id	sid	tid	token	lemma	pos
6969z031p2d	1	1	actinide	actinide	ADJ
6969z031p2d	1	2	materials	material	NOUN
6969z031p2d	1	3	are	be	AUX
6969z031p2d	1	4	central	central	ADJ
6969z031p2d	1	5	to	to	ADP
6969z031p2d	1	6	the	the	DET
6969z031p2d	1	7	fission	fission	NOUN
6969z031p2d	1	8	-	-	PUNCT
6969z031p2d	1	9	based	base	VERB
6969z031p2d	1	10	nuclear	nuclear	ADJ
6969z031p2d	1	11	energy	energy	NOUN
6969z031p2d	1	12	systems	system	NOUN
6969z031p2d	1	13	.	.	PUNCT
6969z031p2d	2	1	the	the	DET
6969z031p2d	2	2	challenges	challenge	NOUN
6969z031p2d	2	3	with	with	ADP
6969z031p2d	2	4	the	the	DET
6969z031p2d	2	5	nuclear	nuclear	ADJ
6969z031p2d	2	6	energy	energy	NOUN
6969z031p2d	2	7	generation	generation	NOUN
6969z031p2d	2	8	are	be	AUX
6969z031p2d	2	9	the	the	DET
6969z031p2d	2	10	safety	safety	NOUN
6969z031p2d	2	11	of	of	ADP
6969z031p2d	2	12	nuclear	nuclear	ADJ
6969z031p2d	2	13	power	power	NOUN
6969z031p2d	2	14	plants	plant	NOUN
6969z031p2d	2	15	,	,	PUNCT
6969z031p2d	2	16	the	the	DET
6969z031p2d	2	17	disposal	disposal	NOUN
6969z031p2d	2	18	of	of	ADP
6969z031p2d	2	19	nuclear	nuclear	ADJ
6969z031p2d	2	20	waste	waste	NOUN
6969z031p2d	2	21	,	,	PUNCT
6969z031p2d	2	22	and	and	CCONJ
6969z031p2d	2	23	the	the	DET
6969z031p2d	2	24	possible	possible	ADJ
6969z031p2d	2	25	diversion	diversion	NOUN
6969z031p2d	2	26	of	of	ADP
6969z031p2d	2	27	nuclear	nuclear	ADJ
6969z031p2d	2	28	material	material	NOUN
6969z031p2d	2	29	for	for	ADP
6969z031p2d	2	30	the	the	DET
6969z031p2d	2	31	production	production	NOUN
6969z031p2d	2	32	of	of	ADP
6969z031p2d	2	33	nuclear	nuclear	ADJ
6969z031p2d	2	34	weapons	weapon	NOUN
6969z031p2d	2	35	.	.	PUNCT
6969z031p2d	3	1	these	these	DET
6969z031p2d	3	2	problems	problem	NOUN
6969z031p2d	3	3	must	must	AUX
6969z031p2d	3	4	be	be	AUX
6969z031p2d	3	5	addressed	address	VERB
6969z031p2d	3	6	to	to	PART
6969z031p2d	3	7	make	make	VERB
6969z031p2d	3	8	nuclear	nuclear	ADJ
6969z031p2d	3	9	energy	energy	NOUN
6969z031p2d	3	10	safer	safe	ADJ
6969z031p2d	3	11	and	and	CCONJ
6969z031p2d	3	12	cheaper	cheap	ADJ
6969z031p2d	3	13	.	.	PUNCT
6969z031p2d	4	1	a	a	DET
6969z031p2d	4	2	deep	deep	ADJ
6969z031p2d	4	3	understanding	understanding	NOUN
6969z031p2d	4	4	and	and	CCONJ
6969z031p2d	4	5	characterization	characterization	NOUN
6969z031p2d	4	6	of	of	ADP
6969z031p2d	4	7	actinide	actinide	ADJ
6969z031p2d	4	8	materials	material	NOUN
6969z031p2d	4	9	are	be	AUX
6969z031p2d	4	10	required	require	VERB
6969z031p2d	4	11	to	to	PART
6969z031p2d	4	12	design	design	VERB
6969z031p2d	4	13	the	the	DET
6969z031p2d	4	14	next	next	ADJ
6969z031p2d	4	15	-	-	PUNCT
6969z031p2d	4	16	generation	generation	NOUN
6969z031p2d	4	17	nuclear	nuclear	ADJ
6969z031p2d	4	18	energy	energy	NOUN
6969z031p2d	4	19	systems	system	NOUN
6969z031p2d	4	20	.	.	PUNCT
6969z031p2d	5	1	this	this	DET
6969z031p2d	5	2	thesis	thesis	NOUN
6969z031p2d	5	3	focuses	focus	VERB
6969z031p2d	5	4	on	on	ADP
6969z031p2d	5	5	actinide	actinide	ADJ
6969z031p2d	5	6	materials	material	NOUN
6969z031p2d	5	7	in	in	ADP
6969z031p2d	5	8	aqueous	aqueous	ADJ
6969z031p2d	5	9	phase	phase	NOUN
6969z031p2d	5	10	using	use	VERB
6969z031p2d	5	11	computational	computational	ADJ
6969z031p2d	5	12	methods	method	NOUN
6969z031p2d	5	13	.	.	PUNCT
6969z031p2d	6	1	di	di	NOUN
6969z031p2d	6	2	-	-	PUNCT
6969z031p2d	6	3	oxo	oxo	NOUN
6969z031p2d	6	4	actinide	actinide	ADJ
6969z031p2d	6	5	cations	cation	NOUN
6969z031p2d	6	6	(	(	PUNCT
6969z031p2d	6	7	ano$^{n+}2	ano$^{n+}2	PROPN
6969z031p2d	6	8	$	$	SYM
6969z031p2d	6	9	,	,	PUNCT
6969z031p2d	6	10	$	$	SYM
6969z031p2d	6	11	n$=1	n$=1	NOUN
6969z031p2d	6	12	,	,	PUNCT
6969z031p2d	6	13	2	2	NUM
6969z031p2d	6	14	)	)	PUNCT
6969z031p2d	6	15	or	or	CCONJ
6969z031p2d	6	16	better	well	ADV
6969z031p2d	6	17	known	know	VERB
6969z031p2d	6	18	as	as	SCONJ
6969z031p2d	6	19	actinyl	actinyl	PROPN
6969z031p2d	6	20	ions	ion	NOUN
6969z031p2d	6	21	are	be	AUX
6969z031p2d	6	22	commonly	commonly	ADV
6969z031p2d	6	23	found	find	VERB
6969z031p2d	6	24	and	and	CCONJ
6969z031p2d	6	25	important	important	ADJ
6969z031p2d	6	26	species	specie	NOUN
6969z031p2d	6	27	in	in	ADP
6969z031p2d	6	28	solutions	solution	NOUN
6969z031p2d	6	29	and	and	CCONJ
6969z031p2d	6	30	in	in	ADP
6969z031p2d	6	31	nuclear	nuclear	ADJ
6969z031p2d	6	32	fuel	fuel	NOUN
6969z031p2d	6	33	cycle	cycle	NOUN
6969z031p2d	6	34	.	.	PUNCT
6969z031p2d	7	1	speciation	speciation	NOUN
6969z031p2d	7	2	,	,	PUNCT
6969z031p2d	7	3	thermodynamic	thermodynamic	ADJ
6969z031p2d	7	4	and	and	CCONJ
6969z031p2d	7	5	transport	transport	NOUN
6969z031p2d	7	6	properties	property	NOUN
6969z031p2d	7	7	of	of	ADP
6969z031p2d	7	8	the	the	DET
6969z031p2d	7	9	actinyl	actinyl	PROPN
6969z031p2d	7	10	ions	ion	NOUN
6969z031p2d	7	11	are	be	AUX
6969z031p2d	7	12	of	of	ADP
6969z031p2d	7	13	the	the	DET
6969z031p2d	7	14	primary	primary	ADJ
6969z031p2d	7	15	focus	focus	NOUN
6969z031p2d	7	16	in	in	ADP
6969z031p2d	7	17	the	the	DET
6969z031p2d	7	18	present	present	ADJ
6969z031p2d	7	19	work	work	NOUN
6969z031p2d	7	20	.	.	PUNCT
6969z031p2d	8	1	the	the	DET
6969z031p2d	8	2	most	most	ADV
6969z031p2d	8	3	appropriate	appropriate	ADJ
6969z031p2d	8	4	way	way	NOUN
6969z031p2d	8	5	to	to	PART
6969z031p2d	8	6	study	study	VERB
6969z031p2d	8	7	these	these	DET
6969z031p2d	8	8	properties	property	NOUN
6969z031p2d	8	9	are	be	AUX
6969z031p2d	8	10	by	by	ADP
6969z031p2d	8	11	using	use	VERB
6969z031p2d	8	12	molecular	molecular	ADJ
6969z031p2d	8	13	dynamics	dynamic	NOUN
6969z031p2d	8	14	(	(	PUNCT
6969z031p2d	8	15	md	md	PROPN
6969z031p2d	8	16	)	)	PUNCT
6969z031p2d	8	17	simulations	simulation	NOUN
6969z031p2d	8	18	.	.	PUNCT
6969z031p2d	9	1	central	central	ADJ
6969z031p2d	9	2	to	to	ADP
6969z031p2d	9	3	md	md	PROPN
6969z031p2d	9	4	simulations	simulation	NOUN
6969z031p2d	9	5	are	be	AUX
6969z031p2d	9	6	the	the	DET
6969z031p2d	9	7	force	force	NOUN
6969z031p2d	9	8	field	field	NOUN
6969z031p2d	9	9	parameters	parameter	NOUN
6969z031p2d	9	10	,	,	PUNCT
6969z031p2d	9	11	which	which	PRON
6969z031p2d	9	12	model	model	VERB
6969z031p2d	9	13	the	the	DET
6969z031p2d	9	14	interactions	interaction	NOUN
6969z031p2d	9	15	between	between	ADP
6969z031p2d	9	16	atoms	atom	NOUN
6969z031p2d	9	17	.	.	PUNCT
6969z031p2d	10	1	first	first	ADV
6969z031p2d	10	2	,	,	PUNCT
6969z031p2d	10	3	a	a	DET
6969z031p2d	10	4	general	general	ADJ
6969z031p2d	10	5	approach	approach	NOUN
6969z031p2d	10	6	is	be	AUX
6969z031p2d	10	7	developed	develop	VERB
6969z031p2d	10	8	to	to	PART
6969z031p2d	10	9	obtain	obtain	VERB
6969z031p2d	10	10	force	force	NOUN
6969z031p2d	10	11	fields	field	NOUN
6969z031p2d	10	12	for	for	ADP
6969z031p2d	10	13	actinide	actinide	ADJ
6969z031p2d	10	14	systems	system	NOUN
6969z031p2d	10	15	via	via	ADP
6969z031p2d	10	16	electronic	electronic	ADJ
6969z031p2d	10	17	structure	structure	NOUN
6969z031p2d	10	18	-	-	PUNCT
6969z031p2d	10	19	quantum	quantum	NOUN
6969z031p2d	10	20	-	-	PUNCT
6969z031p2d	10	21	mechanical	mechanical	ADJ
6969z031p2d	10	22	(	(	PUNCT
6969z031p2d	10	23	qm	qm	NOUN
6969z031p2d	10	24	)	)	PUNCT
6969z031p2d	10	25	calculations	calculation	NOUN
6969z031p2d	10	26	which	which	PRON
6969z031p2d	10	27	include	include	VERB
6969z031p2d	10	28	important	important	ADJ
6969z031p2d	10	29	many	many	ADJ
6969z031p2d	10	30	body	body	NOUN
6969z031p2d	10	31	solvation	solvation	NOUN
6969z031p2d	10	32	effects	effect	NOUN
6969z031p2d	10	33	.	.	PUNCT
6969z031p2d	11	1	effective	effective	ADJ
6969z031p2d	11	2	pairwise	pairwise	NOUN
6969z031p2d	11	3	additive	additive	ADJ
6969z031p2d	11	4	force	force	NOUN
6969z031p2d	11	5	field	field	NOUN
6969z031p2d	11	6	parameters	parameter	NOUN
6969z031p2d	11	7	for	for	ADP
6969z031p2d	11	8	ano$2^{n+}$--water	ano$2^{n+}$--water	NOUN
6969z031p2d	11	9	interactions	interaction	NOUN
6969z031p2d	11	10	(	(	PUNCT
6969z031p2d	11	11	an	an	DET
6969z031p2d	11	12	=	=	NOUN
6969z031p2d	11	13	u	u	PROPN
6969z031p2d	11	14	,	,	PUNCT
6969z031p2d	11	15	np	np	PROPN
6969z031p2d	11	16	,	,	PUNCT
6969z031p2d	11	17	pu	pu	PROPN
6969z031p2d	11	18	,	,	PUNCT
6969z031p2d	11	19	am	be	AUX
6969z031p2d	11	20	and	and	CCONJ
6969z031p2d	11	21	$	$	SYM
6969z031p2d	11	22	n$	n$	X
6969z031p2d	11	23	=	=	NOUN
6969z031p2d	11	24	1	1	NUM
6969z031p2d	11	25	,	,	PUNCT
6969z031p2d	11	26	2	2	NUM
6969z031p2d	11	27	)	)	PUNCT
6969z031p2d	11	28	were	be	AUX
6969z031p2d	11	29	obtained	obtain	VERB
6969z031p2d	11	30	using	use	VERB
6969z031p2d	11	31	the	the	DET
6969z031p2d	11	32	proposed	propose	VERB
6969z031p2d	11	33	approach	approach	NOUN
6969z031p2d	11	34	.	.	PUNCT
6969z031p2d	12	1	the	the	DET
6969z031p2d	12	2	force	force	NOUN
6969z031p2d	12	3	field	field	NOUN
6969z031p2d	12	4	utilizes	utilize	VERB
6969z031p2d	12	5	a	a	DET
6969z031p2d	12	6	simple	simple	ADJ
6969z031p2d	12	7	lennard	lennard	PROPN
6969z031p2d	12	8	-	-	PUNCT
6969z031p2d	12	9	jones	jones	PROPN
6969z031p2d	12	10	plus	plus	CCONJ
6969z031p2d	12	11	electrostatics	electrostatic	NOUN
6969z031p2d	12	12	form	form	NOUN
6969z031p2d	12	13	,	,	PUNCT
6969z031p2d	12	14	and	and	CCONJ
6969z031p2d	12	15	can	can	AUX
6969z031p2d	12	16	be	be	AUX
6969z031p2d	12	17	further	far	ADV
6969z031p2d	12	18	used	use	VERB
6969z031p2d	12	19	to	to	PART
6969z031p2d	12	20	extend	extend	VERB
6969z031p2d	12	21	the	the	DET
6969z031p2d	12	22	force	force	NOUN
6969z031p2d	12	23	field	field	NOUN
6969z031p2d	12	24	to	to	ADP
6969z031p2d	12	25	other	other	ADJ
6969z031p2d	12	26	systems	system	NOUN
6969z031p2d	12	27	using	use	VERB
6969z031p2d	12	28	mixing	mix	VERB
6969z031p2d	12	29	rules	rule	NOUN
6969z031p2d	12	30	.	.	PUNCT
6969z031p2d	13	1	further	far	ADV
6969z031p2d	13	2	,	,	PUNCT
6969z031p2d	13	3	intramolecular	intramolecular	ADJ
6969z031p2d	13	4	force	force	NOUN
6969z031p2d	13	5	fields	field	NOUN
6969z031p2d	13	6	for	for	ADP
6969z031p2d	13	7	stretching	stretch	VERB
6969z031p2d	13	8	and	and	CCONJ
6969z031p2d	13	9	bending	bending	NOUN
6969z031p2d	13	10	of	of	ADP
6969z031p2d	13	11	the	the	DET
6969z031p2d	13	12	actinyl	actinyl	PROPN
6969z031p2d	13	13	ions	ion	NOUN
6969z031p2d	13	14	were	be	AUX
6969z031p2d	13	15	developed	develop	VERB
6969z031p2d	13	16	from	from	ADP
6969z031p2d	13	17	qm	qm	PROPN
6969z031p2d	13	18	calculations	calculation	NOUN
6969z031p2d	13	19	.	.	PUNCT
6969z031p2d	14	1	developed	develop	VERB
6969z031p2d	14	2	force	force	NOUN
6969z031p2d	14	3	field	field	NOUN
6969z031p2d	14	4	parameters	parameter	NOUN
6969z031p2d	14	5	were	be	AUX
6969z031p2d	14	6	used	use	VERB
6969z031p2d	14	7	in	in	ADP
6969z031p2d	14	8	md	md	PROPN
6969z031p2d	14	9	simulations	simulation	NOUN
6969z031p2d	14	10	to	to	PART
6969z031p2d	14	11	simulate	simulate	VERB
6969z031p2d	14	12	actinyl	actinyl	PROPN
6969z031p2d	14	13	ions	ion	NOUN
6969z031p2d	14	14	in	in	ADP
6969z031p2d	14	15	water	water	NOUN
6969z031p2d	14	16	.	.	PUNCT
6969z031p2d	15	1	the	the	DET
6969z031p2d	15	2	predicted	predict	VERB
6969z031p2d	15	3	hydration	hydration	NOUN
6969z031p2d	15	4	free	free	ADJ
6969z031p2d	15	5	energies	energy	NOUN
6969z031p2d	15	6	and	and	CCONJ
6969z031p2d	15	7	water	water	NOUN
6969z031p2d	15	8	coordination	coordination	NOUN
6969z031p2d	15	9	numbers	number	NOUN
6969z031p2d	15	10	for	for	ADP
6969z031p2d	15	11	actinyl	actinyl	PROPN
6969z031p2d	15	12	ions	ion	NOUN
6969z031p2d	15	13	match	match	VERB
6969z031p2d	15	14	well	well	ADV
6969z031p2d	15	15	with	with	ADP
6969z031p2d	15	16	the	the	DET
6969z031p2d	15	17	available	available	ADJ
6969z031p2d	15	18	experimental	experimental	ADJ
6969z031p2d	15	19	data	datum	NOUN
6969z031p2d	15	20	.	.	PUNCT
6969z031p2d	16	1	studying	study	VERB
6969z031p2d	16	2	the	the	DET
6969z031p2d	16	3	dynamic	dynamic	ADJ
6969z031p2d	16	4	properties	property	NOUN
6969z031p2d	16	5	,	,	PUNCT
6969z031p2d	16	6	actinyl	actinyl	PROPN
6969z031p2d	16	7	ions	ion	NOUN
6969z031p2d	16	8	were	be	AUX
6969z031p2d	16	9	found	find	VERB
6969z031p2d	16	10	to	to	PART
6969z031p2d	16	11	diffuse	diffuse	VERB
6969z031p2d	16	12	with	with	ADP
6969z031p2d	16	13	five	five	NUM
6969z031p2d	16	14	water	water	NOUN
6969z031p2d	16	15	molecules	molecule	NOUN
6969z031p2d	16	16	as	as	ADP
6969z031p2d	16	17	an	an	DET
6969z031p2d	16	18	"	"	PUNCT
6969z031p2d	16	19	iceberg	iceberg	NOUN
6969z031p2d	16	20	''	''	PUNCT
6969z031p2d	16	21	,	,	PUNCT
6969z031p2d	16	22	resulting	result	VERB
6969z031p2d	16	23	in	in	ADP
6969z031p2d	16	24	considerably	considerably	ADV
6969z031p2d	16	25	slower	slow	ADJ
6969z031p2d	16	26	diffusion	diffusion	NOUN
6969z031p2d	16	27	when	when	SCONJ
6969z031p2d	16	28	compared	compare	VERB
6969z031p2d	16	29	to	to	ADP
6969z031p2d	16	30	pure	pure	ADJ
6969z031p2d	16	31	water	water	NOUN
6969z031p2d	16	32	.	.	PUNCT
6969z031p2d	17	1	monocation	monocation	PROPN
6969z031p2d	17	2	actinyl	actinyl	PROPN
6969z031p2d	17	3	ions	ion	NOUN
6969z031p2d	17	4	diffuse	diffuse	NOUN
6969z031p2d	17	5	only	only	ADV
6969z031p2d	17	6	slightly	slightly	ADV
6969z031p2d	17	7	faster	fast	ADJ
6969z031p2d	17	8	than	than	ADP
6969z031p2d	17	9	their	their	PRON
6969z031p2d	17	10	dication	dication	NOUN
6969z031p2d	17	11	counterparts	counterpart	NOUN
6969z031p2d	17	12	.	.	PUNCT
6969z031p2d	18	1	mechanisms	mechanism	NOUN
6969z031p2d	18	2	and	and	CCONJ
6969z031p2d	18	3	rate	rate	NOUN
6969z031p2d	18	4	constants	constant	NOUN
6969z031p2d	18	5	for	for	SCONJ
6969z031p2d	18	6	the	the	DET
6969z031p2d	18	7	water	water	NOUN
6969z031p2d	18	8	exchanges	exchange	NOUN
6969z031p2d	18	9	between	between	ADP
6969z031p2d	18	10	the	the	DET
6969z031p2d	18	11	first	first	ADJ
6969z031p2d	18	12	and	and	CCONJ
6969z031p2d	18	13	outer	outer	ADJ
6969z031p2d	18	14	coordination	coordination	NOUN
6969z031p2d	18	15	shells	shell	NOUN
6969z031p2d	18	16	of	of	ADP
6969z031p2d	18	17	actinyl	actinyl	PROPN
6969z031p2d	18	18	ions	ion	NOUN
6969z031p2d	18	19	were	be	AUX
6969z031p2d	18	20	studied	study	VERB
6969z031p2d	18	21	.	.	PUNCT
6969z031p2d	19	1	an	an	DET
6969z031p2d	19	2	associative	associative	ADJ
6969z031p2d	19	3	interchange	interchange	NOUN
6969z031p2d	19	4	exchange	exchange	NOUN
6969z031p2d	19	5	mechanism	mechanism	NOUN
6969z031p2d	19	6	was	be	AUX
6969z031p2d	19	7	observed	observe	VERB
6969z031p2d	19	8	for	for	ADP
6969z031p2d	19	9	+2	+2	PROPN
6969z031p2d	19	10	charged	charge	VERB
6969z031p2d	19	11	actinyl	actinyl	PROPN
6969z031p2d	19	12	ions	ion	NOUN
6969z031p2d	19	13	,	,	PUNCT
6969z031p2d	19	14	whereas	whereas	SCONJ
6969z031p2d	19	15	a	a	DET
6969z031p2d	19	16	dissociative	dissociative	ADJ
6969z031p2d	19	17	mechanism	mechanism	NOUN
6969z031p2d	19	18	was	be	AUX
6969z031p2d	19	19	observed	observe	VERB
6969z031p2d	19	20	for	for	SCONJ
6969z031p2d	19	21	+1	+1	NOUN
6969z031p2d	19	22	charged	charge	VERB
6969z031p2d	19	23	actinyl	actinyl	PROPN
6969z031p2d	19	24	ions	ion	NOUN
6969z031p2d	19	25	.	.	PUNCT
6969z031p2d	20	1	factors	factor	NOUN
6969z031p2d	20	2	governing	govern	VERB
6969z031p2d	20	3	the	the	DET
6969z031p2d	20	4	exchange	exchange	NOUN
6969z031p2d	20	5	were	be	AUX
6969z031p2d	20	6	identified	identify	VERB
6969z031p2d	20	7	:	:	PUNCT
6969z031p2d	20	8	o	o	ADP
6969z031p2d	20	9	=	=	PRON
6969z031p2d	20	10	an	an	DET
6969z031p2d	20	11	=	=	NOUN
6969z031p2d	20	12	o	o	NOUN
6969z031p2d	20	13	angle	angle	NOUN
6969z031p2d	20	14	flexibility	flexibility	NOUN
6969z031p2d	20	15	for	for	ADP
6969z031p2d	20	16	+2	+2	PROPN
6969z031p2d	20	17	actinyl	actinyl	NOUN
6969z031p2d	20	18	ions	ion	NOUN
6969z031p2d	20	19	,	,	PUNCT
6969z031p2d	20	20	whereas	whereas	SCONJ
6969z031p2d	20	21	distance	distance	NOUN
6969z031p2d	20	22	between	between	ADP
6969z031p2d	20	23	central	central	ADJ
6969z031p2d	20	24	actinide	actinide	NOUN
6969z031p2d	20	25	and	and	CCONJ
6969z031p2d	20	26	water	water	NOUN
6969z031p2d	20	27	's	's	PART
6969z031p2d	20	28	oxygen	oxygen	NOUN
6969z031p2d	20	29	atoms	atom	NOUN
6969z031p2d	20	30	for	for	ADP
6969z031p2d	20	31	+1	+1	NOUN
6969z031p2d	20	32	actinyl	actinyl	PROPN
6969z031p2d	20	33	ions	ion	NOUN
6969z031p2d	20	34	matter	matter	ADV
6969z031p2d	20	35	.	.	PUNCT
6969z031p2d	21	1	obtained	obtain	VERB
6969z031p2d	21	2	results	result	NOUN
6969z031p2d	21	3	are	be	AUX
6969z031p2d	21	4	in	in	ADP
6969z031p2d	21	5	good	good	ADJ
6969z031p2d	21	6	agreement	agreement	NOUN
6969z031p2d	21	7	with	with	ADP
6969z031p2d	21	8	the	the	DET
6969z031p2d	21	9	available	available	ADJ
6969z031p2d	21	10	literature	literature	NOUN
6969z031p2d	21	11	.	.	PUNCT
6969z031p2d	22	1	further	far	ADV
6969z031p2d	22	2	,	,	PUNCT
6969z031p2d	22	3	the	the	DET
6969z031p2d	22	4	interactions	interaction	NOUN
6969z031p2d	22	5	between	between	ADP
6969z031p2d	22	6	actinyl	actinyl	PROPN
6969z031p2d	22	7	ions	ion	NOUN
6969z031p2d	22	8	and	and	CCONJ
6969z031p2d	22	9	several	several	ADJ
6969z031p2d	22	10	ligands	ligand	NOUN
6969z031p2d	22	11	commonly	commonly	ADV
6969z031p2d	22	12	found	find	VERB
6969z031p2d	22	13	in	in	ADP
6969z031p2d	22	14	aqueous	aqueous	ADJ
6969z031p2d	22	15	phase	phase	NOUN
6969z031p2d	22	16	$	$	SYM
6969z031p2d	22	17	viz.$	viz.$	PROPN
6969z031p2d	22	18	na$^{+}$	na$^{+}$	PROPN
6969z031p2d	22	19	,	,	PUNCT
6969z031p2d	22	20	cl$^{-}$	cl$^{-}$	PROPN
6969z031p2d	22	21	,	,	PUNCT
6969z031p2d	22	22	oh$^{-}$	oh$^{-}$	PROPN
6969z031p2d	22	23	,	,	PUNCT
6969z031p2d	22	24	f$^{-}$	f$^{-}$	PROPN
6969z031p2d	22	25	,	,	PUNCT
6969z031p2d	22	26	no$_{3}^{-}$	no$_{3}^{-}$	PROPN
6969z031p2d	22	27	,	,	PUNCT
6969z031p2d	22	28	co$_{3}^{2-}$	co$_{3}^{2-}$	PROPN
6969z031p2d	22	29	,	,	PUNCT
6969z031p2d	22	30	and	and	CCONJ
6969z031p2d	22	31	so$_{4}^{2-}$	so$_{4}^{2-}$	NOUN
6969z031p2d	22	32	were	be	AUX
6969z031p2d	22	33	studied	study	VERB
6969z031p2d	22	34	.	.	PUNCT
6969z031p2d	23	1	potential	potential	NOUN
6969z031p2d	23	2	of	of	ADP
6969z031p2d	23	3	mean	mean	ADJ
6969z031p2d	23	4	force	force	NOUN
6969z031p2d	23	5	and	and	CCONJ
6969z031p2d	23	6	stability	stability	NOUN
6969z031p2d	23	7	constants	constant	NOUN
6969z031p2d	23	8	were	be	AUX
6969z031p2d	23	9	obtained	obtain	VERB
6969z031p2d	23	10	for	for	ADP
6969z031p2d	23	11	the	the	DET
6969z031p2d	23	12	interactions	interaction	NOUN
6969z031p2d	23	13	.	.	PUNCT
6969z031p2d	24	1	trends	trend	NOUN
6969z031p2d	24	2	and	and	CCONJ
6969z031p2d	24	3	values	value	NOUN
6969z031p2d	24	4	of	of	ADP
6969z031p2d	24	5	stability	stability	NOUN
6969z031p2d	24	6	constants	constant	NOUN
6969z031p2d	24	7	match	match	NOUN
6969z031p2d	24	8	reasonably	reasonably	ADV
6969z031p2d	24	9	well	well	ADV
6969z031p2d	24	10	with	with	ADP
6969z031p2d	24	11	the	the	DET
6969z031p2d	24	12	experimental	experimental	ADJ
6969z031p2d	24	13	results	result	NOUN
6969z031p2d	24	14	.	.	PUNCT
6969z031p2d	25	1	further	far	ADV
6969z031p2d	25	2	,	,	PUNCT
6969z031p2d	25	3	spatial	spatial	ADJ
6969z031p2d	25	4	distribution	distribution	NOUN
6969z031p2d	25	5	functions	function	NOUN
6969z031p2d	25	6	were	be	AUX
6969z031p2d	25	7	studied	study	VERB
6969z031p2d	25	8	to	to	PART
6969z031p2d	25	9	identify	identify	VERB
6969z031p2d	25	10	various	various	ADJ
6969z031p2d	25	11	contact	contact	NOUN
6969z031p2d	25	12	ion	ion	NOUN
6969z031p2d	25	13	pairs	pair	NOUN
6969z031p2d	25	14	,	,	PUNCT
6969z031p2d	25	15	solvent	solvent	NOUN
6969z031p2d	25	16	shared	share	VERB
6969z031p2d	25	17	ion	ion	NOUN
6969z031p2d	25	18	pairs	pair	NOUN
6969z031p2d	25	19	and	and	CCONJ
6969z031p2d	25	20	solvent	solvent	NOUN
6969z031p2d	25	21	separated	separate	VERB
6969z031p2d	25	22	ion	ion	NOUN
6969z031p2d	25	23	pairs	pair	NOUN
6969z031p2d	25	24	in	in	ADP
6969z031p2d	25	25	the	the	DET
6969z031p2d	25	26	aqueous	aqueous	ADJ
6969z031p2d	25	27	solution	solution	NOUN
6969z031p2d	25	28	.	.	PUNCT
6969z031p2d	26	1	in	in	ADP
6969z031p2d	26	2	the	the	DET
6969z031p2d	26	3	end	end	NOUN
6969z031p2d	26	4	,	,	PUNCT
6969z031p2d	26	5	we	we	PRON
6969z031p2d	26	6	focused	focus	VERB
6969z031p2d	26	7	on	on	ADP
6969z031p2d	26	8	actinide	actinide	ADJ
6969z031p2d	26	9	nano	nano	NOUN
6969z031p2d	26	10	-	-	PUNCT
6969z031p2d	26	11	scale	scale	NOUN
6969z031p2d	26	12	clusters	cluster	NOUN
6969z031p2d	26	13	which	which	PRON
6969z031p2d	26	14	are	be	AUX
6969z031p2d	26	15	made	make	VERB
6969z031p2d	26	16	by	by	ADP
6969z031p2d	26	17	the	the	DET
6969z031p2d	26	18	self	self	NOUN
6969z031p2d	26	19	-	-	PUNCT
6969z031p2d	26	20	assembly	assembly	NOUN
6969z031p2d	26	21	of	of	ADP
6969z031p2d	26	22	20	20	NUM
6969z031p2d	26	23	-	-	SYM
6969z031p2d	26	24	60	60	NUM
6969z031p2d	26	25	actinyl	actinyl	PROPN
6969z031p2d	26	26	polyhedra	polyhedra	NOUN
6969z031p2d	26	27	.	.	PUNCT
6969z031p2d	27	1	building	building	NOUN
6969z031p2d	27	2	blocks	block	NOUN
6969z031p2d	27	3	for	for	ADP
6969z031p2d	27	4	some	some	PRON
6969z031p2d	27	5	of	of	ADP
6969z031p2d	27	6	the	the	DET
6969z031p2d	27	7	nano	nano	NOUN
6969z031p2d	27	8	-	-	PUNCT
6969z031p2d	27	9	scale	scale	NOUN
6969z031p2d	27	10	clusters	cluster	NOUN
6969z031p2d	27	11	-	-	PUNCT
6969z031p2d	27	12	uranyl	uranyl	ADJ
6969z031p2d	27	13	peroxide	peroxide	NOUN
6969z031p2d	27	14	and	and	CCONJ
6969z031p2d	27	15	uranyl	uranyl	NOUN
6969z031p2d	27	16	phosphite	phosphite	NOUN
6969z031p2d	27	17	were	be	AUX
6969z031p2d	27	18	studied	study	VERB
6969z031p2d	27	19	in	in	ADP
6969z031p2d	27	20	the	the	DET
6969z031p2d	27	21	aqueous	aqueous	ADJ
6969z031p2d	27	22	phase	phase	NOUN
6969z031p2d	27	23	by	by	ADP
6969z031p2d	27	24	first	first	ADJ
6969z031p2d	27	25	developing	develop	VERB
6969z031p2d	27	26	force	force	NOUN
6969z031p2d	27	27	fields	field	NOUN
6969z031p2d	27	28	from	from	ADP
6969z031p2d	27	29	qm	qm	NOUN
6969z031p2d	27	30	methods	method	NOUN
6969z031p2d	27	31	and	and	CCONJ
6969z031p2d	27	32	using	use	VERB
6969z031p2d	27	33	them	they	PRON
6969z031p2d	27	34	in	in	ADP
6969z031p2d	27	35	md	md	PROPN
6969z031p2d	27	36	simulations	simulation	NOUN
6969z031p2d	27	37	.	.	PUNCT
6969z031p2d	28	1	predicted	predict	VERB
6969z031p2d	28	2	structural	structural	ADJ
6969z031p2d	28	3	properties	property	NOUN
6969z031p2d	28	4	agree	agree	VERB
6969z031p2d	28	5	well	well	ADV
6969z031p2d	28	6	with	with	ADP
6969z031p2d	28	7	those	those	PRON
6969z031p2d	28	8	from	from	ADP
6969z031p2d	28	9	the	the	DET
6969z031p2d	28	10	experiments	experiment	NOUN
6969z031p2d	28	11	.	.	PUNCT
6969z031p2d	29	1	the	the	DET
6969z031p2d	29	2	force	force	NOUN
6969z031p2d	29	3	field	field	NOUN
6969z031p2d	29	4	parameters	parameter	NOUN
6969z031p2d	29	5	proposed	propose	VERB
6969z031p2d	29	6	for	for	ADP
6969z031p2d	29	7	building	build	VERB
6969z031p2d	29	8	blocks	block	NOUN
6969z031p2d	29	9	of	of	ADP
6969z031p2d	29	10	actinide	actinide	ADJ
6969z031p2d	29	11	nanoclusters	nanocluster	NOUN
6969z031p2d	29	12	paves	pave	VERB
6969z031p2d	29	13	the	the	DET
6969z031p2d	29	14	way	way	NOUN
6969z031p2d	29	15	to	to	PART
6969z031p2d	29	16	simulate	simulate	VERB
6969z031p2d	29	17	the	the	DET
6969z031p2d	29	18	nanoclusters	nanocluster	NOUN
6969z031p2d	29	19	.	.	PUNCT
6969z031p2d	30	1	the	the	DET
6969z031p2d	30	2	large	large	ADJ
6969z031p2d	30	3	nanoclusters	nanocluster	NOUN
6969z031p2d	30	4	could	could	AUX
6969z031p2d	30	5	be	be	AUX
6969z031p2d	30	6	simply	simply	ADV
6969z031p2d	30	7	filtered	filter	VERB
6969z031p2d	30	8	out	out	ADP
6969z031p2d	30	9	,	,	PUNCT
6969z031p2d	30	10	thus	thus	ADV
6969z031p2d	30	11	have	have	VERB
6969z031p2d	30	12	the	the	DET
6969z031p2d	30	13	potential	potential	NOUN
6969z031p2d	30	14	to	to	PART
6969z031p2d	30	15	be	be	AUX
6969z031p2d	30	16	very	very	ADV
6969z031p2d	30	17	useful	useful	ADJ
6969z031p2d	30	18	in	in	ADP
6969z031p2d	30	19	nuclear	nuclear	ADJ
6969z031p2d	30	20	waste	waste	NOUN
6969z031p2d	30	21	separation	separation	NOUN
6969z031p2d	30	22	.	.	PUNCT
6969z031p2d	31	1	the	the	DET
6969z031p2d	31	2	study	study	NOUN
6969z031p2d	31	3	of	of	ADP
6969z031p2d	31	4	actinide	actinide	ADJ
6969z031p2d	31	5	systems	system	NOUN
6969z031p2d	31	6	in	in	ADP
6969z031p2d	31	7	this	this	DET
6969z031p2d	31	8	work	work	NOUN
6969z031p2d	31	9	are	be	AUX
6969z031p2d	31	10	helpful	helpful	ADJ
6969z031p2d	31	11	in	in	ADP
6969z031p2d	31	12	characterization	characterization	NOUN
6969z031p2d	31	13	and	and	CCONJ
6969z031p2d	31	14	understanding	understanding	NOUN
6969z031p2d	31	15	of	of	ADP
6969z031p2d	31	16	the	the	DET
6969z031p2d	31	17	physio	physio	ADJ
6969z031p2d	31	18	-	-	PUNCT
6969z031p2d	31	19	chemical	chemical	NOUN
6969z031p2d	31	20	behavior	behavior	NOUN
6969z031p2d	31	21	of	of	ADP
6969z031p2d	31	22	actinides	actinide	NOUN
6969z031p2d	31	23	at	at	ADP
6969z031p2d	31	24	the	the	DET
6969z031p2d	31	25	molecular	molecular	ADJ
6969z031p2d	31	26	level	level	NOUN
6969z031p2d	31	27	.	.	PUNCT
6969z031p2d	32	1	such	such	DET
6969z031p2d	32	2	an	an	DET
6969z031p2d	32	3	understanding	understanding	NOUN
6969z031p2d	32	4	is	be	AUX
6969z031p2d	32	5	very	very	ADV
6969z031p2d	32	6	fundamental	fundamental	ADJ
6969z031p2d	32	7	and	and	CCONJ
6969z031p2d	32	8	instrumental	instrumental	ADJ
6969z031p2d	32	9	in	in	ADP
6969z031p2d	32	10	designing	design	VERB
6969z031p2d	32	11	new	new	ADJ
6969z031p2d	32	12	experiments	experiment	NOUN
6969z031p2d	32	13	,	,	PUNCT
6969z031p2d	32	14	in	in	ADP
6969z031p2d	32	15	meeting	meet	VERB
6969z031p2d	32	16	the	the	DET
6969z031p2d	32	17	specific	specific	ADJ
6969z031p2d	32	18	design	design	NOUN
6969z031p2d	32	19	goals	goal	NOUN
6969z031p2d	32	20	,	,	PUNCT
6969z031p2d	32	21	and	and	CCONJ
6969z031p2d	32	22	in	in	ADP
6969z031p2d	32	23	building	build	VERB
6969z031p2d	32	24	the	the	DET
6969z031p2d	32	25	scientific	scientific	ADJ
6969z031p2d	32	26	basis	basis	NOUN
6969z031p2d	32	27	of	of	ADP
6969z031p2d	32	28	advanced	advanced	ADJ
6969z031p2d	32	29	nuclear	nuclear	ADJ
6969z031p2d	32	30	systems	system	NOUN
6969z031p2d	32	31	.	.	PUNCT
6969z031p2d	33	1	finally	finally	ADV
6969z031p2d	33	2	,	,	PUNCT
6969z031p2d	33	3	the	the	DET
6969z031p2d	33	4	computational	computational	ADJ
6969z031p2d	33	5	methodologies	methodology	NOUN
6969z031p2d	33	6	used	use	VERB
6969z031p2d	33	7	and	and	CCONJ
6969z031p2d	33	8	developed	develop	VERB
6969z031p2d	33	9	in	in	ADP
6969z031p2d	33	10	this	this	DET
6969z031p2d	33	11	work	work	NOUN
6969z031p2d	33	12	can	can	AUX
6969z031p2d	33	13	be	be	AUX
6969z031p2d	33	14	extended	extend	VERB
6969z031p2d	33	15	to	to	ADP
6969z031p2d	33	16	other	other	ADJ
6969z031p2d	33	17	systems	system	NOUN
6969z031p2d	33	18	as	as	ADV
6969z031p2d	33	19	well	well	ADV
6969z031p2d	33	20	.	.	PUNCT