358	42	31	of	of	ADP
hjic-358	42	32	the	the	DET
hjic-358	42	33	same	same	ADJ
hjic-358	42	34	si4	si4	PROPN
hjic-358	42	35	+	+	SYM
hjic-358	42	36	ion	ion	NOUN
hjic-358	42	37	(	(	PUNCT
hjic-358	42	38	geminal	geminal	ADJ
hjic-358	42	39	)	)	PUNCT
hjic-358	42	40	with	with	ADP
hjic-358	42	41	nh	nh	PROPN
hjic-358	42	42	…	…	SYM
hjic-358	42	43	b	b	NOUN
hjic-358	42	44	-	-	PUNCT
hjic-358	42	45	o2distances	o2distance	NOUN
hjic-358	42	46	of	of	ADP
hjic-358	42	47	2.03	2.03	NUM
hjic-358	42	48	and	and	CCONJ
hjic-358	42	49	2.12	2.12	NUM
hjic-358	42	50	å	å	NOUN
hjic-358	42	51	or	or	CCONJ
hjic-358	42	52	two	two	NUM
hjic-358	42	53	different	different	ADJ
hjic-358	42	54	si4	si4	PROPN
hjic-358	42	55	+	+	NOUN
hjic-358	42	56	ions	ion	NOUN
hjic-358	42	57	(	(	PUNCT
hjic-358	42	58	vicinal	vicinal	ADJ
hjic-358	42	59	)	)	PUNCT
hjic-358	42	60	with	with	ADP
hjic-358	42	61	2.02	2.02	NUM
hjic-358	42	62	and	and	CCONJ
hjic-358	42	63	2.08	2.08	NUM
hjic-358	42	64	å	å	PROPN
hjic-358	42	65	figure	figure	NOUN
hjic-358	42	66	2	2	NUM
hjic-358	42	67	:	:	PUNCT
hjic-358	42	68	computational	computational	ADJ
hjic-358	42	69	models	model	NOUN
hjic-358	42	70	for	for	ADP
hjic-358	42	71	the	the	DET
hjic-358	42	72	hexagonal	hexagonal	ADJ
hjic-358	42	73	honeycomb	honeycomb	NOUN
hjic-358	42	74	-	-	PUNCT
hjic-358	42	75	like	like	ADJ
hjic-358	42	76	units	unit	NOUN
hjic-358	42	77	of	of	ADP
hjic-358	42	78	[	[	X
hjic-358	42	79	6al	6al	NOUN
hjic-358	42	80	]	]	X
hjic-358	42	81	(	(	PUNCT
hjic-358	42	82	a	a	NOUN
hjic-358	42	83	)	)	PUNCT
hjic-358	42	84	and	and	CCONJ
hjic-358	42	85	[	[	X
hjic-358	42	86	10al	10al	X
hjic-358	42	87	]	]	X
hjic-358	42	88	(	(	PUNCT
hjic-358	42	89	b	b	NOUN
hjic-358	42	90	)	)	PUNCT
hjic-358	42	91	octahedral	octahedral	NOUN
hjic-358	42	92	,	,	PUNCT
hjic-358	42	93	[	[	X
hjic-358	42	94	6si	6si	X
hjic-358	42	95	]	]	X
hjic-358	42	96	(	(	PUNCT
hjic-358	42	97	c	c	NOUN
hjic-358	42	98	)	)	PUNCT
hjic-358	42	99	and	and	CCONJ
hjic-358	42	100	[	[	X
hjic-358	42	101	10si	10si	X
hjic-358	42	102	]	]	X
hjic-358	42	103	(	(	PUNCT
hjic-358	42	104	d	d	X
hjic-358	42	105	)	)	PUNCT
hjic-358	42	106	tetrahedral	tetrahedral	ADJ
hjic-358	42	107	cluster	cluster	NOUN
hjic-358	42	108	models	model	NOUN
hjic-358	42	109	for	for	ADP
hjic-358	42	110	oand	oand	NOUN
hjic-358	42	111	t	t	NOUN
hjic-358	42	112	-	-	PUNCT
hjic-358	42	113	sheets	sheet	NOUN
hjic-358	42	114	of	of	ADP
hjic-358	42	115	kaolinite	kaolinite	NOUN
hjic-358	42	116	,	,	PUNCT
hjic-358	42	117	respectively	respectively	ADV
hjic-358	42	118	21	21	NUM
hjic-358	42	119	distances	distance	NOUN
hjic-358	42	120	.	.	PUNCT
hjic-358	43	1	the	the	DET
hjic-358	43	2	energetic	energetic	ADJ
hjic-358	43	3	difference	difference	NOUN
hjic-358	43	4	between	between	ADP
hjic-358	43	5	the	the	DET
hjic-358	43	6	germinal	germinal	ADJ
hjic-358	43	7	and	and	CCONJ
hjic-358	43	8	vicinal	vicinal	ADJ
hjic-358	43	9	coordination	coordination	NOUN
hjic-358	43	10	is	be	AUX
hjic-358	43	11	not	not	PART
hjic-358	43	12	significant	significant	ADJ
hjic-358	43	13	(	(	PUNCT
hjic-358	43	14	less	less	ADJ
hjic-358	43	15	than	than	ADP
hjic-358	43	16	10	10	NUM
hjic-358	43	17	kj	kj	PROPN
hjic-358	43	18	mol-1	mol-1	NOUN
hjic-358	43	19	)	)	PUNCT
hjic-358	43	20	at	at	ADP
hjic-358	43	21	this	this	DET
hjic-358	43	22	level	level	NOUN
hjic-358	43	23	of	of	ADP
hjic-358	43	24	theory	theory	NOUN
hjic-358	43	25	.	.	PUNCT
hjic-358	44	1	when	when	SCONJ
hjic-358	44	2	the	the	DET
hjic-358	44	3	adsorption	adsorption	NOUN
hjic-358	44	4	of	of	ADP
hjic-358	44	5	urea	urea	NOUN
hjic-358	44	6	considered	consider	VERB
hjic-358	44	7	simultaneously	simultaneously	ADV
hjic-358	44	8	at	at	ADP
hjic-358	44	9	both	both	CCONJ
hjic-358	44	10	the	the	DET
hjic-358	44	11	oand	oand	NOUN
hjic-358	44	12	t	t	NOUN
hjic-358	44	13	-	-	PUNCT
hjic-358	44	14	sheets	sheet	NOUN
hjic-358	44	15	,	,	PUNCT
hjic-358	44	16	a	a	DET
hjic-358	44	17	model	model	NOUN
hjic-358	44	18	can	can	AUX
hjic-358	44	19	be	be	AUX
hjic-358	44	20	obtained	obtain	VERB
hjic-358	44	21	for	for	ADP
hjic-358	44	22	a	a	DET
hjic-358	44	23	plausible	plausible	ADJ
hjic-358	44	24	structure	structure	NOUN
hjic-358	44	25	of	of	ADP
hjic-358	44	26	the	the	DET
hjic-358	44	27	urea	urea	NOUN
hjic-358	44	28	intercalated	intercalate	VERB
hjic-358	44	29	between	between	ADP
hjic-358	44	30	two	two	NUM
hjic-358	44	31	ot	ot	NOUN
hjic-358	44	32	-	-	PUNCT
hjic-358	44	33	layers	layer	NOUN
hjic-358	44	34	(	(	PUNCT
hjic-358	44	35	fig.4	fig.4	PROPN
hjic-358	44	36	)	)	PUNCT
hjic-358	44	37	.	.	PUNCT
hjic-358	45	1	in	in	ADP
hjic-358	45	2	this	this	DET
hjic-358	45	3	computational	computational	ADJ
hjic-358	45	4	model	model	NOUN
hjic-358	45	5	,	,	PUNCT
hjic-358	45	6	the	the	DET
hjic-358	45	7	carbonyl	carbonyl	NOUN
hjic-358	45	8	group	group	NOUN
hjic-358	45	9	of	of	ADP
hjic-358	45	10	urea	urea	PROPN
hjic-358	45	11	forms	form	NOUN
hjic-358	45	12	three	three	NUM
hjic-358	45	13	h	h	NOUN
hjic-358	45	14	-	-	PUNCT
hjic-358	45	15	bonds	bond	NOUN
hjic-358	45	16	at	at	ADP
hjic-358	45	17	1.74	1.74	NUM
hjic-358	45	18	,	,	PUNCT
hjic-358	45	19	1.78	1.78	NUM
hjic-358	45	20	,	,	PUNCT
hjic-358	45	21	and	and	CCONJ
hjic-358	45	22	1.83	1.83	NUM
hjic-358	45	23	å	å	PROPN
hjic-358	45	24	distances	distance	NOUN
hjic-358	45	25	with	with	ADP
hjic-358	45	26	three	three	NUM
hjic-358	45	27	s	s	NOUN
hjic-358	45	28	-	-	PUNCT
hjic-358	45	29	hogroups	hogroup	NOUN
hjic-358	45	30	of	of	ADP
hjic-358	45	31	the	the	DET
hjic-358	45	32	hexagonal	hexagonal	ADJ
hjic-358	45	33	o	o	ADJ
hjic-358	45	34	-	-	ADJ
hjic-358	45	35	sheet	sheet	NOUN
hjic-358	45	36	cross	cross	NOUN
hjic-358	45	37	from	from	ADP
hjic-358	45	38	each	each	DET
hjic-358	45	39	other	other	ADJ
hjic-358	45	40	.	.	PUNCT
hjic-358	46	1	at	at	ADP
hjic-358	46	2	the	the	DET
hjic-358	46	3	same	same	ADJ
hjic-358	46	4	time	time	NOUN
hjic-358	46	5	,	,	PUNCT
hjic-358	46	6	the	the	DET
hjic-358	46	7	intercalated	intercalated	ADJ
hjic-358	46	8	urea	urea	NOUN
hjic-358	46	9	forms	form	NOUN
hjic-358	46	10	two	two	NUM
hjic-358	46	11	h	h	NOUN
hjic-358	46	12	-	-	PUNCT
hjic-358	46	13	bonds	bond	NOUN
hjic-358	46	14	with	with	ADP
hjic-358	46	15	the	the	DET
hjic-358	46	16	geminal	geminal	ADJ
hjic-358	46	17	b	b	PROPN
hjic-358	46	18	-	-	PUNCT
hjic-358	46	19	o2groups	o2group	NOUN
hjic-358	46	20	at	at	ADP
hjic-358	46	21	1.94	1.94	NUM
hjic-358	46	22	and	and	CCONJ
hjic-358	46	23	2.62	2.62	NUM
hjic-358	46	24	å	å	PROPN
hjic-358	46	25	distances	distance	NOUN
hjic-358	46	26	.	.	PUNCT
hjic-358	47	1	the	the	DET
hjic-358	47	2	tilted	tilted	ADJ
hjic-358	47	3	orientation	orientation	NOUN
hjic-358	47	4	of	of	ADP
hjic-358	47	5	the	the	DET
hjic-358	47	6	urea	urea	NOUN
hjic-358	47	7	is	be	AUX
hjic-358	47	8	the	the	DET
hjic-358	47	9	consequence	consequence	NOUN
hjic-358	47	10	of	of	ADP
hjic-358	47	11	the	the	DET
hjic-358	47	12	experimental	experimental	ADJ
hjic-358	47	13	basal	basal	NOUN
hjic-358	47	14	spacing	spacing	NOUN
hjic-358	47	15	of	of	ADP
hjic-358	47	16	10.7	10.7	NUM
hjic-358	47	17	å	å	NOUN
hjic-358	47	18	,	,	PUNCT
hjic-358	47	19	which	which	PRON
hjic-358	47	20	was	be	AUX
hjic-358	47	21	kept	keep	VERB
hjic-358	47	22	fixed	fix	VERB
hjic-358	47	23	during	during	ADP
hjic-358	47	24	the	the	DET
hjic-358	47	25	structural	structural	ADJ
hjic-358	47	26	optimizations	optimization	NOUN
hjic-358	47	27	.	.	PUNCT
hjic-358	48	1	it	it	PRON
hjic-358	48	2	is	be	AUX
hjic-358	48	3	important	important	ADJ
hjic-358	48	4	to	to	PART
hjic-358	48	5	recognize	recognize	VERB
hjic-358	48	6	that	that	SCONJ
hjic-358	48	7	according	accord	VERB
hjic-358	48	8	to	to	ADP
hjic-358	48	9	our	our	PRON
hjic-358	48	10	computational	computational	ADJ
hjic-358	48	11	model	model	NOUN
hjic-358	48	12	,	,	PUNCT
hjic-358	48	13	there	there	PRON
hjic-358	48	14	is	be	VERB
hjic-358	48	15	not	not	PART
hjic-358	48	16	enough	enough	ADJ
hjic-358	48	17	room	room	NOUN
hjic-358	48	18	between	between	ADP
hjic-358	48	19	the	the	DET
hjic-358	48	20	expanded	expand	VERB
hjic-358	48	21	layers	layer	NOUN
hjic-358	48	22	of	of	ADP
hjic-358	48	23	kaolinite	kaolinite	NOUN
hjic-358	48	24	to	to	PART
hjic-358	48	25	accommodate	accommodate	VERB
hjic-358	48	26	urea	urea	NOUN
hjic-358	48	27	perpendicular	perpendicular	NOUN
hjic-358	48	28	to	to	ADP
hjic-358	48	29	the	the	DET
hjic-358	48	30	basal	basal	ADJ
hjic-358	48	31	planes	plane	NOUN
hjic-358	48	32	or	or	CCONJ
hjic-358	48	33	with	with	ADP
hjic-358	48	34	parallel	parallel	ADJ
hjic-358	48	35	carbonyl	carbonyl	NOUN
hjic-358	48	36	groups	group	NOUN
hjic-358	48	37	to	to	ADP
hjic-358	48	38	the	the	DET
hjic-358	48	39	crystallographic	crystallographic	ADJ
hjic-358	48	40	‘	'	PUNCT
hjic-358	48	41	c	c	NOUN
hjic-358	48	42	’	'	PUNCT
hjic-358	48	43	axis	axis	ADJ
hjic-358	48	44	.	.	PUNCT
hjic-358	48	45	kaolinite	kaolinite	NOUN
hjic-358	48	46	-	-	PUNCT
hjic-358	48	47	ethylene	ethylene	NOUN
hjic-358	48	48	glycol	glycol	NOUN
hjic-358	48	49	interactions	interaction	NOUN
hjic-358	48	50	ethylene	ethylene	NOUN
hjic-358	48	51	glycol	glycol	NOUN
hjic-358	48	52	is	be	AUX
hjic-358	48	53	generally	generally	ADV
hjic-358	48	54	used	use	VERB
hjic-358	48	55	in	in	ADP
hjic-358	48	56	exchangeintercalation	exchangeintercalation	NOUN
hjic-358	48	57	as	as	ADP
hjic-358	48	58	a	a	DET
hjic-358	48	59	step	step	NOUN
hjic-358	48	60	followed	follow	VERB
hjic-358	48	61	by	by	ADP
hjic-358	48	62	initial	initial	ADJ
hjic-358	48	63	dimethyl	dimethyl	NOUN
hjic-358	48	64	sulfoxide	sulfoxide	NOUN
hjic-358	48	65	or	or	CCONJ
hjic-358	48	66	potassium	potassium	NOUN
hjic-358	48	67	acetate	acetate	NOUN
hjic-358	48	68	intercalation	intercalation	NOUN
hjic-358	48	69	.	.	PUNCT
hjic-358	49	1	as	as	SCONJ
hjic-358	49	2	shown	show	VERB
hjic-358	49	3	in	in	ADP
hjic-358	49	4	fig.5a	fig.5a	PROPN
hjic-358	49	5	,	,	PUNCT
hjic-358	49	6	the	the	DET
hjic-358	49	7	donor	donor	NOUN
hjic-358	49	8	interaction	interaction	NOUN
hjic-358	49	9	between	between	ADP
hjic-358	49	10	the	the	DET
hjic-358	49	11	reagent	reagent	ADJ
hjic-358	49	12	hydroxyl	hydroxyl	NOUN
hjic-358	49	13	group	group	NOUN
hjic-358	49	14	and	and	CCONJ
hjic-358	49	15	the	the	DET
hjic-358	49	16	al3	al3	NOUN
hjic-358	49	17	+	+	CCONJ
hjic-358	49	18	bound	bind	VERB
hjic-358	49	19	s	s	NOUN
hjic-358	49	20	-	-	PUNCT
hjic-358	49	21	hois	hois	NOUN
hjic-358	49	22	much	much	ADV
hjic-358	49	23	shorter	short	ADJ
hjic-358	49	24	(	(	PUNCT
hjic-358	49	25	1.66	1.66	NUM
hjic-358	49	26	å	å	NOUN
hjic-358	49	27	)	)	PUNCT
hjic-358	49	28	than	than	ADP
hjic-358	49	29	those	those	PRON
hjic-358	49	30	seen	see	VERB
hjic-358	49	31	for	for	ADP
hjic-358	49	32	urea	urea	NOUN
hjic-358	49	33	adsorption	adsorption	NOUN
hjic-358	49	34	(	(	PUNCT
hjic-358	49	35	1.73	1.73	NUM
hjic-358	49	36	å	å	NOUN
hjic-358	49	37	)	)	PUNCT
hjic-358	49	38	,	,	PUNCT
hjic-358	49	39	while	while	SCONJ
hjic-358	49	40	the	the	DET
hjic-358	49	41	acceptor	acceptor	NOUN
hjic-358	49	42	interaction	interaction	NOUN
hjic-358	49	43	is	be	AUX
hjic-358	49	44	slightly	slightly	ADV
hjic-358	49	45	longer	long	ADJ
hjic-358	49	46	(	(	PUNCT
hjic-358	49	47	1.99	1.99	NUM
hjic-358	49	48	å	å	NOUN
hjic-358	49	49	)	)	PUNCT
hjic-358	49	50	.	.	PUNCT
hjic-358	50	1	given	give	VERB
hjic-358	50	2	that	that	SCONJ
hjic-358	50	3	the	the	DET
hjic-358	50	4	b	b	X
hjic-358	50	5	-	-	PUNCT
hjic-358	50	6	o2groups	o2group	NOUN
hjic-358	50	7	of	of	ADP
hjic-358	50	8	the	the	DET
hjic-358	50	9	tsheet	tsheet	NOUN
hjic-358	50	10	can	can	AUX
hjic-358	50	11	only	only	ADV
hjic-358	50	12	act	act	VERB
hjic-358	50	13	as	as	ADP
hjic-358	50	14	h	h	NOUN
hjic-358	50	15	-	-	PUNCT
hjic-358	50	16	bond	bond	NOUN
hjic-358	50	17	acceptors	acceptor	NOUN
hjic-358	50	18	with	with	ADP
hjic-358	50	19	ethylene	ethylene	NOUN
hjic-358	50	20	glycol	glycol	NOUN
hjic-358	50	21	,	,	PUNCT
hjic-358	50	22	the	the	DET
hjic-358	50	23	reagent	reagent	NOUN
hjic-358	50	24	spans	span	VERB
hjic-358	50	25	the	the	DET
hjic-358	50	26	entire	entire	ADJ
hjic-358	50	27	hexagonal	hexagonal	ADJ
hjic-358	50	28	honeycomb	honeycomb	NOUN
hjic-358	50	29	-	-	PUNCT
hjic-358	50	30	like	like	ADJ
hjic-358	50	31	unit	unit	NOUN
hjic-358	50	32	of	of	ADP
hjic-358	50	33	the	the	DET
hjic-358	50	34	t	t	NOUN
hjic-358	50	35	-	-	PUNCT
hjic-358	50	36	sheet	sheet	NOUN
hjic-358	50	37	by	by	ADP
hjic-358	50	38	forming	form	VERB
hjic-358	50	39	longer	long	ADV
hjic-358	50	40	(	(	PUNCT
hjic-358	50	41	2.05	2.05	NUM
hjic-358	50	42	and	and	CCONJ
hjic-358	50	43	1.94	1.94	NUM
hjic-358	50	44	å	å	NOUN
hjic-358	50	45	)	)	PUNCT
hjic-358	50	46	,	,	PUNCT
hjic-358	50	47	thus	thus	ADV
hjic-358	50	48	weaker	weak	ADJ
hjic-358	50	49	h	h	NOUN
hjic-358	50	50	-	-	PUNCT
hjic-358	50	51	bond	bond	NOUN
hjic-358	50	52	interactions	interaction	NOUN
hjic-358	50	53	than	than	ADP
hjic-358	50	54	with	with	ADP
hjic-358	50	55	the	the	DET
hjic-358	50	56	o	o	NOUN
hjic-358	50	57	-	-	NOUN
hjic-358	50	58	sheet	sheet	NOUN
hjic-358	50	59	.	.	PUNCT
hjic-358	51	1	the	the	DET
hjic-358	51	2	complementarity	complementarity	NOUN
hjic-358	51	3	of	of	ADP
hjic-358	51	4	the	the	DET
hjic-358	51	5	oand	oand	NOUN
hjic-358	51	6	t	t	NOUN
hjic-358	51	7	-	-	PUNCT
hjic-358	51	8	sheets	sheet	NOUN
hjic-358	51	9	with	with	ADP
hjic-358	51	10	respect	respect	NOUN
hjic-358	51	11	of	of	ADP
hjic-358	51	12	being	be	AUX
hjic-358	51	13	h	h	NOUN
hjic-358	51	14	-	-	PUNCT
hjic-358	51	15	bond	bond	NOUN
hjic-358	51	16	donor	donor	NOUN
hjic-358	51	17	and	and	CCONJ
hjic-358	51	18	acceptor	acceptor	NOUN
hjic-358	51	19	,	,	PUNCT
hjic-358	51	20	respectively	respectively	ADV
hjic-358	51	21	,	,	PUNCT
hjic-358	51	22	allows	allow	VERB
hjic-358	51	23	for	for	ADP
hjic-358	51	24	an	an	DET
hjic-358	51	25	ideal	ideal	ADJ
hjic-358	51	26	orientation	orientation	NOUN
hjic-358	51	27	of	of	ADP
hjic-358	51	28	the	the	DET
hjic-358	51	29	functional	functional	ADJ
hjic-358	51	30	groups	group	NOUN
hjic-358	51	31	of	of	ADP
hjic-358	51	32	ethylene	ethylene	NOUN
hjic-358	51	33	glycol	glycol	NOUN
hjic-358	51	34	for	for	ADP
hjic-358	51	35	maximizing	maximize	VERB
hjic-358	51	36	the	the	DET
hjic-358	51	37	strength	strength	NOUN
hjic-358	51	38	of	of	ADP
hjic-358	51	39	h	h	NOUN
hjic-358	51	40	-	-	PUNCT
hjic-358	51	41	bond	bond	NOUN
hjic-358	51	42	interactions	interaction	NOUN
hjic-358	51	43	.	.	PUNCT
hjic-358	52	1	the	the	DET
hjic-358	52	2	o	o	ADJ
hjic-358	52	3	-	-	ADJ
hjic-358	52	4	sheet	sheet	NOUN
hjic-358	52	5	forms	form	NOUN
hjic-358	52	6	a	a	DET
hjic-358	52	7	short	short	ADJ
hjic-358	52	8	(	(	PUNCT
hjic-358	52	9	1.61	1.61	NUM
hjic-358	52	10	and	and	CCONJ
hjic-358	52	11	1.79	1.79	NUM
hjic-358	52	12	å	å	NOUN
hjic-358	52	13	)	)	PUNCT
hjic-358	52	14	interaction	interaction	NOUN
hjic-358	52	15	between	between	ADP
hjic-358	52	16	the	the	DET
hjic-358	52	17	o(glycol)	o(glycol)	NOUN
hjic-358	52	18	…	…	SYM
hjic-358	52	19	s	s	NOUN
hjic-358	52	20	-	-	PUNCT
hjic-358	52	21	hogroups	hogroup	NOUN
hjic-358	52	22	.	.	PUNCT
hjic-358	53	1	the	the	DET
hjic-358	53	2	t	t	PROPN
hjic-358	53	3	-	-	PUNCT
hjic-358	53	4	sheet	sheet	NOUN
hjic-358	53	5	accepts	accept	VERB
hjic-358	53	6	the	the	DET
hjic-358	53	7	ho	ho	ADJ
hjic-358	53	8	groups	group	NOUN
hjic-358	53	9	of	of	ADP
hjic-358	53	10	the	the	DET
hjic-358	53	11	ethylene	ethylene	NOUN
hjic-358	53	12	glycol	glycol	NOUN
hjic-358	53	13	at	at	ADP
hjic-358	53	14	1.73	1.73	NUM
hjic-358	53	15	and	and	CCONJ
hjic-358	53	16	1.88	1.88	NUM
hjic-358	53	17	å	å	PROPN
hjic-358	53	18	distances	distance	NOUN
hjic-358	53	19	.	.	PUNCT
hjic-358	54	1	comparison	comparison	NOUN
hjic-358	54	2	of	of	ADP
hjic-358	54	3	the	the	DET
hjic-358	54	4	urea	urea	NOUN
hjic-358	54	5	(	(	PUNCT
hjic-358	54	6	fig.5	fig.5	PROPN
hjic-358	54	7	)	)	PUNCT
hjic-358	54	8	and	and	CCONJ
hjic-358	54	9	ethylene	ethylene	NOUN
hjic-358	54	10	figure	figure	NOUN
hjic-358	54	11	3	3	NUM
hjic-358	54	12	:	:	PUNCT
hjic-358	54	13	computational	computational	ADJ
hjic-358	54	14	models	model	NOUN
hjic-358	54	15	for	for	ADP
hjic-358	54	16	urea	urea	NOUN
hjic-358	54	17	absorption	absorption	NOUN
hjic-358	54	18	at	at	ADP
hjic-358	54	19	o(a	o(a	NOUN
hjic-358	54	20	)	)	PUNCT
hjic-358	54	21	and	and	CCONJ
hjic-358	54	22	t	t	PROPN
hjic-358	54	23	-	-	PUNCT
hjic-358	54	24	layers	layer	NOUN
hjic-358	54	25	in	in	ADP
hjic-358	54	26	geminal	geminal	ADJ
hjic-358	54	27	(	(	PUNCT
hjic-358	54	28	b	b	NOUN
hjic-358	54	29	)	)	PUNCT
hjic-358	54	30	and	and	CCONJ
hjic-358	54	31	vicinal	vicinal	ADJ
hjic-358	54	32	(	(	PUNCT
hjic-358	54	33	c	c	NOUN
hjic-358	54	34	)	)	PUNCT
hjic-358	54	35	arrangements	arrangement	NOUN
hjic-358	54	36	figure	figure	VERB
hjic-358	54	37	5	5	NUM
hjic-358	54	38	:	:	PUNCT
hjic-358	54	39	computational	computational	ADJ
hjic-358	54	40	models	model	NOUN
hjic-358	54	41	for	for	ADP
hjic-358	54	42	the	the	DET
hjic-358	54	43	adsorption	adsorption	NOUN
hjic-358	54	44	of	of	ADP
hjic-358	54	45	ethylene	ethylene	NOUN
hjic-358	54	46	glycol	glycol	NOUN
hjic-358	54	47	at	at	ADP
hjic-358	54	48	the	the	DET
hjic-358	54	49	(	(	PUNCT
hjic-358	54	50	a	a	NOUN
hjic-358	54	51	)	)	PUNCT
hjic-358	54	52	oand	oand	NOUN
hjic-358	54	53	(	(	PUNCT
hjic-358	54	54	b	b	NOUN
hjic-358	54	55	)	)	PUNCT
hjic-358	54	56	t	t	NOUN
hjic-358	54	57	-	-	PUNCT
hjic-358	54	58	sheets	sheet	NOUN
hjic-358	54	59	figure	figure	NOUN
hjic-358	54	60	4	4	NUM
hjic-358	54	61	:	:	PUNCT
hjic-358	54	62	computational	computational	ADJ
hjic-358	54	63	model	model	NOUN
hjic-358	54	64	for	for	ADP
hjic-358	54	65	intercalation	intercalation	NOUN
hjic-358	54	66	of	of	ADP
hjic-358	54	67	urea	urea	NOUN
hjic-358	54	68	in	in	ADP
hjic-358	54	69	kaolinite	kaolinite	NOUN
hjic-358	54	70	22	22	NUM
hjic-358	54	71	glycol	glycol	NOUN
hjic-358	54	72	(	(	PUNCT
hjic-358	54	73	fig.6	fig.6	PROPN
hjic-358	54	74	)	)	PUNCT
hjic-358	54	75	intercalated	intercalated	ADJ
hjic-358	54	76	models	model	NOUN
hjic-358	54	77	,	,	PUNCT
hjic-358	54	78	the	the	DET
hjic-358	54	79	network	network	NOUN
hjic-358	54	80	of	of	ADP
hjic-358	54	81	interactions	interaction	NOUN
hjic-358	54	82	between	between	ADP
hjic-358	54	83	the	the	DET
hjic-358	54	84	layers	layer	NOUN
hjic-358	54	85	and	and	CCONJ
hjic-358	54	86	reagents	reagent	NOUN
hjic-358	54	87	parallel	parallel	ADJ
hjic-358	54	88	well	well	INTJ
hjic-358	54	89	the	the	DET
hjic-358	54	90	different	different	ADJ
hjic-358	54	91	experimental	experimental	ADJ
hjic-358	54	92	basal	basal	NOUN
hjic-358	54	93	spacing	space	VERB
hjic-358	54	94	(	(	PUNCT
hjic-358	54	95	10.7	10.7	NUM
hjic-358	54	96	vs.	vs.	ADP
hjic-358	54	97	9.5	9.5	NUM
hjic-358	54	98	å	å	NOUN
hjic-358	54	99	,	,	PUNCT
hjic-358	54	100	respectively	respectively	ADV
hjic-358	54	101	)	)	PUNCT
hjic-358	54	102	.	.	PUNCT
hjic-358	55	1	while	while	SCONJ
hjic-358	55	2	the	the	DET
hjic-358	55	3	urea	urea	NOUN
hjic-358	55	4	opens	open	VERB
hjic-358	55	5	the	the	DET
hjic-358	55	6	interlayer	interlayer	NOUN
hjic-358	55	7	space	space	NOUN
hjic-358	55	8	more	more	ADV
hjic-358	55	9	;	;	PUNCT
hjic-358	55	10	however	however	ADV
hjic-358	55	11	,	,	PUNCT
hjic-358	55	12	it	it	PRON
hjic-358	55	13	anchors	anchor	VERB
hjic-358	55	14	the	the	DET
hjic-358	55	15	two	two	NUM
hjic-358	55	16	layers	layer	NOUN
hjic-358	55	17	with	with	ADP
hjic-358	55	18	a	a	DET
hjic-358	55	19	stronger	strong	ADJ
hjic-358	55	20	set	set	NOUN
hjic-358	55	21	of	of	ADP
hjic-358	55	22	interactions	interaction	NOUN
hjic-358	55	23	than	than	ADP
hjic-358	55	24	ethylene	ethylene	NOUN
hjic-358	55	25	glycol	glycol	NOUN
hjic-358	55	26	.	.	PUNCT
hjic-358	56	1	this	this	PRON
hjic-358	56	2	can	can	AUX
hjic-358	56	3	be	be	AUX
hjic-358	56	4	correlated	correlate	VERB
hjic-358	56	5	with	with	ADP
hjic-358	56	6	the	the	DET
hjic-358	56	7	limited	limited	ADJ
hjic-358	56	8	reactivity	reactivity	NOUN
hjic-358	56	9	of	of	ADP
hjic-358	56	10	urea	urea	NOUN
hjic-358	56	11	/	/	SYM
hjic-358	56	12	kaolinite	kaolinite	NOUN
hjic-358	56	13	complex	complex	NOUN
hjic-358	56	14	in	in	ADP
hjic-358	56	15	exchange	exchange	NOUN
hjic-358	56	16	intercalation	intercalation	NOUN
hjic-358	56	17	;	;	PUNCT
hjic-358	56	18	while	while	SCONJ
hjic-358	56	19	ethylene	ethylene	NOUN
hjic-358	56	20	glycol	glycol	NOUN
hjic-358	56	21	often	often	ADV
hjic-358	56	22	provides	provide	VERB
hjic-358	56	23	the	the	DET
hjic-358	56	24	last	last	ADJ
hjic-358	56	25	step	step	NOUN
hjic-358	56	26	before	before	ADP
hjic-358	56	27	complete	complete	ADJ
hjic-358	56	28	delamination	delamination	NOUN
hjic-358	56	29	and	and	CCONJ
hjic-358	56	30	exfoliation	exfoliation	NOUN
hjic-358	56	31	of	of	ADP
hjic-358	56	32	clays	clay	NOUN
hjic-358	56	33	.	.	PUNCT
hjic-358	57	1	kaolinite	kaolinite	NOUN
hjic-358	57	2	-	-	PUNCT
hjic-358	57	3	potassium	potassium	NOUN
hjic-358	57	4	acetate	acetate	NOUN
hjic-358	57	5	interactions	interaction	NOUN
hjic-358	57	6	a	a	DET
hjic-358	57	7	limitation	limitation	NOUN
hjic-358	57	8	of	of	ADP
hjic-358	57	9	the	the	PRON
hjic-358	57	10	in	in	ADP
hjic-358	57	11	vacuo	vacuo	ADJ
hjic-358	57	12	models	model	NOUN
hjic-358	57	13	used	use	VERB
hjic-358	57	14	in	in	ADP
hjic-358	57	15	this	this	DET
hjic-358	57	16	study	study	NOUN
hjic-358	57	17	greatly	greatly	ADV
hjic-358	57	18	hinders	hinder	VERB
hjic-358	57	19	the	the	DET
hjic-358	57	20	dissociation	dissociation	NOUN
hjic-358	57	21	of	of	ADP
hjic-358	57	22	the	the	DET
hjic-358	57	23	potassium	potassium	NOUN
hjic-358	57	24	ion	ion	NOUN
hjic-358	57	25	from	from	ADP
hjic-358	57	26	acetate	acetate	NOUN
hjic-358	57	27	and	and	CCONJ
hjic-358	57	28	thus	thus	ADV
hjic-358	57	29	in	in	ADP
hjic-358	57	30	both	both	DET
hjic-358	57	31	adsorption	adsorption	NOUN
hjic-358	57	32	models	model	NOUN
hjic-358	57	33	the	the	DET
hjic-358	57	34	cation	cation	NOUN
hjic-358	57	35	remained	remain	VERB
hjic-358	57	36	at	at	ADP
hjic-358	57	37	the	the	DET
hjic-358	57	38	centre	centre	NOUN
hjic-358	57	39	of	of	ADP
hjic-358	57	40	the	the	DET
hjic-358	57	41	hexagonal	hexagonal	ADJ
hjic-358	57	42	honeycomb	honeycomb	NOUN
hjic-358	57	43	-	-	PUNCT
hjic-358	57	44	like	like	ADJ
hjic-358	57	45	model	model	NOUN
hjic-358	57	46	for	for	ADP
hjic-358	57	47	the	the	DET
hjic-358	57	48	oand	oand	NOUN
hjic-358	57	49	the	the	DET
hjic-358	57	50	t	t	NOUN
hjic-358	57	51	-	-	PUNCT
hjic-358	57	52	sheets	sheet	NOUN
hjic-358	57	53	in	in	ADP
hjic-358	57	54	the	the	DET
hjic-358	57	55	vicinity	vicinity	NOUN
hjic-358	57	56	of	of	ADP
hjic-358	57	57	the	the	DET
hjic-358	57	58	anion	anion	NOUN
hjic-358	57	59	acetate	acetate	NOUN
hjic-358	57	60	.	.	PUNCT
hjic-358	58	1	in	in	ADP
hjic-358	58	2	addition	addition	NOUN
hjic-358	58	3	,	,	PUNCT
hjic-358	58	4	the	the	DET
hjic-358	58	5	ionized	ionized	ADJ
hjic-358	58	6	carboxylic	carboxylic	ADJ
hjic-358	58	7	group	group	NOUN
hjic-358	58	8	of	of	ADP
hjic-358	58	9	the	the	DET
hjic-358	58	10	reagent	reagent	ADJ
hjic-358	58	11	form	form	NOUN
hjic-358	58	12	two	two	NUM
hjic-358	58	13	short	short	ADJ
hjic-358	58	14	and	and	CCONJ
hjic-358	58	15	thus	thus	ADV
hjic-358	58	16	strong	strong	ADJ
hjic-358	58	17	h	h	NOUN
hjic-358	58	18	-	-	PUNCT
hjic-358	58	19	bonding	bond	VERB
hjic-358	58	20	interactions	interaction	NOUN
hjic-358	58	21	at	at	ADP
hjic-358	58	22	1.65	1.65	NUM
hjic-358	58	23	and	and	CCONJ
hjic-358	58	24	1.89	1.89	NUM
hjic-358	58	25	å	å	NOUN
hjic-358	58	26	distances	distance	NOUN
hjic-358	58	27	with	with	ADP
hjic-358	58	28	two	two	NUM
hjic-358	58	29	germinal	germinal	ADJ
hjic-358	58	30	s	s	NOUN
hjic-358	58	31	-	-	PUNCT
hjic-358	58	32	hogroups	hogroup	NOUN
hjic-358	58	33	of	of	ADP
hjic-358	58	34	the	the	DET
hjic-358	58	35	osheet	osheet	NOUN
hjic-358	58	36	.	.	PUNCT
hjic-358	59	1	the	the	DET
hjic-358	59	2	shortest	short	ADJ
hjic-358	59	3	acetate	acetate	NOUN
hjic-358	59	4	c	c	PROPN
hjic-358	59	5	-	-	PUNCT
hjic-358	59	6	h	h	NOUN
hjic-358	59	7	…	…	SYM
hjic-358	59	8	b	b	NOUN
hjic-358	59	9	-	-	PUNCT
hjic-358	59	10	o2distance	o2distance	NOUN
hjic-358	59	11	in	in	ADP
hjic-358	59	12	fig.7b	fig.7b	NOUN
hjic-358	59	13	is	be	AUX
hjic-358	59	14	2.95	2.95	NUM
hjic-358	59	15	å	å	NOUN
hjic-358	59	16	,	,	PUNCT
hjic-358	59	17	which	which	PRON
hjic-358	59	18	indicates	indicate	VERB
hjic-358	59	19	the	the	DET
hjic-358	59	20	presence	presence	NOUN
hjic-358	59	21	of	of	ADP
hjic-358	59	22	weak	weak	ADJ
hjic-358	59	23	interactions	interaction	NOUN
hjic-358	59	24	between	between	ADP
hjic-358	59	25	the	the	DET
hjic-358	59	26	methyl	methyl	NOUN
hjic-358	59	27	group	group	NOUN
hjic-358	59	28	and	and	CCONJ
hjic-358	59	29	the	the	DET
hjic-358	59	30	b	b	PROPN
hjic-358	59	31	-	-	PUNCT
hjic-358	59	32	o2	o2	ADJ
hjic-358	59	33	groups	group	NOUN
hjic-358	59	34	.	.	PUNCT
hjic-358	60	1	in	in	ADP
hjic-358	60	2	the	the	DET
hjic-358	60	3	adsorption	adsorption	NOUN
hjic-358	60	4	model	model	NOUN
hjic-358	60	5	for	for	ADP
hjic-358	60	6	the	the	DET
hjic-358	60	7	t	t	PROPN
hjic-358	60	8	-	-	PUNCT
hjic-358	60	9	sheet	sheet	NOUN
hjic-358	60	10	,	,	PUNCT
hjic-358	60	11	the	the	DET
hjic-358	60	12	acetate	acetate	NOUN
hjic-358	60	13	appears	appear	VERB
hjic-358	60	14	to	to	PART
hjic-358	60	15	be	be	AUX
hjic-358	60	16	held	hold	VERB
hjic-358	60	17	in	in	ADP
hjic-358	60	18	place	place	NOUN
hjic-358	60	19	by	by	ADP
hjic-358	60	20	the	the	DET
hjic-358	60	21	cation	cation	NOUN
hjic-358	60	22	at	at	ADP
hjic-358	60	23	about	about	ADV
hjic-358	60	24	2.66	2.66	NUM
hjic-358	60	25	and	and	CCONJ
hjic-358	60	26	2.68	2.68	NUM
hjic-358	60	27	å	å	NOUN
hjic-358	60	28	.	.	PUNCT
hjic-358	61	1	some	some	PRON
hjic-358	61	2	of	of	ADP
hjic-358	61	3	the	the	DET
hjic-358	61	4	plausible	plausible	ADJ
hjic-358	61	5	structures	structure	NOUN
hjic-358	61	6	for	for	ADP
hjic-358	61	7	the	the	DET
hjic-358	61	8	intercalation	intercalation	NOUN
hjic-358	61	9	of	of	ADP
hjic-358	61	10	potassium	potassium	NOUN
hjic-358	61	11	acetate	acetate	NOUN
hjic-358	61	12	were	be	AUX
hjic-358	61	13	obtained	obtain	VERB
hjic-358	61	14	from	from	ADP
hjic-358	61	15	simulations	simulation	NOUN
hjic-358	61	16	in	in	ADP
hjic-358	61	17	the	the	DET
hjic-358	61	18	absence	absence	NOUN
hjic-358	61	19	(	(	PUNCT
hjic-358	61	20	fig.8a	fig.8a	NOUN
hjic-358	61	21	)	)	PUNCT
hjic-358	61	22	and	and	CCONJ
hjic-358	61	23	presence	presence	NOUN
hjic-358	61	24	(	(	PUNCT
hjic-358	61	25	fig.8b	fig.8b	NOUN
hjic-358	61	26	)	)	PUNCT
hjic-358	61	27	of	of	ADP
hjic-358	61	28	solvent	solvent	ADJ
hjic-358	61	29	water	water	NOUN
hjic-358	61	30	.	.	PUNCT
hjic-358	62	1	similarly	similarly	ADV
hjic-358	62	2	to	to	ADP
hjic-358	62	3	the	the	DET
hjic-358	62	4	other	other	ADJ
hjic-358	62	5	models	model	NOUN
hjic-358	62	6	the	the	DET
hjic-358	62	7	values	value	NOUN
hjic-358	62	8	of	of	ADP
hjic-358	62	9	basal	basal	ADJ
hjic-358	62	10	spacing	spacing	NOUN
hjic-358	62	11	were	be	AUX
hjic-358	62	12	set	set	VERB
hjic-358	62	13	to	to	ADP
hjic-358	62	14	their	their	PRON
hjic-358	62	15	corresponding	corresponding	ADJ
hjic-358	62	16	experimental	experimental	ADJ
hjic-358	62	17	values	value	NOUN
hjic-358	62	18	of	of	ADP
hjic-358	62	19	11.5	11.5	NUM
hjic-358	62	20	and	and	CCONJ
hjic-358	62	21	14.2	14.2	NUM
hjic-358	62	22	å	å	NOUN
hjic-358	62	23	,	,	PUNCT
hjic-358	62	24	respectively	respectively	ADV
hjic-358	62	25	.	.	PUNCT
hjic-358	63	1	the	the	DET
hjic-358	63	2	2.7	2.7	NUM
hjic-358	63	3	å	å	NOUN
hjic-358	63	4	difference	difference	NOUN
hjic-358	63	5	allows	allow	VERB
hjic-358	63	6	for	for	ADP
hjic-358	63	7	the	the	DET
hjic-358	63	8	accommodation	accommodation	NOUN
hjic-358	63	9	of	of	ADP
hjic-358	63	10	a	a	DET
hjic-358	63	11	water	water	NOUN
hjic-358	63	12	molecule	molecule	NOUN
hjic-358	63	13	as	as	SCONJ
hjic-358	63	14	shown	show	VERB
hjic-358	63	15	in	in	ADP
hjic-358	63	16	fig.8b	fig.8b	PROPN
hjic-358	63	17	.	.	PUNCT
hjic-358	64	1	in	in	ADP
hjic-358	64	2	agreement	agreement	NOUN
hjic-358	64	3	with	with	ADP
hjic-358	64	4	the	the	DET
hjic-358	64	5	absorption	absorption	NOUN
hjic-358	64	6	models	model	NOUN
hjic-358	64	7	in	in	ADP
hjic-358	64	8	fig.7	fig.7	ADJ
hjic-358	64	9	,	,	PUNCT
hjic-358	64	10	we	we	PRON
hjic-358	64	11	found	find	VERB
hjic-358	64	12	short	short	ADJ
hjic-358	64	13	h	h	NOUN
hjic-358	64	14	-	-	PUNCT
hjic-358	64	15	bond	bond	NOUN
hjic-358	64	16	distances	distance	NOUN
hjic-358	64	17	between	between	ADP
hjic-358	64	18	the	the	DET
hjic-358	64	19	carboxylate	carboxylate	NOUN
hjic-358	64	20	group	group	NOUN
hjic-358	64	21	and	and	CCONJ
hjic-358	64	22	the	the	DET
hjic-358	64	23	s	s	NOUN
hjic-358	64	24	-	-	PUNCT
hjic-358	64	25	ho	ho	NOUN
hjic-358	64	26	of	of	ADP
hjic-358	64	27	the	the	DET
hjic-358	64	28	o	o	NOUN
hjic-358	64	29	-	-	NOUN
hjic-358	64	30	sheet	sheet	NOUN
hjic-358	64	31	at	at	ADP
hjic-358	64	32	1.59	1.59	NUM
hjic-358	64	33	and	and	CCONJ
hjic-358	64	34	1.83	1.83	NUM
hjic-358	64	35	å	å	PROPN
hjic-358	64	36	distances	distance	NOUN
hjic-358	64	37	.	.	PUNCT
hjic-358	65	1	when	when	SCONJ
hjic-358	65	2	water	water	NOUN
hjic-358	65	3	figure	figure	NOUN
hjic-358	65	4	7	7	NUM
hjic-358	65	5	:	:	PUNCT
hjic-358	65	6	computational	computational	ADJ
hjic-358	65	7	models	model	NOUN
hjic-358	65	8	for	for	ADP
hjic-358	65	9	the	the	DET
hjic-358	65	10	adsorption	adsorption	NOUN
hjic-358	65	11	of	of	ADP
hjic-358	65	12	potassium	potassium	NOUN
hjic-358	65	13	acetate	acetate	NOUN
hjic-358	65	14	on	on	ADP
hjic-358	65	15	(	(	PUNCT
hjic-358	65	16	a	a	X
hjic-358	65	17	)	)	PUNCT
hjic-358	65	18	oand	oand	NOUN
hjic-358	65	19	(	(	PUNCT
hjic-358	65	20	b	b	NOUN
hjic-358	65	21	)	)	PUNCT
hjic-358	65	22	t	t	NOUN
hjic-358	65	23	-	-	PUNCT
hjic-358	65	24	sheets	sheet	NOUN
hjic-358	65	25	figure	figure	NOUN
hjic-358	65	26	6	6	NUM
hjic-358	65	27	:	:	PUNCT
hjic-358	65	28	computational	computational	ADJ
hjic-358	65	29	model	model	NOUN
hjic-358	65	30	for	for	ADP
hjic-358	65	31	ethylene	ethylene	NOUN
hjic-358	65	32	glycol	glycol	NOUN
hjic-358	65	33	intercalation	intercalation	NOUN
hjic-358	65	34	in	in	ADP
hjic-358	65	35	kaolinite	kaolinite	NOUN
hjic-358	65	36	figure	figure	NOUN
hjic-358	65	37	8	8	NUM
hjic-358	65	38	:	:	PUNCT
hjic-358	65	39	computational	computational	ADJ
hjic-358	65	40	models	model	NOUN
hjic-358	65	41	for	for	ADP
hjic-358	65	42	potassium	potassium	NOUN
hjic-358	65	43	acetate	acetate	NOUN
hjic-358	65	44	intercalation	intercalation	NOUN
hjic-358	65	45	in	in	ADP
hjic-358	65	46	the	the	DET
hjic-358	65	47	(	(	PUNCT
hjic-358	65	48	a	a	NOUN
hjic-358	65	49	)	)	PUNCT
hjic-358	65	50	absence	absence	NOUN
hjic-358	65	51	and	and	CCONJ
hjic-358	65	52	(	(	PUNCT
hjic-358	65	53	b	b	NOUN
hjic-358	65	54	)	)	PUNCT
hjic-358	65	55	presence	presence	NOUN
hjic-358	65	56	of	of	ADP
hjic-358	65	57	solvent	solvent	ADJ
hjic-358	65	58	water	water	NOUN
hjic-358	65	59	23	23	NUM
hjic-358	65	60	is	be	AUX
hjic-358	65	61	present	present	ADJ
hjic-358	65	62	,	,	PUNCT
hjic-358	65	63	it	it	PRON
hjic-358	65	64	is	be	AUX
hjic-358	65	65	likely	likely	ADJ
hjic-358	65	66	to	to	PART
hjic-358	65	67	solvate	solvate	VERB
hjic-358	65	68	the	the	DET
hjic-358	65	69	negatively	negatively	ADV
hjic-358	65	70	charged	charge	VERB
hjic-358	65	71	end	end	NOUN
hjic-358	65	72	of	of	ADP
hjic-358	65	73	the	the	DET
hjic-358	65	74	acetate	acetate	NOUN
hjic-358	65	75	ion	ion	NOUN
hjic-358	65	76	with	with	ADP
hjic-358	65	77	a	a	DET
hjic-358	65	78	characteristic	characteristic	ADJ
hjic-358	65	79	-coo-	-coo-	PUNCT
hjic-358	65	80	…	…	PUNCT
hjic-358	65	81	hoh	hoh	NOUN
hjic-358	65	82	distance	distance	NOUN
hjic-358	65	83	of	of	ADP
hjic-358	65	84	1.63	1.63	NUM
hjic-358	65	85	å	å	NOUN
hjic-358	65	86	.	.	PUNCT
hjic-358	66	1	the	the	DET
hjic-358	66	2	interaction	interaction	NOUN
hjic-358	66	3	of	of	ADP
hjic-358	66	4	the	the	DET
hjic-358	66	5	water	water	NOUN
hjic-358	66	6	and	and	CCONJ
hjic-358	66	7	the	the	DET
hjic-358	66	8	o	o	NOUN
hjic-358	66	9	-	-	NOUN
hjic-358	66	10	sheet	sheet	NOUN
hjic-358	66	11	is	be	AUX
hjic-358	66	12	asymmetrical	asymmetrical	ADJ
hjic-358	66	13	with	with	ADP
hjic-358	66	14	1.77	1.77	NUM
hjic-358	66	15	and	and	CCONJ
hjic-358	66	16	2.08	2.08	NUM
hjic-358	66	17	å	å	PROPN
hjic-358	66	18	o(water)	o(water)	NOUN
hjic-358	66	19	…	…	SYM
hjic-358	66	20	s	s	NOUN
hjic-358	66	21	-	-	PUNCT
hjic-358	66	22	hodistances	hodistance	NOUN
hjic-358	66	23	.	.	PUNCT
hjic-358	67	1	given	give	VERB
hjic-358	67	2	the	the	DET
hjic-358	67	3	energetic	energetic	ADJ
hjic-358	67	4	preference	preference	NOUN
hjic-358	67	5	of	of	ADP
hjic-358	67	6	the	the	DET
hjic-358	67	7	o	o	NOUN
hjic-358	67	8	-	-	NOUN
hjic-358	67	9	h	h	ADJ
hjic-358	67	10	…	…	PUNCT
hjic-358	67	11	ohhbonding	ohhbonding	NOUN
hjic-358	67	12	interaction	interaction	NOUN
hjic-358	67	13	,	,	PUNCT
hjic-358	67	14	the	the	DET
hjic-358	67	15	methyl	methyl	NOUN
hjic-358	67	16	group	group	NOUN
hjic-358	67	17	of	of	ADP
hjic-358	67	18	the	the	DET
hjic-358	67	19	acetate	acetate	NOUN
hjic-358	67	20	will	will	AUX
hjic-358	67	21	only	only	ADV
hjic-358	67	22	interact	interact	VERB
hjic-358	67	23	with	with	ADP
hjic-358	67	24	anionic	anionic	ADJ
hjic-358	67	25	groups	group	NOUN
hjic-358	67	26	of	of	ADP
hjic-358	67	27	the	the	DET
hjic-358	67	28	t	t	NOUN
hjic-358	67	29	-	-	PUNCT
hjic-358	67	30	sheet	sheet	NOUN
hjic-358	67	31	with	with	ADP
hjic-358	67	32	representation	representation	NOUN
hjic-358	67	33	c	c	PROPN
hjic-358	67	34	-	-	PUNCT
hjic-358	67	35	h	h	NOUN
hjic-358	67	36	…	…	SYM
hjic-358	67	37	b	b	NOUN
hjic-358	67	38	-	-	PUNCT
hjic-358	67	39	o2distances	o2distance	NOUN
hjic-358	67	40	of	of	ADP
hjic-358	67	41	3.15	3.15	NUM
hjic-358	67	42	and	and	CCONJ
hjic-358	67	43	3.25	3.25	NUM
hjic-358	67	44	å	å	NOUN
hjic-358	67	45	.	.	PUNCT
hjic-358	68	1	the	the	DET
hjic-358	68	2	lack	lack	NOUN
hjic-358	68	3	of	of	ADP
hjic-358	68	4	a	a	DET
hjic-358	68	5	representative	representative	ADJ
hjic-358	68	6	solvent	solvent	NOUN
hjic-358	68	7	environment	environment	NOUN
hjic-358	68	8	is	be	AUX
hjic-358	68	9	of	of	ADP
hjic-358	68	10	less	less	ADJ
hjic-358	68	11	importance	importance	NOUN
hjic-358	68	12	for	for	ADP
hjic-358	68	13	the	the	DET
hjic-358	68	14	position	position	NOUN
hjic-358	68	15	of	of	ADP
hjic-358	68	16	the	the	DET
hjic-358	68	17	potassium	potassium	NOUN
hjic-358	68	18	ion	ion	NOUN
hjic-358	68	19	in	in	ADP
hjic-358	68	20	the	the	DET
hjic-358	68	21	intercalation	intercalation	NOUN
hjic-358	68	22	models	model	NOUN
hjic-358	68	23	,	,	PUNCT
hjic-358	68	24	since	since	SCONJ
hjic-358	68	25	the	the	DET
hjic-358	68	26	inner	inner	ADJ
hjic-358	68	27	environment	environment	NOUN
hjic-358	68	28	of	of	ADP
hjic-358	68	29	this	this	DET
hjic-358	68	30	model	model	NOUN
hjic-358	68	31	will	will	AUX
hjic-358	68	32	likely	likely	ADV
hjic-358	68	33	be	be	AUX
hjic-358	68	34	only	only	ADV
hjic-358	68	35	exposed	expose	VERB
hjic-358	68	36	to	to	ADP
hjic-358	68	37	bulk	bulk	ADJ
hjic-358	68	38	solvent	solvent	NOUN
hjic-358	68	39	only	only	ADV
hjic-358	68	40	to	to	ADP
hjic-358	68	41	a	a	DET
hjic-358	68	42	limited	limited	ADJ
hjic-358	68	43	extent	extent	NOUN
hjic-358	68	44	.	.	PUNCT
hjic-358	69	1	conclusions	conclusion	NOUN
hjic-358	69	2	we	we	PRON
hjic-358	69	3	have	have	AUX
hjic-358	69	4	started	start	VERB
hjic-358	69	5	with	with	ADP
hjic-358	69	6	a	a	DET
hjic-358	69	7	few	few	ADJ
hjic-358	69	8	notable	notable	ADJ
hjic-358	69	9	preliminary	preliminary	ADJ
hjic-358	69	10	results	result	NOUN
hjic-358	69	11	the	the	DET
hjic-358	69	12	establishment	establishment	NOUN
hjic-358	69	13	of	of	ADP
hjic-358	69	14	a	a	DET
hjic-358	69	15	structural	structural	ADJ
hjic-358	69	16	database	database	NOUN
hjic-358	69	17	for	for	ADP
hjic-358	69	18	reference	reference	NOUN
hjic-358	69	19	models	model	NOUN
hjic-358	69	20	related	relate	VERB
hjic-358	69	21	to	to	ADP
hjic-358	69	22	the	the	DET
hjic-358	69	23	adsorption	adsorption	NOUN
hjic-358	69	24	and	and	CCONJ
hjic-358	69	25	intercalation	intercalation	NOUN
hjic-358	69	26	of	of	ADP
hjic-358	69	27	small	small	ADJ
hjic-358	69	28	molecules	molecule	NOUN
hjic-358	69	29	and	and	CCONJ
hjic-358	69	30	kaolinite	kaolinite	NOUN
hjic-358	69	31	.	.	PUNCT
hjic-358	70	1	we	we	PRON
hjic-358	70	2	found	find	VERB
hjic-358	70	3	that	that	SCONJ
hjic-358	70	4	even	even	ADV
hjic-358	70	5	a	a	DET
hjic-358	70	6	modest	modest	ADJ
hjic-358	70	7	level	level	NOUN
hjic-358	70	8	of	of	ADP
hjic-358	70	9	theory	theory	NOUN
hjic-358	70	10	with	with	ADP
hjic-358	70	11	respect	respect	NOUN
hjic-358	70	12	of	of	ADP
hjic-358	70	13	the	the	DET
hjic-358	70	14	basis	basis	NOUN
hjic-358	70	15	set	set	NOUN
hjic-358	70	16	can	can	AUX
hjic-358	70	17	provide	provide	VERB
hjic-358	70	18	reasonable	reasonable	ADJ
hjic-358	70	19	structures	structure	NOUN
hjic-358	70	20	.	.	PUNCT
hjic-358	71	1	these	these	DET
hjic-358	71	2	results	result	NOUN
hjic-358	71	3	allow	allow	VERB
hjic-358	71	4	us	we	PRON
hjic-358	71	5	for	for	ADP
hjic-358	71	6	visualizing	visualize	VERB
hjic-358	71	7	molecular	molecular	ADJ
hjic-358	71	8	structures	structure	NOUN
hjic-358	71	9	in	in	ADP
hjic-358	71	10	order	order	NOUN
hjic-358	71	11	to	to	PART
hjic-358	71	12	rationalize	rationalize	VERB
hjic-358	71	13	experimental	experimental	ADJ
hjic-358	71	14	observables	observable	NOUN
hjic-358	71	15	and	and	CCONJ
hjic-358	71	16	generate	generate	VERB
hjic-358	71	17	new	new	ADJ
hjic-358	71	18	ideas	idea	NOUN
hjic-358	71	19	for	for	ADP
hjic-358	71	20	research	research	NOUN
hjic-358	71	21	directions	direction	NOUN
hjic-358	71	22	.	.	PUNCT
hjic-358	72	1	furthermore	furthermore	ADV
hjic-358	72	2	,	,	PUNCT
hjic-358	72	3	these	these	DET
hjic-358	72	4	models	model	NOUN
hjic-358	72	5	can	can	AUX
hjic-358	72	6	be	be	AUX
hjic-358	72	7	considered	consider	VERB
hjic-358	72	8	as	as	ADP
hjic-358	72	9	initial	initial	ADJ
hjic-358	72	10	structures	structure	NOUN
hjic-358	72	11	for	for	ADP
hjic-358	72	12	higher	high	ADJ
hjic-358	72	13	-	-	PUNCT
hjic-358	72	14	level	level	NOUN
hjic-358	72	15	calculations	calculation	NOUN
hjic-358	72	16	that	that	PRON
hjic-358	72	17	are	be	AUX
hjic-358	72	18	currently	currently	ADV
hjic-358	72	19	in	in	ADP
hjic-358	72	20	progress	progress	NOUN
hjic-358	72	21	in	in	ADP
hjic-358	72	22	our	our	PRON
hjic-358	72	23	laboratory	laboratory	NOUN
hjic-358	72	24	.	.	PUNCT
hjic-358	73	1	acknowledgement	acknowledgement	NOUN
hjic-358	73	2	this	this	DET
hjic-358	73	3	research	research	NOUN
hjic-358	73	4	was	be	AUX
hjic-358	73	5	supported	support	VERB
hjic-358	73	6	by	by	ADP
hjic-358	73	7	the	the	DET
hjic-358	73	8	european	european	PROPN
hjic-358	73	9	union	union	PROPN
hjic-358	73	10	and	and	CCONJ
hjic-358	73	11	the	the	DET
hjic-358	73	12	state	state	NOUN
hjic-358	73	13	of	of	ADP
hjic-358	73	14	hungary	hungary	PROPN
hjic-358	73	15	,	,	PUNCT
hjic-358	73	16	co	co	VERB
hjic-358	73	17	-	-	VERB
hjic-358	73	18	financed	finance	VERB
hjic-358	73	19	by	by	ADP
hjic-358	73	20	the	the	DET
hjic-358	73	21	european	european	ADJ
hjic-358	73	22	social	social	ADJ
hjic-358	73	23	fund	fund	NOUN
hjic-358	73	24	in	in	ADP
hjic-358	73	25	the	the	DET
hjic-358	73	26	framework	framework	NOUN
hjic-358	73	27	of	of	ADP
hjic-358	73	28	támop	támop	NOUN
hjic-358	73	29	4.2.4.a/2	4.2.4.a/2	NUM
hjic-358	73	30	-	-	SYM
hjic-358	73	31	111	111	NUM
hjic-358	73	32	-	-	PUNCT
hjic-358	73	33	2012	2012	NUM
hjic-358	73	34	-	-	PUNCT
hjic-358	73	35	0001	0001	NUM
hjic-358	73	36	‘	'	PUNCT
hjic-358	73	37	national	national	PROPN
hjic-358	73	38	excellence	excellence	NOUN
hjic-358	73	39	program	program	NOUN
hjic-358	73	40	’	'	PUNCT
hjic-358	73	41	(	(	PUNCT
hjic-358	73	42	rks	rk	NOUN
hjic-358	73	43	and	and	CCONJ
hjic-358	73	44	at	at	ADP
hjic-358	73	45	)	)	PUNCT
hjic-358	73	46	and	and	CCONJ
hjic-358	73	47	támop-4.2.2.a-11/1	támop-4.2.2.a-11/1	NUM
hjic-358	73	48	/	/	SYM
hjic-358	73	49	konv-2012	konv-2012	NOUN
hjic-358	73	50	-	-	PUNCT
hjic-358	73	51	0071	0071	NUM
hjic-358	73	52	(	(	PUNCT
hjic-358	73	53	rk	rk	NOUN
hjic-358	73	54	)	)	PUNCT
hjic-358	73	55	.	.	PUNCT
hjic-358	74	1	the	the	DET
hjic-358	74	2	authors	author	NOUN
hjic-358	74	3	acknowledge	acknowledge	VERB
hjic-358	74	4	the	the	DET
hjic-358	74	5	helpful	helpful	ADJ
hjic-358	74	6	discussions	discussion	NOUN
hjic-358	74	7	with	with	ADP
hjic-358	74	8	prof	prof	NOUN
hjic-358	74	9	.	.	PUNCT
hjic-358	75	1	jános	jános	PROPN
hjic-358	75	2	kristóf	kristóf	PROPN
hjic-358	75	3	and	and	CCONJ
hjic-358	75	4	prof	prof	PROPN
hjic-358	75	5	.	.	PUNCT
hjic-358	76	1	erzsébet	erzsébet	PROPN
hjic-358	76	2	horváth	horváth	PROPN
hjic-358	76	3	.	.	PUNCT
hjic-358	77	1	we	we	PRON
hjic-358	77	2	acknowledge	acknowledge	VERB
hjic-358	77	3	the	the	DET
hjic-358	77	4	use	use	NOUN
hjic-358	77	5	of	of	ADP
hjic-358	77	6	the	the	DET
hjic-358	77	7	computational	computational	ADJ
hjic-358	77	8	facilities	facility	NOUN
hjic-358	77	9	at	at	ADP
hjic-358	77	10	montana	montana	PROPN
hjic-358	77	11	state	state	PROPN
hjic-358	77	12	university	university	PROPN
hjic-358	77	13	,	,	PUNCT
hjic-358	77	14	bozeman	bozeman	PROPN
hjic-358	77	15	,	,	PUNCT
hjic-358	77	16	mt	mt	PROPN
hjic-358	77	17	.	.	PROPN
hjic-358	77	18	references	reference	NOUN
hjic-358	78	1	[	[	X
hjic-358	78	2	1	1	NUM
hjic-358	78	3	]	]	X
hjic-358	78	4	smrcok	smrcok	PROPN
hjic-358	78	5	l.	l.	PROPN
hjic-358	78	6	,	,	PUNCT
hjic-358	78	7	tunega	tunega	PROPN
hjic-358	78	8	d.	d.	PROPN
hjic-358	78	9	,	,	PUNCT
hjic-358	78	10	ramirez	ramirez	PROPN
hjic-358	78	11	-	-	PUNCT
hjic-358	78	12	cuesta	cuesta	PROPN
hjic-358	78	13	a.j	a.j	PROPN
hjic-358	78	14	.	.	PROPN
hjic-358	78	15	,	,	PUNCT
hjic-358	78	16	ivanov	ivanov	PROPN
hjic-358	78	17	a.	a.	PROPN
hjic-358	78	18	,	,	PUNCT
hjic-358	78	19	valuchova	valuchova	PROPN
hjic-358	78	20	j.	j.	PROPN
hjic-358	78	21	:	:	PUNCT
hjic-358	78	22	the	the	DET
hjic-358	78	23	combined	combine	VERB
hjic-358	78	24	inelastic	inelastic	ADJ
hjic-358	78	25	neutron	neutron	NOUN
hjic-358	78	26	scattering	scattering	NOUN
hjic-358	78	27	and	and	CCONJ
hjic-358	78	28	solid	solid	ADJ
hjic-358	78	29	-	-	PUNCT
hjic-358	78	30	state	state	NOUN
hjic-358	78	31	dft	dft	NOUN
hjic-358	78	32	study	study	NOUN
hjic-358	78	33	of	of	ADP
hjic-358	78	34	hydrogen	hydrogen	NOUN
hjic-358	78	35	-	-	PUNCT
hjic-358	78	36	atoms	atom	NOUN
hjic-358	78	37	dynamics	dynamic	NOUN
hjic-358	78	38	in	in	ADP
hjic-358	78	39	kaolinitedimethylsulfoxide	kaolinitedimethylsulfoxide	ADJ
hjic-358	78	40	intercalate	intercalate	NOUN
hjic-358	78	41	,	,	PUNCT
hjic-358	78	42	clays	clay	NOUN
hjic-358	78	43	clay	clay	NOUN
hjic-358	78	44	minerals	mineral	NOUN
hjic-358	78	45	,	,	PUNCT
hjic-358	78	46	2010	2010	NUM
hjic-358	78	47	,	,	PUNCT
hjic-358	78	48	58(1	58(1	NUM
hjic-358	78	49	)	)	PUNCT
hjic-358	78	50	,	,	PUNCT
hjic-358	78	51	52–61	52–61	NUM
hjic-358	78	52	[	[	SYM
hjic-358	78	53	2	2	NUM
hjic-358	78	54	]	]	X
hjic-358	78	55	mercier	merci	ADJ
hjic-358	78	56	p.h.j	p.h.j	NOUN
hjic-358	78	57	.	.	PROPN
hjic-358	79	1	,	,	PUNCT
hjic-358	79	2	le	le	PROPN
hjic-358	79	3	page	page	NOUN
hjic-358	79	4	y.	y.	NOUN
hjic-358	79	5	:	:	PUNCT
hjic-358	79	6	rational	rational	ADJ
hjic-358	79	7	ab	ab	PROPN
hjic-358	79	8	initio	initio	NOUN
hjic-358	79	9	modeling	modeling	NOUN
hjic-358	79	10	for	for	ADP
hjic-358	79	11	low	low	ADJ
hjic-358	79	12	energy	energy	NOUN
hjic-358	79	13	hydrogen	hydrogen	NOUN
hjic-358	79	14	-	-	PUNCT
hjic-358	79	15	bonded	bond	VERB
hjic-358	79	16	phyllosilicate	phyllosilicate	NOUN
hjic-358	79	17	polytypes	polytype	NOUN
hjic-358	79	18	,	,	PUNCT
hjic-358	79	19	eu	eu	PROPN
hjic-358	79	20	.	.	PUNCT
hjic-358	79	21	j.	j.	PROPN
hjic-358	79	22	mineral	mineral	PROPN
hjic-358	79	23	.	.	PUNCT
hjic-358	79	24	,	,	PUNCT
hjic-358	79	25	2011	2011	NUM
hjic-358	79	26	,	,	PUNCT
hjic-358	79	27	23(3	23(3	NUM
hjic-358	79	28	)	)	PUNCT
hjic-358	79	29	,	,	PUNCT
hjic-358	79	30	401–407	401–407	NUM
hjic-358	79	31	[	[	X
hjic-358	79	32	3	3	X
hjic-358	79	33	]	]	PUNCT
hjic-358	79	34	geatches	geatches	PROPN
hjic-358	79	35	d.l	d.l	PROPN
hjic-358	79	36	.	.	PROPN
hjic-358	79	37	,	,	PUNCT
hjic-358	79	38	jacquet	jacquet	PROPN
hjic-358	79	39	a.	a.	PROPN
hjic-358	79	40	,	,	PUNCT
hjic-358	79	41	clark	clark	PROPN
hjic-358	79	42	s.j	s.j	PROPN
hjic-358	79	43	.	.	PROPN
hjic-358	79	44	,	,	PUNCT
hjic-358	79	45	greenwell	greenwell	PROPN
hjic-358	79	46	h.c	h.c	PROPN
hjic-358	79	47	.	.	PUNCT
hjic-358	79	48	:	:	PUNCT
hjic-358	80	1	monomer	monomer	NOUN
hjic-358	80	2	adsorption	adsorption	NOUN
hjic-358	80	3	on	on	ADP
hjic-358	80	4	kaolinite	kaolinite	NOUN
hjic-358	80	5	:	:	PUNCT
hjic-358	80	6	modeling	model	VERB
hjic-358	80	7	the	the	DET
hjic-358	80	8	essential	essential	ADJ
hjic-358	80	9	ingredients	ingredient	NOUN
hjic-358	80	10	,	,	PUNCT
hjic-358	80	11	j.	j.	PROPN
hjic-358	80	12	phys	phys	PROPN
hjic-358	80	13	.	.	PUNCT
hjic-358	81	1	chem	chem	PROPN
hjic-358	81	2	.	.	PUNCT
hjic-358	82	1	c	c	X
hjic-358	82	2	,	,	PUNCT
hjic-358	82	3	2012	2012	NUM
hjic-358	82	4	,	,	PUNCT
hjic-358	82	5	116(42	116(42	NUM
hjic-358	82	6	)	)	PUNCT
hjic-358	82	7	,	,	PUNCT
hjic-358	82	8	22365–22374	22365–22374	NUM
hjic-358	82	9	[	[	X
hjic-358	82	10	4	4	X
hjic-358	82	11	]	]	PUNCT
hjic-358	82	12	tunega	tunega	PROPN
hjic-358	82	13	d.	d.	PROPN
hjic-358	82	14	,	,	PUNCT
hjic-358	82	15	bucko	bucko	PROPN
hjic-358	82	16	t.	t.	PROPN
hjic-358	82	17	,	,	PUNCT
hjic-358	82	18	zaoui	zaoui	PROPN
hjic-358	82	19	a.	a.	NOUN
hjic-358	82	20	:	:	PUNCT
hjic-358	82	21	assessment	assessment	NOUN
hjic-358	82	22	of	of	ADP
hjic-358	82	23	ten	ten	NUM
hjic-358	82	24	dft	dft	NOUN
hjic-358	82	25	methods	method	NOUN
hjic-358	82	26	in	in	ADP
hjic-358	82	27	predicting	predict	VERB
hjic-358	82	28	structure	structure	NOUN
hjic-358	82	29	of	of	ADP
hjic-358	82	30	sheet	sheet	NOUN
hjic-358	82	31	silicates	silicate	NOUN
hjic-358	82	32	:	:	PUNCT
hjic-358	82	33	importance	importance	NOUN
hjic-358	82	34	of	of	ADP
hjic-358	82	35	dispersion	dispersion	NOUN
hjic-358	82	36	corrections	correction	NOUN
hjic-358	82	37	,	,	PUNCT
hjic-358	82	38	j.	j.	PROPN
hjic-358	82	39	chem	chem	PROPN
hjic-358	82	40	.	.	PUNCT
hjic-358	83	1	phys	phy	NOUN
hjic-358	83	2	.	.	PUNCT
hjic-358	83	3	,	,	PUNCT
hjic-358	83	4	2012	2012	NUM
hjic-358	83	5	,	,	PUNCT
hjic-358	83	6	137(11	137(11	NUM
hjic-358	83	7	)	)	PUNCT
hjic-358	83	8	,	,	PUNCT
hjic-358	83	9	114105	114105	NUM
hjic-358	83	10	[	[	X
hjic-358	83	11	5	5	X
hjic-358	83	12	]	]	X
hjic-358	83	13	ható	ható	PROPN
hjic-358	83	14	z.	z.	PROPN
hjic-358	83	15	,	,	PUNCT
hjic-358	83	16	makó	makó	VERB
hjic-358	83	17	é	é	PROPN
hjic-358	83	18	.	.	PROPN
hjic-358	83	19	,	,	PUNCT
hjic-358	83	20	kristóf	kristóf	PROPN
hjic-358	83	21	t.	t.	PROPN
hjic-358	83	22	:	:	PUNCT
hjic-358	83	23	water	water	NOUN
hjic-358	83	24	-	-	PUNCT
hjic-358	83	25	mediated	mediate	VERB
hjic-358	83	26	potassium	potassium	NOUN
hjic-358	83	27	acetate	acetate	NOUN
hjic-358	83	28	intercalation	intercalation	NOUN
hjic-358	83	29	in	in	ADP
hjic-358	83	30	kaolinite	kaolinite	NOUN
hjic-358	83	31	as	as	SCONJ
hjic-358	83	32	revealed	reveal	VERB
hjic-358	83	33	by	by	ADP
hjic-358	83	34	molecular	molecular	ADJ
hjic-358	83	35	simulation	simulation	NOUN
hjic-358	83	36	,	,	PUNCT
hjic-358	83	37	j.	j.	PROPN
hjic-358	83	38	mol	mol	PROPN
hjic-358	83	39	.	.	PUNCT
hjic-358	84	1	mod	mod	PROPN
hjic-358	84	2	.	.	PROPN
hjic-358	84	3	2014	2014	NUM
hjic-358	84	4	,	,	PUNCT
hjic-358	84	5	20(3	20(3	NOUN
hjic-358	84	6	)	)	PUNCT
hjic-358	84	7	,	,	PUNCT
hjic-358	85	1	1–10	1–10	NOUN
hjic-358	85	2	[	[	X
hjic-358	85	3	6	6	NUM
hjic-358	85	4	]	]	PUNCT
hjic-358	85	5	michalkova	michalkova	PROPN
hjic-358	85	6	a.	a.	PROPN
hjic-358	85	7	,	,	PUNCT
hjic-358	85	8	robinson	robinson	PROPN
hjic-358	85	9	t.l	t.l	PROPN
hjic-358	85	10	.	.	PROPN
hjic-358	85	11	,	,	PUNCT
hjic-358	85	12	leszczynski	leszczynski	PROPN
hjic-358	85	13	j.	j.	PROPN
hjic-358	85	14	:	:	PUNCT
hjic-358	85	15	adsorption	adsorption	NOUN
hjic-358	85	16	of	of	ADP
hjic-358	85	17	thymine	thymine	PROPN
hjic-358	85	18	and	and	CCONJ
hjic-358	85	19	uracil	uracil	VERB
hjic-358	85	20	on	on	ADP
hjic-358	85	21	1:1	1:1	NUM
hjic-358	85	22	clay	clay	NOUN
hjic-358	85	23	mineral	mineral	NOUN
hjic-358	85	24	surfaces	surface	NOUN
hjic-358	85	25	:	:	PUNCT
hjic-358	85	26	comprehensive	comprehensive	PROPN
hjic-358	85	27	ab	ab	PROPN
hjic-358	85	28	initio	initio	PROPN
hjic-358	85	29	study	study	NOUN
hjic-358	85	30	on	on	ADP
hjic-358	85	31	influence	influence	NOUN
hjic-358	85	32	of	of	ADP
hjic-358	85	33	sodium	sodium	NOUN
hjic-358	85	34	cation	cation	NOUN
hjic-358	85	35	and	and	CCONJ
hjic-358	85	36	water	water	NOUN
hjic-358	85	37	,	,	PUNCT
hjic-358	85	38	pccp	pccp	NOUN
hjic-358	85	39	,	,	PUNCT
hjic-358	85	40	2011	2011	NUM
hjic-358	85	41	,	,	PUNCT
hjic-358	85	42	13(17	13(17	PROPN
hjic-358	85	43	)	)	PUNCT
hjic-358	85	44	,	,	PUNCT
hjic-358	86	1	7862–7881	7862–7881	NUM
hjic-358	86	2	[	[	X
hjic-358	86	3	7	7	NUM
hjic-358	86	4	]	]	X
hjic-358	86	5	dawley	dawley	PROPN
hjic-358	86	6	m.m	m.m	PROPN
hjic-358	86	7	.	.	PROPN
hjic-358	86	8	,	,	PUNCT
hjic-358	86	9	scott	scott	PROPN
hjic-358	86	10	a.m.	a.m.	PROPN
hjic-358	86	11	,	,	PUNCT
hjic-358	86	12	hill	hill	PROPN
hjic-358	86	13	f.c	f.c	PROPN
hjic-358	86	14	.	.	PROPN
hjic-358	86	15	,	,	PUNCT
hjic-358	86	16	leszczynski	leszczynski	PROPN
hjic-358	86	17	j.	j.	PROPN
hjic-358	86	18	,	,	PUNCT
hjic-358	86	19	orlando	orlando	PROPN
hjic-358	86	20	t.m	t.m	PROPN
hjic-358	86	21	.	.	PROPN
hjic-358	86	22	:	:	PUNCT
hjic-358	87	1	adsorption	adsorption	NOUN
hjic-358	87	2	of	of	ADP
hjic-358	87	3	formamide	formamide	ADV
hjic-358	87	4	on	on	ADP
hjic-358	87	5	kaolinite	kaolinite	NOUN
hjic-358	87	6	surfaces	surface	NOUN
hjic-358	87	7	:	:	PUNCT
hjic-358	87	8	a	a	DET
hjic-358	87	9	combined	combine	VERB
hjic-358	87	10	infrared	infrared	ADJ
hjic-358	87	11	experimental	experimental	ADJ
hjic-358	87	12	and	and	CCONJ
hjic-358	87	13	theoretical	theoretical	ADJ
hjic-358	87	14	study	study	NOUN
hjic-358	87	15	,	,	PUNCT
hjic-358	87	16	j.	j.	PROPN
hjic-358	87	17	phys	phys	PROPN
hjic-358	87	18	.	.	PUNCT
hjic-358	88	1	chem	chem	PROPN
hjic-358	88	2	.	.	PUNCT
hjic-358	89	1	c	c	X
hjic-358	89	2	,	,	PUNCT
hjic-358	89	3	2012	2012	NUM
hjic-358	89	4	,	,	PUNCT
hjic-358	89	5	116(45	116(45	NUM
hjic-358	89	6	)	)	PUNCT
hjic-358	89	7	,	,	PUNCT
hjic-358	89	8	23981–23991	23981–23991	NUM
hjic-358	90	1	[	[	X
hjic-358	90	2	8	8	NUM
hjic-358	90	3	]	]	X
hjic-358	90	4	scott	scott	PROPN
hjic-358	90	5	a.m.	a.m.	PROPN
hjic-358	90	6	,	,	PUNCT
hjic-358	90	7	dawley	dawley	PROPN
hjic-358	90	8	m.m	m.m	PROPN
hjic-358	90	9	.	.	PROPN
hjic-358	90	10	,	,	PUNCT
hjic-358	90	11	orlando	orlando	PROPN
hjic-358	90	12	t.m	t.m	PROPN
hjic-358	90	13	.	.	PROPN
hjic-358	90	14	,	,	PUNCT
hjic-358	90	15	hill	hill	PROPN
hjic-358	90	16	f.c	f.c	PROPN
hjic-358	90	17	.	.	PROPN
hjic-358	90	18	,	,	PUNCT
hjic-358	90	19	leszczynski	leszczynski	PROPN
hjic-358	90	20	j.	j.	PROPN
hjic-358	90	21	:	:	PUNCT
hjic-358	90	22	theoretical	theoretical	ADJ
hjic-358	90	23	study	study	NOUN
hjic-358	90	24	of	of	ADP
hjic-358	90	25	the	the	DET
hjic-358	90	26	roles	role	NOUN
hjic-358	90	27	of	of	ADP
hjic-358	90	28	na+	na+	NOUN
hjic-358	90	29	and	and	CCONJ
hjic-358	90	30	water	water	NOUN
hjic-358	90	31	on	on	ADP
hjic-358	90	32	the	the	DET
hjic-358	90	33	adsorption	adsorption	NOUN
hjic-358	90	34	of	of	ADP
hjic-358	90	35	formamide	formamide	ADV
hjic-358	90	36	on	on	ADP
hjic-358	90	37	kaolinite	kaolinite	NOUN
hjic-358	90	38	surfaces	surface	NOUN
hjic-358	90	39	,	,	PUNCT
hjic-358	90	40	j.	j.	PROPN
hjic-358	90	41	phys	phys	PROPN
hjic-358	90	42	.	.	PUNCT
hjic-358	90	43	chem	chem	PROPN
hjic-358	90	44	.	.	PUNCT
hjic-358	91	1	c	c	X
hjic-358	91	2	,	,	PUNCT
hjic-358	91	3	2012	2012	NUM
hjic-358	91	4	,	,	PUNCT
hjic-358	91	5	116(45	116(45	NUM
hjic-358	91	6	)	)	PUNCT
hjic-358	91	7	,	,	PUNCT
hjic-358	91	8	23992–24005	23992–24005	NUM
hjic-358	91	9	[	[	X
hjic-358	91	10	9	9	NUM
hjic-358	91	11	]	]	PUNCT
hjic-358	91	12	song	song	NOUN
hjic-358	91	13	k.h	k.h	PROPN
hjic-358	91	14	.	.	PROPN
hjic-358	91	15	,	,	PUNCT
hjic-358	91	16	wang	wang	PROPN
hjic-358	91	17	x.	x.	PROPN
hjic-358	91	18	,	,	PUNCT
hjic-358	91	19	qian	qian	PROPN
hjic-358	91	20	p.	p.	PROPN
hjic-358	91	21	,	,	PUNCT
hjic-358	91	22	zhang	zhang	PROPN
hjic-358	91	23	c.	c.	PROPN
hjic-358	91	24	,	,	PUNCT
hjic-358	91	25	zhang	zhang	PROPN
hjic-358	91	26	q.	q.	PROPN
hjic-358	91	27	:	:	PUNCT
hjic-358	91	28	theoretical	theoretical	ADJ
hjic-358	91	29	study	study	NOUN
hjic-358	91	30	of	of	ADP
hjic-358	91	31	interaction	interaction	NOUN
hjic-358	91	32	of	of	ADP
hjic-358	91	33	formamide	formamide	ADV
hjic-358	91	34	with	with	ADP
hjic-358	91	35	kaolinite	kaolinite	NOUN
hjic-358	91	36	,	,	PUNCT
hjic-358	91	37	comp	comp	NOUN
hjic-358	91	38	.	.	PUNCT
hjic-358	92	1	theor	theor	PROPN
hjic-358	92	2	.	.	PUNCT
hjic-358	92	3	chem	chem	PROPN
hjic-358	92	4	.	.	PUNCT
hjic-358	92	5	,	,	PUNCT
hjic-358	92	6	2013	2013	NUM
hjic-358	92	7	,	,	PUNCT
hjic-358	92	8	102	102	NUM
hjic-358	92	9	,	,	PUNCT
hjic-358	92	10	72–80	72–80	NUM
hjic-358	93	1	[	[	X
hjic-358	93	2	10	10	NUM
hjic-358	93	3	]	]	X
hjic-358	93	4	bish	bish	PROPN
hjic-358	93	5	d.	d.	PROPN
hjic-358	93	6	l.	l.	PROPN
hjic-358	93	7	:	:	PUNCT
hjic-358	93	8	rietveld	rietveld	PROPN
hjic-358	93	9	refinement	refinement	NOUN
hjic-358	93	10	of	of	ADP
hjic-358	93	11	the	the	DET
hjic-358	93	12	kaolinite	kaolinite	NOUN
hjic-358	93	13	structure	structure	NOUN
hjic-358	93	14	at	at	ADP
hjic-358	93	15	1.5	1.5	NUM
hjic-358	93	16	-	-	SYM
hjic-358	93	17	k	k	NOUN
hjic-358	93	18	,	,	PUNCT
hjic-358	93	19	clays	clay	NOUN
hjic-358	93	20	clay	clay	NOUN
hjic-358	93	21	minerals	mineral	NOUN
hjic-358	93	22	,	,	PUNCT
hjic-358	93	23	1993	1993	NUM
hjic-358	93	24	,	,	PUNCT
hjic-358	93	25	41(6	41(6	NOUN
hjic-358	93	26	)	)	PUNCT
hjic-358	93	27	,	,	PUNCT
hjic-358	93	28	738–744	738–744	NUM
hjic-358	93	29	[	[	X
hjic-358	93	30	11	11	NUM
hjic-358	93	31	]	]	X
hjic-358	93	32	makó	makó	VERB
hjic-358	93	33	é	é	PROPN
hjic-358	93	34	.	.	PROPN
hjic-358	93	35	,	,	PUNCT
hjic-358	93	36	kristóf	kristóf	PROPN
hjic-358	93	37	j.	j.	PROPN
hjic-358	93	38	,	,	PUNCT
hjic-358	93	39	horváth	horváth	PROPN
hjic-358	93	40	e.	e.	PROPN
hjic-358	93	41	,	,	PUNCT
hjic-358	93	42	vágvölgyi	vágvölgyi	PROPN
hjic-358	93	43	v.	v.	PROPN
hjic-358	93	44	:	:	PUNCT
hjic-358	93	45	kaolinite	kaolinite	ADJ
hjic-358	93	46	-	-	PUNCT
hjic-358	93	47	urea	urea	NOUN
hjic-358	93	48	complexes	complex	NOUN
hjic-358	93	49	obtained	obtain	VERB
hjic-358	93	50	by	by	ADP
hjic-358	93	51	mechanochemical	mechanochemical	ADJ
hjic-358	93	52	and	and	CCONJ
hjic-358	93	53	aqueous	aqueous	ADJ
hjic-358	93	54	suspension	suspension	NOUN
hjic-358	93	55	technics	technic	NOUN
hjic-358	93	56	-	-	PUNCT
hjic-358	93	57	a	a	DET
hjic-358	93	58	comparative	comparative	ADJ
hjic-358	93	59	study	study	NOUN
hjic-358	93	60	.	.	PUNCT
hjic-358	94	1	j.	j.	PROPN
hjic-358	94	2	colloid	colloid	PROPN
hjic-358	94	3	inter	inter	PROPN
hjic-358	94	4	.	.	PUNCT
hjic-358	95	1	sci	sci	PROPN
hjic-358	95	2	.	.	PROPN
hjic-358	95	3	,	,	PUNCT
hjic-358	95	4	2009	2009	NUM
hjic-358	95	5	,	,	PUNCT
hjic-358	95	6	330(2	330(2	NUM
hjic-358	95	7	)	)	PUNCT
hjic-358	95	8	,	,	PUNCT
hjic-358	95	9	367–373	367–373	NUM
hjic-358	95	10	[	[	X
hjic-358	95	11	12	12	NUM
hjic-358	95	12	]	]	PUNCT
hjic-358	95	13	gardolinski	gardolinski	PROPN
hjic-358	95	14	j.e.f.c	j.e.f.c	PROPN
hjic-358	95	15	.	.	PROPN
hjic-358	95	16	,	,	PUNCT
hjic-358	95	17	lagaly	lagaly	PROPN
hjic-358	95	18	g.	g.	PROPN
hjic-358	95	19	:	:	PUNCT
hjic-358	95	20	grafted	graft	VERB
hjic-358	95	21	organic	organic	ADJ
hjic-358	95	22	derivatives	derivative	NOUN
hjic-358	95	23	of	of	ADP
hjic-358	95	24	kaolinite	kaolinite	NOUN
hjic-358	95	25	:	:	PUNCT
hjic-358	95	26	i.	i.	NOUN
hjic-358	95	27	synthesis	synthesis	PROPN
hjic-358	95	28	,	,	PUNCT
hjic-358	95	29	chemical	chemical	NOUN
hjic-358	95	30	and	and	CCONJ
hjic-358	95	31	rheological	rheological	ADJ
hjic-358	95	32	characterization	characterization	NOUN
hjic-358	95	33	,	,	PUNCT
hjic-358	95	34	clay	clay	NOUN
hjic-358	95	35	minerals	mineral	NOUN
hjic-358	95	36	,	,	PUNCT
hjic-358	95	37	2005	2005	NUM
hjic-358	95	38	,	,	PUNCT
hjic-358	95	39	40(4	40(4	NUM
hjic-358	95	40	)	)	PUNCT
hjic-358	95	41	,	,	PUNCT
hjic-358	95	42	537–546	537–546	NUM
hjic-358	95	43	[	[	SYM
hjic-358	95	44	13	13	NUM
hjic-358	95	45	]	]	X
hjic-358	95	46	frost	frost	X
hjic-358	95	47	r.l	r.l	PROPN
hjic-358	95	48	.	.	PROPN
hjic-358	95	49	,	,	PUNCT
hjic-358	95	50	kristóf	kristóf	PROPN
hjic-358	95	51	j.	j.	PROPN
hjic-358	95	52	,	,	PUNCT
hjic-358	95	53	kloprogge	kloprogge	PROPN
hjic-358	95	54	j.t	j.t	PROPN
hjic-358	95	55	.	.	PROPN
hjic-358	95	56	,	,	PUNCT
hjic-358	95	57	horváth	horváth	PROPN
hjic-358	95	58	e.	e.	PROPN
hjic-358	95	59	:	:	PUNCT
hjic-358	95	60	rehydration	rehydration	NOUN
hjic-358	95	61	of	of	ADP
hjic-358	95	62	potassium	potassium	NOUN
hjic-358	95	63	acetateintercalated	acetateintercalate	VERB
hjic-358	95	64	kaolinite	kaolinite	NOUN
hjic-358	95	65	at	at	ADP
hjic-358	95	66	298	298	NUM
hjic-358	95	67	k.	k.	PROPN
hjic-358	95	68	langmuir	langmuir	PROPN
hjic-358	95	69	,	,	PUNCT
hjic-358	95	70	2000	2000	NUM
hjic-358	95	71	,	,	PUNCT
hjic-358	95	72	16(12	16(12	NUM
hjic-358	95	73	)	)	PUNCT
hjic-358	95	74	,	,	PUNCT
hjic-358	95	75	5402–5408	5402–5408	PROPN
hjic-358	95	76	[	[	X
hjic-358	95	77	14	14	NUM
hjic-358	95	78	]	]	X
hjic-358	95	79	lee	lee	PROPN
hjic-358	95	80	c.t	c.t	PROPN
hjic-358	95	81	.	.	PROPN
hjic-358	95	82	,	,	PUNCT
hjic-358	96	1	yang	yang	PROPN
hjic-358	96	2	w.t	w.t	PROPN
hjic-358	96	3	.	.	PROPN
hjic-358	96	4	,	,	PUNCT
hjic-358	96	5	parr	parr	PROPN
hjic-358	96	6	r.g	r.g	PROPN
hjic-358	96	7	.	.	PROPN
hjic-358	96	8	:	:	PUNCT
hjic-358	97	1	development	development	NOUN
hjic-358	97	2	of	of	ADP
hjic-358	97	3	the	the	DET
hjic-358	97	4	colle	colle	NOUN
hjic-358	97	5	-	-	PUNCT
hjic-358	97	6	salvetti	salvetti	VERB
hjic-358	97	7	correlation	correlation	NOUN
hjic-358	97	8	energy	energy	NOUN
hjic-358	97	9	formula	formula	NOUN
hjic-358	97	10	into	into	ADP
hjic-358	97	11	a	a	DET
hjic-358	97	12	functional	functional	NOUN
hjic-358	97	13	of	of	ADP
hjic-358	97	14	the	the	DET
hjic-358	97	15	electron	electron	NOUN
hjic-358	97	16	-	-	PUNCT
hjic-358	97	17	density	density	NOUN
hjic-358	97	18	,	,	PUNCT
hjic-358	97	19	phys	phy	NOUN
hjic-358	97	20	.	.	PUNCT
hjic-358	98	1	rev	rev	PROPN
hjic-358	98	2	.	.	PROPN
hjic-358	99	1	b	b	NUM
hjic-358	99	2	,	,	PUNCT
hjic-358	99	3	1988	1988	NUM
hjic-358	99	4	,	,	PUNCT
hjic-358	99	5	37(2	37(2	NOUN
hjic-358	99	6	)	)	PUNCT
hjic-358	99	7	,	,	PUNCT
hjic-358	100	1	785–789	785–789	NUM
hjic-358	100	2	[	[	X
hjic-358	100	3	15	15	NUM
hjic-358	100	4	]	]	X
hjic-358	100	5	becke	becke	PROPN
hjic-358	100	6	a.d	a.d	PROPN
hjic-358	100	7	.	.	PROPN
hjic-358	100	8	:	:	PUNCT
hjic-358	100	9	density	density	NOUN
hjic-358	100	10	-	-	PUNCT
hjic-358	100	11	functional	functional	ADJ
hjic-358	100	12	thermochemistry	thermochemistry	NOUN
hjic-358	100	13	3	3	NUM
hjic-358	100	14	the	the	DET
hjic-358	100	15	role	role	NOUN
hjic-358	100	16	of	of	ADP
hjic-358	100	17	exact	exact	ADJ
hjic-358	100	18	exchange	exchange	NOUN
hjic-358	100	19	,	,	PUNCT
hjic-358	100	20	j.	j.	PROPN
hjic-358	100	21	chem	chem	PROPN
hjic-358	100	22	.	.	PUNCT
hjic-358	101	1	phys	phy	NOUN
hjic-358	101	2	.	.	PUNCT
hjic-358	102	1	1993	1993	NUM
hjic-358	102	2	,	,	PUNCT
hjic-358	102	3	98(7	98(7	NUM
hjic-358	102	4	)	)	PUNCT
hjic-358	102	5	,	,	PUNCT
hjic-358	102	6	5648–5652	5648–5652	NUM
hjic-358	103	1	[	[	X
hjic-358	103	2	16	16	NUM
hjic-358	103	3	]	]	X
hjic-358	103	4	dunning	dun	VERB
hjic-358	103	5	jr	jr	PROPN
hjic-358	103	6	.	.	PROPN
hjic-358	104	1	t.h	t.h	PROPN
hjic-358	104	2	.	.	PROPN
hjic-358	104	3	,	,	PUNCT
hjic-358	104	4	hay	hay	PROPN
hjic-358	104	5	p.j	p.j	PROPN
hjic-358	104	6	.	.	PROPN
hjic-358	104	7	,	,	PUNCT
hjic-358	104	8	(	(	PUNCT
hjic-358	104	9	ed	ed	NOUN
hjic-358	104	10	.	.	PUNCT
hjic-358	104	11	:	:	PUNCT
hjic-358	105	1	schaefer	schaefer	PROPN
hjic-358	105	2	iii	iii	PROPN
hjic-358	105	3	h.f	h.f	PROPN
hjic-358	105	4	.	.	PROPN
hjic-358	105	5	):	):	PUNCT
hjic-358	105	6	modern	modern	ADJ
hjic-358	105	7	theoretical	theoretical	ADJ
hjic-358	105	8	chemistry	chemistry	NOUN
hjic-358	105	9	:	:	PUNCT
hjic-358	105	10	methods	method	NOUN
hjic-358	105	11	of	of	ADP
hjic-358	105	12	electronic	electronic	ADJ
hjic-358	105	13	structure	structure	NOUN
hjic-358	105	14	theory	theory	NOUN
hjic-358	105	15	,	,	PUNCT
hjic-358	105	16	plenum	plenum	PROPN
hjic-358	105	17	,	,	PUNCT
hjic-358	105	18	new	new	PROPN
hjic-358	105	19	york	york	PROPN
hjic-358	105	20	1976	1976	NUM
hjic-358	105	21	,	,	PUNCT
hjic-358	105	22	vol	vol	NOUN
hjic-358	105	23	.	.	PROPN
hjic-358	106	1	3	3	NUM
hjic-358	106	2	,	,	PUNCT
hjic-358	106	3	pp	pp	ADJ
hjic-358	106	4	.	.	PUNCT
hjic-358	107	1	1–28	1–28	X
hjic-358	108	1	[	[	X
hjic-358	108	2	17	17	NUM
hjic-358	108	3	]	]	PUNCT
hjic-358	108	4	frisch	frisch	VERB
hjic-358	108	5	m.j.t	m.j.t	NOUN
hjic-358	108	6	.	.	PUNCT
hjic-358	108	7	,	,	PUNCT
hjic-358	108	8	trucks	trucks	PROPN
hjic-358	108	9	g.w	g.w	PROPN
hjic-358	108	10	.	.	PROPN
hjic-358	108	11	,	,	PUNCT
hjic-358	108	12	schlegel	schlegel	PROPN
hjic-358	108	13	h.b	h.b	PROPN
hjic-358	108	14	.	.	PROPN
hjic-358	108	15	,	,	PUNCT
hjic-358	108	16	scuseria	scuseria	PROPN
hjic-358	108	17	g.e	g.e	PROPN
hjic-358	108	18	.	.	PROPN
hjic-358	108	19	,	,	PUNCT
hjic-358	108	20	robb	robb	PROPN
hjic-358	108	21	m.a	m.a	PROPN
hjic-358	108	22	.	.	PROPN
hjic-358	108	23	,	,	PUNCT
hjic-358	108	24	cheeseman	cheeseman	PROPN
hjic-358	108	25	j.r	j.r	PROPN
hjic-358	108	26	.	.	PROPN
hjic-358	108	27	;	;	PUNCT
hjic-358	108	28	et	et	PROPN
hjic-358	108	29	alas	alas	INTJ
hjic-358	108	30	:	:	PUNCT
hjic-358	108	31	revision	revision	NOUN
hjic-358	108	32	d.01	d.01	DET
hjic-358	108	33	ed	ed	NOUN
hjic-358	108	34	.	.	PROPN
hjic-358	108	35	,	,	PUNCT
hjic-358	108	36	gaussian	gaussian	PROPN
hjic-358	108	37	,	,	PUNCT
hjic-358	108	38	inc	inc	PROPN
hjic-358	108	39	.	.	PROPN
hjic-358	108	40	,	,	PUNCT
hjic-358	108	41	wallingford	wallingford	PROPN
hjic-358	108	42	ct	ct	PROPN
hjic-358	108	43	,	,	PUNCT
hjic-358	108	44	2009	2009	NUM